smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)cc(OC)c1O)CCO2 ZINC000897999847 735301779 /nfs/dbraw/zinc/30/17/79/735301779.db2.gz UREGGTCSCDIMFH-QZTJIDSGSA-N 1 0 371.861 2.846 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000898725699 735400604 /nfs/dbraw/zinc/40/06/04/735400604.db2.gz VMEKYASKVOBXOR-GFCCVEGCSA-N 1 0 366.259 2.855 20 10 FFCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000092303912 728466353 /nfs/dbraw/zinc/46/63/53/728466353.db2.gz MYOYBGWOMCMFBZ-INIZCTEOSA-N 1 0 368.543 2.766 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)cc1 ZINC000093320822 728475199 /nfs/dbraw/zinc/47/51/99/728475199.db2.gz NIBLBHZLWSCLSM-UHFFFAOYSA-N 1 0 367.559 2.779 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093770054 728477710 /nfs/dbraw/zinc/47/77/10/728477710.db2.gz IQYNSTKUOYWZFW-GFCCVEGCSA-N 1 0 357.292 2.937 20 10 FFCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000109075892 728524151 /nfs/dbraw/zinc/52/41/51/728524151.db2.gz QWYXIITUANAGQQ-CQSZACIVSA-N 1 0 352.450 2.872 20 10 FFCDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000121243606 728622817 /nfs/dbraw/zinc/62/28/17/728622817.db2.gz XJBHFEVCOLAXFU-MRXNPFEDSA-N 1 0 353.532 2.657 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)cc1F ZINC000125020328 728677595 /nfs/dbraw/zinc/67/75/95/728677595.db2.gz UUJKZTSBSXOKIL-UHFFFAOYSA-N 1 0 350.482 2.811 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000130053745 728714775 /nfs/dbraw/zinc/71/47/75/728714775.db2.gz PLTMZCLHZDRSPA-UHFFFAOYSA-N 1 0 372.259 2.748 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000132239153 728724032 /nfs/dbraw/zinc/72/40/32/728724032.db2.gz MCRSONCIELYLFJ-GFCCVEGCSA-N 1 0 371.553 2.884 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)c2ccco2)c1O ZINC000174530180 729073660 /nfs/dbraw/zinc/07/36/60/729073660.db2.gz XAWSDJQZKVXRBU-OAHLLOKOSA-N 1 0 356.216 2.754 20 10 FFCDRO COCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000778913804 738420645 /nfs/dbraw/zinc/42/06/45/738420645.db2.gz FRNCZANZPWZHFO-HNNXBMFYSA-N 1 0 352.862 2.553 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000182408864 729277098 /nfs/dbraw/zinc/27/70/98/729277098.db2.gz XTWDKFSBJQCEBW-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000182495202 729280153 /nfs/dbraw/zinc/28/01/53/729280153.db2.gz AJOOHEFDWYRDQC-ZWKOTPCHSA-N 1 0 368.568 2.685 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000194944506 729525645 /nfs/dbraw/zinc/52/56/45/729525645.db2.gz VRNOSZSWHOVKNH-SNVBAGLBSA-N 1 0 350.260 2.934 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000779022039 738430063 /nfs/dbraw/zinc/43/00/63/738430063.db2.gz KCHOWRUNNLBPJJ-CHWSQXEVSA-N 1 0 357.292 2.834 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)c1O ZINC000857061552 730376874 /nfs/dbraw/zinc/37/68/74/730376874.db2.gz BFICOFNYIGSFCD-QGZVFWFLSA-N 1 0 365.861 2.733 20 10 FFCDRO C[C@@H]1CN(CCC[NH2+]Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000858090635 730416282 /nfs/dbraw/zinc/41/62/82/730416282.db2.gz PHIRRFKJQIOSCB-CHWSQXEVSA-N 1 0 357.292 2.744 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)[C@]12CCCO2 ZINC000858156510 730418116 /nfs/dbraw/zinc/41/81/16/730418116.db2.gz JPHYLVQDMLKNJE-BZUAXINKSA-N 1 0 356.260 2.971 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H]1n1cccn1 ZINC000858171119 730418664 /nfs/dbraw/zinc/41/86/64/730418664.db2.gz UPAWGCWLOJMZBR-JQHSSLGASA-N 1 0 350.413 2.736 20 10 FFCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000858185220 730419073 /nfs/dbraw/zinc/41/90/73/730419073.db2.gz AJSZIBWFUUYQJQ-RWMBFGLXSA-N 1 0 357.292 2.742 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCN3CC(F)F)CC2)cc1 ZINC000858230978 730420379 /nfs/dbraw/zinc/42/03/79/730420379.db2.gz HVMKIQAMCJNYEM-KRWDZBQOSA-N 1 0 353.457 2.983 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1 ZINC000859886823 730468574 /nfs/dbraw/zinc/46/85/74/730468574.db2.gz SVNGPCSJQNMNSB-OHUGHZGNSA-N 1 0 362.539 2.787 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925328437 738497168 /nfs/dbraw/zinc/49/71/68/738497168.db2.gz XWQJCVUGSTYALY-SMDDNHRTSA-N 1 0 370.291 2.779 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925328435 738497292 /nfs/dbraw/zinc/49/72/92/738497292.db2.gz XWQJCVUGSTYALY-FZMZJTMJSA-N 1 0 370.291 2.779 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)ccc1O ZINC000866492484 731066596 /nfs/dbraw/zinc/06/65/96/731066596.db2.gz HPVSOYXHAHEATJ-SGIREYDYSA-N 1 0 354.422 2.552 20 10 FFCDRO CC[C@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1O ZINC000866631831 731081704 /nfs/dbraw/zinc/08/17/04/731081704.db2.gz SCDCNJMCXGBFSU-LBPRGKRZSA-N 1 0 371.222 2.971 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2c(I)cnn2C)c1 ZINC000866632495 731082144 /nfs/dbraw/zinc/08/21/44/731082144.db2.gz ZXWPOXDUBWIKDH-SNVBAGLBSA-N 1 0 371.222 2.890 20 10 FFCDRO CC(C)[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(N(C)C)cc1 ZINC000876584476 732259313 /nfs/dbraw/zinc/25/93/13/732259313.db2.gz IALXSVUINCDQDU-UHFFFAOYSA-N 1 0 367.540 2.872 20 10 FFCDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000876663210 732266869 /nfs/dbraw/zinc/26/68/69/732266869.db2.gz YAOCZCLBCDRSOT-DZGCQCFKSA-N 1 0 365.524 2.674 20 10 FFCDRO Cc1cc(C(=O)NCC2([NH3+])CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000877014179 732311853 /nfs/dbraw/zinc/31/18/53/732311853.db2.gz POHCXLLNXXBSTK-UHFFFAOYSA-N 1 0 361.873 2.985 20 10 FFCDRO Cc1nnsc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033874 732315031 /nfs/dbraw/zinc/31/50/31/732315031.db2.gz QMXZAAQJLWAEJE-AWEZNQCLSA-N 1 0 352.891 2.960 20 10 FFCDRO Cc1ccc(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000877593725 732394606 /nfs/dbraw/zinc/39/46/06/732394606.db2.gz GAEPKRYHGYGQDD-UHFFFAOYSA-N 1 0 350.459 2.552 20 10 FFCDRO O=C(NCC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1)C(F)(F)F ZINC000877778858 732428890 /nfs/dbraw/zinc/42/88/90/732428890.db2.gz VJSUOMDWWZFEAS-UHFFFAOYSA-N 1 0 355.404 2.787 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926949781 738672329 /nfs/dbraw/zinc/67/23/29/738672329.db2.gz QETICASYVPPQQW-WJNVRWDZSA-N 1 0 356.260 2.918 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)ccc1OC ZINC000883365531 733374139 /nfs/dbraw/zinc/37/41/39/733374139.db2.gz CFZLVCHQYVAPRX-CYBMUJFWSA-N 1 0 357.319 2.880 20 10 FFCDRO C[NH2+]CCOc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000884138261 733485352 /nfs/dbraw/zinc/48/53/52/733485352.db2.gz IXKBELYQVYMVOD-UHFFFAOYSA-N 1 0 351.497 2.654 20 10 FFCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000782561318 738734254 /nfs/dbraw/zinc/73/42/54/738734254.db2.gz QXRVIURGQWHGKP-UHFFFAOYSA-N 1 0 362.543 2.523 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)C1 ZINC000885936002 733731299 /nfs/dbraw/zinc/73/12/99/733731299.db2.gz YSEZAMRTGYYCMI-HNNXBMFYSA-N 1 0 358.873 2.727 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000886750941 733825136 /nfs/dbraw/zinc/82/51/36/733825136.db2.gz CSKWMKAWICGKJW-UHFFFAOYSA-N 1 0 351.441 2.566 20 10 FFCDRO CN(C)c1ccc(-c2nc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)cs2)cc1 ZINC000887380281 733917799 /nfs/dbraw/zinc/91/77/99/733917799.db2.gz XOAWYXUCBJUDIL-AWEZNQCLSA-N 1 0 354.483 2.887 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cn2)[NH+](C)C)cc1 ZINC000891246499 734403962 /nfs/dbraw/zinc/40/39/62/734403962.db2.gz OJRDNXLXEQAZLB-SFHVURJKSA-N 1 0 360.889 2.763 20 10 FFCDRO Cc1nc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891253506 734405393 /nfs/dbraw/zinc/40/53/93/734405393.db2.gz UANVKDJZMGHSEX-GOSISDBHSA-N 1 0 360.527 2.869 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)c(O)c1OC ZINC000892120068 734517360 /nfs/dbraw/zinc/51/73/60/734517360.db2.gz DSGXUFNTJBJIHU-UHFFFAOYSA-N 1 0 363.483 2.805 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC(F)(F)C(F)(F)F)cc2)CC1 ZINC000893608443 734726045 /nfs/dbraw/zinc/72/60/45/734726045.db2.gz URYOSXWXWXIBHW-UHFFFAOYSA-N 1 0 365.346 2.642 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(O)c1OC ZINC000893626886 734728547 /nfs/dbraw/zinc/72/85/47/734728547.db2.gz LQCPXCWOGHRAHY-CQSZACIVSA-N 1 0 351.443 2.963 20 10 FFCDRO O=C(NCc1ccccc1O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732702593 734758249 /nfs/dbraw/zinc/75/82/49/734758249.db2.gz YGBSSQXCAKMYSJ-UHFFFAOYSA-N 1 0 363.527 2.943 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CCSCC3)cc2F)CC1 ZINC000732936898 734777770 /nfs/dbraw/zinc/77/77/70/734777770.db2.gz XDTUVYXQAADEFI-UHFFFAOYSA-N 1 0 365.518 2.727 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](OC)C(F)(F)F)c1O ZINC000733330197 734809426 /nfs/dbraw/zinc/80/94/26/734809426.db2.gz RTKQCTGRAZUEKE-SNVBAGLBSA-N 1 0 358.154 2.830 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1C ZINC000733330627 734809691 /nfs/dbraw/zinc/80/96/91/734809691.db2.gz FPHZIIZANXMWRR-UHFFFAOYSA-N 1 0 358.507 2.828 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@](C)(O)C(F)(F)F)c2cc(F)ccc2n1C ZINC000894361253 734845536 /nfs/dbraw/zinc/84/55/36/734845536.db2.gz FZHUQYVCBQDZCI-HNNXBMFYSA-N 1 0 362.323 2.507 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1O ZINC000896275623 735130406 /nfs/dbraw/zinc/13/04/06/735130406.db2.gz BRWLWZSTYKYKHC-UHFFFAOYSA-N 1 0 362.495 2.636 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000896978389 735190548 /nfs/dbraw/zinc/19/05/48/735190548.db2.gz OZKWRAKCQUNMND-LJQANCHMSA-N 1 0 350.459 2.552 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000897260463 735211786 /nfs/dbraw/zinc/21/17/86/735211786.db2.gz CCSVEWAQBIBETR-OAHLLOKOSA-N 1 0 370.287 2.969 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756410149 736328907 /nfs/dbraw/zinc/32/89/07/736328907.db2.gz DMBJVKIEDDXQSE-OAHLLOKOSA-N 1 0 354.516 2.864 20 10 FFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756854426 736367304 /nfs/dbraw/zinc/36/73/04/736367304.db2.gz FCOYBZOTRBNWBC-SNPRPXQTSA-N 1 0 352.450 2.847 20 10 FFCDRO CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000757945885 736437915 /nfs/dbraw/zinc/43/79/15/736437915.db2.gz JIFAYDAONLTHGP-UHFFFAOYSA-N 1 0 359.308 2.911 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000766035702 737185618 /nfs/dbraw/zinc/18/56/18/737185618.db2.gz MYGQUJDTAVCVFL-CYBMUJFWSA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767712817 737358940 /nfs/dbraw/zinc/35/89/40/737358940.db2.gz QMBCAGVVMXYJMG-GFCCVEGCSA-N 1 0 355.356 2.759 20 10 FFCDRO C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077273 737395978 /nfs/dbraw/zinc/39/59/78/737395978.db2.gz GIARLXKCUPAHIZ-COXVUDFISA-N 1 0 366.889 2.799 20 10 FFCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000768197518 737406303 /nfs/dbraw/zinc/40/63/03/737406303.db2.gz JROYDMAXAHWYRG-ZDUSSCGKSA-N 1 0 364.467 2.631 20 10 FFCDRO CC[C@H](C)NC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768297196 737412604 /nfs/dbraw/zinc/41/26/04/737412604.db2.gz UBPNVYQSKOZPGD-INIZCTEOSA-N 1 0 360.571 2.981 20 10 FFCDRO COc1cc(Br)cc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000769410791 737525759 /nfs/dbraw/zinc/52/57/59/737525759.db2.gz DXCANGMTVDGECT-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769427051 737528217 /nfs/dbraw/zinc/52/82/17/737528217.db2.gz FSFAIUUDVFGUAA-SFHVURJKSA-N 1 0 360.479 2.573 20 10 FFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000769428943 737529187 /nfs/dbraw/zinc/52/91/87/737529187.db2.gz XEQQHFVUHPOZKC-ZDUSSCGKSA-N 1 0 354.244 2.930 20 10 FFCDRO O[C@H]([C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000775135614 738064461 /nfs/dbraw/zinc/06/44/61/738064461.db2.gz CCBBZIBQTVYMGS-NVXWUHKLSA-N 1 0 358.404 2.658 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776520158 738202436 /nfs/dbraw/zinc/20/24/36/738202436.db2.gz IMLLCTJTPFIFAG-MRXNPFEDSA-N 1 0 374.275 2.645 20 10 FFCDRO COC(=O)c1cnc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000922832102 738206627 /nfs/dbraw/zinc/20/66/27/738206627.db2.gz CJSXXVHLZFLFLO-UHFFFAOYSA-N 1 0 355.410 2.606 20 10 FFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000776870501 738240188 /nfs/dbraw/zinc/24/01/88/738240188.db2.gz VHPBQPFWBFPFON-DJSGYFEHSA-N 1 0 374.275 2.626 20 10 FFCDRO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000786944695 739091444 /nfs/dbraw/zinc/09/14/44/739091444.db2.gz GXECNXDWAHOTCN-ZDUSSCGKSA-N 1 0 362.289 2.630 20 10 FFCDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1 ZINC000788626733 739265187 /nfs/dbraw/zinc/26/51/87/739265187.db2.gz KGIYUAOOANYIQN-UHFFFAOYSA-N 1 0 371.553 2.665 20 10 FFCDRO COc1c[nH+]ccc1N1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000793369161 739774642 /nfs/dbraw/zinc/77/46/42/739774642.db2.gz CZWVUTXUGTWMDE-UHFFFAOYSA-N 1 0 363.845 2.780 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)cc1OC ZINC000793607006 739799309 /nfs/dbraw/zinc/79/93/09/739799309.db2.gz YEPZNZPHMOKPRG-GFCCVEGCSA-N 1 0 354.447 2.802 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000796377530 740138213 /nfs/dbraw/zinc/13/82/13/740138213.db2.gz MIMSEWPCTLYQNQ-MLGOLLRUSA-N 1 0 352.862 2.543 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000797112438 740213159 /nfs/dbraw/zinc/21/31/59/740213159.db2.gz QBKOIQGKCGHHGL-HZMBPMFUSA-N 1 0 352.784 2.959 20 10 FFCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000797903897 740285527 /nfs/dbraw/zinc/28/55/27/740285527.db2.gz IGAJQMLBVYXNGE-VWLOTQADSA-N 1 0 365.499 2.976 20 10 FFCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000799727472 740445516 /nfs/dbraw/zinc/44/55/16/740445516.db2.gz LFKCXZKKJOQPML-ZAMGYDSWSA-N 1 0 356.919 2.738 20 10 FFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)oc1C ZINC000800478758 740527626 /nfs/dbraw/zinc/52/76/26/740527626.db2.gz QVQUTVHGQMZKGT-OAHLLOKOSA-N 1 0 362.495 2.982 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000800894678 740561671 /nfs/dbraw/zinc/56/16/71/740561671.db2.gz GJJXOADLSBRMEH-UHFFFAOYSA-N 1 0 372.849 2.561 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3ccsc3)CC2)cc1 ZINC000801569094 740632637 /nfs/dbraw/zinc/63/26/37/740632637.db2.gz BNNDUYYPUVWWRJ-OAHLLOKOSA-N 1 0 359.495 2.756 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805224827 740951019 /nfs/dbraw/zinc/95/10/19/740951019.db2.gz YXSXWBOOUMHPRF-KBPBESRZSA-N 1 0 370.291 2.827 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cc(Br)ccc1O ZINC000806954957 741098070 /nfs/dbraw/zinc/09/80/70/741098070.db2.gz IRKBEFFXEWJJHV-CQSZACIVSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000806959291 741098300 /nfs/dbraw/zinc/09/83/00/741098300.db2.gz SWIAZEFVQZOCKO-KBPBESRZSA-N 1 0 354.545 2.894 20 10 FFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806961441 741098505 /nfs/dbraw/zinc/09/85/05/741098505.db2.gz QPTVJVHFCNZGQG-UONOGXRCSA-N 1 0 354.545 2.894 20 10 FFCDRO COc1cc(C[N@H+](C)CCn2cc(Br)cn2)c(O)cc1C ZINC000808243395 741202543 /nfs/dbraw/zinc/20/25/43/741202543.db2.gz IPDVQYMVSMTFLO-UHFFFAOYSA-N 1 0 354.248 2.800 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000808706431 741254509 /nfs/dbraw/zinc/25/45/09/741254509.db2.gz JZJBOUQQZZGZSP-MLGOLLRUSA-N 1 0 352.862 2.785 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000809792750 741344129 /nfs/dbraw/zinc/34/41/29/741344129.db2.gz FSHVSWKTESYMFT-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810223889 741399479 /nfs/dbraw/zinc/39/94/79/741399479.db2.gz BQNYVTZLZLDZBA-ZDUSSCGKSA-N 1 0 368.421 2.780 20 10 FFCDRO CO[C@@](C)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000812535860 741630487 /nfs/dbraw/zinc/63/04/87/741630487.db2.gz ISIDRFKJTPSUAA-QFBILLFUSA-N 1 0 366.889 2.941 20 10 FFCDRO CCOCC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120889 742339671 /nfs/dbraw/zinc/33/96/71/742339671.db2.gz ROUSANLYLRFPFQ-ZBFHGGJFSA-N 1 0 358.429 2.634 20 10 FFCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2Cl)C1 ZINC000819291050 742369268 /nfs/dbraw/zinc/36/92/68/742369268.db2.gz PZQZJIJPBNBAKM-RDJZCZTQSA-N 1 0 362.905 2.924 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000819525761 742402136 /nfs/dbraw/zinc/40/21/36/742402136.db2.gz QIJSLMZUHBSCRX-IBGZPJMESA-N 1 0 361.511 2.684 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000824161178 743029607 /nfs/dbraw/zinc/02/96/07/743029607.db2.gz KVQSYYNDYBSDLR-LJQANCHMSA-N 1 0 357.523 2.901 20 10 FFCDRO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824571099 743108533 /nfs/dbraw/zinc/10/85/33/743108533.db2.gz ISMGEVCBOANYTH-LLVKDONJSA-N 1 0 362.829 2.502 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000825142737 743218196 /nfs/dbraw/zinc/21/81/96/743218196.db2.gz BNCJNBSELXZZID-CQSZACIVSA-N 1 0 370.218 2.823 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825757891 743323601 /nfs/dbraw/zinc/32/36/01/743323601.db2.gz XYYOAKBAXMVQSL-UHFFFAOYSA-N 1 0 362.857 2.811 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000826539471 743393111 /nfs/dbraw/zinc/39/31/11/743393111.db2.gz ULDCSUCEYMMBEO-MRXNPFEDSA-N 1 0 369.303 2.841 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000826866475 743458826 /nfs/dbraw/zinc/45/88/26/743458826.db2.gz BFBJXPJFSPLCEB-HXUWFJFHSA-N 1 0 374.222 2.864 20 10 FFCDRO C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[NH+]1CCCCC1 ZINC000827473901 743584791 /nfs/dbraw/zinc/58/47/91/743584791.db2.gz MFFGKOPOYHVFBX-AWEZNQCLSA-N 1 0 358.511 2.920 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000827741742 744969120 /nfs/dbraw/zinc/96/91/20/744969120.db2.gz ZZTXITJERRRGBS-UHFFFAOYSA-N 1 0 355.232 2.571 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657531 745399022 /nfs/dbraw/zinc/39/90/22/745399022.db2.gz JAHLTLWZUZCAFG-ACJLOTCBSA-N 1 0 355.429 2.891 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000830798854 745432090 /nfs/dbraw/zinc/43/20/90/745432090.db2.gz RYIZAFYZFHCVIL-KGLIPLIRSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1ccc(N(CC2CC2)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000831588383 745550480 /nfs/dbraw/zinc/55/04/80/745550480.db2.gz ZBANJFVUMJAGQB-INIZCTEOSA-N 1 0 352.500 2.583 20 10 FFCDRO CCO[C@@H](C)c1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832272983 745669609 /nfs/dbraw/zinc/66/96/09/745669609.db2.gz KYIQGRMVAGMDJT-SWLSCSKDSA-N 1 0 362.499 2.736 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000832293201 745673676 /nfs/dbraw/zinc/67/36/76/745673676.db2.gz RGAVOPCQSGSXQS-AEFFLSMTSA-N 1 0 359.857 2.526 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2coc(Br)c2)cc1 ZINC000832293350 745673683 /nfs/dbraw/zinc/67/36/83/745673683.db2.gz VJCVIILIWQFRNP-ZDUSSCGKSA-N 1 0 352.232 2.538 20 10 FFCDRO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300226 745674802 /nfs/dbraw/zinc/67/48/02/745674802.db2.gz PBLNCERDPQGTRG-GUYCJALGSA-N 1 0 361.873 2.990 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834850435 745913784 /nfs/dbraw/zinc/91/37/84/745913784.db2.gz MLDGNUCGVGNRPR-JSGCOSHPSA-N 1 0 357.292 2.652 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000834850615 745913927 /nfs/dbraw/zinc/91/39/27/745913927.db2.gz OCKLJTCIKUADRO-UKRRQHHQSA-N 1 0 371.319 2.961 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000835040714 745937747 /nfs/dbraw/zinc/93/77/47/745937747.db2.gz FUNMFZIPXXCEJM-IMMZDGJCSA-N 1 0 355.404 2.909 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCCC3(C)OCCO3)CC2)cc1F ZINC000838867597 746725519 /nfs/dbraw/zinc/72/55/19/746725519.db2.gz ATRYREVSGFZROQ-UHFFFAOYSA-N 1 0 352.450 2.890 20 10 FFCDRO Brc1cc(C[NH2+]CCn2cncn2)ccc1N1CCCCC1 ZINC000838912313 746736207 /nfs/dbraw/zinc/73/62/07/746736207.db2.gz GEJPHOFFTACDJY-UHFFFAOYSA-N 1 0 364.291 2.821 20 10 FFCDRO Fc1cc(CNC2CC[NH+](C3CC3)CC2)cc(F)c1N1CCOCC1 ZINC000839143706 746787006 /nfs/dbraw/zinc/78/70/06/746787006.db2.gz BGBLPRRXIGJYPR-UHFFFAOYSA-N 1 0 351.441 2.518 20 10 FFCDRO CC[C@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000839191666 746798894 /nfs/dbraw/zinc/79/88/94/746798894.db2.gz CIJZEBDAJAHCNN-ZDUSSCGKSA-N 1 0 360.376 2.747 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(Cl)c1 ZINC000840872688 747208672 /nfs/dbraw/zinc/20/86/72/747208672.db2.gz MKFZFBQBGPQJGS-UHFFFAOYSA-N 1 0 365.861 2.698 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000840942534 747237114 /nfs/dbraw/zinc/23/71/14/747237114.db2.gz CMRGYVSTVQVISE-UHFFFAOYSA-N 1 0 357.420 2.952 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC000840947454 747238473 /nfs/dbraw/zinc/23/84/73/747238473.db2.gz UFQLXCKPBVIEIN-AWEZNQCLSA-N 1 0 352.784 2.707 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@H]1[NH3+] ZINC000841707086 747436891 /nfs/dbraw/zinc/43/68/91/747436891.db2.gz NETZHRPPSIIQHA-FUHWJXTLSA-N 1 0 362.543 2.509 20 10 FFCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707285 747437539 /nfs/dbraw/zinc/43/75/39/747437539.db2.gz PAIFGPLCTCJPNF-WMZOPIPTSA-N 1 0 362.543 2.557 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000842207737 747547719 /nfs/dbraw/zinc/54/77/19/747547719.db2.gz UOEOMXOKFQDOGR-LBPRGKRZSA-N 1 0 367.902 2.904 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000842785527 747687179 /nfs/dbraw/zinc/68/71/79/747687179.db2.gz SWXQLRBNKFCBLC-KRWDZBQOSA-N 1 0 367.902 2.693 20 10 FFCDRO CC(C)c1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842785623 747687484 /nfs/dbraw/zinc/68/74/84/747687484.db2.gz JMGVREUPDALGQH-IBGZPJMESA-N 1 0 361.511 2.854 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1O ZINC000842882566 747713081 /nfs/dbraw/zinc/71/30/81/747713081.db2.gz HFJNERNJDOYEQF-AAEUAGOBSA-N 1 0 367.854 2.931 20 10 FFCDRO C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C1CC([NH3+])C1 ZINC000843125590 747777805 /nfs/dbraw/zinc/77/78/05/747777805.db2.gz XXAVYRWKGDUNAA-UHFFFAOYSA-N 1 0 364.081 2.839 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000843415716 747831568 /nfs/dbraw/zinc/83/15/68/747831568.db2.gz MUBRGUWAOSVGSI-ZDUSSCGKSA-N 1 0 355.276 2.952 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000845202347 748204201 /nfs/dbraw/zinc/20/42/01/748204201.db2.gz NLBKHFSXTZQRHI-INIZCTEOSA-N 1 0 350.507 2.502 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(Cn3cnnc3)CC2)c1O ZINC000846055670 748393035 /nfs/dbraw/zinc/39/30/35/748393035.db2.gz IKIRSANJJGEYNE-UHFFFAOYSA-N 1 0 365.275 2.967 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1O ZINC000848535939 748953686 /nfs/dbraw/zinc/95/36/86/748953686.db2.gz ICUTWDHVYKNFCA-NSHDSACASA-N 1 0 373.291 2.976 20 10 FFCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848555635 748959422 /nfs/dbraw/zinc/95/94/22/748959422.db2.gz CEDIAHPTDDJULJ-GHMZBOCLSA-N 1 0 371.275 2.682 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848562477 748961593 /nfs/dbraw/zinc/96/15/93/748961593.db2.gz DQFLJXXHPHCEHN-YPMHNXCESA-N 1 0 365.275 2.881 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848565410 748962256 /nfs/dbraw/zinc/96/22/56/748962256.db2.gz WLTVXAYGPGJUAE-CMPLNLGQSA-N 1 0 365.275 2.800 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)c1O ZINC000848893321 749030592 /nfs/dbraw/zinc/03/05/92/749030592.db2.gz BZPRHUCUTUAGQO-UHFFFAOYSA-N 1 0 362.495 2.931 20 10 FFCDRO CCCn1nccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000850322617 749342597 /nfs/dbraw/zinc/34/25/97/749342597.db2.gz AKGRLNXIFHLQCF-UHFFFAOYSA-N 1 0 350.413 2.698 20 10 FFCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCOC1 ZINC000850484261 749371125 /nfs/dbraw/zinc/37/11/25/749371125.db2.gz FXUGHVLAZCZSFL-ZRGWGRIASA-N 1 0 368.905 2.879 20 10 FFCDRO C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505364 749377723 /nfs/dbraw/zinc/37/77/23/749377723.db2.gz BNHPUBBWMNGJCN-CYBMUJFWSA-N 1 0 364.433 2.742 20 10 FFCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000850545297 749385482 /nfs/dbraw/zinc/38/54/82/749385482.db2.gz AFWAJJUCWBLGRD-SECBINFHSA-N 1 0 361.236 2.512 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000852469412 749869171 /nfs/dbraw/zinc/86/91/71/749869171.db2.gz VAVSYNVRAUFBPL-GFCCVEGCSA-N 1 0 370.291 2.827 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)NCC1CC[NH+](CC2CC2)CC1 ZINC000852704488 749928983 /nfs/dbraw/zinc/92/89/83/749928983.db2.gz DIAJTHDAHKWYNG-UHFFFAOYSA-N 1 0 351.878 2.967 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1F ZINC000852865840 749966491 /nfs/dbraw/zinc/96/64/91/749966491.db2.gz ADBIQIILVJDVMO-MRXNPFEDSA-N 1 0 361.383 2.830 20 10 FFCDRO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000853244968 750036880 /nfs/dbraw/zinc/03/68/80/750036880.db2.gz GRRTVHQPKBIBBY-UHFFFAOYSA-N 1 0 359.857 2.562 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000895649718 970806503 /nfs/dbraw/zinc/80/65/03/970806503.db2.gz CDTUEWJCQCPYFY-ROUUACIJSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccncn3)C[C@H]2C)cc1C ZINC001104815127 970904664 /nfs/dbraw/zinc/90/46/64/970904664.db2.gz CMEFMZNAPZYAIB-SJLPKXTDSA-N 1 0 368.481 2.682 20 10 FFCDRO COc1ccc(CN2CC[NH+](CCCOC(C)(C)C)CC2)c(O)c1OC ZINC000896020706 971162117 /nfs/dbraw/zinc/16/21/17/971162117.db2.gz CLDAVJVPSLKMEX-UHFFFAOYSA-N 1 0 366.502 2.732 20 10 FFCDRO COCC(C)(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896287367 971398215 /nfs/dbraw/zinc/39/82/15/971398215.db2.gz MKQUTMZMFGMAJJ-SFHVURJKSA-N 1 0 364.534 2.717 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1OC ZINC000893357328 971808090 /nfs/dbraw/zinc/80/80/90/971808090.db2.gz QWWDAAJFIVRLRV-UHFFFAOYSA-N 1 0 372.469 2.575 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)ccc1N(C)C ZINC001275952673 1013222563 /nfs/dbraw/zinc/22/25/63/1013222563.db2.gz ZMTZZJMSXAZCTE-IBGZPJMESA-N 1 0 351.441 2.893 20 10 FFCDRO C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000825639152 1013304087 /nfs/dbraw/zinc/30/40/87/1013304087.db2.gz LKWUDRVILBOYLZ-CQSZACIVSA-N 1 0 353.470 2.947 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C3CCC3)CC2)cc1 ZINC000728288916 962467392 /nfs/dbraw/zinc/46/73/92/962467392.db2.gz KESRGHOTAVKZAA-HXUWFJFHSA-N 1 0 357.498 2.608 20 10 FFCDRO C/C(=C/c1ccccn1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246161 962565173 /nfs/dbraw/zinc/56/51/73/962565173.db2.gz MRMHNLQTSVSPRH-FZWACIFYSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCOC3)[NH+](C)C)cc1 ZINC000891245447 962565955 /nfs/dbraw/zinc/56/59/55/962565955.db2.gz FDOXFHZLNYWYMD-OAQYLSRUSA-N 1 0 367.493 2.858 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC000891247907 962580776 /nfs/dbraw/zinc/58/07/76/962580776.db2.gz ISZMKMUKMZDYNF-VQANOXKBSA-N 1 0 369.465 2.596 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2coc3c2C(=O)CCC3)[NH+](C)C)cc1 ZINC000891247916 962580938 /nfs/dbraw/zinc/58/09/38/962580938.db2.gz LHTVCSWSQAUPHG-QGZVFWFLSA-N 1 0 369.465 2.897 20 10 FFCDRO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1F ZINC000891249544 962587246 /nfs/dbraw/zinc/58/72/46/962587246.db2.gz UKATVZKJLFNJPC-KRWDZBQOSA-N 1 0 359.445 2.933 20 10 FFCDRO COCc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252180 962599315 /nfs/dbraw/zinc/59/93/15/962599315.db2.gz HXMLXDBRSRMFOM-HXUWFJFHSA-N 1 0 355.482 2.932 20 10 FFCDRO Cc1noc(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253364 962603299 /nfs/dbraw/zinc/60/32/99/962603299.db2.gz RROIIIZBEPWYRQ-ACJLOTCBSA-N 1 0 358.486 2.880 20 10 FFCDRO COC(=O)C1CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873047514 1013363276 /nfs/dbraw/zinc/36/32/76/1013363276.db2.gz VCVVPFDFLMVGAA-UHFFFAOYSA-N 1 0 357.454 2.761 20 10 FFCDRO CCOC(=O)c1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001167422944 963010428 /nfs/dbraw/zinc/01/04/28/963010428.db2.gz HVHUZJRNGSZUPO-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000873191148 1013416920 /nfs/dbraw/zinc/41/69/20/1013416920.db2.gz JWJRRVOVZLSFBV-JOCHJYFZSA-N 1 0 370.493 2.615 20 10 FFCDRO CC[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ccc(F)cc1[O-] ZINC000873242366 1013441416 /nfs/dbraw/zinc/44/14/16/1013441416.db2.gz AREWPPLWRZXPKK-SFHVURJKSA-N 1 0 355.417 2.812 20 10 FFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894298088 964324490 /nfs/dbraw/zinc/32/44/90/964324490.db2.gz GFDBVUXRZWSRIW-PBHICJAKSA-N 1 0 373.449 2.919 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)c1O ZINC000894361366 965008773 /nfs/dbraw/zinc/00/87/73/965008773.db2.gz GXBKZGFCIQJSDP-GOSISDBHSA-N 1 0 354.450 2.990 20 10 FFCDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000101658155 965329592 /nfs/dbraw/zinc/32/95/92/965329592.db2.gz RJWBPNRHUZQMHF-BDXSIMOUSA-N 1 0 359.514 2.962 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)c(O)c1OC ZINC000894440380 965371674 /nfs/dbraw/zinc/37/16/74/965371674.db2.gz UZZDKILBMOCCPJ-HNNXBMFYSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1OC ZINC000894688409 965607174 /nfs/dbraw/zinc/60/71/74/965607174.db2.gz SDFLABWYWPSTIT-UZLBHIALSA-N 1 0 361.413 2.709 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCc2nccnc2C)c2cc(F)ccc2n1C ZINC000894861476 965959913 /nfs/dbraw/zinc/95/99/13/965959913.db2.gz IAKIIKZUJNABJW-UHFFFAOYSA-N 1 0 356.401 2.535 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000729507071 967450375 /nfs/dbraw/zinc/45/03/75/967450375.db2.gz DJICTNJGHMKHRM-YLJYHZDGSA-N 1 0 374.529 2.695 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000725805032 967567751 /nfs/dbraw/zinc/56/77/51/967567751.db2.gz FCGQZOYROVDMQR-OAQYLSRUSA-N 1 0 367.493 2.615 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000892393201 968214660 /nfs/dbraw/zinc/21/46/60/968214660.db2.gz CNQHOUNABVRGMI-LJQANCHMSA-N 1 0 354.498 2.854 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)cc1 ZINC000892494342 969146709 /nfs/dbraw/zinc/14/67/09/969146709.db2.gz BRGBNONKIYPOHD-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(C[NH2+]CCc2cnn(-c3ccccc3)c2)c(O)c1OC ZINC000892544505 969457145 /nfs/dbraw/zinc/45/71/45/969457145.db2.gz MDWHMMSTOIECKU-UHFFFAOYSA-N 1 0 353.422 2.927 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)c(O)c1OC ZINC000893073294 970563594 /nfs/dbraw/zinc/56/35/94/970563594.db2.gz HKRZRXYGYPEBQM-BBRMVZONSA-N 1 0 356.422 2.693 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895393905 970568137 /nfs/dbraw/zinc/56/81/37/970568137.db2.gz JFGLHOAEVGUNTQ-KRWDZBQOSA-N 1 0 358.530 2.872 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000893136401 970671229 /nfs/dbraw/zinc/67/12/29/970671229.db2.gz SXCRTQLCUQSTFT-LJQANCHMSA-N 1 0 356.514 2.936 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895503808 970675638 /nfs/dbraw/zinc/67/56/38/970675638.db2.gz COHCTXBRNHAWDD-OAHLLOKOSA-N 1 0 354.406 2.619 20 10 FFCDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000897302194 974047740 /nfs/dbraw/zinc/04/77/40/974047740.db2.gz GLSMNBKKLKFHIT-HXUWFJFHSA-N 1 0 353.422 2.528 20 10 FFCDRO COc1ccc2c(c1)C[C@@H](C[NH+]1CCN(c3ccc(OC)c(F)c3)CC1)O2 ZINC001168069585 974104550 /nfs/dbraw/zinc/10/45/50/974104550.db2.gz ZCFABVUOVDDBIU-SFHVURJKSA-N 1 0 372.440 2.969 20 10 FFCDRO C[C@H](Cc1ccncc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893451505 974118848 /nfs/dbraw/zinc/11/88/48/974118848.db2.gz HSUGXZLJXRQVBJ-UZLBHIALSA-N 1 0 369.513 2.681 20 10 FFCDRO Cc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C(C)C)n1 ZINC000893607855 975911462 /nfs/dbraw/zinc/91/14/62/975911462.db2.gz LWYPWTJOTFTIQM-UHFFFAOYSA-N 1 0 367.497 2.590 20 10 FFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000876551075 1014299437 /nfs/dbraw/zinc/29/94/37/1014299437.db2.gz JQOHKZZAXYDMII-UHFFFAOYSA-N 1 0 357.454 2.578 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)N(C)C)cc1 ZINC000898448266 976459772 /nfs/dbraw/zinc/45/97/72/976459772.db2.gz RGQUVOINKQJNPR-QRVBRYPASA-N 1 0 365.493 2.579 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc(OC)c1O ZINC000898450244 976461702 /nfs/dbraw/zinc/46/17/02/976461702.db2.gz PGVMTXUAORROEX-SFHVURJKSA-N 1 0 373.497 2.868 20 10 FFCDRO Cc1nn2c(C[NH2+]C[C@H](c3ccc(N(C)C)cc3)N(C)C)c(C)nc2s1 ZINC000898450632 976462298 /nfs/dbraw/zinc/46/22/98/976462298.db2.gz SHBCBSFJVYNHMB-GOSISDBHSA-N 1 0 372.542 2.866 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2c(C(F)(F)F)cnn2C)N(C)C)cc1 ZINC000898447002 976469552 /nfs/dbraw/zinc/46/95/52/976469552.db2.gz DKIBFXNOLNJKTF-MRXNPFEDSA-N 1 0 369.435 2.897 20 10 FFCDRO C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1O ZINC000827973336 976839605 /nfs/dbraw/zinc/83/96/05/976839605.db2.gz LYIQJVBHEVNNHJ-INIZCTEOSA-N 1 0 353.466 2.631 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C[C@H]2CCOC2)C2CC2)[NH+](C)C)cc1 ZINC000899101331 976911496 /nfs/dbraw/zinc/91/14/96/976911496.db2.gz IXNWKPATEXPVAH-UZLBHIALSA-N 1 0 374.529 2.566 20 10 FFCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876792352 1014393630 /nfs/dbraw/zinc/39/36/30/1014393630.db2.gz SYMZNZZCCMYYQZ-FQEVSTJZSA-N 1 0 354.498 2.891 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000893824726 977560977 /nfs/dbraw/zinc/56/09/77/977560977.db2.gz AERBNJCZBGQRJK-SJLPKXTDSA-N 1 0 362.518 2.612 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000893824728 977561005 /nfs/dbraw/zinc/56/10/05/977561005.db2.gz AERBNJCZBGQRJK-WMZOPIPTSA-N 1 0 362.518 2.612 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000876873308 1014407399 /nfs/dbraw/zinc/40/73/99/1014407399.db2.gz CFSPULYGSNCZPY-HXUWFJFHSA-N 1 0 355.482 2.680 20 10 FFCDRO Cc1cncc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000893887549 977582049 /nfs/dbraw/zinc/58/20/49/977582049.db2.gz MWWGMZKIKPJUKH-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876879539 1014409436 /nfs/dbraw/zinc/40/94/36/1014409436.db2.gz KVSPNKUPUFVNQA-PZJWPPBQSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(O)c1OC ZINC000894080115 977657527 /nfs/dbraw/zinc/65/75/27/977657527.db2.gz VZEITBVBMGYNAW-UHFFFAOYSA-N 1 0 362.401 2.987 20 10 FFCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000876987187 1014441335 /nfs/dbraw/zinc/44/13/35/1014441335.db2.gz RILKXUPVOLAWKK-CQSZACIVSA-N 1 0 357.454 2.797 20 10 FFCDRO O=C(NCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877032432 1014456897 /nfs/dbraw/zinc/45/68/97/1014456897.db2.gz JLWGYQNPYZODGP-UHFFFAOYSA-N 1 0 373.522 2.619 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(O)c1OC ZINC000894205001 978155553 /nfs/dbraw/zinc/15/55/53/978155553.db2.gz UNIIAZMEIOVHJR-MRXNPFEDSA-N 1 0 370.449 2.894 20 10 FFCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877066237 1014468080 /nfs/dbraw/zinc/46/80/80/1014468080.db2.gz HOFCBFPAXMLWIR-OAHLLOKOSA-N 1 0 356.514 2.719 20 10 FFCDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877515268 1014608111 /nfs/dbraw/zinc/60/81/11/1014608111.db2.gz ZQKUZZXMGQLAMW-UHFFFAOYSA-N 1 0 352.482 2.671 20 10 FFCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877617785 1014648786 /nfs/dbraw/zinc/64/87/86/1014648786.db2.gz VVHRDULVRIBUMC-OAQYLSRUSA-N 1 0 365.477 2.691 20 10 FFCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877639427 1014656907 /nfs/dbraw/zinc/65/69/07/1014656907.db2.gz JNSBSBWPZOUEDT-PZJWPPBQSA-N 1 0 360.498 2.859 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H](n3cccn3)C(F)(F)F)cc2)CC1 ZINC000877648990 1014661358 /nfs/dbraw/zinc/66/13/58/1014661358.db2.gz YWLBPFHVSUTHDR-QGZVFWFLSA-N 1 0 368.403 2.737 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)cc1OC ZINC000877668796 1014668470 /nfs/dbraw/zinc/66/84/70/1014668470.db2.gz UQHMYZRHWZFGAO-UHFFFAOYSA-N 1 0 359.422 2.919 20 10 FFCDRO CCOc1cccc(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1O ZINC000877687286 1014680076 /nfs/dbraw/zinc/68/00/76/1014680076.db2.gz HCNPPMRFXZJTJX-MSOLQXFVSA-N 1 0 369.465 2.795 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000877735586 1014704886 /nfs/dbraw/zinc/70/48/86/1014704886.db2.gz YDXLJTDHRHUXSA-UHFFFAOYSA-N 1 0 352.482 2.876 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906669640 981118438 /nfs/dbraw/zinc/11/84/38/981118438.db2.gz IAXCXOUXLTZYOC-UHFFFAOYSA-N 1 0 355.438 2.618 20 10 FFCDRO c1cnc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C[C@@H]1CCCN21 ZINC000877763028 1014717757 /nfs/dbraw/zinc/71/77/57/1014717757.db2.gz MXDQWDDCTCNOSK-NRFANRHFSA-N 1 0 364.493 2.903 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)c1ccccc1O ZINC000877757791 1014715511 /nfs/dbraw/zinc/71/55/11/1014715511.db2.gz VLFGCLQVFBDCII-QGZVFWFLSA-N 1 0 356.466 2.954 20 10 FFCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877818659 1014741504 /nfs/dbraw/zinc/74/15/04/1014741504.db2.gz MAUCSFBMYBGXSZ-QGZVFWFLSA-N 1 0 360.498 2.813 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000877923396 1014769081 /nfs/dbraw/zinc/76/90/81/1014769081.db2.gz NRBPQPGSQFUKAU-OAQYLSRUSA-N 1 0 374.525 2.931 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000826017833 1014844468 /nfs/dbraw/zinc/84/44/68/1014844468.db2.gz VYYWGKJKDRKWPC-MRXNPFEDSA-N 1 0 374.485 2.619 20 10 FFCDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc(N)cc1 ZINC000841962047 982476288 /nfs/dbraw/zinc/47/62/88/982476288.db2.gz MLQCXGDOHMZGEC-UHFFFAOYSA-N 1 0 358.461 2.724 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000898151608 982628062 /nfs/dbraw/zinc/62/80/62/982628062.db2.gz RMDVSKFJBYTXPS-AWEZNQCLSA-N 1 0 372.469 2.562 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)cc1F ZINC000878180806 1014903560 /nfs/dbraw/zinc/90/35/60/1014903560.db2.gz HIMSPAQAJFHUCV-QGZVFWFLSA-N 1 0 364.461 2.542 20 10 FFCDRO CC(=O)Nc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000911665471 983862806 /nfs/dbraw/zinc/86/28/06/983862806.db2.gz CQBRSMMGSBQVND-QGZVFWFLSA-N 1 0 374.872 2.794 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccnn3C(C)C)cc2F)CC1 ZINC000164651174 984387288 /nfs/dbraw/zinc/38/72/88/984387288.db2.gz SXYLITPKPAKZPD-UHFFFAOYSA-N 1 0 373.476 2.675 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000056864924 984465044 /nfs/dbraw/zinc/46/50/44/984465044.db2.gz VZRQFYSGKSGXHP-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCc4nc(C)ncc4C3)CC2)cc1 ZINC000764857177 984756838 /nfs/dbraw/zinc/75/68/38/984756838.db2.gz LDQBDGOYVUALAI-SFHVURJKSA-N 1 0 352.482 2.910 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)cc1 ZINC000761227269 984943980 /nfs/dbraw/zinc/94/39/80/984943980.db2.gz YQBSTYLGOAMZGV-GOSISDBHSA-N 1 0 350.466 2.786 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3c4c(nn3C)CCC4)cc2F)C[C@H](C)O1 ZINC000921553902 985306121 /nfs/dbraw/zinc/30/61/21/985306121.db2.gz YJPPWIMMMLGICA-GJZGRUSLSA-N 1 0 372.488 2.951 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4c3OCC4)cc2)C1 ZINC000921574210 985407694 /nfs/dbraw/zinc/40/76/94/985407694.db2.gz KSPHNIQGYUVPNF-LJQANCHMSA-N 1 0 365.477 2.613 20 10 FFCDRO Cc1nocc1CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068041 986182181 /nfs/dbraw/zinc/18/21/81/986182181.db2.gz JKUXZZMOOQOTCW-WBMJQRKESA-N 1 0 370.413 2.538 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000999413128 986499207 /nfs/dbraw/zinc/49/92/07/986499207.db2.gz QSNZIESNJIRUEO-HBFSDRIKSA-N 1 0 360.498 2.899 20 10 FFCDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000762720813 988606691 /nfs/dbraw/zinc/60/66/91/988606691.db2.gz BWEVJPYFCXNFDF-NRFANRHFSA-N 1 0 355.482 2.507 20 10 FFCDRO COc1ccccc1[C@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCCC1 ZINC000186757065 989186375 /nfs/dbraw/zinc/18/63/75/989186375.db2.gz CEEPTJPXMZQJQQ-INIZCTEOSA-N 1 0 356.422 2.673 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000701894011 989894325 /nfs/dbraw/zinc/89/43/25/989894325.db2.gz SWNYITLIWLKDPI-UHFFFAOYSA-N 1 0 362.426 2.610 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000154134075 989896993 /nfs/dbraw/zinc/89/69/93/989896993.db2.gz BQGQVTPYUNRNOQ-UHFFFAOYSA-N 1 0 374.506 2.728 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000917020997 990094925 /nfs/dbraw/zinc/09/49/25/990094925.db2.gz YPKBWBWRHBNVLE-HXUWFJFHSA-N 1 0 362.420 2.967 20 10 FFCDRO CCCNC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000154526484 990276535 /nfs/dbraw/zinc/27/65/35/990276535.db2.gz JXAFTAGCFQMOTH-UHFFFAOYSA-N 1 0 359.514 2.842 20 10 FFCDRO Cc1cc(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1N(C)C ZINC000923340462 991080888 /nfs/dbraw/zinc/08/08/88/991080888.db2.gz FAYGEADOYACJJD-HXUWFJFHSA-N 1 0 367.541 2.939 20 10 FFCDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000763456053 991167254 /nfs/dbraw/zinc/16/72/54/991167254.db2.gz VXMHWFJEWBBVDC-VQTJNVASSA-N 1 0 373.541 2.991 20 10 FFCDRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000237985249 991414956 /nfs/dbraw/zinc/41/49/56/991414956.db2.gz XGKGWQJELRHUEQ-GFCCVEGCSA-N 1 0 365.380 2.739 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000180065664 991418030 /nfs/dbraw/zinc/41/80/30/991418030.db2.gz MQWXOVRWLXVFOX-UHFFFAOYSA-N 1 0 369.509 2.650 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000182351803 992021624 /nfs/dbraw/zinc/02/16/24/992021624.db2.gz TZSABPCJTBDEAF-GFCCVEGCSA-N 1 0 371.393 2.549 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2OC)c1 ZINC000182445272 992051653 /nfs/dbraw/zinc/05/16/53/992051653.db2.gz CXHGAQXREVZPAK-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1cc(N2CC[NH+](CC3(O)CCCCC3)CC2)cc(OC)c1OC ZINC000183701437 992518672 /nfs/dbraw/zinc/51/86/72/992518672.db2.gz XQPDJJTXPCUYRH-UHFFFAOYSA-N 1 0 364.486 2.530 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000185347486 993290516 /nfs/dbraw/zinc/29/05/16/993290516.db2.gz GTQVPAPTFIKNHA-INIZCTEOSA-N 1 0 363.502 2.904 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(C)cn2)NC(=O)OC(C)(C)C)cc1 ZINC000808402715 994113917 /nfs/dbraw/zinc/11/39/17/994113917.db2.gz YFMJDUXCWGUPLF-GOSISDBHSA-N 1 0 373.501 2.842 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880453770 1015839465 /nfs/dbraw/zinc/83/94/65/1015839465.db2.gz RATFRWAWPITPNC-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448590 1015897541 /nfs/dbraw/zinc/89/75/41/1015897541.db2.gz QLVDJJYDGSAUQP-FOIQADDNSA-N 1 0 370.497 2.888 20 10 FFCDRO COc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)ccn1 ZINC001082611386 995064981 /nfs/dbraw/zinc/06/49/81/995064981.db2.gz FGZDKXVCUKFJSL-CRAIPNDOSA-N 1 0 369.465 2.658 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n(C)c1C ZINC000812747357 995523602 /nfs/dbraw/zinc/52/36/02/995523602.db2.gz WVQIXVGAWWAOIN-UHFFFAOYSA-N 1 0 373.522 2.963 20 10 FFCDRO O[C@@H]1CC[N@H+](Cc2cccc(NCc3ccc(N4CCOCC4)cc3)c2)C1 ZINC000812778762 995531213 /nfs/dbraw/zinc/53/12/13/995531213.db2.gz OCGRNPWYFKNXHO-JOCHJYFZSA-N 1 0 367.493 2.702 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000824314919 996883378 /nfs/dbraw/zinc/88/33/78/996883378.db2.gz SSSAFOZWAYBULW-QFBILLFUSA-N 1 0 362.493 2.908 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824435562 996938185 /nfs/dbraw/zinc/93/81/85/996938185.db2.gz UUBBCCXWBMVXAT-ROUUACIJSA-N 1 0 374.529 2.695 20 10 FFCDRO CCOc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c(O)c1 ZINC000825305039 997305274 /nfs/dbraw/zinc/30/52/74/997305274.db2.gz ANGAYOFHCVRDEX-UHFFFAOYSA-N 1 0 360.454 2.718 20 10 FFCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730788754 997481471 /nfs/dbraw/zinc/48/14/71/997481471.db2.gz YYPULQDZDUSFME-SFHVURJKSA-N 1 0 355.482 2.853 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)ccc21 ZINC000730902801 997558027 /nfs/dbraw/zinc/55/80/27/997558027.db2.gz IWAFIGKTORSWPZ-LJQANCHMSA-N 1 0 356.514 2.839 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000844313396 997771247 /nfs/dbraw/zinc/77/12/47/997771247.db2.gz RDXDPNHYZAZPAF-YJYMSZOUSA-N 1 0 368.474 2.669 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(CNc3cc[nH+]c4ccccc34)cc2)C1 ZINC000731981874 998382846 /nfs/dbraw/zinc/38/28/46/998382846.db2.gz FPBVGCMQRRZULF-KRWDZBQOSA-N 1 0 360.461 2.971 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)c(O)c1 ZINC001144509933 998623021 /nfs/dbraw/zinc/62/30/21/998623021.db2.gz NZWASJSBZMASKO-NRFANRHFSA-N 1 0 370.449 2.675 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000128903565 1016239676 /nfs/dbraw/zinc/23/96/76/1016239676.db2.gz AYLFKOPBRKRXTC-CQSZACIVSA-N 1 0 359.405 2.881 20 10 FFCDRO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000826945555 1016240336 /nfs/dbraw/zinc/24/03/36/1016240336.db2.gz CTVAMDAPSCLBQR-IXDOHACOSA-N 1 0 362.518 2.564 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)CC1 ZINC000733330574 998964528 /nfs/dbraw/zinc/96/45/28/998964528.db2.gz CFWPMWKGGJMPSP-UHFFFAOYSA-N 1 0 369.490 2.693 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C ZINC000740007005 999657029 /nfs/dbraw/zinc/65/70/29/999657029.db2.gz PYXLVVVKJWQSKC-NHCUHLMSSA-N 1 0 354.494 2.976 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(=O)NC2CCCC2)cc1 ZINC000741678223 999737199 /nfs/dbraw/zinc/73/71/99/999737199.db2.gz MCVRPSBGQINOAO-UHFFFAOYSA-N 1 0 360.502 2.733 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1C ZINC000742366771 999770697 /nfs/dbraw/zinc/77/06/97/999770697.db2.gz QRKJEFPEZSVSRI-UHFFFAOYSA-N 1 0 354.450 2.771 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)NCCC3CCCC3)CC2)cc1 ZINC000742940398 999793231 /nfs/dbraw/zinc/79/32/31/999793231.db2.gz SHMMKELFXUDRJR-UHFFFAOYSA-N 1 0 374.529 2.697 20 10 FFCDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000743430123 999817844 /nfs/dbraw/zinc/81/78/44/999817844.db2.gz CEPLYAJBCMMONS-UHFFFAOYSA-N 1 0 371.481 2.542 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407138 1000043924 /nfs/dbraw/zinc/04/39/24/1000043924.db2.gz ZKONYLQRMXPZAO-XOBRGWDASA-N 1 0 372.465 2.656 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](CCO)C2CC2)C1 ZINC000768056604 1000174202 /nfs/dbraw/zinc/17/42/02/1000174202.db2.gz SMHCNZSFAXWROS-LJQANCHMSA-N 1 0 369.509 2.685 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ncccn2)C1 ZINC000768066515 1000175303 /nfs/dbraw/zinc/17/53/03/1000175303.db2.gz BQYHAPKLPLSYKW-UHFFFAOYSA-N 1 0 363.465 2.514 20 10 FFCDRO CCN1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000846092492 1000201011 /nfs/dbraw/zinc/20/10/11/1000201011.db2.gz DMQMJFJSHWECQY-INIZCTEOSA-N 1 0 360.458 2.543 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1O ZINC000846153036 1000210437 /nfs/dbraw/zinc/21/04/37/1000210437.db2.gz DVBMQDZZGXJBRB-HZPDHXFCSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000846158154 1000211984 /nfs/dbraw/zinc/21/19/84/1000211984.db2.gz TZYCHCBKLWZCKC-KGLIPLIRSA-N 1 0 353.422 2.850 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000846170846 1000215824 /nfs/dbraw/zinc/21/58/24/1000215824.db2.gz MGIWNKGLJZXDMF-CYBMUJFWSA-N 1 0 354.406 2.738 20 10 FFCDRO CCOc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768437822 1000247577 /nfs/dbraw/zinc/24/75/77/1000247577.db2.gz JQVASZMXXJMZGV-IBGZPJMESA-N 1 0 370.449 2.539 20 10 FFCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1)[C@H](O)CO2 ZINC000768464924 1000263447 /nfs/dbraw/zinc/26/34/47/1000263447.db2.gz XMSBTCMECCQRMK-FXAWDEMLSA-N 1 0 355.434 2.652 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)c1ccccc1F)cc2=O ZINC000847019213 1000521649 /nfs/dbraw/zinc/52/16/49/1000521649.db2.gz HWJGDHGTOOFRSZ-MRXNPFEDSA-N 1 0 372.400 2.992 20 10 FFCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769499098 1000533981 /nfs/dbraw/zinc/53/39/81/1000533981.db2.gz WQQZPAZNKNRLNI-UXHICEINSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000771942666 1001250364 /nfs/dbraw/zinc/25/03/64/1001250364.db2.gz CIHAFXZKHPBNAA-SFHVURJKSA-N 1 0 374.485 2.933 20 10 FFCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772358027 1001361598 /nfs/dbraw/zinc/36/15/98/1001361598.db2.gz WTXSGLZGQUMYOB-DOTOQJQBSA-N 1 0 363.477 2.541 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000786048826 1001524041 /nfs/dbraw/zinc/52/40/41/1001524041.db2.gz FPTIWEFPUYWHKW-UHFFFAOYSA-N 1 0 350.422 2.742 20 10 FFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000786166642 1001550844 /nfs/dbraw/zinc/55/08/44/1001550844.db2.gz XQUHHLWHZMDOQW-IBGZPJMESA-N 1 0 358.457 2.664 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001232978520 1036210381 /nfs/dbraw/zinc/21/03/81/1036210381.db2.gz IZIGAWYPDSKWQL-AWEZNQCLSA-N 1 0 372.250 2.667 20 10 FFCDRO Cn1nc([C@H]2CCCOC2)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790487439 1002391083 /nfs/dbraw/zinc/39/10/83/1002391083.db2.gz MFCKNUBLXANCAT-SFHVURJKSA-N 1 0 369.513 2.678 20 10 FFCDRO COc1c(O)c(CN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001184398371 1002589919 /nfs/dbraw/zinc/58/99/19/1002589919.db2.gz JGGBGXBIPSCGRS-KDURUIRLSA-N 1 0 361.442 2.617 20 10 FFCDRO Cc1cc(Br)cc(C)c1NC(=O)NCCC[N@H+](C)CCO ZINC001184898795 1002741810 /nfs/dbraw/zinc/74/18/10/1002741810.db2.gz TWHDMUPJKKHMSD-UHFFFAOYSA-N 1 0 358.280 2.502 20 10 FFCDRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000791567161 1002743725 /nfs/dbraw/zinc/74/37/25/1002743725.db2.gz HEQLAOFUCZJMHC-FPCVCCKLSA-N 1 0 363.477 2.538 20 10 FFCDRO O=C(NCCc1ccccc1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001184971150 1002766282 /nfs/dbraw/zinc/76/62/82/1002766282.db2.gz OZXDLAIHSSAUJV-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO COc1c(O)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774821323 1002807032 /nfs/dbraw/zinc/80/70/32/1002807032.db2.gz BULLOGIVOXWHMT-CYBMUJFWSA-N 1 0 360.366 2.581 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000773077445 1002896427 /nfs/dbraw/zinc/89/64/27/1002896427.db2.gz DOLNKBIXTGWYGE-MJGOQNOKSA-N 1 0 360.498 2.902 20 10 FFCDRO COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001185575353 1002991211 /nfs/dbraw/zinc/99/12/11/1002991211.db2.gz NAQXFXVMSLCOSB-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000792939541 1003226984 /nfs/dbraw/zinc/22/69/84/1003226984.db2.gz KPOFWJLLHQTRED-SFHVURJKSA-N 1 0 369.465 2.865 20 10 FFCDRO Cc1nn(CCO)c(C)c1CN(Cc1ccco1)Cc1ccccc1O ZINC000154725053 1003250012 /nfs/dbraw/zinc/25/00/12/1003250012.db2.gz FMWCNHYVCCFQCC-UHFFFAOYSA-N 1 0 355.438 2.993 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC001203647981 1003437647 /nfs/dbraw/zinc/43/76/47/1003437647.db2.gz AYPYTIHAXNKMCJ-BXUZGUMPSA-N 1 0 353.260 2.597 20 10 FFCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793609442 1003444188 /nfs/dbraw/zinc/44/41/88/1003444188.db2.gz KIRAUIMGMGGWHM-XJKSGUPXSA-N 1 0 357.406 2.631 20 10 FFCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC001203648882 1003482624 /nfs/dbraw/zinc/48/26/24/1003482624.db2.gz YMALCSQBQGHJDC-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794380788 1003621478 /nfs/dbraw/zinc/62/14/78/1003621478.db2.gz CUBMOTPAFWQTCJ-SFHVURJKSA-N 1 0 354.450 2.929 20 10 FFCDRO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386886 1003634656 /nfs/dbraw/zinc/63/46/56/1003634656.db2.gz VMQQBCYBDQIELN-INIZCTEOSA-N 1 0 360.502 2.731 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000103596742 1003699426 /nfs/dbraw/zinc/69/94/26/1003699426.db2.gz BWMWJWPAJRFFDC-RDJZCZTQSA-N 1 0 371.481 2.934 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000775769008 1004174930 /nfs/dbraw/zinc/17/49/30/1004174930.db2.gz XKXHXFUKJJULHO-UHFFFAOYSA-N 1 0 370.449 2.935 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC34CCCC4)CC2)cc1 ZINC000747297648 1004216637 /nfs/dbraw/zinc/21/66/37/1004216637.db2.gz KPUZMCZUYNWBQW-FQEVSTJZSA-N 1 0 371.525 2.904 20 10 FFCDRO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(O)c1O ZINC001193114089 1004377699 /nfs/dbraw/zinc/37/76/99/1004377699.db2.gz KUSLACNBAGWACO-INIZCTEOSA-N 1 0 356.422 2.673 20 10 FFCDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(O)c1O ZINC001193120432 1004380117 /nfs/dbraw/zinc/38/01/17/1004380117.db2.gz XTYUIGDFUMZTHB-INIZCTEOSA-N 1 0 356.422 2.501 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775831050 1004527656 /nfs/dbraw/zinc/52/76/56/1004527656.db2.gz OMFWDMNSDBOLLV-RHSMWYFYSA-N 1 0 359.426 2.751 20 10 FFCDRO COC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775835650 1004564920 /nfs/dbraw/zinc/56/49/20/1004564920.db2.gz HMRTWYITYOSVDG-CQSZACIVSA-N 1 0 355.438 2.829 20 10 FFCDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccco1 ZINC000807442022 1004602352 /nfs/dbraw/zinc/60/23/52/1004602352.db2.gz UEQUGGIIIBOTKV-BBRMVZONSA-N 1 0 361.442 2.922 20 10 FFCDRO COc1ccc(C[NH2+]CCCN(C)CC(F)(F)F)cc1Cn1cccn1 ZINC001199285852 1004893743 /nfs/dbraw/zinc/89/37/43/1004893743.db2.gz HNXHXWCCTAHJAV-UHFFFAOYSA-N 1 0 370.419 2.914 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)C1 ZINC001199608010 1004984897 /nfs/dbraw/zinc/98/48/97/1004984897.db2.gz APJYQKPTOGJKQG-OAHLLOKOSA-N 1 0 370.522 2.623 20 10 FFCDRO CCc1cnc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC001199800577 1005031925 /nfs/dbraw/zinc/03/19/25/1005031925.db2.gz HFKUCXRBOZSRJI-UHFFFAOYSA-N 1 0 360.527 2.626 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000776276958 1005342728 /nfs/dbraw/zinc/34/27/28/1005342728.db2.gz MJEYDEIRRDWYHQ-HXUWFJFHSA-N 1 0 371.437 2.849 20 10 FFCDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000108864147 1005747153 /nfs/dbraw/zinc/74/71/53/1005747153.db2.gz SCAMUKPDNAZEBA-HOTGVXAUSA-N 1 0 363.477 2.541 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)CC2 ZINC000850185450 1005793659 /nfs/dbraw/zinc/79/36/59/1005793659.db2.gz GYHMUEPFNAOKKZ-AWEZNQCLSA-N 1 0 374.485 2.541 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000850347089 1005808903 /nfs/dbraw/zinc/80/89/03/1005808903.db2.gz NGAAYXCLEMVFGP-HXUWFJFHSA-N 1 0 366.509 2.923 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(-c4ccccc4C)nn3)C2)cc1 ZINC000850347477 1005809060 /nfs/dbraw/zinc/80/90/60/1005809060.db2.gz SIEZGIJTDHAYEA-KRWDZBQOSA-N 1 0 363.465 2.953 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c(O)c1 ZINC000850359972 1005811318 /nfs/dbraw/zinc/81/13/18/1005811318.db2.gz XSSSOSCRCPGCNY-OAHLLOKOSA-N 1 0 356.422 2.695 20 10 FFCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cc12 ZINC000850406205 1005813558 /nfs/dbraw/zinc/81/35/58/1005813558.db2.gz XJAGRHVUOVTCRQ-UHFFFAOYSA-N 1 0 365.481 2.528 20 10 FFCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406363 1005813627 /nfs/dbraw/zinc/81/36/27/1005813627.db2.gz CXPSRVRQRIBQKO-UHFFFAOYSA-N 1 0 368.403 2.690 20 10 FFCDRO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850473830 1005817682 /nfs/dbraw/zinc/81/76/82/1005817682.db2.gz GCYVRGAUVYAACG-RBUKOAKNSA-N 1 0 362.514 2.943 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000850506625 1005819317 /nfs/dbraw/zinc/81/93/17/1005819317.db2.gz GCOXQESQRPHTBI-RXVVDRJESA-N 1 0 362.514 2.886 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3cccc(OC)c3O)CC2=O)cc1 ZINC000850516056 1005820037 /nfs/dbraw/zinc/82/00/37/1005820037.db2.gz RLOPMOKYVQWQOM-KGLIPLIRSA-N 1 0 356.422 2.866 20 10 FFCDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567016 1005823046 /nfs/dbraw/zinc/82/30/46/1005823046.db2.gz WKJLMTXMHMMZEQ-LJQANCHMSA-N 1 0 353.466 2.916 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)Nc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000850751427 1005836024 /nfs/dbraw/zinc/83/60/24/1005836024.db2.gz BMNQLDRIYLLFEE-INIZCTEOSA-N 1 0 366.465 2.741 20 10 FFCDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000109770772 1005862317 /nfs/dbraw/zinc/86/23/17/1005862317.db2.gz TYCUMZJLKKTVQI-GFCCVEGCSA-N 1 0 359.382 2.768 20 10 FFCDRO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852189521 1005949385 /nfs/dbraw/zinc/94/93/85/1005949385.db2.gz KAFUOIQUTCGYGB-SFHVURJKSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[NH+]3CCC(C)CC3)C2)cc1 ZINC000852450509 1006031825 /nfs/dbraw/zinc/03/18/25/1006031825.db2.gz OBALIYXSIOBWIS-MSOLQXFVSA-N 1 0 374.529 2.694 20 10 FFCDRO O=C(c1cc2c(s1)CC[NH2+]C2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000852804408 1006193187 /nfs/dbraw/zinc/19/31/87/1006193187.db2.gz APBZCBZZKKWSIR-MRXNPFEDSA-N 1 0 372.490 2.921 20 10 FFCDRO CC1(C)CC[NH2+][C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852869798 1006213109 /nfs/dbraw/zinc/21/31/09/1006213109.db2.gz LTMHDADWXGRRAZ-CZUORRHYSA-N 1 0 367.440 2.761 20 10 FFCDRO OCc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ncc1F ZINC000853466863 1006399730 /nfs/dbraw/zinc/39/97/30/1006399730.db2.gz RZTHTARJOYJZDU-UHFFFAOYSA-N 1 0 370.472 2.857 20 10 FFCDRO C[NH+]1CCC(c2ccc(C(=O)NCCc3cc(O)c(O)cc3O)cc2)CC1 ZINC001188320997 1006511858 /nfs/dbraw/zinc/51/18/58/1006511858.db2.gz WZMBXVCBPSFVDR-UHFFFAOYSA-N 1 0 370.449 2.585 20 10 FFCDRO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000111842213 1006639595 /nfs/dbraw/zinc/63/95/95/1006639595.db2.gz SMDZIUXNWMVSGB-QGZVFWFLSA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)cc1 ZINC000854300909 1006766124 /nfs/dbraw/zinc/76/61/24/1006766124.db2.gz DAQRLQQLMNQRHH-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000854302031 1006768051 /nfs/dbraw/zinc/76/80/51/1006768051.db2.gz WWFGPVZZTOOYSB-MJGOQNOKSA-N 1 0 372.513 2.544 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000883371741 1006769748 /nfs/dbraw/zinc/76/97/48/1006769748.db2.gz YAZBVTSJBGMVSK-ICSRJNTNSA-N 1 0 361.530 2.538 20 10 FFCDRO Cc1ncc([C@@H](C)NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883800911 1007012315 /nfs/dbraw/zinc/01/23/15/1007012315.db2.gz QCSAOHKTCVMIHA-CQSZACIVSA-N 1 0 373.526 2.764 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775259253 1007130676 /nfs/dbraw/zinc/13/06/76/1007130676.db2.gz PSVPPBJWWFRCKP-KURKYZTESA-N 1 0 359.514 2.963 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000775262137 1007154888 /nfs/dbraw/zinc/15/48/88/1007154888.db2.gz YNBHZYJPOVAMNE-AWEZNQCLSA-N 1 0 374.872 2.861 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)c3ccc(CC[NH+](C)C)cc3)C2)cc1 ZINC000855223813 1007187144 /nfs/dbraw/zinc/18/71/44/1007187144.db2.gz CAFNANQVIKLMRZ-IBGZPJMESA-N 1 0 367.493 2.808 20 10 FFCDRO Cc1ncc2n1C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC2 ZINC000816922050 1007258408 /nfs/dbraw/zinc/25/84/08/1007258408.db2.gz PTJGKEMXKGRWOS-IEBWSBKVSA-N 1 0 369.465 2.667 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2OC)c1 ZINC000775369372 1007537106 /nfs/dbraw/zinc/53/71/06/1007537106.db2.gz AECSZQWCSAKJDG-ZBFHGGJFSA-N 1 0 361.438 2.638 20 10 FFCDRO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775369919 1007555467 /nfs/dbraw/zinc/55/54/67/1007555467.db2.gz SRGXPHZXBZMVRZ-GFCCVEGCSA-N 1 0 360.410 2.707 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2c(F)cccc2F)c1 ZINC000775373843 1007564493 /nfs/dbraw/zinc/56/44/93/1007564493.db2.gz YKKLKCDTOXRXKY-LBPRGKRZSA-N 1 0 364.392 2.689 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000775371493 1007574430 /nfs/dbraw/zinc/57/44/30/1007574430.db2.gz YTFSOYLNFHAYDB-KLCIDDBMSA-N 1 0 358.482 2.992 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895338 1007802075 /nfs/dbraw/zinc/80/20/75/1007802075.db2.gz SZYOHPSGCZFUMB-IIBYNOLFSA-N 1 0 371.500 2.835 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000817938683 1007816142 /nfs/dbraw/zinc/81/61/42/1007816142.db2.gz PUGUQAXSPHREHM-MGPUTAFESA-N 1 0 350.470 2.684 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817995890 1007828038 /nfs/dbraw/zinc/82/80/38/1007828038.db2.gz GLCAVCVWIRJKBO-FQEVSTJZSA-N 1 0 369.513 2.924 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nccn1C ZINC000775425228 1007853351 /nfs/dbraw/zinc/85/33/51/1007853351.db2.gz XSFUWDZBBVXURG-QGZVFWFLSA-N 1 0 353.514 2.803 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000856676434 1007944147 /nfs/dbraw/zinc/94/41/47/1007944147.db2.gz CQWXZNAKMXLYKF-FQEVSTJZSA-N 1 0 358.486 2.576 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000114590258 1007969427 /nfs/dbraw/zinc/96/94/27/1007969427.db2.gz KVGJAJSOHTZFON-QGZVFWFLSA-N 1 0 361.417 2.642 20 10 FFCDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000818985797 1008000214 /nfs/dbraw/zinc/00/02/14/1008000214.db2.gz ZXXHZGAEOIYFAK-HXUWFJFHSA-N 1 0 368.477 2.801 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)Nc1cccc(F)c1 ZINC000818972377 1008013168 /nfs/dbraw/zinc/01/31/68/1008013168.db2.gz FSRDVXITDQIVJU-UHFFFAOYSA-N 1 0 357.429 2.781 20 10 FFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000819120702 1008048590 /nfs/dbraw/zinc/04/85/90/1008048590.db2.gz DSLYLYJDYDGCLS-NRFANRHFSA-N 1 0 358.457 2.918 20 10 FFCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120525 1008048979 /nfs/dbraw/zinc/04/89/79/1008048979.db2.gz CADSIYWZODZQJC-NRFANRHFSA-N 1 0 358.457 2.918 20 10 FFCDRO C[C@@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168015 1008055562 /nfs/dbraw/zinc/05/55/62/1008055562.db2.gz KWMWRZBHLULHAJ-HOTGVXAUSA-N 1 0 371.481 2.809 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3ccc(C)cc3C)CC2)cc1 ZINC000819394312 1008113882 /nfs/dbraw/zinc/11/38/82/1008113882.db2.gz XNQHYKPAKRLFHO-HXUWFJFHSA-N 1 0 369.509 2.907 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COc3cccc(C)c3)C2)cc1 ZINC000819379755 1008127915 /nfs/dbraw/zinc/12/79/15/1008127915.db2.gz KXRFFZOLXSDRKP-AZUAARDMSA-N 1 0 370.493 2.859 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(C)c3)CC2)cc1 ZINC000011853461 1008180906 /nfs/dbraw/zinc/18/09/06/1008180906.db2.gz CWRZIDKNRYUKNL-UHFFFAOYSA-N 1 0 367.493 2.946 20 10 FFCDRO Fc1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)ccc1N1CCOCC1 ZINC000858210944 1008325932 /nfs/dbraw/zinc/32/59/32/1008325932.db2.gz BBUXXLBVRBTLCX-IBGZPJMESA-N 1 0 356.441 2.893 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489946 1008368400 /nfs/dbraw/zinc/36/84/00/1008368400.db2.gz PZODXNIQNIGQCL-OCCSQVGLSA-N 1 0 372.860 2.721 20 10 FFCDRO C[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000858528954 1008375875 /nfs/dbraw/zinc/37/58/75/1008375875.db2.gz UOFFQOHJWMESPN-LIRRHRJNSA-N 1 0 369.440 2.876 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC001136396706 1008395624 /nfs/dbraw/zinc/39/56/24/1008395624.db2.gz FUNLPVFAUFAKIV-UHFFFAOYSA-N 1 0 369.465 2.642 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000859232696 1008491516 /nfs/dbraw/zinc/49/15/16/1008491516.db2.gz JJZCGXCUBBNJEZ-LJQANCHMSA-N 1 0 353.466 2.660 20 10 FFCDRO CCO[C@@H](C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C1CC1 ZINC000859253576 1008493494 /nfs/dbraw/zinc/49/34/94/1008493494.db2.gz ZEAUUAUOVWICQN-IBGZPJMESA-N 1 0 364.486 2.650 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886302653 1008630399 /nfs/dbraw/zinc/63/03/99/1008630399.db2.gz SLHYGBYEUVJZCU-NRFANRHFSA-N 1 0 374.525 2.979 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC001177479192 1008641374 /nfs/dbraw/zinc/64/13/74/1008641374.db2.gz JJGCXYTWXWZPET-LJQANCHMSA-N 1 0 358.457 2.603 20 10 FFCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000886749128 1008859040 /nfs/dbraw/zinc/85/90/40/1008859040.db2.gz KFKKVKVTYROOFK-INIZCTEOSA-N 1 0 359.514 2.826 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823253983 1008976911 /nfs/dbraw/zinc/97/69/11/1008976911.db2.gz XRFDPIXTVPIYJS-ROUUACIJSA-N 1 0 374.529 2.553 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCN(Cc3cccnc3)C2)cc1 ZINC001180130215 1009557088 /nfs/dbraw/zinc/55/70/88/1009557088.db2.gz BREHTQYSCJBYJW-VQFGERMISA-N 1 0 350.466 2.552 20 10 FFCDRO CC1CC[NH+](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 ZINC000302740884 1009615621 /nfs/dbraw/zinc/61/56/21/1009615621.db2.gz KDKSKQLVGBILHY-NRFANRHFSA-N 1 0 373.541 2.992 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c(O)c1 ZINC000862352640 1009801838 /nfs/dbraw/zinc/80/18/38/1009801838.db2.gz GWFWBUIGPNDERD-CQSZACIVSA-N 1 0 366.458 2.862 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1(F)F ZINC000889662294 1010045850 /nfs/dbraw/zinc/04/58/50/1010045850.db2.gz BUDDPANBQJJPBM-OAHLLOKOSA-N 1 0 366.456 2.625 20 10 FFCDRO C[C@@H](F)CC[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240859 1010147562 /nfs/dbraw/zinc/14/75/62/1010147562.db2.gz KVJHVMCDRZVCQY-UMVBOHGHSA-N 1 0 363.437 2.895 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863303710 1010166982 /nfs/dbraw/zinc/16/69/82/1010166982.db2.gz YQJACEVNVQSMSK-IFIJOSMWSA-N 1 0 363.454 2.618 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC001181656720 1010198272 /nfs/dbraw/zinc/19/82/72/1010198272.db2.gz UKDBSGQBACXEJX-NVXWUHKLSA-N 1 0 354.516 2.713 20 10 FFCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863583033 1010261834 /nfs/dbraw/zinc/26/18/34/1010261834.db2.gz KYMZYJNLJLCZGD-LAUBAEHRSA-N 1 0 360.498 2.905 20 10 FFCDRO CN1CCCc2cc(CNC(=O)CC3([NH+]4CCOCC4)CCCC3)ccc21 ZINC000119584511 1010285392 /nfs/dbraw/zinc/28/53/92/1010285392.db2.gz AMDWQYXEAOJUNE-UHFFFAOYSA-N 1 0 371.525 2.720 20 10 FFCDRO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182156797 1010404008 /nfs/dbraw/zinc/40/40/08/1010404008.db2.gz CTGSJZHZWRWODV-UHFFFAOYSA-N 1 0 358.413 2.646 20 10 FFCDRO Nc1ccc(OCc2cn(C[C@H]3CC[N@H+](Cc4ccccc4)C3)nn2)cc1 ZINC000864633565 1010536784 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2.879 20 10 FFCDRO Cc1ccc(O)c(CN2C[C@@]3(F)C(=O)N(C4CCCC4)C[C@@]3(F)C2)c1 ZINC001275238511 1012122620 /nfs/dbraw/zinc/12/26/20/1012122620.db2.gz JTLAOLVFZATHMG-RBUKOAKNSA-N 1 0 350.409 2.718 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001275237855 1012126026 /nfs/dbraw/zinc/12/60/26/1012126026.db2.gz DKMMRMVZKPMCQB-NRFANRHFSA-N 1 0 351.450 2.863 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1O ZINC001275241685 1012129873 /nfs/dbraw/zinc/12/98/73/1012129873.db2.gz KLSUTMIPCRZDTK-QGZVFWFLSA-N 1 0 372.387 2.920 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001275254868 1012147540 /nfs/dbraw/zinc/14/75/40/1012147540.db2.gz WXUSHTTWNNKZMH-IBGZPJMESA-N 1 0 366.889 2.895 20 10 FFCDRO COc1cccc2c1C[C@@H]([NH2+]C1CCN(Cc3ccccc3O)CC1)CO2 ZINC001173150547 1012294183 /nfs/dbraw/zinc/29/41/83/1012294183.db2.gz MRTYFOOIFROIQD-GOSISDBHSA-N 1 0 368.477 2.959 20 10 FFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000796364335 1012378567 /nfs/dbraw/zinc/37/85/67/1012378567.db2.gz ULXYZPBFCWLSSC-UHFFFAOYSA-N 1 0 370.518 2.916 20 10 FFCDRO CC(=O)[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001275386532 1012406121 /nfs/dbraw/zinc/40/61/21/1012406121.db2.gz WZAJFBRJDIFATG-INIZCTEOSA-N 1 0 358.482 2.883 20 10 FFCDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796384289 1012567067 /nfs/dbraw/zinc/56/70/67/1012567067.db2.gz NOFOOENHQRIZIZ-YLJYHZDGSA-N 1 0 361.530 2.727 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)cc1 ZINC001275597205 1012665874 /nfs/dbraw/zinc/66/58/74/1012665874.db2.gz GKFSRQKCAPHAGI-LJQANCHMSA-N 1 0 351.441 2.975 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001275597857 1012672742 /nfs/dbraw/zinc/67/27/42/1012672742.db2.gz KGEXWQVONCKWEJ-MRXNPFEDSA-N 1 0 357.498 2.545 20 10 FFCDRO CN(C)c1ccc(CN2C[C@@]3(F)C(=O)N(C)C[C@@]3(F)C2)c2ccccc21 ZINC001275669865 1012810772 /nfs/dbraw/zinc/81/07/72/1012810772.db2.gz PSQBQOSHBUPONO-WOJBJXKFSA-N 1 0 359.420 2.610 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC(F)F)C3=O)C2)c1O ZINC001275775955 1012992368 /nfs/dbraw/zinc/99/23/68/1012992368.db2.gz ZSYDOPHFEUUBQL-LJQANCHMSA-N 1 0 366.408 2.615 20 10 FFCDRO Cc1nccn1-c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000777513966 1017240758 /nfs/dbraw/zinc/24/07/58/1017240758.db2.gz LCAHQQOAZRZSMP-UHFFFAOYSA-N 1 0 362.481 2.940 20 10 FFCDRO COc1cc([C@H](C)[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000924579193 1017362299 /nfs/dbraw/zinc/36/22/99/1017362299.db2.gz GYWASKARYZMTGS-INIZCTEOSA-N 1 0 374.485 2.555 20 10 FFCDRO Cc1cc(CC[NH2+][C@H]2C(=O)NCC23CCOCC3)c(C)n1-c1ccccc1 ZINC000924590774 1017365903 /nfs/dbraw/zinc/36/59/03/1017365903.db2.gz XPPINMUZLXYSAL-FQEVSTJZSA-N 1 0 367.493 2.521 20 10 FFCDRO Cc1nonc1[C@H](C)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925676382 1017815199 /nfs/dbraw/zinc/81/51/99/1017815199.db2.gz IQBKVCSKTAKTRM-HNNXBMFYSA-N 1 0 355.486 2.761 20 10 FFCDRO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(CO)on1 ZINC000925679177 1017815573 /nfs/dbraw/zinc/81/55/73/1017815573.db2.gz YRRNVSULQOBGNY-INIZCTEOSA-N 1 0 370.497 2.550 20 10 FFCDRO NC(=O)C1CCN(c2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000925776225 1017846669 /nfs/dbraw/zinc/84/66/69/1017846669.db2.gz FNFUJPJFSVIKCV-NHCUHLMSSA-N 1 0 364.493 2.623 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)cc2)CC1 ZINC000828564928 1032757650 /nfs/dbraw/zinc/75/76/50/1032757650.db2.gz YDXJSOIWVSARDE-WIYYLYMNSA-N 1 0 371.525 2.792 20 10 FFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725357 1018629077 /nfs/dbraw/zinc/62/90/77/1018629077.db2.gz FTIJMEZHZGRGLL-OXJNMPFZSA-N 1 0 353.466 2.709 20 10 FFCDRO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000827725128 1018630710 /nfs/dbraw/zinc/63/07/10/1018630710.db2.gz ACUJQVRGTNBJPL-HNNXBMFYSA-N 1 0 351.450 2.617 20 10 FFCDRO C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000827726203 1018630913 /nfs/dbraw/zinc/63/09/13/1018630913.db2.gz VEAPWUSHNVGASC-AOIWGVFYSA-N 1 0 359.514 2.726 20 10 FFCDRO CCOC(=O)[C@@]12C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@@H]1C[NH2+]CCC2 ZINC001222135818 1032779594 /nfs/dbraw/zinc/77/95/94/1032779594.db2.gz INEICQZAZSDSPN-UGSOOPFHSA-N 1 0 370.852 2.549 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3nccn3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000827884862 1018919645 /nfs/dbraw/zinc/91/96/45/1018919645.db2.gz KDPIQFRPIOKUFD-UHFFFAOYSA-N 1 0 358.486 2.754 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000828667509 1032794765 /nfs/dbraw/zinc/79/47/65/1032794765.db2.gz RQWIHMDUGUEKKL-PXAZEXFGSA-N 1 0 353.422 2.629 20 10 FFCDRO CCOC(=O)[C@@H]1CC2(CN1Cc1c(O)ccc(F)c1Cl)CC[NH2+]CC2 ZINC001222230581 1032840820 /nfs/dbraw/zinc/84/08/20/1032840820.db2.gz BCXDZRQKSWBVMU-AWEZNQCLSA-N 1 0 370.852 2.692 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000390737396 1019876490 /nfs/dbraw/zinc/87/64/90/1019876490.db2.gz QIKDRYRWPJJTJK-HOTGVXAUSA-N 1 0 362.470 2.995 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)c1 ZINC000930216519 1019928099 /nfs/dbraw/zinc/92/80/99/1019928099.db2.gz JQURSOKANGXCOD-ZFWWWQNUSA-N 1 0 356.422 2.973 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)cc1 ZINC000900261671 1020314330 /nfs/dbraw/zinc/31/43/30/1020314330.db2.gz WFQSMLPXBCCTET-UHFFFAOYSA-N 1 0 360.546 2.565 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)cc1OC ZINC000800544591 1020393761 /nfs/dbraw/zinc/39/37/61/1020393761.db2.gz MSLPZFHMVMZCHX-MDZDMXLPSA-N 1 0 370.449 2.719 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC000187408120 1020486088 /nfs/dbraw/zinc/48/60/88/1020486088.db2.gz OYTVAXSFUCUFSW-UHFFFAOYSA-N 1 0 369.425 2.571 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900731565 1020617747 /nfs/dbraw/zinc/61/77/47/1020617747.db2.gz FQNMSDJWYYTHOD-UHFFFAOYSA-N 1 0 359.514 2.568 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000749387418 1020965196 /nfs/dbraw/zinc/96/51/96/1020965196.db2.gz GCNHTGWLHFIEOV-FQEVSTJZSA-N 1 0 368.525 2.687 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CC[NH2+]CC[C@@H]3F)cccc21 ZINC001218012244 1032952519 /nfs/dbraw/zinc/95/25/19/1032952519.db2.gz IRLOXJQFPMBBPL-ZFWWWQNUSA-N 1 0 355.365 2.637 20 10 FFCDRO COc1ccc(C[C@@H](C)[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001117934735 1021977032 /nfs/dbraw/zinc/97/70/32/1021977032.db2.gz TVILRJUNRQVJPE-QGZVFWFLSA-N 1 0 369.509 2.940 20 10 FFCDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c1 ZINC001118531149 1022275503 /nfs/dbraw/zinc/27/55/03/1022275503.db2.gz BNBUJHVDXQCNJH-CTNGQTDRSA-N 1 0 355.434 2.990 20 10 FFCDRO CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@H](CO)C3)c2C)cc1 ZINC000156216941 1022344140 /nfs/dbraw/zinc/34/41/40/1022344140.db2.gz CFOGUAGQNMPXSS-KRWDZBQOSA-N 1 0 356.466 2.990 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)cc1 ZINC001118830795 1022428439 /nfs/dbraw/zinc/42/84/39/1022428439.db2.gz SNDCMFDKAFMGCH-OAHLLOKOSA-N 1 0 350.422 2.660 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC001118860025 1022446397 /nfs/dbraw/zinc/44/63/97/1022446397.db2.gz PDSUEDLZOVSBBV-WLRWDXFRSA-N 1 0 364.392 2.971 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)cc1C ZINC001019416265 1022457859 /nfs/dbraw/zinc/45/78/59/1022457859.db2.gz HBYZHAPMSJSOQL-SLFFLAALSA-N 1 0 365.477 2.893 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218314751 1033101128 /nfs/dbraw/zinc/10/11/28/1033101128.db2.gz TYSHGZFZFTTZMH-INIZCTEOSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001122241923 1023138994 /nfs/dbraw/zinc/13/89/94/1023138994.db2.gz CUYJOAIAQKLMKM-HUUCEWRRSA-N 1 0 366.387 2.841 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)c(O)c1OC ZINC001120035074 1023215790 /nfs/dbraw/zinc/21/57/90/1023215790.db2.gz OJISZZHXTLDEOD-MRXNPFEDSA-N 1 0 356.422 2.997 20 10 FFCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753569335 1023353861 /nfs/dbraw/zinc/35/38/61/1023353861.db2.gz BQLLZZUJRQFHGD-OALUTQOASA-N 1 0 354.450 2.976 20 10 FFCDRO CN(C)c1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000779224638 1023385159 /nfs/dbraw/zinc/38/51/59/1023385159.db2.gz GZHHJYOXDQKZFW-JOCHJYFZSA-N 1 0 371.500 2.961 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C)o3)cc2F)CC1 ZINC000754021424 1023416296 /nfs/dbraw/zinc/41/62/96/1023416296.db2.gz GUDLVBSZZGWTDC-UHFFFAOYSA-N 1 0 359.445 2.728 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc3ccc(OC)cc31)CC2 ZINC001276835787 1033142212 /nfs/dbraw/zinc/14/22/12/1033142212.db2.gz SGMPUNNRFUPZBA-GOSISDBHSA-N 1 0 354.450 2.902 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c1 ZINC000756398382 1023704717 /nfs/dbraw/zinc/70/47/17/1023704717.db2.gz WWMFSCAZGDWFON-QGZVFWFLSA-N 1 0 355.482 2.874 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)c4c3c(O)ccc4F)C2=O)n(C)n1 ZINC000756731586 1023750718 /nfs/dbraw/zinc/75/07/18/1023750718.db2.gz HEWQSJHXAFAYCP-DDTOSNHZSA-N 1 0 358.417 2.517 20 10 FFCDRO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756902150 1023767531 /nfs/dbraw/zinc/76/75/31/1023767531.db2.gz QEIVFFDOIBPZNZ-HKUYNNGSSA-N 1 0 374.506 2.867 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 ZINC000779489648 1023940244 /nfs/dbraw/zinc/94/02/44/1023940244.db2.gz RDYBGRJLGODPJL-ONNFQVAWSA-N 1 0 367.449 2.892 20 10 FFCDRO COc1ccc2c(c1O[C@H]1C[NH2+]CC[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218482382 1033174213 /nfs/dbraw/zinc/17/42/13/1033174213.db2.gz IGMQBIIYGMECQW-PXAZEXFGSA-N 1 0 351.402 2.847 20 10 FFCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192356989 1024090803 /nfs/dbraw/zinc/09/08/03/1024090803.db2.gz UVQMCHPPSVJLMX-IBGZPJMESA-N 1 0 371.437 2.681 20 10 FFCDRO [NH3+][C@H]1CCc2cc(C(=O)Nc3cccc(N4CCCC4)c3)ccc2NC1=O ZINC001121910865 1024160627 /nfs/dbraw/zinc/16/06/27/1024160627.db2.gz ONIOUOIRFIJWJM-SFHVURJKSA-N 1 0 364.449 2.751 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001122025662 1024268617 /nfs/dbraw/zinc/26/86/17/1024268617.db2.gz CWXUCWAPFIJBRE-IDYZSHNDSA-N 1 0 359.514 2.776 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000758847982 1024339697 /nfs/dbraw/zinc/33/96/97/1024339697.db2.gz SYOBORYUNFUKBW-LJQANCHMSA-N 1 0 374.529 2.539 20 10 FFCDRO CC[C@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001276850920 1033209493 /nfs/dbraw/zinc/20/94/93/1033209493.db2.gz HAXKHHWPCFXGSE-UWJYYQICSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CC2)COCC(=O)N3)c(C)n1-c1ccccc1 ZINC001137856180 1033222631 /nfs/dbraw/zinc/22/26/31/1033222631.db2.gz SOBLRXFWMFTMGP-UHFFFAOYSA-N 1 0 353.466 2.575 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000829578927 1033231134 /nfs/dbraw/zinc/23/11/34/1033231134.db2.gz AVFKDZNWJMQNTE-BEFAXECRSA-N 1 0 357.429 2.922 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)cc1F ZINC000084866049 1025151243 /nfs/dbraw/zinc/15/12/43/1025151243.db2.gz OFSHLODRFZHRII-UHFFFAOYSA-N 1 0 357.429 2.985 20 10 FFCDRO CN1CCOc2cc(CN3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC001141143237 1025516626 /nfs/dbraw/zinc/51/66/26/1025516626.db2.gz QJYWEDPZDIWRMN-UHFFFAOYSA-N 1 0 351.494 2.876 20 10 FFCDRO CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001141143311 1025517033 /nfs/dbraw/zinc/51/70/33/1025517033.db2.gz ULXNKBZFDXTSSX-QFIPXVFZSA-N 1 0 363.461 2.635 20 10 FFCDRO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141159452 1025542798 /nfs/dbraw/zinc/54/27/98/1025542798.db2.gz DHKJXTOFKNQWAT-KBXCAEBGSA-N 1 0 356.397 2.583 20 10 FFCDRO CN1CC[C@@]2(C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001141159527 1025543586 /nfs/dbraw/zinc/54/35/86/1025543586.db2.gz FIZSJFYKIKFJGH-NQIIRXRSSA-N 1 0 352.434 2.546 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000246293532 1025950747 /nfs/dbraw/zinc/95/07/47/1025950747.db2.gz XXUZRQSBVNDDFL-QWQRMKEZSA-N 1 0 364.461 2.808 20 10 FFCDRO C[C@@H]1[C@@H](C)CN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000838533320 1026402469 /nfs/dbraw/zinc/40/24/69/1026402469.db2.gz LZZLGTAHUSFCEO-DLBZAZTESA-N 1 0 356.514 2.768 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnccn2)NC(=O)OC(C)(C)C)cc1 ZINC000838987006 1026560004 /nfs/dbraw/zinc/56/00/04/1026560004.db2.gz WJMAEKVEQLUXJF-GOSISDBHSA-N 1 0 371.485 2.898 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000839494459 1026700269 /nfs/dbraw/zinc/70/02/69/1026700269.db2.gz LXUMRPCRJNQRCZ-CEWLAPEOSA-N 1 0 373.541 2.894 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000839542401 1026723354 /nfs/dbraw/zinc/72/33/54/1026723354.db2.gz UKBODDSYCBNKIN-INIZCTEOSA-N 1 0 369.465 2.946 20 10 FFCDRO COC(OC)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000839769421 1026821397 /nfs/dbraw/zinc/82/13/97/1026821397.db2.gz FQJNFCHYGLNWLD-OAHLLOKOSA-N 1 0 373.497 2.531 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000840113102 1026962169 /nfs/dbraw/zinc/96/21/69/1026962169.db2.gz BVAKMHPZUASEAN-GOSISDBHSA-N 1 0 371.481 2.839 20 10 FFCDRO O=C(N1C[C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]2C1)C(F)(F)F ZINC000840128796 1026970989 /nfs/dbraw/zinc/97/09/89/1026970989.db2.gz VAEBDTRIMZEAPW-GDBMZVCRSA-N 1 0 368.399 2.724 20 10 FFCDRO CC1=C(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCO1 ZINC000092126484 1027228323 /nfs/dbraw/zinc/22/83/23/1027228323.db2.gz ULFZURKMTCNICE-UHFFFAOYSA-N 1 0 369.509 2.919 20 10 FFCDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000840779815 1027244274 /nfs/dbraw/zinc/24/42/74/1027244274.db2.gz BVFLSSAZLCZCNS-FQEVSTJZSA-N 1 0 361.530 2.675 20 10 FFCDRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1)N1CCOCC1 ZINC000093014077 1027559271 /nfs/dbraw/zinc/55/92/71/1027559271.db2.gz MANWNQMQMGOLBM-NRFANRHFSA-N 1 0 371.525 2.890 20 10 FFCDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534567 1028220159 /nfs/dbraw/zinc/22/01/59/1028220159.db2.gz OKGGQYSHFVGZBR-XJKSGUPXSA-N 1 0 373.419 2.868 20 10 FFCDRO CC(C)CN(C(=O)c1cc2cc(O)c(O)cc2oc1=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001155235358 1028641768 /nfs/dbraw/zinc/64/17/68/1028641768.db2.gz LAAUPJRCTIVXDX-HDJSIYSDSA-N 1 0 374.437 2.572 20 10 FFCDRO O=C1Cc2cc(N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)ncc2N1 ZINC001155629463 1028825599 /nfs/dbraw/zinc/82/55/99/1028825599.db2.gz KNYVYLRKZQHVRV-ODULNIPZSA-N 1 0 364.493 2.976 20 10 FFCDRO COC(=O)c1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001155629349 1028825820 /nfs/dbraw/zinc/82/58/20/1028825820.db2.gz ICTKEYJLPWMKDG-IXIUHKBRSA-N 1 0 368.481 2.663 20 10 FFCDRO CN(C)c1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nn1 ZINC001155631456 1028827940 /nfs/dbraw/zinc/82/79/40/1028827940.db2.gz YHGWRYHMFWREQO-XKGFGPFHSA-N 1 0 353.514 2.942 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c(O)c1O ZINC000780938664 1028881746 /nfs/dbraw/zinc/88/17/46/1028881746.db2.gz KCAQWWYSFCSSRI-UHFFFAOYSA-N 1 0 370.449 2.811 20 10 FFCDRO CCOc1nccnc1NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000781385638 1029181231 /nfs/dbraw/zinc/18/12/31/1029181231.db2.gz DOTZEUYXEIEAOS-UHFFFAOYSA-N 1 0 359.449 2.768 20 10 FFCDRO OC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCCOC1 ZINC000840964580 1029948361 /nfs/dbraw/zinc/94/83/61/1029948361.db2.gz YFOYWVJPKTVMKX-AZUAARDMSA-N 1 0 357.450 2.848 20 10 FFCDRO COc1cc(O)c(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)cc1OC ZINC000840971944 1029954589 /nfs/dbraw/zinc/95/45/89/1029954589.db2.gz VWUBUKKRUQXUPL-UHFFFAOYSA-N 1 0 372.421 2.520 20 10 FFCDRO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000840975538 1029956576 /nfs/dbraw/zinc/95/65/76/1029956576.db2.gz YRBCRHYCHVVSNY-HXUWFJFHSA-N 1 0 357.498 2.500 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000841041918 1029995637 /nfs/dbraw/zinc/99/56/37/1029995637.db2.gz GDTYYMMSIRCRFM-HXUWFJFHSA-N 1 0 353.445 2.867 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000841126443 1030059202 /nfs/dbraw/zinc/05/92/02/1030059202.db2.gz ZXVAVTUXHRVCKP-UHFFFAOYSA-N 1 0 355.438 2.618 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000841332158 1030203080 /nfs/dbraw/zinc/20/30/80/1030203080.db2.gz PAWPJBRFIMPOMT-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000783715166 1030247181 /nfs/dbraw/zinc/24/71/81/1030247181.db2.gz IUUJGLHBCHXZBA-KRWDZBQOSA-N 1 0 363.458 2.822 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000841608232 1030365479 /nfs/dbraw/zinc/36/54/79/1030365479.db2.gz YSPXIILACAEZBL-HXUWFJFHSA-N 1 0 352.482 2.948 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841709094 1030421495 /nfs/dbraw/zinc/42/14/95/1030421495.db2.gz BDYNSVSHVUFVJZ-UHFFFAOYSA-N 1 0 356.514 2.962 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1F ZINC000841759688 1030446996 /nfs/dbraw/zinc/44/69/96/1030446996.db2.gz HMLKVMGLDDWUJL-SFHVURJKSA-N 1 0 362.493 2.811 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841832775 1030493769 /nfs/dbraw/zinc/49/37/69/1030493769.db2.gz SLIMMRICGVGZGU-LJQANCHMSA-N 1 0 354.498 2.594 20 10 FFCDRO COCCN1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000784533554 1030670121 /nfs/dbraw/zinc/67/01/21/1030670121.db2.gz NWSWZIIPRYGXQG-INIZCTEOSA-N 1 0 369.456 2.567 20 10 FFCDRO O=C(NCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccccc2O)C1 ZINC001203552841 1030764423 /nfs/dbraw/zinc/76/44/23/1030764423.db2.gz SRQXOHYEAVRVSE-KVSKMBFKSA-N 1 0 372.490 2.750 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1O ZINC001203589525 1030773444 /nfs/dbraw/zinc/77/34/44/1030773444.db2.gz KAOBDMLNELOCRW-SJLPKXTDSA-N 1 0 370.424 2.630 20 10 FFCDRO COc1cccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1O ZINC001203592304 1030776355 /nfs/dbraw/zinc/77/63/55/1030776355.db2.gz SJWCKROCWMNJQK-HZPDHXFCSA-N 1 0 358.463 2.666 20 10 FFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cccc(OC)c1O ZINC001203600173 1030779838 /nfs/dbraw/zinc/77/98/38/1030779838.db2.gz UVHZTMYVDMYLFG-MRXNPFEDSA-N 1 0 353.459 2.971 20 10 FFCDRO CCOc1cccc(CN2CCc3onc(C(=O)N(C)C(C)C)c3C2)c1O ZINC001203608142 1030782610 /nfs/dbraw/zinc/78/26/10/1030782610.db2.gz JFVCMYVRZSPFIU-UHFFFAOYSA-N 1 0 373.453 2.818 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3nccc(OC)n3)C2)c1O ZINC001203617105 1030785609 /nfs/dbraw/zinc/78/56/09/1030785609.db2.gz GZHKUTCCZPEXRC-OAHLLOKOSA-N 1 0 359.426 2.633 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c(O)c1 ZINC001203623465 1030792479 /nfs/dbraw/zinc/79/24/79/1030792479.db2.gz RROAMOJCHSAPMJ-RTBURBONSA-N 1 0 367.449 2.561 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC001203628866 1030795850 /nfs/dbraw/zinc/79/58/50/1030795850.db2.gz IVLLISCIIDFYLZ-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)ccc3O)CC2)C1 ZINC001203664501 1030812157 /nfs/dbraw/zinc/81/21/57/1030812157.db2.gz HREQYLSKKOQKQF-CQSZACIVSA-N 1 0 366.889 2.895 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001203671514 1030816547 /nfs/dbraw/zinc/81/65/47/1030816547.db2.gz QCGDIZZRMJTTNK-INIZCTEOSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1 ZINC001203671110 1030818234 /nfs/dbraw/zinc/81/82/34/1030818234.db2.gz JMVQICPGXMUEDM-VQIMIIECSA-N 1 0 370.424 2.630 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1 ZINC001203673106 1030822030 /nfs/dbraw/zinc/82/20/30/1030822030.db2.gz NFPCVLMAXMFVRC-HNAYVOBHSA-N 1 0 370.424 2.886 20 10 FFCDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203879494 1030955930 /nfs/dbraw/zinc/95/59/30/1030955930.db2.gz RYGZKLTZKMVNFO-ZWOKBUDYSA-N 1 0 367.449 2.639 20 10 FFCDRO CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203934499 1030995818 /nfs/dbraw/zinc/99/58/18/1030995818.db2.gz ZWXBXBPLOUNTQZ-FQEVSTJZSA-N 1 0 373.541 2.850 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000797615224 1031162173 /nfs/dbraw/zinc/16/21/73/1031162173.db2.gz XAIFXIDLLZTWJU-CQSZACIVSA-N 1 0 373.453 2.791 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CN1c1ccc(F)cc1 ZINC001204273782 1031202622 /nfs/dbraw/zinc/20/26/22/1031202622.db2.gz UTRAPNGTSFFPMA-FQEVSTJZSA-N 1 0 356.397 2.866 20 10 FFCDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204277416 1031204255 /nfs/dbraw/zinc/20/42/55/1031204255.db2.gz DJXHSYCFPSSFKH-UHFFFAOYSA-N 1 0 371.437 2.893 20 10 FFCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@H]2C1 ZINC001204340504 1031237429 /nfs/dbraw/zinc/23/74/29/1031237429.db2.gz UVGMIONSHXOVRM-CHWSQXEVSA-N 1 0 355.276 2.547 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c1O ZINC001143105212 1031237569 /nfs/dbraw/zinc/23/75/69/1031237569.db2.gz MXNSOHMTRMOCMF-BHIYHBOVSA-N 1 0 372.509 2.805 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)c(OC)c2)C[C@H]2CCCC[C@@H]12 ZINC001204347821 1031242763 /nfs/dbraw/zinc/24/27/63/1031242763.db2.gz YSPAQOHGKWQJQA-OAGGEKHMSA-N 1 0 363.454 2.908 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)cc(O)c1O ZINC001204348947 1031246265 /nfs/dbraw/zinc/24/62/65/1031246265.db2.gz LOTNFFBBWSSHMD-HXUWFJFHSA-N 1 0 372.465 2.612 20 10 FFCDRO Cc1cc[nH]c1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000797967400 1031268231 /nfs/dbraw/zinc/26/82/31/1031268231.db2.gz SIZAETGUSPSVBI-UHFFFAOYSA-N 1 0 352.482 2.785 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000843296862 1031292615 /nfs/dbraw/zinc/29/26/15/1031292615.db2.gz HHTZXXXBHQKFKB-KRWDZBQOSA-N 1 0 374.466 2.569 20 10 FFCDRO COc1ccccc1CNC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349923 1031340904 /nfs/dbraw/zinc/34/09/04/1031340904.db2.gz MREJFHOOLJJREW-OAHLLOKOSA-N 1 0 353.466 2.611 20 10 FFCDRO COc1cccc(CNC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349579 1031343175 /nfs/dbraw/zinc/34/31/75/1031343175.db2.gz DYSVNTLCNWGZNT-OAHLLOKOSA-N 1 0 353.466 2.611 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2C)cc1 ZINC000843482140 1031421724 /nfs/dbraw/zinc/42/17/24/1031421724.db2.gz HBBZPRKFZYGFLJ-JXFKEZNVSA-N 1 0 353.466 2.927 20 10 FFCDRO COc1ccc(CN2CCN(CCOc3ccccc3)CC2)c(O)c1OC ZINC001205093530 1031519682 /nfs/dbraw/zinc/51/96/82/1031519682.db2.gz HSGDROOYARFOCK-UHFFFAOYSA-N 1 0 372.465 2.606 20 10 FFCDRO Cc1cc(-c2nccn2C)c(-c2ccc(OCCC[NH+](C)C)nc2)nn1 ZINC001205218426 1031603047 /nfs/dbraw/zinc/60/30/47/1031603047.db2.gz PSOSCOSVLUQKEU-UHFFFAOYSA-N 1 0 352.442 2.578 20 10 FFCDRO O=C1N[C@H]2CC[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]2CO1 ZINC000799144068 1031667270 /nfs/dbraw/zinc/66/72/70/1031667270.db2.gz XJYGFHWRAJKMND-DOMZBBRYSA-N 1 0 356.422 2.948 20 10 FFCDRO COc1cccc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1O ZINC000830540044 1033662735 /nfs/dbraw/zinc/66/27/35/1033662735.db2.gz DITZNQFNGVAILY-SFHVURJKSA-N 1 0 354.450 2.897 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc3c(c1O)C=CC(C)(C)O3)CC2 ZINC001276947790 1033724213 /nfs/dbraw/zinc/72/42/13/1033724213.db2.gz COCGOZRPFMJRLM-INIZCTEOSA-N 1 0 356.466 2.925 20 10 FFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001138127435 1033811988 /nfs/dbraw/zinc/81/19/88/1033811988.db2.gz BIMDKNIPHTZCGB-LBPRGKRZSA-N 1 0 368.206 2.737 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1F ZINC000831116493 1033954285 /nfs/dbraw/zinc/95/42/85/1033954285.db2.gz AYEKDFXSDHGGEE-IBGZPJMESA-N 1 0 356.445 2.659 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3c(C)n(C)c4ccccc34)CC[C@H]21 ZINC001138253897 1034021717 /nfs/dbraw/zinc/02/17/17/1034021717.db2.gz KBYDDNBRHMRUIR-RTWAWAEBSA-N 1 0 355.482 2.698 20 10 FFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(C)n(C)c3ccccc31)CCO2 ZINC001138257139 1034027237 /nfs/dbraw/zinc/02/72/37/1034027237.db2.gz XRFBPCQIRSIWJB-NRFANRHFSA-N 1 0 355.482 2.700 20 10 FFCDRO COc1cnc(N2CC[NH+](Cc3c(C)n(C)c4ccccc43)CC2)nc1 ZINC001138259339 1034029706 /nfs/dbraw/zinc/02/97/06/1034029706.db2.gz GKDDQILGYOETGA-UHFFFAOYSA-N 1 0 351.454 2.608 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138259972 1034030618 /nfs/dbraw/zinc/03/06/18/1034030618.db2.gz TXBDLNCNQIYWRE-UHFFFAOYSA-N 1 0 357.498 2.994 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1N(C)C ZINC000831576320 1034131406 /nfs/dbraw/zinc/13/14/06/1034131406.db2.gz DJMVIZKXQNYISH-JKSUJKDBSA-N 1 0 369.431 2.904 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1C(F)(F)F ZINC001138338397 1034168420 /nfs/dbraw/zinc/16/84/20/1034168420.db2.gz QSYPUJHSOMUGLU-ZBFHGGJFSA-N 1 0 370.415 2.694 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@H]1C ZINC001138340319 1034169962 /nfs/dbraw/zinc/16/99/62/1034169962.db2.gz TYZVHLQTPJBMTK-WMLDXEAASA-N 1 0 358.482 2.865 20 10 FFCDRO CCC(=O)N(C)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138341534 1034172197 /nfs/dbraw/zinc/17/21/97/1034172197.db2.gz HPUQQFBYIGGAMK-UHFFFAOYSA-N 1 0 371.525 2.924 20 10 FFCDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](CO)C(C)C ZINC000831654718 1034182349 /nfs/dbraw/zinc/18/23/49/1034182349.db2.gz LIIBOLUYCADJGQ-PZJWPPBQSA-N 1 0 363.546 2.590 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCN(CCc4ccccn4)CC3)ccc21 ZINC001138357798 1034195110 /nfs/dbraw/zinc/19/51/10/1034195110.db2.gz KUHJUANBSPOVDE-UHFFFAOYSA-N 1 0 350.510 2.824 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC000831748503 1034255820 /nfs/dbraw/zinc/25/58/20/1034255820.db2.gz DTJZZNSOYANMHP-FOIQADDNSA-N 1 0 371.456 2.519 20 10 FFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138496073 1034335227 /nfs/dbraw/zinc/33/52/27/1034335227.db2.gz IPGCWFXJVPSLQI-HXUWFJFHSA-N 1 0 374.525 2.788 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001277097476 1034516527 /nfs/dbraw/zinc/51/65/27/1034516527.db2.gz HSFCQFRIUCHAJC-ORAYPTAESA-N 1 0 368.424 2.520 20 10 FFCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676962 1034537283 /nfs/dbraw/zinc/53/72/83/1034537283.db2.gz BBDVADOXIINKSF-OAHLLOKOSA-N 1 0 369.303 2.897 20 10 FFCDRO CCc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1CC(C)C ZINC000832266395 1034688487 /nfs/dbraw/zinc/68/84/87/1034688487.db2.gz FETPSTAGTRDSNW-GOSISDBHSA-N 1 0 357.502 2.597 20 10 FFCDRO CCCOc1cccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832266847 1034688545 /nfs/dbraw/zinc/68/85/45/1034688545.db2.gz JQPKXIDCOHGQST-FQEVSTJZSA-N 1 0 355.482 2.900 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000832273387 1034695954 /nfs/dbraw/zinc/69/59/54/1034695954.db2.gz NRTIVLYLHPSEJW-IIDMSEBBSA-N 1 0 359.420 2.951 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000832292993 1034706496 /nfs/dbraw/zinc/70/64/96/1034706496.db2.gz OSTSGOFVSPJJDU-YJBOKZPZSA-N 1 0 373.884 2.773 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2nc3ccccc3o2)cc1 ZINC000832292988 1034706560 /nfs/dbraw/zinc/70/65/60/1034706560.db2.gz OQLUOAWSMJHDPE-INIZCTEOSA-N 1 0 352.438 2.643 20 10 FFCDRO CCOC(=O)Nc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293359 1034708417 /nfs/dbraw/zinc/70/84/17/1034708417.db2.gz VLYZEATVPDBSIA-GOSISDBHSA-N 1 0 370.453 2.751 20 10 FFCDRO COc1cc(CN2CCc3cnc(SC)nc3C2)cc(C[NH+](C)C)c1O ZINC001139259311 1035032409 /nfs/dbraw/zinc/03/24/09/1035032409.db2.gz QUPZBVPRPCLETD-UHFFFAOYSA-N 1 0 374.510 2.533 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001221893810 1035140786 /nfs/dbraw/zinc/14/07/86/1035140786.db2.gz GDSACNQAUQYATN-KRWDZBQOSA-N 1 0 367.497 2.876 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)ccc1N(C)C ZINC001139672572 1035194275 /nfs/dbraw/zinc/19/42/75/1035194275.db2.gz YIGMLZWNZLLUAJ-KNQAVFIVSA-N 1 0 373.541 2.672 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140062835 1035327840 /nfs/dbraw/zinc/32/78/40/1035327840.db2.gz GCTAKCMRWBOXLF-UHFFFAOYSA-N 1 0 350.415 2.765 20 10 FFCDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140102054 1035341679 /nfs/dbraw/zinc/34/16/79/1035341679.db2.gz IBMGOXIRGRNLEL-GFCCVEGCSA-N 1 0 364.243 2.906 20 10 FFCDRO COCCN1CCOC[C@@]2(CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)C1 ZINC001140179160 1035369672 /nfs/dbraw/zinc/36/96/72/1035369672.db2.gz CTEWRVXNUYYBPJ-NRFANRHFSA-N 1 0 362.514 2.570 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)c1O ZINC001140179766 1035370113 /nfs/dbraw/zinc/37/01/13/1035370113.db2.gz OONFGYZJZITDRY-OAQYLSRUSA-N 1 0 368.481 2.762 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1O ZINC001140181922 1035370477 /nfs/dbraw/zinc/37/04/77/1035370477.db2.gz XVLXINDESYPYTJ-XUVXKRRUSA-N 1 0 354.450 2.820 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCc4cccc(O)c43)CC2)cc1 ZINC000834540760 1035405612 /nfs/dbraw/zinc/40/56/12/1035405612.db2.gz IZBFZKNESYHSSW-HXUWFJFHSA-N 1 0 367.493 2.800 20 10 FFCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)CC2 ZINC000834578261 1035409236 /nfs/dbraw/zinc/40/92/36/1035409236.db2.gz IYTRSTUZPZAION-PMACEKPBSA-N 1 0 352.478 2.913 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN(C)Cc3nnc4ccccn43)cc2)CC1 ZINC001140301992 1035425021 /nfs/dbraw/zinc/42/50/21/1035425021.db2.gz GYIYOAUHBMYCEU-UHFFFAOYSA-N 1 0 364.497 2.503 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)CN1CC1CC1 ZINC001140339213 1035443733 /nfs/dbraw/zinc/44/37/33/1035443733.db2.gz FUBFJKATCZZFMD-UHFFFAOYSA-N 1 0 364.873 2.649 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC12COC2 ZINC001140342401 1035445548 /nfs/dbraw/zinc/44/55/48/1035445548.db2.gz HTSBZTHURVZSOH-OAHLLOKOSA-N 1 0 368.861 2.771 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1)C1CCOCC1 ZINC001140464202 1035484757 /nfs/dbraw/zinc/48/47/57/1035484757.db2.gz GJMYKSSUNTXYRS-MRXNPFEDSA-N 1 0 352.862 2.553 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140466583 1035485665 /nfs/dbraw/zinc/48/56/65/1035485665.db2.gz HNTHPDHIVJAAME-BEFAXECRSA-N 1 0 360.841 2.968 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835035593 1035490921 /nfs/dbraw/zinc/49/09/21/1035490921.db2.gz LEASEHWGJZUQSU-FNORWQNLSA-N 1 0 353.466 2.680 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000835067945 1035503585 /nfs/dbraw/zinc/50/35/85/1035503585.db2.gz XNUKAIJPXPJKOP-INIZCTEOSA-N 1 0 366.458 2.516 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1F ZINC000835067360 1035505748 /nfs/dbraw/zinc/50/57/48/1035505748.db2.gz QCYBSLBFLSCLEC-OAHLLOKOSA-N 1 0 367.465 2.617 20 10 FFCDRO Oc1cc(O)c(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cc1Cl ZINC001232259855 1035531861 /nfs/dbraw/zinc/53/18/61/1035531861.db2.gz LSNQQVFNZVJMCK-UHFFFAOYSA-N 1 0 359.857 2.854 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)c1 ZINC001232265832 1035538277 /nfs/dbraw/zinc/53/82/77/1035538277.db2.gz PRMWLBYICDDMBL-ZDUSSCGKSA-N 1 0 350.802 2.808 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]12CCN(CC(C)C)C2=O ZINC001277215689 1035590831 /nfs/dbraw/zinc/59/08/31/1035590831.db2.gz YZRVUVNRBMXZPO-OAQYLSRUSA-N 1 0 359.514 2.984 20 10 FFCDRO COCCCC[NH+]1CCN(Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232410261 1035657450 /nfs/dbraw/zinc/65/74/50/1035657450.db2.gz KTVZCMATBVFPDV-UHFFFAOYSA-N 1 0 373.497 2.509 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231795 1035670724 /nfs/dbraw/zinc/67/07/24/1035670724.db2.gz GDYPLHZBJAYGDR-GOSISDBHSA-N 1 0 361.829 2.801 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)cc1Cl ZINC001277666002 1035694515 /nfs/dbraw/zinc/69/45/15/1035694515.db2.gz MDHOMSLFVUGBEJ-SFHVURJKSA-N 1 0 352.862 2.889 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)c1 ZINC001140621061 1035747517 /nfs/dbraw/zinc/74/75/17/1035747517.db2.gz GQKCTGRAYIBHTP-GHTZIAJQSA-N 1 0 373.497 2.630 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC001140623096 1035751865 /nfs/dbraw/zinc/75/18/65/1035751865.db2.gz LFHQIHMJWJRFJU-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140665010 1035822160 /nfs/dbraw/zinc/82/21/60/1035822160.db2.gz ZYNFZTAWSUCQFO-QGZVFWFLSA-N 1 0 364.461 2.828 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c1O ZINC001140747386 1036044808 /nfs/dbraw/zinc/04/48/08/1036044808.db2.gz AYSTYIRHLRQLPZ-UHFFFAOYSA-N 1 0 368.359 2.537 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001232835654 1036087304 /nfs/dbraw/zinc/08/73/04/1036087304.db2.gz FFWYSPVBPGKRKU-UHFFFAOYSA-N 1 0 361.486 2.901 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001232975441 1036206367 /nfs/dbraw/zinc/20/63/67/1036206367.db2.gz CPUBYWWYOVPNLD-AWEZNQCLSA-N 1 0 359.207 2.609 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(O)c1 ZINC001140854843 1036289873 /nfs/dbraw/zinc/28/98/73/1036289873.db2.gz DCTQKTYZNLUVAN-UHFFFAOYSA-N 1 0 369.513 2.967 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001233111174 1036356445 /nfs/dbraw/zinc/35/64/45/1036356445.db2.gz JWTOMVCQBUNPJZ-OAHLLOKOSA-N 1 0 367.287 2.954 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1O ZINC001233111800 1036357345 /nfs/dbraw/zinc/35/73/45/1036357345.db2.gz YJPZLTPGBSJFNG-UHFFFAOYSA-N 1 0 367.287 2.907 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233135524 1036384623 /nfs/dbraw/zinc/38/46/23/1036384623.db2.gz UAEJKQKWQNFEMM-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c2ccccc2n1C ZINC001233273505 1036480626 /nfs/dbraw/zinc/48/06/26/1036480626.db2.gz GFGPMCUUTDHYQV-HXUWFJFHSA-N 1 0 358.438 2.740 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c1 ZINC001233285135 1036493418 /nfs/dbraw/zinc/49/34/18/1036493418.db2.gz UKSKCTIKIXQDSN-GUDVDZBRSA-N 1 0 372.509 2.805 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c(O)c1 ZINC001140948439 1036539283 /nfs/dbraw/zinc/53/92/83/1036539283.db2.gz HQDHXXVSFBTWEZ-UHFFFAOYSA-N 1 0 351.450 2.629 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)c(O)c1 ZINC001140950575 1036548421 /nfs/dbraw/zinc/54/84/21/1036548421.db2.gz YXIMQKMVBPDTCZ-GHTZIAJQSA-N 1 0 373.497 2.630 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001140957502 1036568487 /nfs/dbraw/zinc/56/84/87/1036568487.db2.gz BRYUUKBYRBTDKT-DLBZAZTESA-N 1 0 362.470 2.911 20 10 FFCDRO COCCC[N@H+](C)CCNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001229312460 1036608233 /nfs/dbraw/zinc/60/82/33/1036608233.db2.gz YVLPCSDPWNSUSA-UHFFFAOYSA-N 1 0 372.513 2.862 20 10 FFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454079 1036633513 /nfs/dbraw/zinc/63/35/13/1036633513.db2.gz GEORDHSPXGVMHC-UHFFFAOYSA-N 1 0 362.392 2.728 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233452695 1036634959 /nfs/dbraw/zinc/63/49/59/1036634959.db2.gz HHASLWXLKKJJCL-ZDUSSCGKSA-N 1 0 368.403 2.801 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cc(O)c(O)cc4O)C[C@H]3C2)cc1 ZINC001233484128 1036651952 /nfs/dbraw/zinc/65/19/52/1036651952.db2.gz ZBMPDMJWKQJCKO-QZTJIDSGSA-N 1 0 354.450 2.676 20 10 FFCDRO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001233487271 1036655583 /nfs/dbraw/zinc/65/55/83/1036655583.db2.gz WYYOHPQGOAEPFZ-ZDUSSCGKSA-N 1 0 352.431 2.635 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC001141028330 1036764929 /nfs/dbraw/zinc/76/49/29/1036764929.db2.gz KUHZKROBRAJHTL-ROUUACIJSA-N 1 0 368.477 2.973 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(OC)c1 ZINC001141029271 1036767950 /nfs/dbraw/zinc/76/79/50/1036767950.db2.gz NAVQFTXCGCYELC-LJQANCHMSA-N 1 0 354.450 2.824 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C[C@@H]1C ZINC001141032607 1036778333 /nfs/dbraw/zinc/77/83/33/1036778333.db2.gz IWQCEFZFRFWJFF-KBPBESRZSA-N 1 0 351.443 2.821 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(OC)c1 ZINC001141034504 1036794172 /nfs/dbraw/zinc/79/41/72/1036794172.db2.gz GIHMFJJNTLJWFD-RBUKOAKNSA-N 1 0 369.465 2.653 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001277834095 1036935381 /nfs/dbraw/zinc/93/53/81/1036935381.db2.gz QKHUTNOUVRISGR-QGZVFWFLSA-N 1 0 372.387 2.838 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CCN(c4cc[nH+]cc4)C3)C2=O)cc1 ZINC001277878175 1037145307 /nfs/dbraw/zinc/14/53/07/1037145307.db2.gz BHAXKZGVJROZHX-OAQYLSRUSA-N 1 0 350.466 2.777 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3cccc(-c4ccccc4)c3O)CC2)CN1 ZINC001234999271 1037289181 /nfs/dbraw/zinc/28/91/81/1037289181.db2.gz RCZYFOGWFRDYKD-UHFFFAOYSA-N 1 0 352.434 2.540 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001235324078 1037477787 /nfs/dbraw/zinc/47/77/87/1037477787.db2.gz MOBUFXKDGSKELM-SESVDKBCSA-N 1 0 367.493 2.820 20 10 FFCDRO CCOC(=O)[C@@]12C[N@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]1CC[NH2+]CC2 ZINC001235350225 1037496692 /nfs/dbraw/zinc/49/66/92/1037496692.db2.gz XGNGFQDNEMINNX-UGSOOPFHSA-N 1 0 370.852 2.549 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C4CCCC4)C3=O)C2)c(O)c1 ZINC001277942661 1037525327 /nfs/dbraw/zinc/52/53/27/1037525327.db2.gz DTJQPZGXCBHHNT-OAQYLSRUSA-N 1 0 357.498 2.825 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC001207563574 1037556490 /nfs/dbraw/zinc/55/64/90/1037556490.db2.gz ANAHHBQHMDRPAJ-CQSZACIVSA-N 1 0 354.219 2.987 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCc2nncn2CC1 ZINC001231467149 1037614246 /nfs/dbraw/zinc/61/42/46/1037614246.db2.gz DTMMHYBDIPCVFG-UHFFFAOYSA-N 1 0 350.422 2.621 20 10 FFCDRO COc1ccc(Br)c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001231555892 1037679655 /nfs/dbraw/zinc/67/96/55/1037679655.db2.gz YMRYQGCPOFHHBP-MNOVXSKESA-N 1 0 354.244 2.964 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(C(=O)[O-])ccc4O)C[C@H]3C2)cc1 ZINC001231564288 1037686885 /nfs/dbraw/zinc/68/68/85/1037686885.db2.gz WHCQBVKNIJTAFF-WOJBJXKFSA-N 1 0 366.461 2.963 20 10 FFCDRO COc1cccc(C[C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001207748577 1037691663 /nfs/dbraw/zinc/69/16/63/1037691663.db2.gz KUEYJRKAAZNILE-OXJNMPFZSA-N 1 0 356.514 2.980 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231632945 1037752058 /nfs/dbraw/zinc/75/20/58/1037752058.db2.gz FUKGSNXZPUPCFI-ZIAGYGMSSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c(O)cc1O ZINC001231635927 1037759426 /nfs/dbraw/zinc/75/94/26/1037759426.db2.gz ZCNPNBJXFZZUKP-IBGZPJMESA-N 1 0 374.462 2.797 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(O)cc1O ZINC001231639791 1037764975 /nfs/dbraw/zinc/76/49/75/1037764975.db2.gz KLGRCKDFJHSRPF-UHFFFAOYSA-N 1 0 362.470 2.767 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN(C3(C)CC[NH2+]CC3)CC2)c(OC)c1 ZINC001235815487 1037765211 /nfs/dbraw/zinc/76/52/11/1037765211.db2.gz LJXBSXZMPVRAPD-UHFFFAOYSA-N 1 0 374.573 2.801 20 10 FFCDRO CC1(N2CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)CC[NH2+]CC1 ZINC001235823320 1037771191 /nfs/dbraw/zinc/77/11/91/1037771191.db2.gz VQOYWHGKHADMBD-UHFFFAOYSA-N 1 0 358.313 2.959 20 10 FFCDRO CC(C)(C)OC(=O)N(CCO)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001207858132 1037791423 /nfs/dbraw/zinc/79/14/23/1037791423.db2.gz DZRJLYDHSVNMIU-MRXNPFEDSA-N 1 0 368.449 2.725 20 10 FFCDRO CC(C)c1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001536924589 1070087236 /nfs/dbraw/zinc/08/72/36/1070087236.db2.gz IPNKTHKNSDSWCE-UHFFFAOYSA-N 1 0 358.511 2.948 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235855101 1037793872 /nfs/dbraw/zinc/79/38/72/1037793872.db2.gz SCHNOBXVWWJHGL-NRFANRHFSA-N 1 0 355.457 2.809 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC(F)F)C(=O)CO3)c(O)c1 ZINC001277975382 1037809141 /nfs/dbraw/zinc/80/91/41/1037809141.db2.gz DWIGRHQKZKSGFE-LJQANCHMSA-N 1 0 368.424 2.584 20 10 FFCDRO Fc1ccc(N2CCN(Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)c(F)c1 ZINC001235875466 1037811850 /nfs/dbraw/zinc/81/18/50/1037811850.db2.gz PXDKAUJPYQAJMZ-UHFFFAOYSA-N 1 0 372.463 2.697 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CC[NH2+][C@@H](CCO)C2)c(O)c1 ZINC001236086069 1037929170 /nfs/dbraw/zinc/92/91/70/1037929170.db2.gz PCQAIBCKEDKMPW-IBGZPJMESA-N 1 0 363.546 2.955 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001231843862 1037941351 /nfs/dbraw/zinc/94/13/51/1037941351.db2.gz CBNIVXUCRHYAGT-SIKLNZKXSA-N 1 0 365.477 2.932 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001231853136 1037952000 /nfs/dbraw/zinc/95/20/00/1037952000.db2.gz SMONBQOCHQJSNU-NRFANRHFSA-N 1 0 359.514 2.984 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc3ccccc3c2O)C1 ZINC001231878471 1037970498 /nfs/dbraw/zinc/97/04/98/1037970498.db2.gz LCZQUXHEGCNMRV-MRXNPFEDSA-N 1 0 350.466 2.936 20 10 FFCDRO Oc1c(C[NH+]2CC(N3CCN(c4ccccn4)CC3)C2)ccc2ccccc21 ZINC001231880848 1037973579 /nfs/dbraw/zinc/97/35/79/1037973579.db2.gz LTURGTQEQKMMFN-UHFFFAOYSA-N 1 0 374.488 2.947 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc3ccccc3c2O)cn1 ZINC001231880346 1037973984 /nfs/dbraw/zinc/97/39/84/1037973984.db2.gz MFUMDXNMDWDHLS-RTBURBONSA-N 1 0 362.433 2.659 20 10 FFCDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(Cl)c3[O-])CC2)C1 ZINC001231912856 1038005803 /nfs/dbraw/zinc/00/58/03/1038005803.db2.gz CHVSBKPQLJEYAV-HNNXBMFYSA-N 1 0 366.889 2.895 20 10 FFCDRO COC(=O)[C@@H](N)[C@H]1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236278811 1038019695 /nfs/dbraw/zinc/01/96/95/1038019695.db2.gz WNPADTMKJDJDJU-PXNSSMCTSA-N 1 0 355.482 2.806 20 10 FFCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236749431 1038233231 /nfs/dbraw/zinc/23/32/31/1038233231.db2.gz HVCYFFNBVNLMIT-LJQANCHMSA-N 1 0 351.443 2.965 20 10 FFCDRO COc1cc(O)c(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)cc1OC ZINC001236750130 1038234752 /nfs/dbraw/zinc/23/47/52/1038234752.db2.gz PEBLULFSIDEBAD-UHFFFAOYSA-N 1 0 366.458 2.708 20 10 FFCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(O)c(Br)cc3O)C[C@H]2C1 ZINC001236765636 1038251643 /nfs/dbraw/zinc/25/16/43/1038251643.db2.gz QYEMGDUCWHYLNW-CHWSQXEVSA-N 1 0 355.276 2.634 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@]34N=C(C)N(CC)C4=O)C2)c(O)c1 ZINC001236787802 1038268134 /nfs/dbraw/zinc/26/81/34/1038268134.db2.gz OKTHAEQHMQJFPM-PLMTUMEDSA-N 1 0 355.482 2.816 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(O)c1 ZINC001236789561 1038271924 /nfs/dbraw/zinc/27/19/24/1038271924.db2.gz YEBCECGAQZANJZ-KRWDZBQOSA-N 1 0 362.470 2.680 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC001236797887 1038277424 /nfs/dbraw/zinc/27/74/24/1038277424.db2.gz BTJDKHXJCWTZJS-CYBMUJFWSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(Cl)c1 ZINC001236797889 1038277458 /nfs/dbraw/zinc/27/74/58/1038277458.db2.gz BTJDKHXJCWTZJS-ZDUSSCGKSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c(O)c1 ZINC001236809224 1038283354 /nfs/dbraw/zinc/28/33/54/1038283354.db2.gz QAWRKEKONVZWMA-HRAATJIYSA-N 1 0 372.465 2.635 20 10 FFCDRO FC1CC[NH+](C2CN(Cc3ccc(N4CCOCC4)cc3Cl)C2)CC1 ZINC001236926472 1038358519 /nfs/dbraw/zinc/35/85/19/1038358519.db2.gz HSXJEGUPXMDNNF-UHFFFAOYSA-N 1 0 367.896 2.795 20 10 FFCDRO COCCCN(Cc1cc(C)c(Br)cc1O)[C@H]1CC[NH2+]C1 ZINC001236949965 1038376170 /nfs/dbraw/zinc/37/61/70/1038376170.db2.gz JOZJRISBDOSWEK-AWEZNQCLSA-N 1 0 357.292 2.664 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(c3ccc(C(=O)OC)cc3)CC2)c(O)c1 ZINC001237043263 1038420612 /nfs/dbraw/zinc/42/06/12/1038420612.db2.gz NOJOPVQSFHWHIP-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237055678 1038425480 /nfs/dbraw/zinc/42/54/80/1038425480.db2.gz INNFFKUPSYUKHN-UHFFFAOYSA-N 1 0 360.376 2.824 20 10 FFCDRO C[NH+]1CCC(N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC001256217114 1038436824 /nfs/dbraw/zinc/43/68/24/1038436824.db2.gz YFNWGHZEVYZKSP-UHFFFAOYSA-N 1 0 366.509 2.877 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c(Br)c1 ZINC001237073808 1038437125 /nfs/dbraw/zinc/43/71/25/1038437125.db2.gz VIKYQHYKJGBSER-UHFFFAOYSA-N 1 0 370.243 2.835 20 10 FFCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3c(O)cccc3OC(F)(F)F)C2)N1 ZINC001237113279 1038447664 /nfs/dbraw/zinc/44/76/64/1038447664.db2.gz VDCKYQQNYDZZCU-MRXNPFEDSA-N 1 0 358.360 2.926 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1 ZINC001208980151 1038615299 /nfs/dbraw/zinc/61/52/99/1038615299.db2.gz DCHNUBNXVMHSBL-GOSISDBHSA-N 1 0 363.502 2.820 20 10 FFCDRO COCCOCN1CCC[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1 ZINC001278617196 1038842673 /nfs/dbraw/zinc/84/26/73/1038842673.db2.gz VQUPHTGXJVYTMY-OAQYLSRUSA-N 1 0 362.514 2.999 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Nc2cccnc2)c1 ZINC001278616981 1038843967 /nfs/dbraw/zinc/84/39/67/1038843967.db2.gz MKNGEQVMUNOTMG-HDICACEKSA-N 1 0 352.438 2.976 20 10 FFCDRO CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001251501212 1039157751 /nfs/dbraw/zinc/15/77/51/1039157751.db2.gz OKYJFEZXWHQGBZ-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO CCC(CC)(CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC001251547047 1039173519 /nfs/dbraw/zinc/17/35/19/1039173519.db2.gz AZDBXILZTCJPRE-GOSISDBHSA-N 1 0 364.534 2.860 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]CCc2ccc(N)cc2)cc1 ZINC001246015946 1039191033 /nfs/dbraw/zinc/19/10/33/1039191033.db2.gz CPLVQADJKBBFBJ-HXUWFJFHSA-N 1 0 370.493 2.916 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)c(C)c1 ZINC001251706213 1039263650 /nfs/dbraw/zinc/26/36/50/1039263650.db2.gz CMRBRAXWGWOBEJ-LJQANCHMSA-N 1 0 370.493 2.874 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3cccc(C)c3O)CC2)C1=O ZINC001276683355 1039516124 /nfs/dbraw/zinc/51/61/24/1039516124.db2.gz LFZWSPJRTXVDAY-KKSFZXQISA-N 1 0 358.482 2.883 20 10 FFCDRO c1cncc(COc2ccc(N3CCN([C@H]4CCCC[NH2+]C4)CC3)cc2)c1 ZINC001247006212 1039575932 /nfs/dbraw/zinc/57/59/32/1039575932.db2.gz UNWRXZDOUUQBAE-NRFANRHFSA-N 1 0 366.509 2.925 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)OCc1ccccc1 ZINC001253652033 1040290924 /nfs/dbraw/zinc/29/09/24/1040290924.db2.gz YIFVPVQECZOEFI-QFIPXVFZSA-N 1 0 368.477 2.871 20 10 FFCDRO CC(C)[C@@H](O)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001253768733 1040361450 /nfs/dbraw/zinc/36/14/50/1040361450.db2.gz PXBPJXVYSFMWFX-NRFANRHFSA-N 1 0 355.482 2.800 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)cc3)CC2)cc1 ZINC001253830786 1040397057 /nfs/dbraw/zinc/39/70/57/1040397057.db2.gz QOMBSCMQLNBWAS-HXUWFJFHSA-N 1 0 370.493 2.956 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1CCC2(C[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001278745647 1040433031 /nfs/dbraw/zinc/43/30/31/1040433031.db2.gz FVDJZVZHHFRIEA-GOSISDBHSA-N 1 0 354.450 2.655 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001254186877 1040604545 /nfs/dbraw/zinc/60/45/45/1040604545.db2.gz VONZKLJIFZGNEQ-YOEHRIQHSA-N 1 0 366.458 2.510 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+](Cc2ccccc2)CC(OC)OC)c(O)c1 ZINC001249173257 1040616368 /nfs/dbraw/zinc/61/63/68/1040616368.db2.gz SIPRMZLRSZQLIJ-UHFFFAOYSA-N 1 0 373.449 2.729 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)c(O)c1 ZINC001249201110 1040624019 /nfs/dbraw/zinc/62/40/19/1040624019.db2.gz GBICRFOMULISGK-IBGZPJMESA-N 1 0 355.434 2.899 20 10 FFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2Cc3ccc(Br)cc3C2)cc1O ZINC001254259336 1040647287 /nfs/dbraw/zinc/64/72/87/1040647287.db2.gz DJXIAFVOMXGOQN-YOEHRIQHSA-N 1 0 364.239 2.651 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254289322 1040661382 /nfs/dbraw/zinc/66/13/82/1040661382.db2.gz SHVVNHBLGFKXQM-WMLDXEAASA-N 1 0 366.458 2.510 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001254292103 1040662689 /nfs/dbraw/zinc/66/26/89/1040662689.db2.gz SPBPOGNNLNGSQB-AWEZNQCLSA-N 1 0 366.458 2.725 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2cncc(Br)c2)no1)c1ccccc1O ZINC001249340207 1040692643 /nfs/dbraw/zinc/69/26/43/1040692643.db2.gz WYFGBSXZWFVOPS-GFCCVEGCSA-N 1 0 361.199 2.842 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)c(O)cc1O ZINC001276705197 1040901568 /nfs/dbraw/zinc/90/15/68/1040901568.db2.gz MPLZCQHNJKVYFS-JLTOFOAXSA-N 1 0 362.470 2.862 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)cc2)CC1 ZINC001254716261 1040904430 /nfs/dbraw/zinc/90/44/30/1040904430.db2.gz KPXSMRPVVIFGKR-BJLQDIEVSA-N 1 0 356.514 2.674 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC001249733306 1040969038 /nfs/dbraw/zinc/96/90/38/1040969038.db2.gz FCHBNMJCZGRRGT-QGZVFWFLSA-N 1 0 364.486 2.640 20 10 FFCDRO O=C(Nc1cccnc1)N1CC2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001278552175 1041117938 /nfs/dbraw/zinc/11/79/38/1041117938.db2.gz RLCUUMOKOHVNJW-UHFFFAOYSA-N 1 0 352.438 2.917 20 10 FFCDRO COc1ccc(CN2CC3(C2)CC[N@H+](Cc2scnc2C)C3)c(O)c1 ZINC001278577062 1041236031 /nfs/dbraw/zinc/23/60/31/1041236031.db2.gz MOYCPEQUYHDJRO-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c1O ZINC001278576066 1041236299 /nfs/dbraw/zinc/23/62/99/1041236299.db2.gz DTKIPQKRBFWTGE-UHFFFAOYSA-N 1 0 356.470 2.612 20 10 FFCDRO Cc1nnc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC001262361833 1041657989 /nfs/dbraw/zinc/65/79/89/1041657989.db2.gz ZJUDKBUDPFQAEY-AWEZNQCLSA-N 1 0 352.891 2.960 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC3(C[NH2+]C3)CC2)CCCC1 ZINC001263151867 1042135101 /nfs/dbraw/zinc/13/51/01/1042135101.db2.gz OAKOVLNJILQNDQ-UHFFFAOYSA-N 1 0 367.493 2.741 20 10 FFCDRO Cc1cncc(/C=C/C(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC001263228882 1042185727 /nfs/dbraw/zinc/18/57/27/1042185727.db2.gz YAHKJKMAQKPBFN-FNYRVFDFSA-N 1 0 363.461 2.912 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)cc1 ZINC001279149350 1042920473 /nfs/dbraw/zinc/92/04/73/1042920473.db2.gz FTSXJHPAAWYITG-ROUUACIJSA-N 1 0 371.447 2.980 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3COCCOC)cc1 ZINC001279149334 1042920635 /nfs/dbraw/zinc/92/06/35/1042920635.db2.gz FHUYPASLDYOPKL-OYRHEFFESA-N 1 0 361.530 2.802 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(CN(C(=O)CCc4ccc[nH]4)C3)C2)c1O ZINC001279233291 1042957328 /nfs/dbraw/zinc/95/73/28/1042957328.db2.gz NNCSSQKMXLOCMY-UHFFFAOYSA-N 1 0 353.466 2.614 20 10 FFCDRO Cc1cc(CN2CCC3(C[NH+](Cc4c(C)ccc(C)c4O)C3)C2)n(C)n1 ZINC001279234893 1042958567 /nfs/dbraw/zinc/95/85/67/1042958567.db2.gz HXQZEGHURVJQAT-UHFFFAOYSA-N 1 0 354.498 2.759 20 10 FFCDRO Cc1ncsc1CN1[C@H]2COC[C@@H]1C[N@H+](Cc1ccc(C)cc1O)C2 ZINC001279337525 1043010992 /nfs/dbraw/zinc/01/09/92/1043010992.db2.gz BWKNLJSNRGFPDU-CALCHBBNSA-N 1 0 359.495 2.551 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CN(Cc4ccc[nH]4)CCO3)C2)c(O)c1 ZINC001279338854 1043011150 /nfs/dbraw/zinc/01/11/50/1043011150.db2.gz QQFJOZWGQYUDPA-OAQYLSRUSA-N 1 0 355.482 2.896 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Nc2cccnc2)c(O)c1 ZINC001279339036 1043011227 /nfs/dbraw/zinc/01/12/27/1043011227.db2.gz VDXDVFSOMZUJHI-ROUUACIJSA-N 1 0 352.438 2.976 20 10 FFCDRO C[C@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1C ZINC001237204027 1043050969 /nfs/dbraw/zinc/05/09/69/1043050969.db2.gz XKYFUOGKBDANTB-DLBZAZTESA-N 1 0 350.528 2.789 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001279432513 1043106457 /nfs/dbraw/zinc/10/64/57/1043106457.db2.gz KKZVCIFHAJATJG-OAQYLSRUSA-N 1 0 362.514 2.917 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3c(C)cc(C)cc3O)C[C@H]21 ZINC001279432888 1043107646 /nfs/dbraw/zinc/10/76/46/1043107646.db2.gz PDVXYIDMACBDSC-MJGOQNOKSA-N 1 0 373.522 2.859 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001237489115 1043203182 /nfs/dbraw/zinc/20/31/82/1043203182.db2.gz VKPGXPGMHNKQJL-UHFFFAOYSA-N 1 0 353.466 2.967 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001237490696 1043204884 /nfs/dbraw/zinc/20/48/84/1043204884.db2.gz ZQWJRYZBLYTNHU-CEWLAPEOSA-N 1 0 371.481 2.736 20 10 FFCDRO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCCN2C ZINC001279552149 1043248054 /nfs/dbraw/zinc/24/80/54/1043248054.db2.gz YUUHEAZCOBGMIS-KDURUIRLSA-N 1 0 356.514 2.836 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(O)c(OC)c1 ZINC001237674088 1043303086 /nfs/dbraw/zinc/30/30/86/1043303086.db2.gz ODWAZLBGEBOCAL-HXUWFJFHSA-N 1 0 362.470 2.632 20 10 FFCDRO COc1cc(CN2CC[NH+](CCc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237676225 1043304978 /nfs/dbraw/zinc/30/49/78/1043304978.db2.gz LJUFVBYRMGOOQH-UHFFFAOYSA-N 1 0 356.466 2.770 20 10 FFCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(OC)cc(OC)c1O)CC2 ZINC001237677264 1043305530 /nfs/dbraw/zinc/30/55/30/1043305530.db2.gz YKMBGYUZWNKBGA-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2O)Cc2ccccc21 ZINC001237680394 1043306993 /nfs/dbraw/zinc/30/69/93/1043306993.db2.gz JQPOOTIJTDJWSC-QGZVFWFLSA-N 1 0 357.406 2.682 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)c1O ZINC001237682592 1043309125 /nfs/dbraw/zinc/30/91/25/1043309125.db2.gz BRCLSZLJKWIBBE-LJQANCHMSA-N 1 0 374.872 2.717 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c(O)c(OC)c1 ZINC001237683301 1043309314 /nfs/dbraw/zinc/30/93/14/1043309314.db2.gz GMJWVJQDOVWVSX-OAHLLOKOSA-N 1 0 374.437 2.856 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CCC(=O)N3)CC2)cc1Br ZINC001237684469 1043311026 /nfs/dbraw/zinc/31/10/26/1043311026.db2.gz KZUSNFNHPCARHY-UHFFFAOYSA-N 1 0 353.260 2.708 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001237686298 1043312676 /nfs/dbraw/zinc/31/26/76/1043312676.db2.gz KCLHBLSFJGXWQE-UHFFFAOYSA-N 1 0 363.845 2.786 20 10 FFCDRO CC(C)[N@@H+]1CCN(Cc2cccc(I)c2O)C[C@@H]1C ZINC001237788873 1043359879 /nfs/dbraw/zinc/35/98/79/1043359879.db2.gz POFZXUDSMCKIFC-LBPRGKRZSA-N 1 0 374.266 2.911 20 10 FFCDRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001237800389 1043366755 /nfs/dbraw/zinc/36/67/55/1043366755.db2.gz NUCXIPQSJCELAM-CHWSQXEVSA-N 1 0 364.804 2.982 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCN(COCCOC)C3)C2)c(O)c1 ZINC001279663819 1043425133 /nfs/dbraw/zinc/42/51/33/1043425133.db2.gz GKJKHFZXRONZIT-OAQYLSRUSA-N 1 0 362.514 2.863 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001279668271 1043435135 /nfs/dbraw/zinc/43/51/35/1043435135.db2.gz WCTYHOZSRJIWMA-UHFFFAOYSA-N 1 0 356.470 2.530 20 10 FFCDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@H]2C1 ZINC001237937290 1043443135 /nfs/dbraw/zinc/44/31/35/1043443135.db2.gz OJKIDEXORBXHTA-CNDDSTCGSA-N 1 0 352.837 2.921 20 10 FFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(I)cc1O ZINC001279676676 1043448849 /nfs/dbraw/zinc/44/88/49/1043448849.db2.gz LNBJUOVKNRLDPT-AGUYFDCRSA-N 1 0 372.250 2.712 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2)N1CCCC12CC2 ZINC001279727690 1043539862 /nfs/dbraw/zinc/53/98/62/1043539862.db2.gz SSKMGCJTHIJXCK-MRXNPFEDSA-N 1 0 356.466 2.855 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)ccc1N(C)C ZINC001279735757 1043556329 /nfs/dbraw/zinc/55/63/29/1043556329.db2.gz VHBGGZBPCGXGFM-CEQLMSFQSA-N 1 0 353.510 2.917 20 10 FFCDRO Cc1cc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)N2CC=CC2)ccc1N(C)C ZINC001279735685 1043556449 /nfs/dbraw/zinc/55/64/49/1043556449.db2.gz SLYBDXLYSGPWEW-GOSISDBHSA-N 1 0 371.550 2.767 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cn[nH]c3)CC2)cc1 ZINC001279743070 1043571338 /nfs/dbraw/zinc/57/13/38/1043571338.db2.gz GENXHWQGXBXJLU-GOSISDBHSA-N 1 0 353.470 2.717 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)cc1 ZINC001279743504 1043571856 /nfs/dbraw/zinc/57/18/56/1043571856.db2.gz LUJCDRFXXRQJEO-FRVUEHSBSA-N 1 0 359.489 2.971 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CCCCO3)C2)cc1 ZINC001279747834 1043580248 /nfs/dbraw/zinc/58/02/48/1043580248.db2.gz CYKMNLLGZVOUMK-IBGZPJMESA-N 1 0 357.498 2.909 20 10 FFCDRO CCN(C(=O)[C@H]1CCSC12C[NH+](Cc1ccc(O)cc1O)C2)C(C)C ZINC001279845064 1043762390 /nfs/dbraw/zinc/76/23/90/1043762390.db2.gz CJDGQFXAFINIJR-MRXNPFEDSA-N 1 0 364.511 2.662 20 10 FFCDRO CC(C)[NH+]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC001310900126 1043762507 /nfs/dbraw/zinc/76/25/07/1043762507.db2.gz JMLKIWMSXHVMNO-UHFFFAOYSA-N 1 0 364.453 2.954 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)ccc21 ZINC001311726950 1043967749 /nfs/dbraw/zinc/96/77/49/1043967749.db2.gz DZTNTOOIZSVPRN-LJQANCHMSA-N 1 0 358.530 2.989 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)NC4CCC(F)CC4)(C2)C3)c(O)c1 ZINC001279981134 1044027753 /nfs/dbraw/zinc/02/77/53/1044027753.db2.gz UZPCKOMPXMVFAW-UHFFFAOYSA-N 1 0 362.445 2.810 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2nccn2C)c(O)c1 ZINC001280047492 1044136163 /nfs/dbraw/zinc/13/61/63/1044136163.db2.gz LWEHAFKRUDKDEJ-ALXJQNPVSA-N 1 0 354.454 2.531 20 10 FFCDRO O=c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)ccn1Cc1cccc(F)c1 ZINC001240491630 1044368491 /nfs/dbraw/zinc/36/84/91/1044368491.db2.gz MPYMATZGXXTPQY-UHFFFAOYSA-N 1 0 364.424 2.507 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cn[nH]c3)CC2)c1O ZINC001280345789 1044634020 /nfs/dbraw/zinc/63/40/20/1044634020.db2.gz DQGZFCZXRRNNID-KRWDZBQOSA-N 1 0 354.454 2.973 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000725849617 1044672294 /nfs/dbraw/zinc/67/22/94/1044672294.db2.gz RVKYJSWSHNFKEW-CQSZACIVSA-N 1 0 362.474 2.978 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001539236313 1070594012 /nfs/dbraw/zinc/59/40/12/1070594012.db2.gz RLJAWDUXMXMQEH-QGZVFWFLSA-N 1 0 363.502 2.593 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCSCC(F)(F)F)cc2F)CC1 ZINC001319831697 1045281052 /nfs/dbraw/zinc/28/10/52/1045281052.db2.gz GYZJLIRZVDBUBU-UHFFFAOYSA-N 1 0 365.440 2.963 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccc(F)cc32)[NH+](C)C)cc1 ZINC001539707328 1070685263 /nfs/dbraw/zinc/68/52/63/1070685263.db2.gz PZVWCIDMBAHNKK-WOJBJXKFSA-N 1 0 355.457 2.951 20 10 FFCDRO CC[C@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(C)cc1O ZINC001321541390 1045700158 /nfs/dbraw/zinc/70/01/58/1045700158.db2.gz CCLMNLIVRYLIMI-UWJYYQICSA-N 1 0 367.449 2.996 20 10 FFCDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001323780057 1045722015 /nfs/dbraw/zinc/72/20/15/1045722015.db2.gz KZFIKKPLIDHCBB-UHFFFAOYSA-N 1 0 369.488 2.600 20 10 FFCDRO O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001324139428 1045886128 /nfs/dbraw/zinc/88/61/28/1045886128.db2.gz BSKXYAUHSDYVRL-HNNXBMFYSA-N 1 0 372.812 2.716 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]3CCCC[C@H]3C1)cc2=O ZINC001322738938 1046204274 /nfs/dbraw/zinc/20/42/74/1046204274.db2.gz OMGCSSROFPTCIS-KBPBESRZSA-N 1 0 358.442 2.624 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C[NH3+])o2)cc1 ZINC001326751352 1047068584 /nfs/dbraw/zinc/06/85/84/1047068584.db2.gz JGGJIBHZTAUJHF-SFHVURJKSA-N 1 0 357.454 2.626 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H](C)C[C@H]3n3cncn3)C2)cc1 ZINC001328097560 1048176114 /nfs/dbraw/zinc/17/61/14/1048176114.db2.gz LYDSGWNUTICYCS-XAMWDVODSA-N 1 0 355.486 2.885 20 10 FFCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC001329155739 1048599470 /nfs/dbraw/zinc/59/94/70/1048599470.db2.gz DVEAGVQHFCFKMS-GUYCJALGSA-N 1 0 366.255 2.729 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000828353089 1048601186 /nfs/dbraw/zinc/60/11/86/1048601186.db2.gz JNOHIAXRORUATL-SFHVURJKSA-N 1 0 367.493 2.740 20 10 FFCDRO CC(C)N1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000738440653 1048683708 /nfs/dbraw/zinc/68/37/08/1048683708.db2.gz WTDOZAMCYQIKAY-INIZCTEOSA-N 1 0 360.458 2.684 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3COc4ccc(OC)cc4C3)C2)cc1 ZINC001329574379 1048784586 /nfs/dbraw/zinc/78/45/86/1048784586.db2.gz SJNIJGHJCIOYQO-DLBZAZTESA-N 1 0 354.450 2.876 20 10 FFCDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC001330235832 1049096917 /nfs/dbraw/zinc/09/69/17/1049096917.db2.gz CTMADKQWYVHPFQ-GFCCVEGCSA-N 1 0 353.260 2.645 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@H]3O)cc2F)CC1 ZINC001330532991 1049192765 /nfs/dbraw/zinc/19/27/65/1049192765.db2.gz JFDZGGNLYZHSKK-YFVAEKQCSA-N 1 0 361.505 2.703 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000742411015 1049890119 /nfs/dbraw/zinc/89/01/19/1049890119.db2.gz HUZNJDZFIDTHGK-IMYJRCGGSA-N 1 0 361.442 2.948 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)COc2ccc(CCC[NH3+])cc2)c1 ZINC001340199697 1050608415 /nfs/dbraw/zinc/60/84/15/1050608415.db2.gz LUYXPOSFSBBAKP-AWEZNQCLSA-N 1 0 358.438 2.548 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NCC[C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC001342239137 1050829929 /nfs/dbraw/zinc/82/99/29/1050829929.db2.gz RLUNATXSAMHFGJ-CQSZACIVSA-N 1 0 358.511 2.826 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@]34CC[NH2+]C4)ccc21 ZINC001342275997 1050867146 /nfs/dbraw/zinc/86/71/46/1050867146.db2.gz SPXVXURKNXKKPH-NRFANRHFSA-N 1 0 355.482 2.873 20 10 FFCDRO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001303226212 1051307761 /nfs/dbraw/zinc/30/77/61/1051307761.db2.gz ZENFQRMKLWXLCQ-KRWDZBQOSA-N 1 0 354.450 2.669 20 10 FFCDRO c1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)nc(N2CCOCC2)c1 ZINC001342931932 1051543317 /nfs/dbraw/zinc/54/33/17/1051543317.db2.gz NYANDSRADABBDO-UHFFFAOYSA-N 1 0 352.482 2.808 20 10 FFCDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001308234630 1052434837 /nfs/dbraw/zinc/43/48/37/1052434837.db2.gz RCDFPRFYUVVUBZ-WIYYLYMNSA-N 1 0 361.530 2.755 20 10 FFCDRO CN(C)c1nc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC001308255852 1052437381 /nfs/dbraw/zinc/43/73/81/1052437381.db2.gz VVCAZBZOQNPEIY-UHFFFAOYSA-N 1 0 360.527 2.503 20 10 FFCDRO COC(=O)c1c(CN2CC[C@@H]([NH+]3CCCC3)C2)c2cc(F)ccc2n1C ZINC001308595825 1052475236 /nfs/dbraw/zinc/47/52/36/1052475236.db2.gz DGEFWXVLZNWXTM-OAHLLOKOSA-N 1 0 359.445 2.774 20 10 FFCDRO CN1CCC(CCO)([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001308672298 1052484542 /nfs/dbraw/zinc/48/45/42/1052484542.db2.gz OKGJKGCYTITCST-UHFFFAOYSA-N 1 0 370.493 2.908 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1Cl ZINC001335133037 1053228079 /nfs/dbraw/zinc/22/80/79/1053228079.db2.gz BYLPHEVQTXFZHR-OAHLLOKOSA-N 1 0 373.888 2.804 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001335441173 1053365821 /nfs/dbraw/zinc/36/58/21/1053365821.db2.gz MOWHPQQBHUFENJ-SJLPKXTDSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@@]12CN(C(=O)NCc3ccc(N)cc3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC001335737385 1053531394 /nfs/dbraw/zinc/53/13/94/1053531394.db2.gz OTEFRBGFGUVOPX-SIKLNZKXSA-N 1 0 364.493 2.932 20 10 FFCDRO CC[C@H](C)n1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001347351176 1053877562 /nfs/dbraw/zinc/87/75/62/1053877562.db2.gz HNIOUIAKGJQMTP-HNAYVOBHSA-N 1 0 357.502 2.953 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337005367 1054404971 /nfs/dbraw/zinc/40/49/71/1054404971.db2.gz YYRNDNKOLYEHIT-DYESRHJHSA-N 1 0 367.449 2.790 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC001349074828 1055077870 /nfs/dbraw/zinc/07/78/70/1055077870.db2.gz HLFWHHBWRYAFBS-ICSRJNTNSA-N 1 0 359.514 2.792 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001337892071 1055087388 /nfs/dbraw/zinc/08/73/88/1055087388.db2.gz BDDXKPJRWQOKPV-OAQYLSRUSA-N 1 0 356.514 2.962 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc([S@](C)=O)cc2)N(C)C)cc1 ZINC001352109783 1055195914 /nfs/dbraw/zinc/19/59/14/1055195914.db2.gz AATXLEQYTCRCNI-CPJSRVTESA-N 1 0 359.539 2.883 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)c1O ZINC000848893465 1055314813 /nfs/dbraw/zinc/31/48/13/1055314813.db2.gz DMYOTFVFLLGINS-UHFFFAOYSA-N 1 0 372.465 2.720 20 10 FFCDRO COC[C@H](COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC001350064534 1055602631 /nfs/dbraw/zinc/60/26/31/1055602631.db2.gz CQAKPXZZXOVKFD-MRXNPFEDSA-N 1 0 374.481 2.612 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])Cc2ccc3cc[nH]c3c2)cc1 ZINC001357488491 1055921818 /nfs/dbraw/zinc/92/18/18/1055921818.db2.gz ZVFPYUDOJKZNPG-LJQANCHMSA-N 1 0 350.466 2.762 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC001351511020 1056301375 /nfs/dbraw/zinc/30/13/75/1056301375.db2.gz KDTADGIKIPXNHV-BLLLJJGKSA-N 1 0 370.287 2.812 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC001353679167 1056630194 /nfs/dbraw/zinc/63/01/94/1056630194.db2.gz VGIFNYHDSAHYAX-UHFFFAOYSA-N 1 0 352.482 2.844 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C(=O)NC3CC3)c3ccccc3)C2)cc1 ZINC000849321267 1056827341 /nfs/dbraw/zinc/82/73/41/1056827341.db2.gz ATTHGJICNDHAMP-RXVVDRJESA-N 1 0 365.477 2.883 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2C)cc1 ZINC001353860855 1058297716 /nfs/dbraw/zinc/29/77/16/1058297716.db2.gz KJIOYFRHKHVXBS-FQEVSTJZSA-N 1 0 353.466 2.927 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001449791115 1058941002 /nfs/dbraw/zinc/94/10/02/1058941002.db2.gz AHPTVSFHSYFJLO-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO Cc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c(C)n1-c1ccccn1 ZINC001454285684 1059486900 /nfs/dbraw/zinc/48/69/00/1059486900.db2.gz LJHLMADYVZYFDA-NHCUHLMSSA-N 1 0 352.482 2.903 20 10 FFCDRO Cc1cc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001454626968 1059584447 /nfs/dbraw/zinc/58/44/47/1059584447.db2.gz UDIYNZYVUKZANU-KRWDZBQOSA-N 1 0 369.509 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3N)cc2)CC1 ZINC001455229188 1059734837 /nfs/dbraw/zinc/73/48/37/1059734837.db2.gz YGIDMVWQDREFPZ-UHFFFAOYSA-N 1 0 358.873 2.604 20 10 FFCDRO CCOCCOC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001461890674 1061437627 /nfs/dbraw/zinc/43/76/27/1061437627.db2.gz VTKQXUDOSDJZSU-UHFFFAOYSA-N 1 0 362.514 2.665 20 10 FFCDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001462045127 1061486347 /nfs/dbraw/zinc/48/63/47/1061486347.db2.gz CGJVHPRQYDQAEF-UHFFFAOYSA-N 1 0 366.870 2.875 20 10 FFCDRO O=C(NC/C=C\Cl)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001478230295 1061948483 /nfs/dbraw/zinc/94/84/83/1061948483.db2.gz IEFJJKZOUADHPV-QPIMQUGISA-N 1 0 362.905 2.770 20 10 FFCDRO CN(C)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001463278795 1062029682 /nfs/dbraw/zinc/02/96/82/1062029682.db2.gz GZYJCCMUKQYPBG-FQEVSTJZSA-N 1 0 354.498 2.851 20 10 FFCDRO COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1F ZINC001463279523 1062031401 /nfs/dbraw/zinc/03/14/01/1062031401.db2.gz IXMMTYSTSPRNLH-SFHVURJKSA-N 1 0 359.445 2.933 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)nc(C)c3)cc2F)CC1 ZINC001435072873 1062388990 /nfs/dbraw/zinc/38/89/90/1062388990.db2.gz DFHCOEMQNPLKQW-UHFFFAOYSA-N 1 0 370.472 2.909 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CSc3ccc(F)cc3)cc2)CC1 ZINC001438888269 1063064810 /nfs/dbraw/zinc/06/48/10/1063064810.db2.gz TVEYIBHONPZBOO-UHFFFAOYSA-N 1 0 373.497 2.986 20 10 FFCDRO CC(C)Oc1ncccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001438897400 1063068467 /nfs/dbraw/zinc/06/84/67/1063068467.db2.gz DHNFITRXOSENKB-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO COc1cccc(F)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439960131 1063240088 /nfs/dbraw/zinc/24/00/88/1063240088.db2.gz JTIASNCRUFHHTR-KRWDZBQOSA-N 1 0 359.445 2.933 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001497638786 1063737273 /nfs/dbraw/zinc/73/72/73/1063737273.db2.gz HMAYKHNAYQYBKM-UUBHHLDFSA-N 1 0 358.482 2.581 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC001468729383 1064028587 /nfs/dbraw/zinc/02/85/87/1064028587.db2.gz XNFRQGNQWRAYIZ-WMZOPIPTSA-N 1 0 362.493 2.908 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2C[N@H+](C)CC2(C)C)CCCC1 ZINC001472029334 1064899840 /nfs/dbraw/zinc/89/98/40/1064899840.db2.gz OJIPBZYVGRCCOL-FQEVSTJZSA-N 1 0 369.509 2.985 20 10 FFCDRO O=C(NCCC[NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(O)c1 ZINC001473971342 1065429067 /nfs/dbraw/zinc/42/90/67/1065429067.db2.gz KIMYYIHTXWZUTL-UHFFFAOYSA-N 1 0 353.466 2.902 20 10 FFCDRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474510624 1065539981 /nfs/dbraw/zinc/53/99/81/1065539981.db2.gz MRNNPSBTRZQIDZ-HZPDHXFCSA-N 1 0 368.861 2.915 20 10 FFCDRO COc1c(O)c(CN(CC[NH3+])c2ccc3ccccc3n2)ccc1[N+](=O)[O-] ZINC001474584219 1065554685 /nfs/dbraw/zinc/55/46/85/1065554685.db2.gz GOXCNGKUBVIYMK-UHFFFAOYSA-N 1 0 368.393 2.823 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC001474699009 1065584887 /nfs/dbraw/zinc/58/48/87/1065584887.db2.gz GUGSUTSJGMAEDC-SBHAEUEKSA-N 1 0 373.541 2.693 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC001578424635 1078472854 /nfs/dbraw/zinc/47/28/54/1078472854.db2.gz PUZVVKDNMDPSCE-PZJWPPBQSA-N 1 0 353.466 2.575 20 10 FFCDRO O=C([C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC001580484212 1078813873 /nfs/dbraw/zinc/81/38/73/1078813873.db2.gz GCNCIUUCQBZEDH-HNNXBMFYSA-N 1 0 350.365 2.759 20 10 FFCDRO c1ccc(CN2CCc3cc(CNC[C@@H]4C[NH2+]CCCO4)ccc32)cc1 ZINC001580892696 1078888328 /nfs/dbraw/zinc/88/83/28/1078888328.db2.gz CHUGFALWRCBWPO-NRFANRHFSA-N 1 0 351.494 2.717 20 10 FFCDRO COc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1O ZINC001558722786 1076063306 /nfs/dbraw/zinc/06/33/06/1076063306.db2.gz CGAYKTYUEIFTGH-GOSISDBHSA-N 1 0 371.481 2.808 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)cc1OC ZINC001560703600 1076292899 /nfs/dbraw/zinc/29/28/99/1076292899.db2.gz YHRCCLJMPMJBHO-UHFFFAOYSA-N 1 0 366.458 2.946 20 10 FFCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590260421 1081129336 /nfs/dbraw/zinc/12/93/36/1081129336.db2.gz QTUYPEFSPVQJCZ-GJZGRUSLSA-N 1 0 358.490 2.735 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000377233464 512179062 /nfs/dbraw/zinc/17/90/62/512179062.db2.gz SULJIQHZCGXEDO-INIZCTEOSA-N 1 0 368.412 2.903 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000373219576 512226410 /nfs/dbraw/zinc/22/64/10/512226410.db2.gz XTFKCBFESVAXOC-DOMZBBRYSA-N 1 0 367.287 2.954 20 10 FFCDRO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc2c(cc1O)OCO2 ZINC000007100288 506533584 /nfs/dbraw/zinc/53/35/84/506533584.db2.gz MDNQYDHTZBCYFY-UHFFFAOYSA-N 1 0 372.421 2.980 20 10 FFCDRO C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054408453 506555740 /nfs/dbraw/zinc/55/57/40/506555740.db2.gz CZOCAFAZKSAJPY-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C(=O)NCc1ccco1 ZINC000111399333 508097015 /nfs/dbraw/zinc/09/70/15/508097015.db2.gz HQHPQNWUDREXBF-JTQLQIEISA-N 1 0 353.216 2.542 20 10 FFCDRO COc1cccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000093740662 508153631 /nfs/dbraw/zinc/15/36/31/508153631.db2.gz AEKRAYDMMYHUJY-UHFFFAOYSA-N 1 0 354.406 2.916 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccncc3)CC2)cc1 ZINC000156410864 508416101 /nfs/dbraw/zinc/41/61/01/508416101.db2.gz XGYRZJKTCJODLT-SFHVURJKSA-N 1 0 354.498 2.953 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000152527540 508464201 /nfs/dbraw/zinc/46/42/01/508464201.db2.gz HKJJABSPLJSMFU-JXFKEZNVSA-N 1 0 374.456 2.753 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC[C@@H]21 ZINC000118952198 508694526 /nfs/dbraw/zinc/69/45/26/508694526.db2.gz LCWVAEDCBVCAMK-ICSRJNTNSA-N 1 0 354.498 2.689 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1OC ZINC000159520299 508853112 /nfs/dbraw/zinc/85/31/12/508853112.db2.gz AFEAOVVOIKORSC-UHFFFAOYSA-N 1 0 368.437 2.832 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1OC ZINC000159963834 508918340 /nfs/dbraw/zinc/91/83/40/508918340.db2.gz MXZKUINQUINXPG-UHFFFAOYSA-N 1 0 363.845 2.780 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1 ZINC000185498553 509206792 /nfs/dbraw/zinc/20/67/92/509206792.db2.gz UTGVVQOYHGWOCL-JTQLQIEISA-N 1 0 356.348 2.972 20 10 FFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000186111070 509528759 /nfs/dbraw/zinc/52/87/59/509528759.db2.gz RXWYMEURRJHMCC-CMPLNLGQSA-N 1 0 356.264 2.609 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)c1 ZINC000179888539 509660160 /nfs/dbraw/zinc/66/01/60/509660160.db2.gz SJVWAYGHXLCZIY-UGSOOPFHSA-N 1 0 356.422 2.866 20 10 FFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000186449459 509714064 /nfs/dbraw/zinc/71/40/64/509714064.db2.gz OGJHGHWFTFLSCR-ZBFHGGJFSA-N 1 0 365.449 2.544 20 10 FFCDRO O=C(Oc1ccccc1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000265751238 510209095 /nfs/dbraw/zinc/20/90/95/510209095.db2.gz XALLTLAHFGNFOD-UHFFFAOYSA-N 1 0 370.405 2.828 20 10 FFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000266142357 510431128 /nfs/dbraw/zinc/43/11/28/510431128.db2.gz HQHXEKALAYGSFY-UHFFFAOYSA-N 1 0 359.422 2.675 20 10 FFCDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246513562 510531103 /nfs/dbraw/zinc/53/11/03/510531103.db2.gz QTOYVKZPVPRRGT-ZIAGYGMSSA-N 1 0 353.413 2.515 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185122925 510697297 /nfs/dbraw/zinc/69/72/97/510697297.db2.gz DGWKKIBRDDXKLV-QWHCGFSZSA-N 1 0 364.467 2.721 20 10 FFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000282326167 510932487 /nfs/dbraw/zinc/93/24/87/510932487.db2.gz AJNUIZXOOXSXGG-INIZCTEOSA-N 1 0 354.516 2.666 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)C[N@@H+]1C1CC1 ZINC000277613655 510967083 /nfs/dbraw/zinc/96/70/83/510967083.db2.gz VWCLQSQGPXVKTG-CMPLNLGQSA-N 1 0 368.275 2.579 20 10 FFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Br)ccc1O ZINC000278819977 511007885 /nfs/dbraw/zinc/00/78/85/511007885.db2.gz XWDJJAOATGQAGT-ZDUSSCGKSA-N 1 0 369.303 2.840 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297689221 511035362 /nfs/dbraw/zinc/03/53/62/511035362.db2.gz LVBOQEOVHQTAAG-GUYCJALGSA-N 1 0 360.479 2.981 20 10 FFCDRO COc1cccc(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)c1O ZINC000289376469 511099721 /nfs/dbraw/zinc/09/97/21/511099721.db2.gz BTKUYCKVXRTDLP-UHFFFAOYSA-N 1 0 359.348 2.674 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)ccc1OC ZINC000282909663 511159158 /nfs/dbraw/zinc/15/91/58/511159158.db2.gz UXJQWIHHGDWXHD-FXAWDEMLSA-N 1 0 363.498 2.889 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000362642266 511209572 /nfs/dbraw/zinc/20/95/72/511209572.db2.gz RYYFXRKRIRKAMS-XJKSGUPXSA-N 1 0 372.259 2.591 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298709021 511382972 /nfs/dbraw/zinc/38/29/72/511382972.db2.gz GFKYLBSNNIXWDE-OTWHNJEPSA-N 1 0 373.497 2.710 20 10 FFCDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272165666 511452349 /nfs/dbraw/zinc/45/23/49/511452349.db2.gz VZRAMXHIUOOEQO-WBMJQRKESA-N 1 0 356.392 2.587 20 10 FFCDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272165662 511452445 /nfs/dbraw/zinc/45/24/45/511452445.db2.gz VZRAMXHIUOOEQO-LRDDRELGSA-N 1 0 356.392 2.587 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000295646450 511470810 /nfs/dbraw/zinc/47/08/10/511470810.db2.gz YYJRNVWRIBFZMO-IBGZPJMESA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000273617812 511552971 /nfs/dbraw/zinc/55/29/71/511552971.db2.gz YAPZPCFOJIYHGN-YRISNDGFSA-N 1 0 370.493 2.934 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000273617805 511553141 /nfs/dbraw/zinc/55/31/41/511553141.db2.gz YAPZPCFOJIYHGN-CDXJDZJCSA-N 1 0 370.493 2.934 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCc4cc[nH]c(=O)c4C3)cc2)CC1 ZINC000296044287 511600461 /nfs/dbraw/zinc/60/04/61/511600461.db2.gz QBOFZLUDXZMYGQ-UHFFFAOYSA-N 1 0 353.466 2.961 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000301720886 511701341 /nfs/dbraw/zinc/70/13/41/511701341.db2.gz MKYLOFGFQFEEDH-DODUIYEKSA-N 1 0 359.426 2.702 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1F ZINC000274082325 511714216 /nfs/dbraw/zinc/71/42/16/511714216.db2.gz NTDFLFMKZAAVON-UHFFFAOYSA-N 1 0 362.424 2.552 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc(N)c3Cl)cc2F)CC1 ZINC000302874429 511718698 /nfs/dbraw/zinc/71/86/98/511718698.db2.gz DFQDCUWEDGVTDY-UHFFFAOYSA-N 1 0 364.856 2.605 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1OC ZINC000274757672 511931852 /nfs/dbraw/zinc/93/18/52/511931852.db2.gz HOXXRRSOIGOWKG-UHFFFAOYSA-N 1 0 372.469 2.717 20 10 FFCDRO CCCOc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000274826693 511954753 /nfs/dbraw/zinc/95/47/53/511954753.db2.gz SUBMWRAYAPTIPO-UHFFFAOYSA-N 1 0 357.454 2.702 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000359959668 512057751 /nfs/dbraw/zinc/05/77/51/512057751.db2.gz NDYLCKJTXBWILV-INIZCTEOSA-N 1 0 360.841 2.945 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000378461415 512772280 /nfs/dbraw/zinc/77/22/80/512772280.db2.gz YUFPMUQYRRNLLQ-HOCLYGCPSA-N 1 0 356.260 2.891 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000372281911 512794579 /nfs/dbraw/zinc/79/45/79/512794579.db2.gz KRJQBLSZXLXZPD-KGLIPLIRSA-N 1 0 357.834 2.597 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H]2CCOC2)C1 ZINC000435810327 513689896 /nfs/dbraw/zinc/68/98/96/513689896.db2.gz SHZBQMOXPHNLGH-KRWDZBQOSA-N 1 0 369.509 2.903 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCOC2)C1 ZINC000435871797 513704664 /nfs/dbraw/zinc/70/46/64/513704664.db2.gz UZWPZYDVWNVTBQ-INIZCTEOSA-N 1 0 355.482 2.703 20 10 FFCDRO CO[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444271754 514175024 /nfs/dbraw/zinc/17/50/24/514175024.db2.gz TYUJUZMQHGGKEJ-INIZCTEOSA-N 1 0 355.482 2.655 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000490086617 515098309 /nfs/dbraw/zinc/09/83/09/515098309.db2.gz IVGKDEGLIDWYOG-KRWDZBQOSA-N 1 0 355.482 2.871 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ncc[nH]2)C1 ZINC000555967282 517210610 /nfs/dbraw/zinc/21/06/10/517210610.db2.gz SRIUFAQZPACLRO-UHFFFAOYSA-N 1 0 365.481 2.790 20 10 FFCDRO COc1ccc(CC[NH2+]Cc2cc(Br)cc(OC)c2O)cn1 ZINC000527793813 517917254 /nfs/dbraw/zinc/91/72/54/517917254.db2.gz QRUCTPXELLCCAE-UHFFFAOYSA-N 1 0 367.243 2.899 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1O ZINC000527955418 518010537 /nfs/dbraw/zinc/01/05/37/518010537.db2.gz NZTVLXNQQVTXDF-AOMKIAJQSA-N 1 0 370.493 2.812 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH+](CC(C)C)CC(C)C)CC2)cc1 ZINC000052856022 536681431 /nfs/dbraw/zinc/68/14/31/536681431.db2.gz AWOZYWFDTIOWPQ-UHFFFAOYSA-N 1 0 361.530 2.958 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737098072 598356305 /nfs/dbraw/zinc/35/63/05/598356305.db2.gz BORJDUGQYNBOKI-UHFFFAOYSA-N 1 0 364.453 2.634 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cn4ccnc4s3)SC2=S)CC1 ZINC000899260379 735467427 /nfs/dbraw/zinc/46/74/27/735467427.db2.gz FESFLBWWXNRMRW-WQLSENKSSA-N 1 0 364.521 2.691 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000104192787 728500978 /nfs/dbraw/zinc/50/09/78/728500978.db2.gz FQCJIXQJSKIFRP-INIZCTEOSA-N 1 0 360.527 2.521 20 10 FFCDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121207733 728622079 /nfs/dbraw/zinc/62/20/79/728622079.db2.gz XLSJDOUQQTYYPE-RDJZCZTQSA-N 1 0 352.450 2.509 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000127187599 728705711 /nfs/dbraw/zinc/70/57/11/728705711.db2.gz JQRWOHAWSAXWDZ-UONOGXRCSA-N 1 0 374.934 2.650 20 10 FFCDRO CCN(CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000128267261 728708418 /nfs/dbraw/zinc/70/84/18/728708418.db2.gz CNDVSUGBPMTCCW-QGZVFWFLSA-N 1 0 367.559 2.999 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1F ZINC000132648570 728724975 /nfs/dbraw/zinc/72/49/75/728724975.db2.gz VNGQLAHGYMXILJ-UHFFFAOYSA-N 1 0 354.422 2.594 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000133661470 728727502 /nfs/dbraw/zinc/72/75/02/728727502.db2.gz BQENDNCHQFTMSM-MRXNPFEDSA-N 1 0 350.482 2.669 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000182335413 729275024 /nfs/dbraw/zinc/27/50/24/729275024.db2.gz FIJSLCXVONLNSF-SNVBAGLBSA-N 1 0 350.444 2.665 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)CC1 ZINC000185157835 729343041 /nfs/dbraw/zinc/34/30/41/729343041.db2.gz YMWNFMWWUPZNHD-UHFFFAOYSA-N 1 0 359.495 2.938 20 10 FFCDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cccc(O)c1O ZINC000193065450 729467454 /nfs/dbraw/zinc/46/74/54/729467454.db2.gz YFCMYSHDXNTEJY-UHFFFAOYSA-N 1 0 350.484 2.579 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000779022041 738430076 /nfs/dbraw/zinc/43/00/76/738430076.db2.gz KCHOWRUNNLBPJJ-QWHCGFSZSA-N 1 0 357.292 2.834 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1O ZINC000779022735 738430095 /nfs/dbraw/zinc/43/00/95/738430095.db2.gz XZKDHGGWTCFKOX-QEJZJMRPSA-N 1 0 369.303 2.977 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000246583078 729588141 /nfs/dbraw/zinc/58/81/41/729588141.db2.gz ZODYZBQRHWAXAU-UONOGXRCSA-N 1 0 356.561 2.997 20 10 FFCDRO COC1(OC)CC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924905027 738460913 /nfs/dbraw/zinc/46/09/13/738460913.db2.gz FEOGBLQABSRNIM-MRXNPFEDSA-N 1 0 356.413 2.998 20 10 FFCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2c(O)cccc2Br)C1(C)C ZINC000858158287 730418146 /nfs/dbraw/zinc/41/81/46/730418146.db2.gz DPSUXIKRFBLZGK-HOCLYGCPSA-N 1 0 358.276 2.810 20 10 FFCDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000925054169 738474888 /nfs/dbraw/zinc/47/48/88/738474888.db2.gz COZMTDFFSNJDPK-SFHVURJKSA-N 1 0 350.528 2.836 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000862243581 730680695 /nfs/dbraw/zinc/68/06/95/730680695.db2.gz NNHBRLBJCUQQLP-AWEZNQCLSA-N 1 0 351.441 2.865 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC(F)(F)C1 ZINC000862294403 730686282 /nfs/dbraw/zinc/68/62/82/730686282.db2.gz IFKWYCVEQQWHMN-DZGCQCFKSA-N 1 0 351.441 2.912 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865781230 730996838 /nfs/dbraw/zinc/99/68/38/730996838.db2.gz JEDLDQUXKCBCOV-CQSZACIVSA-N 1 0 356.260 2.830 20 10 FFCDRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000876910496 732295790 /nfs/dbraw/zinc/29/57/90/732295790.db2.gz DFXVSBKNMCFYQL-DLBZAZTESA-N 1 0 360.841 2.674 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c(O)c1 ZINC000877019552 732313375 /nfs/dbraw/zinc/31/33/75/732313375.db2.gz ZKFPIZATHJRSIH-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1O ZINC000880206577 732865570 /nfs/dbraw/zinc/86/55/70/732865570.db2.gz CBAVEBOKBCJCSF-KRWDZBQOSA-N 1 0 366.889 2.981 20 10 FFCDRO Cc1nc(Cl)sc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850657 733120328 /nfs/dbraw/zinc/12/03/28/733120328.db2.gz BDVMQHKTPRIHLB-UHFFFAOYSA-N 1 0 364.902 2.787 20 10 FFCDRO CCOCCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000927088654 738689871 /nfs/dbraw/zinc/68/98/71/738689871.db2.gz RHUDUECSVVLMIJ-OAHLLOKOSA-N 1 0 356.894 2.880 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927146418 738696212 /nfs/dbraw/zinc/69/62/12/738696212.db2.gz NTHOQTYIDGSIIA-WCQYABFASA-N 1 0 365.275 2.881 20 10 FFCDRO CSCCCCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883628740 733414254 /nfs/dbraw/zinc/41/42/54/733414254.db2.gz WOZGSQWNRUIIHD-UHFFFAOYSA-N 1 0 364.559 2.771 20 10 FFCDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000782777057 738754733 /nfs/dbraw/zinc/75/47/33/738754733.db2.gz HOUNWDVQFAZFSZ-KUHUBIRLSA-N 1 0 368.905 2.615 20 10 FFCDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Br)ccc3O)O2)CO1 ZINC000886334631 733775088 /nfs/dbraw/zinc/77/50/88/733775088.db2.gz ZCMDSERGCHQWAY-XFJVYGCCSA-N 1 0 356.260 2.971 20 10 FFCDRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000886732668 733823030 /nfs/dbraw/zinc/82/30/30/733823030.db2.gz NPBYMXLYVNFOBQ-MRXNPFEDSA-N 1 0 365.543 2.752 20 10 FFCDRO O=C(NCC[NH2+]Cc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000731452499 734679342 /nfs/dbraw/zinc/67/93/42/734679342.db2.gz AZFGBWMLYGOYMK-UHFFFAOYSA-N 1 0 367.218 2.813 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000895150593 734969181 /nfs/dbraw/zinc/96/91/81/734969181.db2.gz BUOVHCFIIPVKQE-ZWKOTPCHSA-N 1 0 352.450 2.697 20 10 FFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708306 735044216 /nfs/dbraw/zinc/04/42/16/735044216.db2.gz QMCIDAODXSOQLE-KIUWMYQTSA-N 1 0 350.356 2.825 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722464 735047862 /nfs/dbraw/zinc/04/78/62/735047862.db2.gz WGPHXXCXTKIJHS-AWEZNQCLSA-N 1 0 356.260 2.518 20 10 FFCDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3ccc(Br)cc3O)O2)CO1 ZINC000895819651 735059713 /nfs/dbraw/zinc/05/97/13/735059713.db2.gz YRZWELWDXGJPOH-DIOULYMOSA-N 1 0 356.260 2.971 20 10 FFCDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3ccc(Br)cc3O)O2)CO1 ZINC000895819653 735059760 /nfs/dbraw/zinc/05/97/60/735059760.db2.gz YRZWELWDXGJPOH-DJSGYFEHSA-N 1 0 356.260 2.971 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000741752657 735160546 /nfs/dbraw/zinc/16/05/46/735160546.db2.gz DGAVLFREUFGCIS-OAHLLOKOSA-N 1 0 361.511 2.983 20 10 FFCDRO C[C@]1(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)COC(=O)N1 ZINC000896468060 735166213 /nfs/dbraw/zinc/16/62/13/735166213.db2.gz VUVBJYJXBKBRLF-MRXNPFEDSA-N 1 0 369.259 2.865 20 10 FFCDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000896472104 735167175 /nfs/dbraw/zinc/16/71/75/735167175.db2.gz IPKZMNKEDXMQPA-GHMZBOCLSA-N 1 0 372.259 2.794 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c1O ZINC000896870829 735186422 /nfs/dbraw/zinc/18/64/22/735186422.db2.gz RAUGTBGIABMRRP-UHFFFAOYSA-N 1 0 364.305 2.624 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443418 738891786 /nfs/dbraw/zinc/89/17/86/738891786.db2.gz SBGNWDWGGDZFRW-XNRPHZJLSA-N 1 0 352.862 2.551 20 10 FFCDRO C[C@H]1CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H](C)C1 ZINC000747916481 735603110 /nfs/dbraw/zinc/60/31/10/735603110.db2.gz RTIGJTNXWQWNKO-HZPDHXFCSA-N 1 0 350.528 2.836 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000903236046 736063865 /nfs/dbraw/zinc/06/38/65/736063865.db2.gz YDKWUCDFKZHYCD-ZDUSSCGKSA-N 1 0 364.467 2.550 20 10 FFCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392118 736086668 /nfs/dbraw/zinc/08/66/68/736086668.db2.gz MRTAJBWFNHGKKY-KBXCAEBGSA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(N(C)C)cc1 ZINC000903434188 736094203 /nfs/dbraw/zinc/09/42/03/736094203.db2.gz JVTFYFJQEWHHQH-JSGCOSHPSA-N 1 0 361.877 2.831 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CS[C@H](C(C)C)C3)CC2)cc1 ZINC000754125968 736128890 /nfs/dbraw/zinc/12/88/90/736128890.db2.gz YTJASKWOJHJFLZ-PXNSSMCTSA-N 1 0 363.571 2.937 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(C)s1)cc2=O ZINC000754659009 736184272 /nfs/dbraw/zinc/18/42/72/736184272.db2.gz BPZQQMQXXIIEJI-LLVKDONJSA-N 1 0 360.439 2.832 20 10 FFCDRO CCOCCN1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000754726946 736191361 /nfs/dbraw/zinc/19/13/61/736191361.db2.gz YEIFTYIBPUOMBU-UHFFFAOYSA-N 1 0 350.503 2.852 20 10 FFCDRO CC[NH+]1CCC(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000761119291 736697739 /nfs/dbraw/zinc/69/77/39/736697739.db2.gz JFCZAGZDKLJICK-UHFFFAOYSA-N 1 0 365.861 2.542 20 10 FFCDRO COc1cc(Cl)cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1O ZINC000761190634 736705280 /nfs/dbraw/zinc/70/52/80/736705280.db2.gz FLLXZMVQHRFEIR-MRXNPFEDSA-N 1 0 354.878 2.741 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761316954 736721878 /nfs/dbraw/zinc/72/18/78/736721878.db2.gz FGQQHXMWZMFOGT-HUUCEWRRSA-N 1 0 365.861 2.683 20 10 FFCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764588863 737032929 /nfs/dbraw/zinc/03/29/29/737032929.db2.gz FKJBYSDYGRVFON-CQSZACIVSA-N 1 0 353.894 2.599 20 10 FFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764766159 737047334 /nfs/dbraw/zinc/04/73/34/737047334.db2.gz YFCWZYOSDGKJPX-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO CC[N@H+](CCNC(=O)NCc1cccc(Br)c1O)C(C)C ZINC000764777870 737048567 /nfs/dbraw/zinc/04/85/67/737048567.db2.gz HJRGCADSIGQZAX-UHFFFAOYSA-N 1 0 358.280 2.684 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cccc(Br)c1O ZINC000764781754 737048860 /nfs/dbraw/zinc/04/88/60/737048860.db2.gz XZMKKZLUWAPNFT-NSHDSACASA-N 1 0 358.280 2.684 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765728615 737149522 /nfs/dbraw/zinc/14/95/22/737149522.db2.gz MWLYTHWRUGQFOE-JKSUJKDBSA-N 1 0 367.921 2.548 20 10 FFCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978118 737180001 /nfs/dbraw/zinc/18/00/01/737180001.db2.gz LKXHZGIOTNXCHO-MRXNPFEDSA-N 1 0 362.495 2.625 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1O ZINC000767710813 737358888 /nfs/dbraw/zinc/35/88/88/737358888.db2.gz IHUKNVLJQVAPND-LBPRGKRZSA-N 1 0 355.356 2.759 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000768340606 737414973 /nfs/dbraw/zinc/41/49/73/737414973.db2.gz ABJWIQALFHDUAA-SFHVURJKSA-N 1 0 367.559 2.827 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921670855 738020591 /nfs/dbraw/zinc/02/05/91/738020591.db2.gz LMWQWINTQBGAIF-CQSZACIVSA-N 1 0 360.479 2.771 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775661999 738110256 /nfs/dbraw/zinc/11/02/56/738110256.db2.gz BTQTZASWMAFMEI-UONOGXRCSA-N 1 0 354.878 2.717 20 10 FFCDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000817981606 742226484 /nfs/dbraw/zinc/22/64/84/742226484.db2.gz UAXNKTQMDQREJT-LRDDRELGSA-N 1 0 359.848 2.824 20 10 FFCDRO CC(C)(C)OCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000778390307 738379411 /nfs/dbraw/zinc/37/94/11/738379411.db2.gz NOGKTUZUHSUTAR-OAHLLOKOSA-N 1 0 354.878 2.941 20 10 FFCDRO COC(=O)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000789580770 739369879 /nfs/dbraw/zinc/36/98/79/739369879.db2.gz KOEZHKRSVDTBHH-GOSISDBHSA-N 1 0 359.495 2.504 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000790027867 739408632 /nfs/dbraw/zinc/40/86/32/739408632.db2.gz ZUOCBSILBIVZIW-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CN(C)c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000792971012 739725154 /nfs/dbraw/zinc/72/51/54/739725154.db2.gz XTRMNBQPLFJTQB-CVEARBPZSA-N 1 0 357.420 2.724 20 10 FFCDRO Cc1cc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)ccc1N(C)C ZINC000934755125 739832734 /nfs/dbraw/zinc/83/27/34/739832734.db2.gz KIPOQXIBAYPKAP-RUZDIDTESA-N 1 0 366.575 2.847 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c(O)c1 ZINC000797999458 740297803 /nfs/dbraw/zinc/29/78/03/740297803.db2.gz SDZAHGPLZYQIIQ-CQSZACIVSA-N 1 0 366.458 2.811 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805179551 740947692 /nfs/dbraw/zinc/94/76/92/740947692.db2.gz IAROURBEBMNHAS-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139069 741043031 /nfs/dbraw/zinc/04/30/31/741043031.db2.gz IDSXGRDFSCBHPI-QZTJIDSGSA-N 1 0 350.528 2.836 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000808706700 741254367 /nfs/dbraw/zinc/25/43/67/741254367.db2.gz RLUVYAXCKWVQLW-IUODEOHRSA-N 1 0 362.861 2.934 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000808706430 741254524 /nfs/dbraw/zinc/25/45/24/741254524.db2.gz JZJBOUQQZZGZSP-LRDDRELGSA-N 1 0 352.862 2.785 20 10 FFCDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000809610434 741321242 /nfs/dbraw/zinc/32/12/42/741321242.db2.gz ZWBXAZBSBXDODB-AWEZNQCLSA-N 1 0 361.511 2.695 20 10 FFCDRO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(Br)c1[O-] ZINC000809727169 741337367 /nfs/dbraw/zinc/33/73/67/741337367.db2.gz FCCJIRVSAFOKEM-UHFFFAOYSA-N 1 0 372.351 2.860 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000809785531 741343663 /nfs/dbraw/zinc/34/36/63/741343663.db2.gz VWCQJIUIVRCEBV-INIZCTEOSA-N 1 0 368.543 2.891 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCSC3)cc2F)CC1 ZINC000810362116 741411437 /nfs/dbraw/zinc/41/14/37/741411437.db2.gz QFVSVJUIHZLTMH-INIZCTEOSA-N 1 0 365.518 2.727 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811514722 741532814 /nfs/dbraw/zinc/53/28/14/741532814.db2.gz PIFALGIYKKFECE-GFCCVEGCSA-N 1 0 360.376 2.681 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000815563732 741945677 /nfs/dbraw/zinc/94/56/77/741945677.db2.gz MLDLUMXSLJIONV-MRXNPFEDSA-N 1 0 362.495 2.779 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CC[N@@H+]1CCO ZINC000824215631 743039277 /nfs/dbraw/zinc/03/92/77/743039277.db2.gz QPIJPQQHMXVPJC-QGZVFWFLSA-N 1 0 359.539 2.883 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000824454339 743082315 /nfs/dbraw/zinc/08/23/15/743082315.db2.gz DGGKHIMIGUWXDQ-LBPRGKRZSA-N 1 0 369.259 2.737 20 10 FFCDRO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c2ccccc21 ZINC000824516628 743098214 /nfs/dbraw/zinc/09/82/14/743098214.db2.gz MSRRTJYMIRSRDV-NSHDSACASA-N 1 0 355.818 2.845 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c(C(F)(F)F)c1 ZINC000824582832 743111171 /nfs/dbraw/zinc/11/11/71/743111171.db2.gz CAWWVDPGRGCBLE-HNNXBMFYSA-N 1 0 359.436 2.708 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(OCCOC(C)C)CC2)cc1OC ZINC000825207501 743228749 /nfs/dbraw/zinc/22/87/49/743228749.db2.gz KJSOBKCUMCIEHJ-UHFFFAOYSA-N 1 0 353.459 2.815 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825290889 743242964 /nfs/dbraw/zinc/24/29/64/743242964.db2.gz AMAMDKREZXJDSH-CHWSQXEVSA-N 1 0 362.289 2.600 20 10 FFCDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825326223 743248283 /nfs/dbraw/zinc/24/82/83/743248283.db2.gz KLAFKFNEBHSADU-UKRRQHHQSA-N 1 0 366.259 2.898 20 10 FFCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nn1 ZINC000825520096 743288260 /nfs/dbraw/zinc/28/82/60/743288260.db2.gz UOVTUEBCRAXFRE-CYBMUJFWSA-N 1 0 364.833 2.569 20 10 FFCDRO OCC1([C@H]([NH2+]Cc2ccc(Br)cc2O)C2CC2)CCOCC1 ZINC000826016742 743356401 /nfs/dbraw/zinc/35/64/01/743356401.db2.gz LHAVRYVTYJMKTA-MRXNPFEDSA-N 1 0 370.287 2.812 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826130436 743369699 /nfs/dbraw/zinc/36/96/99/743369699.db2.gz IAPSZLACAVRPJW-CABCVRRESA-N 1 0 350.503 2.585 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827133347 743515910 /nfs/dbraw/zinc/51/59/10/743515910.db2.gz SYQCQWJMIPNZOM-SMDDNHRTSA-N 1 0 353.260 2.564 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000828993389 745151807 /nfs/dbraw/zinc/15/18/07/745151807.db2.gz DOVSGUGNFLEOSW-MRXNPFEDSA-N 1 0 356.495 2.530 20 10 FFCDRO CO[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544638 745378077 /nfs/dbraw/zinc/37/80/77/745378077.db2.gz SDNYRYHXIIEFOA-KBRIMQKVSA-N 1 0 366.889 2.941 20 10 FFCDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657532 745399087 /nfs/dbraw/zinc/39/90/87/745399087.db2.gz JAHLTLWZUZCAFG-FZKQIMNGSA-N 1 0 355.429 2.891 20 10 FFCDRO CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665265 745400988 /nfs/dbraw/zinc/40/09/88/745400988.db2.gz SEUVCSRQHJDYIS-KBPBESRZSA-N 1 0 355.429 2.761 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000831052345 745473492 /nfs/dbraw/zinc/47/34/92/745473492.db2.gz RYFPDGUKSBKNCI-CVEARBPZSA-N 1 0 358.511 2.919 20 10 FFCDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)C2=CC(=O)CS2)CCOCC1 ZINC000831594982 745551388 /nfs/dbraw/zinc/55/13/88/745551388.db2.gz HGDZMILKFAEBJA-UHFFFAOYSA-N 1 0 360.479 2.865 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cs2)cc1 ZINC000831845068 745593982 /nfs/dbraw/zinc/59/39/82/745593982.db2.gz UIGBALNRWCPARN-AWEZNQCLSA-N 1 0 356.495 2.530 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000832272307 745669706 /nfs/dbraw/zinc/66/97/06/745669706.db2.gz FBPHGETWGZSZEJ-RBUKOAKNSA-N 1 0 355.507 2.899 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSCc2ccc(F)cc2)cc1 ZINC000832285756 745671910 /nfs/dbraw/zinc/67/19/10/745671910.db2.gz UBAYVUZWDXPXBC-SFHVURJKSA-N 1 0 361.486 2.941 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000833566113 745788248 /nfs/dbraw/zinc/78/82/48/745788248.db2.gz QZMSNTDZMMNVND-MRXNPFEDSA-N 1 0 361.511 2.732 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1O ZINC000834851466 745914694 /nfs/dbraw/zinc/91/46/94/745914694.db2.gz XSUFEDRYDFGTGM-UKRRQHHQSA-N 1 0 371.319 2.961 20 10 FFCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000835046287 745939215 /nfs/dbraw/zinc/93/92/15/745939215.db2.gz QALKZMHOWLWRBM-ABCZVMIZSA-N 1 0 355.404 2.766 20 10 FFCDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCCCSc3nccs3)C2)C1 ZINC000838515216 746655987 /nfs/dbraw/zinc/65/59/87/746655987.db2.gz KPPWCKMUAAGEFO-INIZCTEOSA-N 1 0 354.545 2.753 20 10 FFCDRO O[C@H]1COCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839124280 746781154 /nfs/dbraw/zinc/78/11/54/746781154.db2.gz WDNZIZNTEHDXSR-OAHLLOKOSA-N 1 0 369.303 2.633 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000839173606 746793264 /nfs/dbraw/zinc/79/32/64/746793264.db2.gz OMTYXVNZGWXJDW-HNNXBMFYSA-N 1 0 355.862 2.859 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+]C3(CO)CCSCC3)cc2)CC1 ZINC000839180865 746796216 /nfs/dbraw/zinc/79/62/16/746796216.db2.gz TYIRLEWJGXPSBB-UHFFFAOYSA-N 1 0 350.528 2.650 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000840929040 747230588 /nfs/dbraw/zinc/23/05/88/747230588.db2.gz LYLYNNHSSVJBQC-UHFFFAOYSA-N 1 0 361.511 2.601 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000840975193 747248723 /nfs/dbraw/zinc/24/87/23/747248723.db2.gz DTURPXQURHLZMZ-WDYCEAGBSA-N 1 0 352.544 2.937 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ncc(Br)s2)cc1 ZINC000841045865 747260709 /nfs/dbraw/zinc/26/07/09/747260709.db2.gz RQODPAULEALVNT-LBPRGKRZSA-N 1 0 355.305 2.761 20 10 FFCDRO [NH3+]CCOc1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000841284934 747312821 /nfs/dbraw/zinc/31/28/21/747312821.db2.gz MORVQTGIZWNMAT-UHFFFAOYSA-N 1 0 352.485 2.785 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000841335911 747319538 /nfs/dbraw/zinc/31/95/38/747319538.db2.gz XJFCADAKCIILPP-HNNXBMFYSA-N 1 0 360.424 2.954 20 10 FFCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707650 747437635 /nfs/dbraw/zinc/43/76/35/747437635.db2.gz WYRNDCPJVSTSFC-DOTOQJQBSA-N 1 0 362.543 2.509 20 10 FFCDRO C[NH2+]CCC1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000841849361 747475774 /nfs/dbraw/zinc/47/57/74/747475774.db2.gz OKLVRHDTIRZBON-UHFFFAOYSA-N 1 0 358.511 2.778 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841986475 747497357 /nfs/dbraw/zinc/49/73/57/747497357.db2.gz NNKDNTCNNMFJFQ-BXUZGUMPSA-N 1 0 370.291 2.827 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)CCC[NH3+] ZINC000842000646 747499241 /nfs/dbraw/zinc/49/92/41/747499241.db2.gz YYGCBVLURQICHL-LLVKDONJSA-N 1 0 358.280 2.814 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003156 747500216 /nfs/dbraw/zinc/50/02/16/747500216.db2.gz IMLLUPIYKRBPMO-INIZCTEOSA-N 1 0 354.445 2.670 20 10 FFCDRO Cc1ccc(/C=C/S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842785555 747687196 /nfs/dbraw/zinc/68/71/96/747687196.db2.gz UTAACTCAXLSDQT-JXOMPUQVSA-N 1 0 359.495 2.651 20 10 FFCDRO Cc1ccc(C(=O)CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000844163304 747982564 /nfs/dbraw/zinc/98/25/64/747982564.db2.gz YINMWKLFORQFQB-MRXNPFEDSA-N 1 0 359.495 2.902 20 10 FFCDRO CC(C)[N@@H+]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000844204008 747987446 /nfs/dbraw/zinc/98/74/46/747987446.db2.gz JWXMMEQTLAJBKT-UHFFFAOYSA-N 1 0 358.511 2.872 20 10 FFCDRO COCC[NH2+]C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000844900507 748131328 /nfs/dbraw/zinc/13/13/28/748131328.db2.gz QARFNZANVDZMGI-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1O ZINC000846139556 748414719 /nfs/dbraw/zinc/41/47/19/748414719.db2.gz VMRGSMRHYCAJNR-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000846209417 748431319 /nfs/dbraw/zinc/43/13/19/748431319.db2.gz RCYYJQCWAPGVOJ-RYUDHWBXSA-N 1 0 355.276 2.982 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000846232235 748436123 /nfs/dbraw/zinc/43/61/23/748436123.db2.gz WEPZFZIUBZAEGB-MRXNPFEDSA-N 1 0 371.865 2.523 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000847314121 748674501 /nfs/dbraw/zinc/67/45/01/748674501.db2.gz PRWFOAOTWBVCRQ-IYBDPMFKSA-N 1 0 350.482 2.811 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)NC(C)C)c1O ZINC000848519652 748948188 /nfs/dbraw/zinc/94/81/88/748948188.db2.gz SYYIVXMPEFNBJU-JTQLQIEISA-N 1 0 359.264 2.729 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CCO)CSC)c1O ZINC000848528741 748950805 /nfs/dbraw/zinc/95/08/05/748950805.db2.gz NVKSPSMAKRTROC-MWLCHTKSSA-N 1 0 364.305 2.928 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848528603 748950975 /nfs/dbraw/zinc/95/09/75/748950975.db2.gz NUBAEMISVUGQAF-YPMHNXCESA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000848533654 748951975 /nfs/dbraw/zinc/95/19/75/748951975.db2.gz MEPRMDGPHKVASS-QMTHXVAHSA-N 1 0 374.275 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000848533004 748952258 /nfs/dbraw/zinc/95/22/58/748952258.db2.gz FZKDEZDIPGETNN-QDDONVENSA-N 1 0 364.305 2.971 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1O ZINC000848533939 748952736 /nfs/dbraw/zinc/95/27/36/748952736.db2.gz WMXMQDZUIDCDRV-ZBEGNZNMSA-N 1 0 374.275 2.603 20 10 FFCDRO COc1ccccc1CNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849051545 749042309 /nfs/dbraw/zinc/04/23/09/749042309.db2.gz BOZLQXGSNNOESO-UHFFFAOYSA-N 1 0 364.243 2.977 20 10 FFCDRO COc1cc(C[NH2+]CC(C)(C)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850007644 749282459 /nfs/dbraw/zinc/28/24/59/749282459.db2.gz MAPARWZBZAYLER-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO COC(=O)C[C@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOC1 ZINC000850248812 749327757 /nfs/dbraw/zinc/32/77/57/749327757.db2.gz XDHHVXIIWIIQBO-LJQANCHMSA-N 1 0 351.443 2.510 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850294697 749336418 /nfs/dbraw/zinc/33/64/18/749336418.db2.gz LQEVFPAAWVPLNH-GFCCVEGCSA-N 1 0 355.500 2.754 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000850346232 749346179 /nfs/dbraw/zinc/34/61/79/749346179.db2.gz CUDPOWLANOVSGD-CYBMUJFWSA-N 1 0 366.508 2.529 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)cc2)CC1 ZINC000850507468 749377873 /nfs/dbraw/zinc/37/78/73/749377873.db2.gz OHADQUVLVBOMAX-UXHICEINSA-N 1 0 362.539 2.980 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1O ZINC000850518673 749380091 /nfs/dbraw/zinc/38/00/91/749380091.db2.gz SSIJAMZKLCJXTO-VIFPVBQESA-N 1 0 359.797 2.982 20 10 FFCDRO COCCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C ZINC000386058186 845829746 /nfs/dbraw/zinc/82/97/46/845829746.db2.gz IQCNFDQZSSMWAQ-UHFFFAOYSA-N 1 0 352.475 2.977 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1O ZINC000895680406 970846167 /nfs/dbraw/zinc/84/61/67/970846167.db2.gz LYJSWQGOJHSHRI-JOCHJYFZSA-N 1 0 366.461 2.704 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)c(O)c1OC ZINC000893245018 971086596 /nfs/dbraw/zinc/08/65/96/971086596.db2.gz XYHYMFRTDQWHKN-OAHLLOKOSA-N 1 0 374.412 2.834 20 10 FFCDRO Cc1nccnc1[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896320806 971421008 /nfs/dbraw/zinc/42/10/08/971421008.db2.gz ZPAINPBQZIYHLO-MAUKXSAKSA-N 1 0 370.501 2.514 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275895198 1013153736 /nfs/dbraw/zinc/15/37/36/1013153736.db2.gz YARGWOJKSPBNFN-LIRRHRJNSA-N 1 0 366.889 2.895 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001027079971 972401795 /nfs/dbraw/zinc/40/17/95/972401795.db2.gz UEEXGVQEKYOABN-XFKSJGNHSA-N 1 0 358.482 2.509 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001271242237 972403657 /nfs/dbraw/zinc/40/36/57/972403657.db2.gz RAHOPYZETBYNNR-WCQYABFASA-N 1 0 358.360 2.587 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255091377 961235564 /nfs/dbraw/zinc/23/55/64/961235564.db2.gz UYDWEIXSSRXNLI-GQSKFBFOSA-N 1 0 361.442 2.949 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000872660087 1013244606 /nfs/dbraw/zinc/24/46/06/1013244606.db2.gz VVWLXZSMOOGGSW-GXTWGEPZSA-N 1 0 366.458 2.897 20 10 FFCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000872821163 1013269166 /nfs/dbraw/zinc/26/91/66/1013269166.db2.gz SOXZQPRMZBWUNG-OAHLLOKOSA-N 1 0 356.378 2.578 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn[nH]c2)NC(=O)OC(C)(C)C)cc1 ZINC000773409656 1013306093 /nfs/dbraw/zinc/30/60/93/1013306093.db2.gz OALRVKYKMHKSBW-KRWDZBQOSA-N 1 0 359.474 2.831 20 10 FFCDRO COc1ccc(C[NH2+]CCc2c(C)nn(C)c2C)cc1Cn1cccn1 ZINC000873008191 1013344922 /nfs/dbraw/zinc/34/49/22/1013344922.db2.gz GVGRQYGJPSFHSL-UHFFFAOYSA-N 1 0 353.470 2.623 20 10 FFCDRO CCOC1CC2(C[C@H]2C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245946 962562443 /nfs/dbraw/zinc/56/24/43/962562443.db2.gz KMMLNFHYFWIHJH-KYBDOYODSA-N 1 0 359.514 2.677 20 10 FFCDRO COc1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1Cn1cccn1 ZINC000873051606 1013365372 /nfs/dbraw/zinc/36/53/72/1013365372.db2.gz FAUGHMOWVUJKOG-NRFANRHFSA-N 1 0 351.450 2.937 20 10 FFCDRO COc1ccc(C[NH2+]CCCOC2CCOCC2)cc1Cn1cccn1 ZINC000873061862 1013368474 /nfs/dbraw/zinc/36/84/74/1013368474.db2.gz VWGJNFWUYKCQKP-UHFFFAOYSA-N 1 0 359.470 2.615 20 10 FFCDRO CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001276063272 1013388921 /nfs/dbraw/zinc/38/89/21/1013388921.db2.gz CSGQMLNOOLACPR-HZPDHXFCSA-N 1 0 362.445 2.712 20 10 FFCDRO Cc1c(Cl)nc(N(C)C)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167431141 963083364 /nfs/dbraw/zinc/08/33/64/963083364.db2.gz JDKJYKVAVOROMS-UHFFFAOYSA-N 1 0 374.920 2.868 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)cc1C ZINC001022094006 964275767 /nfs/dbraw/zinc/27/57/67/964275767.db2.gz SLYNVCMOVAZYKB-DMUMMCEESA-N 1 0 360.498 2.802 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)c(OC)c1 ZINC001175512286 1013497488 /nfs/dbraw/zinc/49/74/88/1013497488.db2.gz JHGKQYNDQMBOSC-OAQYLSRUSA-N 1 0 356.466 2.734 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@H](CO)Cc2ccco2)c2cc(F)ccc2n1C ZINC000894339405 964842582 /nfs/dbraw/zinc/84/25/82/964842582.db2.gz XSHZUEKZWRTRRE-ZDUSSCGKSA-N 1 0 374.412 2.638 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588470429 965527424 /nfs/dbraw/zinc/52/74/24/965527424.db2.gz IWDKBWKDXCQXGO-LCBOHDIASA-N 1 0 352.434 2.748 20 10 FFCDRO COc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c(O)c1OC ZINC000892077613 965946120 /nfs/dbraw/zinc/94/61/20/965946120.db2.gz VVNDQLOPYULGOF-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCC2(COC2)O1 ZINC001167513867 966042562 /nfs/dbraw/zinc/04/25/62/966042562.db2.gz YNWXJQUVLIPOHF-CQSZACIVSA-N 1 0 356.260 2.925 20 10 FFCDRO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(O)c1OC ZINC000892185170 966210462 /nfs/dbraw/zinc/21/04/62/966210462.db2.gz IFZMZZJRHDRXSX-KRWDZBQOSA-N 1 0 365.470 2.960 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000892192896 966246219 /nfs/dbraw/zinc/24/62/19/966246219.db2.gz IJKMQZSAHMWDEM-IRXDYDNUSA-N 1 0 374.529 2.599 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c(O)c1OC ZINC000892217491 966301253 /nfs/dbraw/zinc/30/12/53/966301253.db2.gz YPSMRXGZBOYYDA-UHFFFAOYSA-N 1 0 362.470 2.776 20 10 FFCDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000892257281 966398507 /nfs/dbraw/zinc/39/85/07/966398507.db2.gz KLXUDGWFRPHEIE-SJLPKXTDSA-N 1 0 355.413 2.702 20 10 FFCDRO C[NH+](C)CCn1cc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001176448762 1013705508 /nfs/dbraw/zinc/70/55/08/1013705508.db2.gz ARGRXRCMPNBFBC-UHFFFAOYSA-N 1 0 365.437 2.990 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000728570043 967567990 /nfs/dbraw/zinc/56/79/90/967567990.db2.gz UXORJMHVRWTSFK-UHFFFAOYSA-N 1 0 367.493 2.517 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588612952 968155101 /nfs/dbraw/zinc/15/51/01/968155101.db2.gz NLYXEQWBHXFZON-YPLUBFQTSA-N 1 0 352.434 2.749 20 10 FFCDRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccc(N2CCOCC2)cc1 ZINC000874197185 1013784712 /nfs/dbraw/zinc/78/47/12/1013784712.db2.gz LAFLKIMIQCTEOE-KRWDZBQOSA-N 1 0 357.498 2.576 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178108137 969449474 /nfs/dbraw/zinc/44/94/74/969449474.db2.gz UYNGPKQEEIKBNW-IBGZPJMESA-N 1 0 367.493 2.888 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)N2CCc3ccccc3C2)c(O)c1OC ZINC000892768076 970281219 /nfs/dbraw/zinc/28/12/19/970281219.db2.gz NZKJJBQOQVZVBX-HNNXBMFYSA-N 1 0 356.466 2.946 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237257706 970400307 /nfs/dbraw/zinc/40/03/07/970400307.db2.gz MQSKQJYEBFYYPO-IAGOWNOFSA-N 1 0 359.514 2.806 20 10 FFCDRO Cc1ccc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000892945648 970403334 /nfs/dbraw/zinc/40/33/34/970403334.db2.gz DKCSTKLWTMTGAJ-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000892966160 970446285 /nfs/dbraw/zinc/44/62/85/970446285.db2.gz RLPBFCLYCUEQSM-CQSZACIVSA-N 1 0 366.458 2.899 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C1 ZINC000875301255 1014008026 /nfs/dbraw/zinc/00/80/26/1014008026.db2.gz PSXWCQAERNRCLY-MAUKXSAKSA-N 1 0 361.486 2.554 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000729542946 970687995 /nfs/dbraw/zinc/68/79/95/970687995.db2.gz XARBZQCIJBBJMY-UHFFFAOYSA-N 1 0 360.502 2.685 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)cc1 ZINC001141985121 973079019 /nfs/dbraw/zinc/07/90/19/973079019.db2.gz HCPLQMXFUFWLMD-UHFFFAOYSA-N 1 0 371.525 2.998 20 10 FFCDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000897066538 973217268 /nfs/dbraw/zinc/21/72/68/973217268.db2.gz BPTBUSCXPYRNGG-LJQANCHMSA-N 1 0 358.438 2.504 20 10 FFCDRO C[NH2+]CC1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)CC1 ZINC000653049495 1014215352 /nfs/dbraw/zinc/21/53/52/1014215352.db2.gz OEHAHYJCFSCJOF-UHFFFAOYSA-N 1 0 369.509 2.987 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000653143527 1014236784 /nfs/dbraw/zinc/23/67/84/1014236784.db2.gz RKCLJEXDKQCYLB-DNVCBOLYSA-N 1 0 367.493 2.739 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)CCCC1 ZINC000652557040 975238351 /nfs/dbraw/zinc/23/83/51/975238351.db2.gz VXZKCHXGARGQPN-HUUCEWRRSA-N 1 0 355.482 2.867 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000652557392 975239110 /nfs/dbraw/zinc/23/91/10/975239110.db2.gz CHQFGIKKQJCLIQ-CVEARBPZSA-N 1 0 367.493 2.597 20 10 FFCDRO OC1CCN(c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000876510243 1014288458 /nfs/dbraw/zinc/28/84/58/1014288458.db2.gz RTLYLURDEGXJCH-UHFFFAOYSA-N 1 0 365.521 2.966 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000876537002 1014296619 /nfs/dbraw/zinc/29/66/19/1014296619.db2.gz JWTKTVKVIZTHDL-HXUWFJFHSA-N 1 0 368.477 2.920 20 10 FFCDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448735 976460583 /nfs/dbraw/zinc/46/05/83/976460583.db2.gz VRSNQRVSHNRWFT-NRFANRHFSA-N 1 0 368.525 2.847 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)N(C)C)cc1 ZINC000898451653 976462271 /nfs/dbraw/zinc/46/22/71/976462271.db2.gz MUDLRDGCVLFXLT-OAQYLSRUSA-N 1 0 364.497 2.930 20 10 FFCDRO COc1cccc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1O ZINC000842217611 976888685 /nfs/dbraw/zinc/88/86/85/976888685.db2.gz YBOPPQDPSMDLKB-UHFFFAOYSA-N 1 0 369.465 2.839 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C[C@H]2CCOC2)C2CC2)[NH+](C)C)cc1 ZINC000899101330 976911671 /nfs/dbraw/zinc/91/16/71/976911671.db2.gz IXNWKPATEXPVAH-OXQOHEQNSA-N 1 0 374.529 2.566 20 10 FFCDRO CNC(=O)CCN(C)CC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000728928169 977515145 /nfs/dbraw/zinc/51/51/45/977515145.db2.gz OETLZXNFYHVDHE-UHFFFAOYSA-N 1 0 355.482 2.962 20 10 FFCDRO CCc1cnccc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894062395 977650668 /nfs/dbraw/zinc/65/06/68/977650668.db2.gz XCQNJOZYFSXENB-FQEVSTJZSA-N 1 0 369.513 2.812 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)CC3(OC)CCC3)CC2)cc1 ZINC000759991493 977747521 /nfs/dbraw/zinc/74/75/21/977747521.db2.gz CJMFTRSTXXOTKY-GOSISDBHSA-N 1 0 361.530 2.755 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000877034378 1014456823 /nfs/dbraw/zinc/45/68/23/1014456823.db2.gz GTFFRAMZJFNOLX-VFNWGFHPSA-N 1 0 358.457 2.999 20 10 FFCDRO O=C(C1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877089560 1014473522 /nfs/dbraw/zinc/47/35/22/1014473522.db2.gz OEHHRYGDQVXWFR-LJQANCHMSA-N 1 0 371.525 2.528 20 10 FFCDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C[C@H](C)O2 ZINC000877493488 1014598639 /nfs/dbraw/zinc/59/86/39/1014598639.db2.gz CMVNKPKKJQUSTI-FGSXEWAUSA-N 1 0 374.525 2.806 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCc2ccccc21 ZINC000877498787 1014602438 /nfs/dbraw/zinc/60/24/38/1014602438.db2.gz JBSQUDFOCQOSTC-QHCPKHFHSA-N 1 0 366.505 2.961 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C(F)(F)F ZINC000877516410 1014609895 /nfs/dbraw/zinc/60/98/95/1014609895.db2.gz DXYRIHPAUHLLMF-MAUKXSAKSA-N 1 0 372.431 2.640 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CC3(O)CCCCC3)CC2)cc1 ZINC000905082445 980375996 /nfs/dbraw/zinc/37/59/96/980375996.db2.gz NNQDINGIEKQVKB-IBGZPJMESA-N 1 0 362.514 2.700 20 10 FFCDRO O[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1(O)CCCC1 ZINC000905085922 980377128 /nfs/dbraw/zinc/37/71/28/980377128.db2.gz ZZMRTCIPOAKXJG-QGZVFWFLSA-N 1 0 370.440 2.512 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000897409294 980425578 /nfs/dbraw/zinc/42/55/78/980425578.db2.gz JJZYFPJDLLUZQA-AWEZNQCLSA-N 1 0 366.458 2.851 20 10 FFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)COc2ccccc2O1 ZINC000877648977 1014660329 /nfs/dbraw/zinc/66/03/29/1014660329.db2.gz YGINIQGNLHOWMZ-QFIPXVFZSA-N 1 0 368.477 2.967 20 10 FFCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000897576425 982306850 /nfs/dbraw/zinc/30/68/50/982306850.db2.gz FMEUOTUAIOXMSV-GOSISDBHSA-N 1 0 370.497 2.794 20 10 FFCDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000897630510 982444395 /nfs/dbraw/zinc/44/43/95/982444395.db2.gz ATNKHLLHRXHWEJ-LJQANCHMSA-N 1 0 358.438 2.765 20 10 FFCDRO O=C(NCCC[C@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842007307 982568944 /nfs/dbraw/zinc/56/89/44/982568944.db2.gz XYUKTTPJOBMRDK-QZTJIDSGSA-N 1 0 361.486 2.615 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000151209610 984215164 /nfs/dbraw/zinc/21/51/64/984215164.db2.gz BXBZMQMRCWUMSW-YJBOKZPZSA-N 1 0 369.465 2.863 20 10 FFCDRO C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000163999255 984316905 /nfs/dbraw/zinc/31/69/05/984316905.db2.gz LZOZRPBTEMPGEQ-OAHLLOKOSA-N 1 0 361.486 2.793 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCC(C)C)CC2)cc1 ZINC000045578717 984461006 /nfs/dbraw/zinc/46/10/06/984461006.db2.gz FBUYBVBCJMAYHU-UHFFFAOYSA-N 1 0 362.518 2.553 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000764383686 984468885 /nfs/dbraw/zinc/46/88/85/984468885.db2.gz UPEDPCGCPAQVKF-QGZVFWFLSA-N 1 0 363.477 2.543 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000764808673 984728553 /nfs/dbraw/zinc/72/85/53/984728553.db2.gz GNXKSVXMODWCTC-XLIONFOSSA-N 1 0 356.466 2.614 20 10 FFCDRO COc1cc(N2CC[NH+](CCCc3ccncc3)CC2)cc(OC)c1OC ZINC000765016829 984938810 /nfs/dbraw/zinc/93/88/10/984938810.db2.gz ZUSULPWQROZVJF-UHFFFAOYSA-N 1 0 371.481 2.862 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCOCC1 ZINC000765255589 985009477 /nfs/dbraw/zinc/00/94/77/985009477.db2.gz RBDZIDKLXMELHH-QUCCMNQESA-N 1 0 359.514 2.683 20 10 FFCDRO CNC(=O)Nc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC000796470151 1015120799 /nfs/dbraw/zinc/12/07/99/1015120799.db2.gz SQZNYJGYSXOBNK-UHFFFAOYSA-N 1 0 371.460 2.941 20 10 FFCDRO Oc1ccccc1C[NH+]1CCC(Oc2ncc(Br)cn2)CC1 ZINC001203557156 985788284 /nfs/dbraw/zinc/78/82/84/985788284.db2.gz ZWVGQBSHUHEXKG-UHFFFAOYSA-N 1 0 364.243 2.988 20 10 FFCDRO CC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000174621232 986305197 /nfs/dbraw/zinc/30/51/97/986305197.db2.gz NIXHSSYXMQJCBA-MRXNPFEDSA-N 1 0 367.440 2.857 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)NCc2c(O)cccc2F)[NH+](C)C)c1 ZINC000913890089 986999746 /nfs/dbraw/zinc/99/97/46/986999746.db2.gz MKGYXBGTQLROOF-QGZVFWFLSA-N 1 0 361.417 2.642 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3CCC(C)CC3)CC2)cc1 ZINC000060942480 987010045 /nfs/dbraw/zinc/01/00/45/987010045.db2.gz XPEYZIDROJWVAQ-UHFFFAOYSA-N 1 0 359.514 2.854 20 10 FFCDRO Cc1cc(O)c(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)cc1C ZINC000152445034 987218582 /nfs/dbraw/zinc/21/85/82/987218582.db2.gz FHZCBHCYFVFUKA-UHFFFAOYSA-N 1 0 367.493 2.938 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000765977391 988185001 /nfs/dbraw/zinc/18/50/01/988185001.db2.gz HIXUEYGASULJOX-HXUWFJFHSA-N 1 0 374.481 2.838 20 10 FFCDRO CCN(C(=O)C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000922478104 988628153 /nfs/dbraw/zinc/62/81/53/988628153.db2.gz OCRFXNCBZWNELF-UHFFFAOYSA-N 1 0 353.466 2.666 20 10 FFCDRO CC(C)(C)n1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(=O)[nH]c1=O ZINC000922499098 988640725 /nfs/dbraw/zinc/64/07/25/988640725.db2.gz VXGYHUMQSLKBJT-UHFFFAOYSA-N 1 0 370.497 2.984 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)cc1Cn1cccn1 ZINC000922751499 988870405 /nfs/dbraw/zinc/87/04/05/988870405.db2.gz RMBOMYXIDRLMPD-KRWDZBQOSA-N 1 0 370.419 2.912 20 10 FFCDRO COC[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001106819704 989244545 /nfs/dbraw/zinc/24/45/45/989244545.db2.gz PENBFRAGPWKXKQ-KVSKMBFKSA-N 1 0 362.514 2.860 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000879341220 1015487150 /nfs/dbraw/zinc/48/71/50/1015487150.db2.gz FSNDGPRRLOZRNT-MAUKXSAKSA-N 1 0 372.431 2.904 20 10 FFCDRO C[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000154091624 989841949 /nfs/dbraw/zinc/84/19/49/989841949.db2.gz HRGHLOQVYKIKHJ-UHFFFAOYSA-N 1 0 371.525 2.889 20 10 FFCDRO CCC[NH+]1CCC(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000154378437 990203872 /nfs/dbraw/zinc/20/38/72/990203872.db2.gz IUKQZEUGMCVMRT-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000918080101 990330217 /nfs/dbraw/zinc/33/02/17/990330217.db2.gz WCXUHLUJQCZVFG-UXHICEINSA-N 1 0 372.513 2.544 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C=O)cc3)cc2)CC1 ZINC000918914570 990522829 /nfs/dbraw/zinc/52/28/29/990522829.db2.gz WILBNNNGGMZLSE-DHZHZOJOSA-N 1 0 363.461 2.581 20 10 FFCDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(O)c3O)CC2)cc1 ZINC000187039888 990740871 /nfs/dbraw/zinc/74/08/71/990740871.db2.gz QTGRTFLHTQWJJX-UHFFFAOYSA-N 1 0 370.449 2.748 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCN3C3CCOCC3)CC2)cc1 ZINC000922953769 990765951 /nfs/dbraw/zinc/76/59/51/990765951.db2.gz RFYNCHLDIFZRNZ-HXUWFJFHSA-N 1 0 359.514 2.507 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000920182154 990809982 /nfs/dbraw/zinc/80/99/82/990809982.db2.gz JXLWNIIRVUATQK-LJQANCHMSA-N 1 0 358.457 2.603 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4[C@H](C3)C4(C)C)cc2F)CC1 ZINC000074134322 990812176 /nfs/dbraw/zinc/81/21/76/990812176.db2.gz OEJGOBQRDNILMD-CALCHBBNSA-N 1 0 374.504 2.765 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)n1-c1ccc(F)cn1 ZINC000879579706 1015596023 /nfs/dbraw/zinc/59/60/23/1015596023.db2.gz OOCUHRNFMFSABP-VQIMIIECSA-N 1 0 370.472 2.837 20 10 FFCDRO COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000923422776 991133399 /nfs/dbraw/zinc/13/33/99/991133399.db2.gz MYBCWQIORQEGCK-QFIPXVFZSA-N 1 0 367.493 2.678 20 10 FFCDRO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc(OC)c1OC ZINC000879651137 1015624973 /nfs/dbraw/zinc/62/49/73/1015624973.db2.gz JSBDRSQGNMGQLT-LBPRGKRZSA-N 1 0 360.410 2.707 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000879651174 1015625478 /nfs/dbraw/zinc/62/54/78/1015625478.db2.gz LLIBIKXZYZYEOD-HNNXBMFYSA-N 1 0 355.438 2.518 20 10 FFCDRO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000879651947 1015627080 /nfs/dbraw/zinc/62/70/80/1015627080.db2.gz QITKRGRKFNPPME-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000068975662 991553390 /nfs/dbraw/zinc/55/33/90/991553390.db2.gz OXHRWWUEKYKSKI-QGZVFWFLSA-N 1 0 374.554 2.911 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000180851991 991561403 /nfs/dbraw/zinc/56/14/03/991561403.db2.gz MAGTVFMGICYJCD-FNORWQNLSA-N 1 0 374.481 2.510 20 10 FFCDRO COCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001081071184 993642840 /nfs/dbraw/zinc/64/28/40/993642840.db2.gz RBUPTXBPLZPOST-VQTJNVASSA-N 1 0 368.477 2.734 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3COc4ccccc4[C@H]3O)CC2)cc1 ZINC000808730200 994244058 /nfs/dbraw/zinc/24/40/58/994244058.db2.gz UNPAGMZGCWSNQM-PZJWPPBQSA-N 1 0 354.450 2.748 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1C ZINC000809707996 994589005 /nfs/dbraw/zinc/58/90/05/994589005.db2.gz UWKDNWMFGDNJLH-MSOLQXFVSA-N 1 0 362.470 2.879 20 10 FFCDRO [NH3+]CCN(Cc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736261 994592405 /nfs/dbraw/zinc/59/24/05/994592405.db2.gz LYQBYLDIXCBKAD-UHFFFAOYSA-N 1 0 374.416 2.536 20 10 FFCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809768921 994599156 /nfs/dbraw/zinc/59/91/56/994599156.db2.gz YPIJIWGKYNCUKR-QGZVFWFLSA-N 1 0 365.474 2.803 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810209070 994738189 /nfs/dbraw/zinc/73/81/89/994738189.db2.gz LHXXEZSCQMYZOI-MRXNPFEDSA-N 1 0 373.419 2.616 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccn(C)c3C)C[C@H]2C)cc1C ZINC001082726023 995364393 /nfs/dbraw/zinc/36/43/93/995364393.db2.gz DLQNHTYMDVWLJY-DNVCBOLYSA-N 1 0 355.482 2.901 20 10 FFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000812511307 995460891 /nfs/dbraw/zinc/46/08/91/995460891.db2.gz XWOZIEJUHFHVOY-FUHWJXTLSA-N 1 0 363.502 2.812 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](C(=O)N3CCCC3)C(C)C)CC2)cc1 ZINC000812832879 995547389 /nfs/dbraw/zinc/54/73/89/995547389.db2.gz KMBATVZUJPADIM-FQEVSTJZSA-N 1 0 359.514 2.901 20 10 FFCDRO CC(C)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[NH+](C)C ZINC000730105301 996853480 /nfs/dbraw/zinc/85/34/80/996853480.db2.gz DXVYQMMJFDDLNF-SPYBWZPUSA-N 1 0 365.493 2.642 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[NH+](C)C ZINC000730105295 996854199 /nfs/dbraw/zinc/85/41/99/996854199.db2.gz DXVYQMMJFDDLNF-CLCXKQKWSA-N 1 0 365.493 2.642 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)C3CCC4(CC4)CC3)CC2)cc1 ZINC000824285346 996891971 /nfs/dbraw/zinc/89/19/71/996891971.db2.gz GGCDFRVNYKCPAP-UHFFFAOYSA-N 1 0 371.525 2.904 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC001136875055 996935536 /nfs/dbraw/zinc/93/55/36/996935536.db2.gz WWZUQOFDZGJWBF-UTKZUKDTSA-N 1 0 368.525 2.767 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)[nH]c3C)cc2F)CC1 ZINC000730192554 996956250 /nfs/dbraw/zinc/95/62/50/996956250.db2.gz GLGRBNSAMQCORG-UHFFFAOYSA-N 1 0 358.461 2.843 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000824486291 996957478 /nfs/dbraw/zinc/95/74/78/996957478.db2.gz IYFHDNRHPSUHDP-ACDBMABISA-N 1 0 368.525 2.816 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1OC ZINC000824634592 997019934 /nfs/dbraw/zinc/01/99/34/997019934.db2.gz AYUIQFMBWYXKSL-JXFKEZNVSA-N 1 0 361.413 2.709 20 10 FFCDRO OC[C@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000824636832 997021639 /nfs/dbraw/zinc/02/16/39/997021639.db2.gz UGOHQUYOQVYKMC-FCHUYYIVSA-N 1 0 370.468 2.823 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)C2)cc1 ZINC000824687136 997053907 /nfs/dbraw/zinc/05/39/07/997053907.db2.gz QDXBFHYOCPOUBQ-MBOZVWFJSA-N 1 0 374.529 2.503 20 10 FFCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824710347 997066739 /nfs/dbraw/zinc/06/67/39/997066739.db2.gz XXBQAGQZWGXBEW-LPHOPBHVSA-N 1 0 363.458 2.726 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(O)c1 ZINC000824827158 997115405 /nfs/dbraw/zinc/11/54/05/997115405.db2.gz ASKJUBCMYMUFFQ-GXTWGEPZSA-N 1 0 372.387 2.634 20 10 FFCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1n1cccn1 ZINC000825118549 997219734 /nfs/dbraw/zinc/21/97/34/997219734.db2.gz UJLKOKVMKQHEQR-VHSSKADRSA-N 1 0 359.426 2.604 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC000825183360 997243479 /nfs/dbraw/zinc/24/34/79/997243479.db2.gz LSMZDSBJECBLMJ-LJQANCHMSA-N 1 0 355.482 2.819 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)c2C)cc1 ZINC000825215053 997261835 /nfs/dbraw/zinc/26/18/35/997261835.db2.gz DZEMIYZTLVMJQF-OXJNMPFZSA-N 1 0 353.466 2.927 20 10 FFCDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000730564985 997293705 /nfs/dbraw/zinc/29/37/05/997293705.db2.gz ZYHCJHRLLDGRJU-UHFFFAOYSA-N 1 0 364.442 2.952 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)ccc1OC ZINC000825328273 997317344 /nfs/dbraw/zinc/31/73/44/997317344.db2.gz ZJIIOYHGFNLKEK-HKUYNNGSSA-N 1 0 359.470 2.975 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000844879759 998221841 /nfs/dbraw/zinc/22/18/41/998221841.db2.gz KJUGUKNUGIIPMB-KRWDZBQOSA-N 1 0 362.518 2.647 20 10 FFCDRO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731870092 998312015 /nfs/dbraw/zinc/31/20/15/998312015.db2.gz BXJCSLURVUOOTG-UHFFFAOYSA-N 1 0 373.522 2.782 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CC[NH+]3CCCCC3)C2)cc1 ZINC000845269647 998456848 /nfs/dbraw/zinc/45/68/48/998456848.db2.gz UWFWQOGYNDHTKS-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001144514965 998626551 /nfs/dbraw/zinc/62/65/51/998626551.db2.gz ZIELYJKPUFIRQB-UHFFFAOYSA-N 1 0 364.442 2.779 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](c2ccccc2)C1 ZINC001144516236 998628669 /nfs/dbraw/zinc/62/86/69/998628669.db2.gz URQXCDPVCBMTFS-WMLDXEAASA-N 1 0 357.406 2.930 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H](c2ccccc2)C1 ZINC001144516237 998628748 /nfs/dbraw/zinc/62/87/48/998628748.db2.gz URQXCDPVCBMTFS-YOEHRIQHSA-N 1 0 357.406 2.930 20 10 FFCDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000733330811 998964049 /nfs/dbraw/zinc/96/40/49/998964049.db2.gz OMKUZVFGZQSVSG-KXBFYZLASA-N 1 0 374.506 2.928 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc(C)cn2)cc1C ZINC001085145048 999021243 /nfs/dbraw/zinc/02/12/43/999021243.db2.gz AWIPKCVHYXIBSH-RTBURBONSA-N 1 0 370.497 2.726 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCCN(Cc2ccccc2)C1 ZINC000733998876 999177403 /nfs/dbraw/zinc/17/74/03/999177403.db2.gz DSSRYJXMKKYMNJ-QFIPXVFZSA-N 1 0 352.478 2.738 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001000263820 1016292192 /nfs/dbraw/zinc/29/21/92/1016292192.db2.gz FPRMZCXFXJDJLP-XFKSJGNHSA-N 1 0 358.482 2.652 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C ZINC000742372407 999772585 /nfs/dbraw/zinc/77/25/85/999772585.db2.gz ZVGXFOBHDPLUEW-FPOVZHCZSA-N 1 0 354.494 2.982 20 10 FFCDRO C[C@H]([NH2+]CCCNc1ncccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766519423 1000005668 /nfs/dbraw/zinc/00/56/68/1000005668.db2.gz VEEOKHTZSJEAMD-HNNXBMFYSA-N 1 0 359.449 2.605 20 10 FFCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000768197295 1000194981 /nfs/dbraw/zinc/19/49/81/1000194981.db2.gz HEYLYLHXPVLDEQ-SJLPKXTDSA-N 1 0 352.482 2.943 20 10 FFCDRO CNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768216405 1000196435 /nfs/dbraw/zinc/19/64/35/1000196435.db2.gz ATGAFFDFIROMQO-UHFFFAOYSA-N 1 0 360.458 2.543 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768218474 1000196590 /nfs/dbraw/zinc/19/65/90/1000196590.db2.gz JGKLOHUUIMOAIL-UZLBHIALSA-N 1 0 370.449 2.908 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC000846145044 1000218438 /nfs/dbraw/zinc/21/84/38/1000218438.db2.gz OGDZRWRTOUHWGD-OAHLLOKOSA-N 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ZINC001206369986 1032257939 /nfs/dbraw/zinc/25/79/39/1032257939.db2.gz JZEAAYRCDUPZSL-HNNXBMFYSA-N 1 0 361.255 2.816 20 10 FFCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966816 1007981965 /nfs/dbraw/zinc/98/19/65/1007981965.db2.gz OMWLGFBQLWATMK-NUJGCVRESA-N 1 0 368.493 2.705 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 ZINC000856807680 1007984848 /nfs/dbraw/zinc/98/48/48/1007984848.db2.gz PSXQRUMTBGEFCH-UHFFFAOYSA-N 1 0 370.472 2.703 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@H](O)c3ccccc3)CC2)cc1 ZINC000818943613 1007986626 /nfs/dbraw/zinc/98/66/26/1007986626.db2.gz WRAYOVVOMMIXCL-QFIPXVFZSA-N 1 0 369.509 2.531 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000818985650 1007999937 /nfs/dbraw/zinc/99/99/37/1007999937.db2.gz XRKKUOOJSOKKAV-GOSISDBHSA-N 1 0 371.437 2.507 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985049 1008001637 /nfs/dbraw/zinc/00/16/37/1008001637.db2.gz MFEHZJGHHOKGST-QGZVFWFLSA-N 1 0 362.445 2.568 20 10 FFCDRO CCc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818972352 1008013066 /nfs/dbraw/zinc/01/30/66/1008013066.db2.gz FAMWIXGCCBRHKT-NRFANRHFSA-N 1 0 370.493 2.615 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COCc1ccccc1F ZINC000819095027 1008032324 /nfs/dbraw/zinc/03/23/24/1008032324.db2.gz RQMXQORUCBPRRJ-HXUWFJFHSA-N 1 0 356.441 2.869 20 10 FFCDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819115115 1008047945 /nfs/dbraw/zinc/04/79/45/1008047945.db2.gz CTZRXCCWRLQQSX-CMKODMSKSA-N 1 0 363.546 2.592 20 10 FFCDRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120984 1008048128 /nfs/dbraw/zinc/04/81/28/1008048128.db2.gz RYZPUIKFHGROLZ-WBVHZDCISA-N 1 0 372.456 2.880 20 10 FFCDRO C[C@@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168017 1008055650 /nfs/dbraw/zinc/05/56/50/1008055650.db2.gz KWMWRZBHLULHAJ-JKSUJKDBSA-N 1 0 371.481 2.809 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3cc(C)ccc3C)CC2)cc1 ZINC000819394239 1008113733 /nfs/dbraw/zinc/11/37/33/1008113733.db2.gz ULAWVIJOBJZTQP-HXUWFJFHSA-N 1 0 369.509 2.907 20 10 FFCDRO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000858011977 1008277288 /nfs/dbraw/zinc/27/72/88/1008277288.db2.gz VBYFRFZDYBZHEL-FQEVSTJZSA-N 1 0 353.466 2.880 20 10 FFCDRO Cn1cc([C@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)C(F)(F)F)cn1 ZINC000858164036 1008315626 /nfs/dbraw/zinc/31/56/26/1008315626.db2.gz OICRFMZYRHUQPM-KRWDZBQOSA-N 1 0 367.419 2.565 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000858166740 1008315765 /nfs/dbraw/zinc/31/57/65/1008315765.db2.gz ZGYTVKSVZNGWSJ-UHFFFAOYSA-N 1 0 353.466 2.660 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858246371 1008332403 /nfs/dbraw/zinc/33/24/03/1008332403.db2.gz HBSQNYZJFVCHTH-UHFFFAOYSA-N 1 0 366.458 2.564 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(=O)[nH]c3)CC2)cc1 ZINC000858290175 1008341329 /nfs/dbraw/zinc/34/13/29/1008341329.db2.gz RJVJBIVHFCMIFP-CTNGQTDRSA-N 1 0 369.465 2.884 20 10 FFCDRO C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000858369920 1008351959 /nfs/dbraw/zinc/35/19/59/1008351959.db2.gz YXEMTQOZLPTIPD-KRWDZBQOSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000858598688 1008388930 /nfs/dbraw/zinc/38/89/30/1008388930.db2.gz GTJMJQMWNGXELM-QFBILLFUSA-N 1 0 372.513 2.590 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CCN(c3ccccc3)CC2)cc1F ZINC001177203972 1008516127 /nfs/dbraw/zinc/51/61/27/1008516127.db2.gz IDABVIYQTYSKGH-UHFFFAOYSA-N 1 0 374.479 2.943 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cc(-c3ccccn3)n[nH]2)ccc1N1CCOCC1 ZINC001177334121 1008569986 /nfs/dbraw/zinc/56/99/86/1008569986.db2.gz KQEMPSYCUOEJRF-UHFFFAOYSA-N 1 0 367.428 2.737 20 10 FFCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC001177428554 1008620141 /nfs/dbraw/zinc/62/01/41/1008620141.db2.gz COMKGQHLJAZCGR-INIZCTEOSA-N 1 0 358.511 2.751 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000822494352 1008624016 /nfs/dbraw/zinc/62/40/16/1008624016.db2.gz MLNFZSGHSLSUCC-MRXNPFEDSA-N 1 0 367.449 2.756 20 10 FFCDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886325000 1008637322 /nfs/dbraw/zinc/63/73/22/1008637322.db2.gz PMZLSCDQJSQJPA-YLJYHZDGSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@]4(CO[C@@H](C)C4)O3)CC2)cc1 ZINC000886329807 1008639155 /nfs/dbraw/zinc/63/91/55/1008639155.db2.gz JNCJBDPNBCOTCM-NDXORKPFSA-N 1 0 360.498 2.980 20 10 FFCDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)O2 ZINC000886341269 1008643667 /nfs/dbraw/zinc/64/36/67/1008643667.db2.gz SFMYXAQAKLMXEN-SQBLYHGDSA-N 1 0 360.498 2.585 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)c(O)c1OC ZINC001206545209 1032337729 /nfs/dbraw/zinc/33/77/29/1032337729.db2.gz UJZPYKAFKGGEDE-SFHVURJKSA-N 1 0 356.466 2.768 20 10 FFCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822740106 1008751395 /nfs/dbraw/zinc/75/13/95/1008751395.db2.gz MBQWUEPTSOVZAE-SFHVURJKSA-N 1 0 364.486 2.832 20 10 FFCDRO CCOCc1cc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)ccc1OC ZINC001177805021 1008754860 /nfs/dbraw/zinc/75/48/60/1008754860.db2.gz WTFDRTYTXQOIHI-HXUWFJFHSA-N 1 0 362.514 2.965 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000886634597 1008785975 /nfs/dbraw/zinc/78/59/75/1008785975.db2.gz HQJURLFITXIEAC-WMLDXEAASA-N 1 0 355.438 2.806 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000886639768 1008788680 /nfs/dbraw/zinc/78/86/80/1008788680.db2.gz LIUVMRXBEBFSOA-OAHLLOKOSA-N 1 0 369.465 2.680 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823025083 1008894853 /nfs/dbraw/zinc/89/48/53/1008894853.db2.gz FXXZSZGRFZEOQT-MJGOQNOKSA-N 1 0 374.529 2.695 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1C ZINC001178180950 1008899397 /nfs/dbraw/zinc/89/93/97/1008899397.db2.gz NOLPYNAZPYECSC-IAGOWNOFSA-N 1 0 354.516 2.591 20 10 FFCDRO C/C=C(C)/C=C/C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001178512410 1009013125 /nfs/dbraw/zinc/01/31/25/1009013125.db2.gz RMAHJPKVACEVEX-OBQCXRRTSA-N 1 0 357.498 2.846 20 10 FFCDRO COc1nccc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000823765624 1009218122 /nfs/dbraw/zinc/21/81/22/1009218122.db2.gz RSGNDPFCUOPPHI-UHFFFAOYSA-N 1 0 364.396 2.845 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000861808296 1009566616 /nfs/dbraw/zinc/56/66/16/1009566616.db2.gz KMWLKSTYEBQZDT-XLIONFOSSA-N 1 0 351.450 2.683 20 10 FFCDRO COc1ccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c(O)c1OC ZINC001180665239 1009793547 /nfs/dbraw/zinc/79/35/47/1009793547.db2.gz KKJUYAMLDFOVTO-UHFFFAOYSA-N 1 0 360.454 2.986 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](O)(c4ccccc4)C3)cc2)CC1 ZINC000862482109 1009854381 /nfs/dbraw/zinc/85/43/81/1009854381.db2.gz DGHATQJVNINBDK-HSZRJFAPSA-N 1 0 365.521 2.922 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N(CC3CC3)C3CCC3)cc2)CC1 ZINC000889665283 1010045690 /nfs/dbraw/zinc/04/56/90/1010045690.db2.gz KNYLZNCZMBMGGW-UHFFFAOYSA-N 1 0 356.514 2.913 20 10 FFCDRO C[C@H](c1ccccn1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670343 1010048986 /nfs/dbraw/zinc/04/89/86/1010048986.db2.gz MQXXUXHIUNPCKC-QGZVFWFLSA-N 1 0 367.497 2.736 20 10 FFCDRO Fc1cc(CNc2ccc3c(c2)OCC[NH2+]C3)ccc1N1CCOCC1 ZINC000863487837 1010222669 /nfs/dbraw/zinc/22/26/69/1010222669.db2.gz ZSMKYZBLFJSHMD-UHFFFAOYSA-N 1 0 357.429 2.756 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000119603922 1010311632 /nfs/dbraw/zinc/31/16/32/1010311632.db2.gz KXANABWNHCTISP-UHFFFAOYSA-N 1 0 353.466 2.765 20 10 FFCDRO CCS(=O)(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000863986758 1010372936 /nfs/dbraw/zinc/37/29/36/1010372936.db2.gz QRAKTLKQGWQNHV-UHFFFAOYSA-N 1 0 373.522 2.844 20 10 FFCDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001182325540 1010507144 /nfs/dbraw/zinc/50/71/44/1010507144.db2.gz AEEMEHLNIQCZFT-IBGZPJMESA-N 1 0 365.521 2.748 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000865405161 1010775552 /nfs/dbraw/zinc/77/55/52/1010775552.db2.gz XYQSPXPGEGQHCK-UHFFFAOYSA-N 1 0 369.509 2.753 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@H]2C)cc1C ZINC001094058954 1010814241 /nfs/dbraw/zinc/81/42/41/1010814241.db2.gz IAFSUBAMJCZPGT-QQTQMKHKSA-N 1 0 360.498 2.755 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865604414 1010825513 /nfs/dbraw/zinc/82/55/13/1010825513.db2.gz WEJMFTRSEVCLHH-UZLBHIALSA-N 1 0 357.502 2.552 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cc2)C1 ZINC000866236387 1010958049 /nfs/dbraw/zinc/95/80/49/1010958049.db2.gz AJFBAQPMUUIYHK-NRSPTQNISA-N 1 0 371.525 2.826 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1O ZINC000868086937 1011162058 /nfs/dbraw/zinc/16/20/58/1011162058.db2.gz IXPWPPVYIJYXER-HNNXBMFYSA-N 1 0 357.454 2.893 20 10 FFCDRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773306281 1011315587 /nfs/dbraw/zinc/31/55/87/1011315587.db2.gz JPDRTANOWWPFOA-INIZCTEOSA-N 1 0 362.518 2.614 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172188119 1011662360 /nfs/dbraw/zinc/66/23/60/1011662360.db2.gz FCENBYLHDBRFJC-GJZGRUSLSA-N 1 0 353.466 2.698 20 10 FFCDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275028118 1011828587 /nfs/dbraw/zinc/82/85/87/1011828587.db2.gz RGIAHWYEVIERDR-OAQYLSRUSA-N 1 0 357.498 2.596 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1O ZINC001275241684 1012129207 /nfs/dbraw/zinc/12/92/07/1012129207.db2.gz KLSUTMIPCRZDTK-KRWDZBQOSA-N 1 0 372.387 2.920 20 10 FFCDRO O=C1N(Cc2ncccn2)CC[C@]12CCC[N@H+]2Cc1cc(Cl)ccc1O ZINC001275254549 1012148240 /nfs/dbraw/zinc/14/82/40/1012148240.db2.gz SXVPNJMSGJGRTG-LJQANCHMSA-N 1 0 372.856 2.603 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)c1O ZINC001275280360 1012200192 /nfs/dbraw/zinc/20/01/92/1012200192.db2.gz YHIFISORNCUZRN-QGZVFWFLSA-N 1 0 372.387 2.926 20 10 FFCDRO C[NH+]1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)(c2ccccc2)CC1 ZINC000870189180 1012252830 /nfs/dbraw/zinc/25/28/30/1012252830.db2.gz ODGDTKSDPNIIDP-CSKARUKUSA-N 1 0 366.461 2.891 20 10 FFCDRO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001276357888 1012508097 /nfs/dbraw/zinc/50/80/97/1012508097.db2.gz TWYCSCTXAHGZQS-NRFANRHFSA-N 1 0 359.514 2.604 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2F)C[C@H](C)O1 ZINC000870869443 1012612574 /nfs/dbraw/zinc/61/25/74/1012612574.db2.gz SHEMYOQCAJVDNH-NXNVCVFFSA-N 1 0 363.477 2.573 20 10 FFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275597863 1012673886 /nfs/dbraw/zinc/67/38/86/1012673886.db2.gz KQIYVEGPOLQRDM-NRFANRHFSA-N 1 0 357.498 2.894 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173763476 1012954880 /nfs/dbraw/zinc/95/48/80/1012954880.db2.gz HAGMKACUMQNLHZ-LSDHHAIUSA-N 1 0 366.469 2.715 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)C1=O ZINC001275770912 1012987006 /nfs/dbraw/zinc/98/70/06/1012987006.db2.gz HTVBVXZHWAMCBK-NRFANRHFSA-N 1 0 360.498 2.858 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 ZINC000924830544 1017508200 /nfs/dbraw/zinc/50/82/00/1017508200.db2.gz BUOXHOUQTCZOAP-SIKLNZKXSA-N 1 0 373.541 2.612 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCc4oc(C)nc43)CC2)cc1 ZINC000924833436 1017510217 /nfs/dbraw/zinc/51/02/17/1017510217.db2.gz WMUDDSKSXLUPIK-LJQANCHMSA-N 1 0 370.497 2.781 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3coc(C)c3)CC2)cc1 ZINC000187310900 1017660909 /nfs/dbraw/zinc/66/09/09/1017660909.db2.gz YWZMPYJFIDPANU-UHFFFAOYSA-N 1 0 357.454 2.539 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000748961929 1017871268 /nfs/dbraw/zinc/87/12/68/1017871268.db2.gz SPSJJVREVOGFSL-XLIONFOSSA-N 1 0 374.529 2.537 20 10 FFCDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000828519723 1032737894 /nfs/dbraw/zinc/73/78/94/1032737894.db2.gz YUJZXNUPVQRGSQ-OAQYLSRUSA-N 1 0 362.514 2.929 20 10 FFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725356 1018629120 /nfs/dbraw/zinc/62/91/20/1018629120.db2.gz FTIJMEZHZGRGLL-JXFKEZNVSA-N 1 0 353.466 2.709 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1F ZINC000827906614 1018948591 /nfs/dbraw/zinc/94/85/91/1018948591.db2.gz PUIJXBDVXVZWEY-KRWDZBQOSA-N 1 0 354.429 2.559 20 10 FFCDRO COCCCn1nccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000801721550 1019295812 /nfs/dbraw/zinc/29/58/12/1019295812.db2.gz YFHQXZPMUYHYKE-KRWDZBQOSA-N 1 0 358.486 2.607 20 10 FFCDRO C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccc(N2CCOCC2)cc1 ZINC000900386671 1020396293 /nfs/dbraw/zinc/39/62/93/1020396293.db2.gz BYMCLZPEANFKBO-FFZOFVMBSA-N 1 0 357.498 2.717 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000726245910 1020441451 /nfs/dbraw/zinc/44/14/51/1020441451.db2.gz RUKWXNORKOYHAG-IRXDYDNUSA-N 1 0 362.518 2.614 20 10 FFCDRO COc1cccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)c1 ZINC000931548524 1020510019 /nfs/dbraw/zinc/51/00/19/1020510019.db2.gz SRPCOMHDAMAQRK-QFIPXVFZSA-N 1 0 367.493 2.678 20 10 FFCDRO COCCO[C@@H]1CCC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000800849435 1020592966 /nfs/dbraw/zinc/59/29/66/1020592966.db2.gz AODSPXLTDPAJBE-MRXNPFEDSA-N 1 0 373.449 2.959 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc2c(cc1O)CCCC2 ZINC000903399172 1020823192 /nfs/dbraw/zinc/82/31/92/1020823192.db2.gz VPTVAIGZNZWJAO-XJKSGUPXSA-N 1 0 354.454 2.696 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001217987157 1032934902 /nfs/dbraw/zinc/93/49/02/1032934902.db2.gz MEWRLJBQKHGNIW-SJKOYZFVSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002596 1032938309 /nfs/dbraw/zinc/93/83/09/1032938309.db2.gz CVCVWDLWQMOLLA-ZCTYVAAUSA-N 1 0 358.482 2.821 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)cc2)CC1 ZINC000828987971 1032936528 /nfs/dbraw/zinc/93/65/28/1032936528.db2.gz KDSAXAVCTVZIFB-QGZVFWFLSA-N 1 0 367.497 2.653 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116585298 1021295267 /nfs/dbraw/zinc/29/52/67/1021295267.db2.gz WRYGTYAVIMBGIB-CJNGLKHVSA-N 1 0 360.479 2.947 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)NCC(F)(F)F ZINC001116589634 1021298202 /nfs/dbraw/zinc/29/82/02/1021298202.db2.gz ZRADOZHQEUIUIU-JGVFFNPUSA-N 1 0 369.181 2.872 20 10 FFCDRO O=c1cc(-c2cnn(CC[NH+]3CCCC3)c2)ccn1Cc1ccc(F)cc1 ZINC001222500139 1033012181 /nfs/dbraw/zinc/01/21/81/1033012181.db2.gz PDFCDSIGLCTTBC-UHFFFAOYSA-N 1 0 366.440 2.995 20 10 FFCDRO COc1ccccc1[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000157998209 1022470630 /nfs/dbraw/zinc/47/06/30/1022470630.db2.gz GVVWJAJYAMOAPS-SFHVURJKSA-N 1 0 367.493 2.867 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@H]3CCC34C[NH2+]C4)c21 ZINC001218244353 1033068209 /nfs/dbraw/zinc/06/82/09/1033068209.db2.gz ONFZZSAPDONABG-HNNXBMFYSA-N 1 0 364.357 2.501 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C(F)(F)F)CCC3)cc2)CC1 ZINC001119259416 1022640050 /nfs/dbraw/zinc/64/00/50/1022640050.db2.gz MKSFIAYSXCEHFL-UHFFFAOYSA-N 1 0 370.419 2.723 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c1O ZINC001119510543 1022822900 /nfs/dbraw/zinc/82/29/00/1022822900.db2.gz UPRJVHKAMXKJCO-IBGZPJMESA-N 1 0 356.466 2.872 20 10 FFCDRO Oc1cccc(Br)c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001119516571 1022828663 /nfs/dbraw/zinc/82/86/63/1022828663.db2.gz BWPMJJOZFDXGQY-GFCCVEGCSA-N 1 0 356.260 2.518 20 10 FFCDRO O=S1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC001119947675 1023176223 /nfs/dbraw/zinc/17/62/23/1023176223.db2.gz DFCDUFQXWVHOLO-PMFMOCITSA-N 1 0 356.919 2.511 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)CCC1 ZINC001120255810 1023284597 /nfs/dbraw/zinc/28/45/97/1023284597.db2.gz DVJVUIPSMRIOIR-UHFFFAOYSA-N 1 0 360.498 2.731 20 10 FFCDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000076549336 1023320892 /nfs/dbraw/zinc/32/08/92/1023320892.db2.gz UIKLCJDUTZPSLN-UHFFFAOYSA-N 1 0 371.437 2.942 20 10 FFCDRO O=C(NC[C@@H]1CCCCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001120579706 1023370264 /nfs/dbraw/zinc/37/02/64/1023370264.db2.gz VPPVVQFTULXNKB-ZWKOTPCHSA-N 1 0 361.486 2.615 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)c3cccc(C)c3)CC2)cc1 ZINC000754031942 1023417714 /nfs/dbraw/zinc/41/77/14/1023417714.db2.gz XRIDIUINFJHQCV-OAQYLSRUSA-N 1 0 369.509 2.623 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829385693 1033134497 /nfs/dbraw/zinc/13/44/97/1033134497.db2.gz UJWSZVXPYDCUJU-IBGZPJMESA-N 1 0 374.872 2.523 20 10 FFCDRO C[C@@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218399165 1033138506 /nfs/dbraw/zinc/13/85/06/1033138506.db2.gz OABVYFQIOLWVDF-NEPJUHHUSA-N 1 0 366.373 2.890 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756480420 1023717037 /nfs/dbraw/zinc/71/70/37/1023717037.db2.gz WNHUXQDFPMIELY-BLLLJJGKSA-N 1 0 358.413 2.994 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000756576386 1023730570 /nfs/dbraw/zinc/73/05/70/1023730570.db2.gz TYSQQPDCUDDRHT-INIZCTEOSA-N 1 0 374.506 2.786 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CN(C)Cc3ccccc32)cc1F ZINC000757635604 1023840204 /nfs/dbraw/zinc/84/02/04/1023840204.db2.gz VQFHMZGCAOXXNY-SFHVURJKSA-N 1 0 356.445 2.878 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3cc(OC)ccc3O)C2)nc1 ZINC000757655783 1023843040 /nfs/dbraw/zinc/84/30/40/1023843040.db2.gz QBBKOQSLTISQKT-ZDUSSCGKSA-N 1 0 371.437 2.512 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c(O)cccc3F)CC2)C1 ZINC001137832733 1033167144 /nfs/dbraw/zinc/16/71/44/1033167144.db2.gz FXILZGQWMUGUNS-HNNXBMFYSA-N 1 0 364.461 2.771 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)CCN(C)c3cc[nH+]cc3)CC2)cc1 ZINC000779481077 1023934768 /nfs/dbraw/zinc/93/47/68/1023934768.db2.gz KCWDFBDLMTXHAD-UHFFFAOYSA-N 1 0 368.481 2.702 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191922881 1023939444 /nfs/dbraw/zinc/93/94/44/1023939444.db2.gz URHWFGIOZGPQCN-IRLDBZIGSA-N 1 0 367.493 2.831 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000829500803 1033187388 /nfs/dbraw/zinc/18/73/88/1033187388.db2.gz RGPPMFYUMYEBSL-IBGZPJMESA-N 1 0 352.482 2.596 20 10 FFCDRO CCC(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1O)N1CCOCC1 ZINC000079108613 1024169425 /nfs/dbraw/zinc/16/94/25/1024169425.db2.gz XSHUJDIGVONBJH-GOSISDBHSA-N 1 0 363.502 2.671 20 10 FFCDRO O=C1CN([C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)c2ccccc2N1 ZINC000758975583 1024407449 /nfs/dbraw/zinc/40/74/49/1024407449.db2.gz WONBHNFMKVNMCK-SFHVURJKSA-N 1 0 363.461 2.914 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)cc1F ZINC000084866148 1025151223 /nfs/dbraw/zinc/15/12/23/1025151223.db2.gz NZDRNQGXYSWDMZ-UHFFFAOYSA-N 1 0 367.424 2.998 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245396716 1025420304 /nfs/dbraw/zinc/42/03/04/1025420304.db2.gz MGRZEAHOGRFXAS-FUHWJXTLSA-N 1 0 363.502 2.813 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245396717 1025420372 /nfs/dbraw/zinc/42/03/72/1025420372.db2.gz MGRZEAHOGRFXAS-SJLPKXTDSA-N 1 0 363.502 2.813 20 10 FFCDRO CN1CCOc2cc(C[N@H+](C)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 ZINC001141143677 1025518724 /nfs/dbraw/zinc/51/87/24/1025518724.db2.gz FNXOFPVYROQQTR-MRXNPFEDSA-N 1 0 361.486 2.956 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(CC(=O)N(CC5CC5)C4)CC3)ccc21 ZINC001141145375 1025521536 /nfs/dbraw/zinc/52/15/36/1025521536.db2.gz BBBPRVUYPXVLCI-UHFFFAOYSA-N 1 0 369.509 2.740 20 10 FFCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146213 1025523566 /nfs/dbraw/zinc/52/35/66/1025523566.db2.gz OSJPEQHCSDAYLQ-KRWDZBQOSA-N 1 0 369.465 2.962 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)C1 ZINC000246500617 1026204903 /nfs/dbraw/zinc/20/49/03/1026204903.db2.gz SOBGOHCHZZAQAE-PXNSSMCTSA-N 1 0 356.514 2.935 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000839497800 1026702047 /nfs/dbraw/zinc/70/20/47/1026702047.db2.gz KMCSGGCLPYUISU-HXUWFJFHSA-N 1 0 359.514 2.792 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(O)cc1C ZINC000840128151 1026971169 /nfs/dbraw/zinc/97/11/69/1026971169.db2.gz RTYJLYIBFZIJNA-OCCSQVGLSA-N 1 0 372.387 2.552 20 10 FFCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@H]2C1)C(F)(F)F ZINC000840128798 1026971292 /nfs/dbraw/zinc/97/12/92/1026971292.db2.gz VAEBDTRIMZEAPW-HOCLYGCPSA-N 1 0 368.399 2.724 20 10 FFCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000840176846 1026997188 /nfs/dbraw/zinc/99/71/88/1026997188.db2.gz FTOMFHPDUVJQDK-QRWLVFNGSA-N 1 0 354.450 2.524 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c3nc[nH]c3ccc2F)[NH+](C)C)cc1 ZINC001158716975 1027105624 /nfs/dbraw/zinc/10/56/24/1027105624.db2.gz JTFSNNSAOINXPR-KRWDZBQOSA-N 1 0 369.444 2.801 20 10 FFCDRO Cc1cccc(N(C(=O)Cc2ccc(N)cc2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159350745 1027363968 /nfs/dbraw/zinc/36/39/68/1027363968.db2.gz IUMLPGHMOXHMHK-UNMCSNQZSA-N 1 0 365.477 2.674 20 10 FFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000093415490 1027715149 /nfs/dbraw/zinc/71/51/49/1027715149.db2.gz HJRKDNQXTJZQLD-NRFANRHFSA-N 1 0 356.466 2.697 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000093534404 1027753949 /nfs/dbraw/zinc/75/39/49/1027753949.db2.gz RWLKVKCLSBANMD-CQSZACIVSA-N 1 0 358.398 2.781 20 10 FFCDRO CN(C)c1ccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nn1 ZINC001160616535 1027777068 /nfs/dbraw/zinc/77/70/68/1027777068.db2.gz MJTRLEKIQGXMDN-WOJBJXKFSA-N 1 0 365.437 2.807 20 10 FFCDRO COc1ncc(F)c(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160618729 1027778187 /nfs/dbraw/zinc/77/81/87/1027778187.db2.gz ITLBPTNVKFBWSG-IAGOWNOFSA-N 1 0 370.384 2.889 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C[C@H]([NH3+])CO ZINC001160929703 1027928291 /nfs/dbraw/zinc/92/82/91/1027928291.db2.gz KGXIBGQDQVEADF-IBGZPJMESA-N 1 0 364.489 2.775 20 10 FFCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000795725872 1028015044 /nfs/dbraw/zinc/01/50/44/1028015044.db2.gz LHZQTMXJFGCIGF-YJBOKZPZSA-N 1 0 371.433 2.870 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001161135133 1028029410 /nfs/dbraw/zinc/02/94/10/1028029410.db2.gz UBRWWZKENFNPIL-IBGZPJMESA-N 1 0 361.436 2.949 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)cc1C ZINC001104134603 1028600268 /nfs/dbraw/zinc/60/02/68/1028600268.db2.gz NIRZHGVSTJTDDB-SJLPKXTDSA-N 1 0 362.514 2.739 20 10 FFCDRO CN(C)c1nccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155628722 1028825884 /nfs/dbraw/zinc/82/58/84/1028825884.db2.gz DQFVCQLYCNLPKB-WJFTUGDTSA-N 1 0 353.514 2.942 20 10 FFCDRO Oc1cc2c(cc1O)CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CCC2 ZINC001155933511 1028980491 /nfs/dbraw/zinc/98/04/91/1028980491.db2.gz VVMUYWJPJANASS-UHFFFAOYSA-N 1 0 374.872 2.961 20 10 FFCDRO CCc1cnc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC001156256544 1029114613 /nfs/dbraw/zinc/11/46/13/1029114613.db2.gz DSLLPOHKSCTXSU-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO CCc1nccnc1NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001156260502 1029116430 /nfs/dbraw/zinc/11/64/30/1029116430.db2.gz FQNURHMRQBXBFQ-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)cc1 ZINC000781372096 1029173030 /nfs/dbraw/zinc/17/30/30/1029173030.db2.gz SFUKKHPNJRWPQE-INIZCTEOSA-N 1 0 372.513 2.614 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3ccc(Cl)nn3)cc2)CC1 ZINC001156655421 1029290264 /nfs/dbraw/zinc/29/02/64/1029290264.db2.gz ADZZZNAODFHHFF-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO CN(C)c1ccc(CN(C)c2ccc(OCC3CC[NH2+]CC3)nn2)cc1 ZINC001156928131 1029408476 /nfs/dbraw/zinc/40/84/76/1029408476.db2.gz LWHPYKJSVUYNIO-UHFFFAOYSA-N 1 0 355.486 2.557 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@]3(CC[C@H](C)C3)C1)cc2=O ZINC000782106787 1029571109 /nfs/dbraw/zinc/57/11/09/1029571109.db2.gz JQXQDARTDRSLNT-DJJJIMSYSA-N 1 0 358.442 2.624 20 10 FFCDRO c1cc(N2CCOCC2)ccc1CNc1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC000840885911 1029905691 /nfs/dbraw/zinc/90/56/91/1029905691.db2.gz IKEOUKIQGUASTG-UHFFFAOYSA-N 1 0 352.394 2.740 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000841030932 1029990643 /nfs/dbraw/zinc/99/06/43/1029990643.db2.gz PMKKNYBRZZLZKH-IBGZPJMESA-N 1 0 366.465 2.551 20 10 FFCDRO COc1cc2c(c(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)c1)O[C@@H](C)C2 ZINC000841042908 1029998067 /nfs/dbraw/zinc/99/80/67/1029998067.db2.gz MPEOGKQPCBYHIB-XOBRGWDASA-N 1 0 355.482 2.874 20 10 FFCDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045434 1030001366 /nfs/dbraw/zinc/00/13/66/1030001366.db2.gz KWLRDMAAECERKE-LIRRHRJNSA-N 1 0 358.461 2.898 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1ccccc1O ZINC000783521331 1030135394 /nfs/dbraw/zinc/13/53/94/1030135394.db2.gz VUCZXYYVSVKDMU-NEWSRXKRSA-N 1 0 365.477 2.642 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1 ZINC000783536781 1030143346 /nfs/dbraw/zinc/14/33/46/1030143346.db2.gz VKXUIJPQJWSXKM-APWZRJJASA-N 1 0 369.513 2.718 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)ccc21 ZINC000841322478 1030196389 /nfs/dbraw/zinc/19/63/89/1030196389.db2.gz RSLDPTFXVXLCLZ-KRWDZBQOSA-N 1 0 365.481 2.602 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C34CCC(CC3)C4)CC2)cc1 ZINC000783790902 1030280135 /nfs/dbraw/zinc/28/01/35/1030280135.db2.gz IBYGZUIUNWIFSU-UHFFFAOYSA-N 1 0 371.525 2.904 20 10 FFCDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000841689403 1030406518 /nfs/dbraw/zinc/40/65/18/1030406518.db2.gz CQLVZWMVVCLZBC-QAPCUYQASA-N 1 0 356.422 2.565 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@H]21 ZINC000841707137 1030418540 /nfs/dbraw/zinc/41/85/40/1030418540.db2.gz OETNEFLGGUDBQL-BHIYHBOVSA-N 1 0 374.554 2.509 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000841762110 1030449575 /nfs/dbraw/zinc/44/95/75/1030449575.db2.gz VBERFPGWFXEPTF-IAGOWNOFSA-N 1 0 362.493 2.813 20 10 FFCDRO CC[NH2+]CC1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000841779400 1030460842 /nfs/dbraw/zinc/46/08/42/1030460842.db2.gz RYBZJUMVIVQWCW-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000841827615 1030489452 /nfs/dbraw/zinc/48/94/52/1030489452.db2.gz OQEBXLYLCNZYBX-UHFFFAOYSA-N 1 0 354.498 2.774 20 10 FFCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1c1ccccc1 ZINC000841831057 1030493101 /nfs/dbraw/zinc/49/31/01/1030493101.db2.gz AGUDEENBDQNANC-LEWJYISDSA-N 1 0 362.477 2.699 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000841890421 1030523250 /nfs/dbraw/zinc/52/32/50/1030523250.db2.gz HSTFAPYDCKKXMN-LJQANCHMSA-N 1 0 352.482 2.633 20 10 FFCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(F)c(F)cc3[O-])O2)n1 ZINC001142512875 1030562533 /nfs/dbraw/zinc/56/25/33/1030562533.db2.gz OFUOONFJMHMPAV-FVQBIDKESA-N 1 0 351.353 2.856 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000841967078 1030564375 /nfs/dbraw/zinc/56/43/75/1030564375.db2.gz MAYLZJGXMUVAAU-UHFFFAOYSA-N 1 0 356.470 2.939 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841993903 1030571965 /nfs/dbraw/zinc/57/19/65/1030571965.db2.gz CBGCOKBKXQVHSJ-UHFFFAOYSA-N 1 0 374.529 2.530 20 10 FFCDRO CN1C[C@H](COCC2CC2)[C@H]2CC[N@H+](Cc3ccccc3O)CC[C@H]2C1=O ZINC001203553049 1030763643 /nfs/dbraw/zinc/76/36/43/1030763643.db2.gz ZMPQAUWTRSOGBP-VAMGGRTRSA-N 1 0 372.509 2.735 20 10 FFCDRO O=S(=O)(C1CC1)N1CCC2(CC1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203562615 1030766096 /nfs/dbraw/zinc/76/60/96/1030766096.db2.gz NEYQTDDQBCNPEA-UHFFFAOYSA-N 1 0 364.511 2.562 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001203601943 1030780315 /nfs/dbraw/zinc/78/03/15/1030780315.db2.gz SESXYYQADIPPSL-LBPRGKRZSA-N 1 0 369.343 2.863 20 10 FFCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cccc(OC)c1O ZINC001203600172 1030781269 /nfs/dbraw/zinc/78/12/69/1030781269.db2.gz UVHZTMYVDMYLFG-INIZCTEOSA-N 1 0 353.459 2.971 20 10 FFCDRO COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c(O)c1 ZINC001203621459 1030788058 /nfs/dbraw/zinc/78/80/58/1030788058.db2.gz VBNFFKIPCKUMFK-AWEZNQCLSA-N 1 0 354.422 2.792 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c(O)c1 ZINC001203628027 1030795112 /nfs/dbraw/zinc/79/51/12/1030795112.db2.gz WEWLXKLMKFVDLW-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(OC)cc1O ZINC001203634491 1030798287 /nfs/dbraw/zinc/79/82/87/1030798287.db2.gz IXNIRVUTRJSTAN-MRXNPFEDSA-N 1 0 353.459 2.971 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001203634964 1030799084 /nfs/dbraw/zinc/79/90/84/1030799084.db2.gz CUUVUIKOUSUONP-ZDUSSCGKSA-N 1 0 369.343 2.863 20 10 FFCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(Br)ccc3O)C2)N1 ZINC001203643264 1030801233 /nfs/dbraw/zinc/80/12/33/1030801233.db2.gz NDEXMQYGOGYCPX-INIZCTEOSA-N 1 0 353.260 2.789 20 10 FFCDRO Cc1cnc(N2CCN(Cc3cc(Br)ccc3O)CC2)nc1 ZINC001203648628 1030804068 /nfs/dbraw/zinc/80/40/68/1030804068.db2.gz OWSGDNNTVNVCCW-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)c1 ZINC001203678380 1030824005 /nfs/dbraw/zinc/82/40/05/1030824005.db2.gz MSHNKGRJLTZHAM-UHFFFAOYSA-N 1 0 367.449 2.891 20 10 FFCDRO Oc1ccc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)cc1O ZINC001203876889 1030950696 /nfs/dbraw/zinc/95/06/96/1030950696.db2.gz LIONHZXZLSNGLP-GPMSIDNRSA-N 1 0 356.422 2.551 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)cc1 ZINC001203931220 1030990330 /nfs/dbraw/zinc/99/03/30/1030990330.db2.gz DHBBKQRCEBYWBI-GHTZIAJQSA-N 1 0 355.482 2.678 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001203931169 1030991210 /nfs/dbraw/zinc/99/12/10/1030991210.db2.gz NZFKQECWNNHZJN-NQIIRXRSSA-N 1 0 367.468 2.982 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)cc1 ZINC001203933460 1030992428 /nfs/dbraw/zinc/99/24/28/1030992428.db2.gz LWVZBOODSAUILB-ACDBMABISA-N 1 0 353.466 2.730 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)cc1 ZINC001203939642 1030997956 /nfs/dbraw/zinc/99/79/56/1030997956.db2.gz QBCDFBNDTNLQQY-NJYVYQBISA-N 1 0 371.525 2.791 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001203937766 1030998152 /nfs/dbraw/zinc/99/81/52/1030998152.db2.gz QQAKMHJPHCJUIE-UHFFFAOYSA-N 1 0 353.466 2.895 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc3c2OCCO3)N(C)C)cc1 ZINC001203967871 1031020162 /nfs/dbraw/zinc/02/01/62/1031020162.db2.gz IXLQHZVAEGQSPC-IBGZPJMESA-N 1 0 355.482 2.916 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c2ccccc21 ZINC001204243314 1031184021 /nfs/dbraw/zinc/18/40/21/1031184021.db2.gz WOQQEJHGELNQKW-UHFFFAOYSA-N 1 0 350.422 2.665 20 10 FFCDRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204273270 1031199701 /nfs/dbraw/zinc/19/97/01/1031199701.db2.gz MFZOQIMQVVCORJ-UHFFFAOYSA-N 1 0 367.449 2.508 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c(O)c1 ZINC001204274045 1031202880 /nfs/dbraw/zinc/20/28/80/1031202880.db2.gz ZJPNHOABVYUTKD-QKNQBKEWSA-N 1 0 370.449 2.832 20 10 FFCDRO Cc1ccc(NC(=O)NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1C ZINC000843349653 1031342909 /nfs/dbraw/zinc/34/29/09/1031342909.db2.gz HQFBWIVRDCJSNQ-UHFFFAOYSA-N 1 0 366.465 2.863 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000843350563 1031344841 /nfs/dbraw/zinc/34/48/41/1031344841.db2.gz PBEFWAFKKYABSS-GOSISDBHSA-N 1 0 357.404 2.982 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843353084 1031344959 /nfs/dbraw/zinc/34/49/59/1031344959.db2.gz BLADHNHVDAXGKK-SCLBCKFNSA-N 1 0 369.465 2.675 20 10 FFCDRO Cc1cc(C(=O)CN2CCC(C)([NH3+])CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843375338 1031364466 /nfs/dbraw/zinc/36/44/66/1031364466.db2.gz IKNQHXZCJWMHKW-UHFFFAOYSA-N 1 0 369.465 2.819 20 10 FFCDRO Cn1cnc(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000843420183 1031392914 /nfs/dbraw/zinc/39/29/14/1031392914.db2.gz PVSMJIWAOANZOE-UHFFFAOYSA-N 1 0 352.438 2.822 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000843506750 1031433867 /nfs/dbraw/zinc/43/38/67/1031433867.db2.gz NEGZYFNSWXVVJT-OXQOHEQNSA-N 1 0 353.466 2.646 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000843504789 1031434748 /nfs/dbraw/zinc/43/47/48/1031434748.db2.gz HMYVNCWTDJNNJF-IIBYNOLFSA-N 1 0 353.466 2.512 20 10 FFCDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001204816606 1031445205 /nfs/dbraw/zinc/44/52/05/1031445205.db2.gz LVDAHINTVDJYHH-UHFFFAOYSA-N 1 0 362.392 2.783 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)cc1 ZINC001219203831 1033554357 /nfs/dbraw/zinc/55/43/57/1033554357.db2.gz OKOSIVNEVGMLME-LOKQZNEXSA-N 1 0 351.450 2.584 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[NH2+]CCN3C)cc2)cc1 ZINC001219204338 1033554713 /nfs/dbraw/zinc/55/47/13/1033554713.db2.gz ZEPIGSRMEAXWBE-KTBYTZPXSA-N 1 0 364.493 2.765 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830553961 1033671933 /nfs/dbraw/zinc/67/19/33/1033671933.db2.gz FLJCOBPAVWLTCP-GOSISDBHSA-N 1 0 354.450 2.669 20 10 FFCDRO Nc1ccc(CC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC001219669148 1033741783 /nfs/dbraw/zinc/74/17/83/1033741783.db2.gz NAQMLUWDPWHPBW-UHFFFAOYSA-N 1 0 351.494 2.882 20 10 FFCDRO Cc1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc(-c2ccccc2)n1-c1ccccc1 ZINC001219714609 1033784521 /nfs/dbraw/zinc/78/45/21/1033784521.db2.gz QIMRKOJXYBMGON-TZIWHRDSSA-N 1 0 361.445 2.515 20 10 FFCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000831133161 1033961397 /nfs/dbraw/zinc/96/13/97/1033961397.db2.gz RYPNQKQCTLMHRJ-MELADBBJSA-N 1 0 370.444 2.682 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138252414 1034022834 /nfs/dbraw/zinc/02/28/34/1034022834.db2.gz GMLWCABNYZVMKR-JKSUJKDBSA-N 1 0 373.497 2.947 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138258606 1034028584 /nfs/dbraw/zinc/02/85/84/1034028584.db2.gz WHYUFWSHZPHKFP-UHFFFAOYSA-N 1 0 366.465 2.918 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1N(C)C ZINC000831576318 1034129588 /nfs/dbraw/zinc/12/95/88/1034129588.db2.gz DJMVIZKXQNYISH-HOTGVXAUSA-N 1 0 369.431 2.904 20 10 FFCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)N1 ZINC001138338021 1034167917 /nfs/dbraw/zinc/16/79/17/1034167917.db2.gz AADYVSUZTKQGTK-QFIPXVFZSA-N 1 0 369.509 2.726 20 10 FFCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)N1 ZINC001138338020 1034168360 /nfs/dbraw/zinc/16/83/60/1034168360.db2.gz AADYVSUZTKQGTK-JOCHJYFZSA-N 1 0 369.509 2.726 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@H]1C ZINC001138340321 1034170740 /nfs/dbraw/zinc/17/07/40/1034170740.db2.gz TYZVHLQTPJBMTK-YOEHRIQHSA-N 1 0 358.482 2.865 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138342309 1034172942 /nfs/dbraw/zinc/17/29/42/1034172942.db2.gz QAEQHMJMBMWGDZ-GOSISDBHSA-N 1 0 357.498 2.534 20 10 FFCDRO COCCCN1CCC2(CC[NH+](Cc3cc(F)cc(C)c3O)CC2)C1=O ZINC001277026440 1034173218 /nfs/dbraw/zinc/17/32/18/1034173218.db2.gz RWWZJVADQDMXRU-UHFFFAOYSA-N 1 0 364.461 2.691 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3cc(F)cc(C)c3O)C2)OCC1=O ZINC001277026184 1034173614 /nfs/dbraw/zinc/17/36/14/1034173614.db2.gz MQTMVAXSKTVTAT-HXUWFJFHSA-N 1 0 362.445 2.609 20 10 FFCDRO CN1CCCc2cc(CN3CC[N@H+](Cc4ccccc4)[C@@H](CO)C3)ccc21 ZINC001138354973 1034190892 /nfs/dbraw/zinc/19/08/92/1034190892.db2.gz XEULWNQALSAOSO-JOCHJYFZSA-N 1 0 365.521 2.748 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c(OC)c1 ZINC001138392503 1034228721 /nfs/dbraw/zinc/22/87/21/1034228721.db2.gz YCSOIQCAWUAYMA-SFHVURJKSA-N 1 0 356.470 2.985 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748714 1034256758 /nfs/dbraw/zinc/25/67/58/1034256758.db2.gz KZEFEQACEUWTMD-UZLBHIALSA-N 1 0 353.466 2.728 20 10 FFCDRO CCc1nc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)no1 ZINC001138499481 1034341174 /nfs/dbraw/zinc/34/11/74/1034341174.db2.gz LZVNXPNIMPUDBX-UHFFFAOYSA-N 1 0 356.470 2.848 20 10 FFCDRO Brc1cc(C[N@@H+]2CCC3(COC3)C2)ccc1N1CCOCC1 ZINC001138676642 1034537751 /nfs/dbraw/zinc/53/77/51/1034537751.db2.gz QOGRPMLYHCMXKU-UHFFFAOYSA-N 1 0 367.287 2.508 20 10 FFCDRO COc1ccc(C[C@@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265937 1034688562 /nfs/dbraw/zinc/68/85/62/1034688562.db2.gz BZZNGJBJINSPFW-FOIQADDNSA-N 1 0 355.482 2.756 20 10 FFCDRO CC(C)Oc1ccccc1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279850 1034697023 /nfs/dbraw/zinc/69/70/23/1034697023.db2.gz LOLSNFQQNMBUMI-LJQANCHMSA-N 1 0 355.482 2.899 20 10 FFCDRO COc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000832293231 1034706020 /nfs/dbraw/zinc/70/60/20/1034706020.db2.gz RVQHBDDPXDSZRF-SFHVURJKSA-N 1 0 359.445 2.649 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)ccc1N(C)C ZINC001139671185 1035194331 /nfs/dbraw/zinc/19/43/31/1035194331.db2.gz UBKZHECILPPZEM-SFHLNBCPSA-N 1 0 371.525 2.567 20 10 FFCDRO Cc1cc(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)ccc1N(C)C ZINC001139674250 1035195156 /nfs/dbraw/zinc/19/51/56/1035195156.db2.gz QZSGVKGMYFHSKI-UHFFFAOYSA-N 1 0 359.514 2.664 20 10 FFCDRO NC(=O)c1cc2cc(N3CC[NH+](Cc4cc(F)ccc4O)CC3)ccc2o1 ZINC001140058553 1035325930 /nfs/dbraw/zinc/32/59/30/1035325930.db2.gz GWAUZYPYVGMZMP-UHFFFAOYSA-N 1 0 369.396 2.699 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cc(F)ccc4O)CC[N@@H+]3C2)n1 ZINC001140063516 1035327820 /nfs/dbraw/zinc/32/78/20/1035327820.db2.gz QUVIPCNXXPQGJG-VQTJNVASSA-N 1 0 371.456 2.710 20 10 FFCDRO O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140063752 1035328106 /nfs/dbraw/zinc/32/81/06/1035328106.db2.gz YIVPKQIDUSGWAQ-LSBZLQRGSA-N 1 0 371.412 2.544 20 10 FFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cccc1Br)C2 ZINC001140103335 1035342794 /nfs/dbraw/zinc/34/27/94/1035342794.db2.gz KOCLVVVMBAZYRZ-SRVKXCTJSA-N 1 0 354.244 2.928 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c1O ZINC001140180140 1035370063 /nfs/dbraw/zinc/37/00/63/1035370063.db2.gz IPVHKBDOZXSCMI-YTQUADARSA-N 1 0 358.482 2.515 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834566096 1035407938 /nfs/dbraw/zinc/40/79/38/1035407938.db2.gz BUQKCQFIMGKEQB-SFHVURJKSA-N 1 0 374.506 2.997 20 10 FFCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282995 1035417509 /nfs/dbraw/zinc/41/75/09/1035417509.db2.gz HTEBSXKKSOYYGG-FGZHOGPDSA-N 1 0 374.525 2.665 20 10 FFCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287778 1035420034 /nfs/dbraw/zinc/42/00/34/1035420034.db2.gz ASYTYFXFMMBZLV-GOSISDBHSA-N 1 0 360.498 2.813 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC12COC2 ZINC001140468672 1035486275 /nfs/dbraw/zinc/48/62/75/1035486275.db2.gz TZXHXDDRNNXIBC-HNNXBMFYSA-N 1 0 368.861 2.771 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835027399 1035489925 /nfs/dbraw/zinc/48/99/25/1035489925.db2.gz LMUAJIOREBUJCL-XQRVVYSFSA-N 1 0 359.514 2.631 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835027398 1035490035 /nfs/dbraw/zinc/49/00/35/1035490035.db2.gz LMUAJIOREBUJCL-GQCTYLIASA-N 1 0 359.514 2.631 20 10 FFCDRO O=C1OCCC12CC[NH+](Cc1ccc(N3CCOCC3)c(Cl)c1)CC2 ZINC001232202397 1035499332 /nfs/dbraw/zinc/49/93/32/1035499332.db2.gz YYXWIIWKQSJEKF-UHFFFAOYSA-N 1 0 364.873 2.706 20 10 FFCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(Cl)c(O)cc4O)C[C@H]3O2)n1 ZINC001232258375 1035528444 /nfs/dbraw/zinc/52/84/44/1035528444.db2.gz WEBLCMSTBOOEOK-CIISACIHSA-N 1 0 365.817 2.795 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262932 1035534383 /nfs/dbraw/zinc/53/43/83/1035534383.db2.gz WNNMYZZQKIBYMW-ZDUSSCGKSA-N 1 0 370.877 2.647 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@]3(C2)CN(CC(C)C)C(=O)CO3)cc1Cl ZINC001277213475 1035576576 /nfs/dbraw/zinc/57/65/76/1035576576.db2.gz MVRYAWOLRJUXFP-IBGZPJMESA-N 1 0 366.889 2.813 20 10 FFCDRO COC(=O)c1c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c2ccccc2n1C ZINC001232410726 1035660029 /nfs/dbraw/zinc/66/00/29/1035660029.db2.gz QYDKAAXZQYIORU-HKUYNNGSSA-N 1 0 373.472 2.973 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c1 ZINC001140620347 1035744699 /nfs/dbraw/zinc/74/46/99/1035744699.db2.gz KJHXEYHCWDAYGH-QGZVFWFLSA-N 1 0 358.482 2.740 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140748142 1036047319 /nfs/dbraw/zinc/04/73/19/1036047319.db2.gz SBXBCVQQNGDANB-UHFFFAOYSA-N 1 0 370.449 2.905 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1O ZINC001140749182 1036050178 /nfs/dbraw/zinc/05/01/78/1036050178.db2.gz ZRPTXLITHMVSJU-JXFKEZNVSA-N 1 0 356.422 2.614 20 10 FFCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccc(N(C)C)cc4O)C[C@H]3O2)n1 ZINC001232835996 1036088249 /nfs/dbraw/zinc/08/82/49/1036088249.db2.gz JMBNDWIKZBKVLN-DOPJRALCSA-N 1 0 358.442 2.502 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(O)c1 ZINC001232840004 1036092977 /nfs/dbraw/zinc/09/29/77/1036092977.db2.gz ZTNLWCMGBNYRJH-UHFFFAOYSA-N 1 0 352.438 2.922 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232838647 1036094762 /nfs/dbraw/zinc/09/47/62/1036094762.db2.gz BAFLCBQLIVBHPN-UHFFFAOYSA-N 1 0 356.470 2.574 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1c1ccccc1 ZINC001232841588 1036096500 /nfs/dbraw/zinc/09/65/00/1036096500.db2.gz KYTXILCLEYYHIV-OALUTQOASA-N 1 0 354.450 2.847 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1c1ccc(F)cc1 ZINC001232841204 1036098795 /nfs/dbraw/zinc/09/87/95/1036098795.db2.gz XXJNMMVOPOOEDI-MOPGFXCFSA-N 1 0 372.440 2.986 20 10 FFCDRO C[N@@H+](Cc1ccc(I)cc1O)CC1CCOCC1 ZINC001232974037 1036206846 /nfs/dbraw/zinc/20/68/46/1036206846.db2.gz GMWYDAWMXXLVNN-UHFFFAOYSA-N 1 0 361.223 2.855 20 10 FFCDRO CCOC1CC[NH+](Cc2ccc(I)cc2O)CC1 ZINC001232978793 1036209094 /nfs/dbraw/zinc/20/90/94/1036209094.db2.gz OKYUZVDVYPTRES-UHFFFAOYSA-N 1 0 361.223 2.998 20 10 FFCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1O ZINC001232979531 1036209994 /nfs/dbraw/zinc/20/99/94/1036209994.db2.gz FCEQDOXXCILVEH-CYBMUJFWSA-N 1 0 361.223 2.732 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001140857248 1036295907 /nfs/dbraw/zinc/29/59/07/1036295907.db2.gz NEJHLHBQMRQSQB-SFHVURJKSA-N 1 0 356.470 2.990 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/COc3ccccc3)cc2)CC1 ZINC001536524767 1069997069 /nfs/dbraw/zinc/99/70/69/1069997069.db2.gz VWOVRRAOOBMUTA-VMPITWQZSA-N 1 0 365.477 2.690 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(Cl)c1 ZINC001140924513 1036462635 /nfs/dbraw/zinc/46/26/35/1036462635.db2.gz RGNXHSUGRQXVRU-IYBDPMFKSA-N 1 0 357.889 2.764 20 10 FFCDRO CCOC(=O)c1c(C[NH+]2CCC3(CCC(=O)N3)CC2)c2ccccc2n1C ZINC001233273712 1036479522 /nfs/dbraw/zinc/47/95/22/1036479522.db2.gz OVJLUCORZNGEHU-UHFFFAOYSA-N 1 0 369.465 2.600 20 10 FFCDRO CCOC(=O)c1c(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c2ccccc2n1C ZINC001233272996 1036480287 /nfs/dbraw/zinc/48/02/87/1036480287.db2.gz KDFFCBZTSJJGFQ-BEFAXECRSA-N 1 0 355.482 2.881 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CC[C@H](CC(=O)OC)C2)c2ccccc2n1C ZINC001233273589 1036480393 /nfs/dbraw/zinc/48/03/93/1036480393.db2.gz JEFUUDMEVYBNEQ-CQSZACIVSA-N 1 0 358.438 2.740 20 10 FFCDRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)c(O)c1 ZINC001140952550 1036557607 /nfs/dbraw/zinc/55/76/07/1036557607.db2.gz WZCSYOMOZVDJEC-SFTDATJTSA-N 1 0 367.493 2.879 20 10 FFCDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418242 1036610356 /nfs/dbraw/zinc/61/03/56/1036610356.db2.gz YQXPHQUVDFLOCP-JKSUJKDBSA-N 1 0 357.420 2.621 20 10 FFCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483894 1036651015 /nfs/dbraw/zinc/65/10/15/1036651015.db2.gz PWDJMKQCZMHODC-UHFFFAOYSA-N 1 0 352.431 2.540 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233486133 1036653719 /nfs/dbraw/zinc/65/37/19/1036653719.db2.gz ZMJQVWXCFONLBX-BTTYYORXSA-N 1 0 364.442 2.824 20 10 FFCDRO CC(C)CN1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387589 1036675471 /nfs/dbraw/zinc/67/54/71/1036675471.db2.gz LENRCEWCRJFJRF-GOSISDBHSA-N 1 0 370.852 2.644 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCCCC[N@H+](C)C3CC3)CC2)cc1 ZINC000836681983 1036751678 /nfs/dbraw/zinc/75/16/78/1036751678.db2.gz KMZLOCVFVRIESS-UHFFFAOYSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c(OC)c1 ZINC001141032851 1036777732 /nfs/dbraw/zinc/77/77/32/1036777732.db2.gz PMDCYIRAVZYIIZ-CQSZACIVSA-N 1 0 374.437 2.856 20 10 FFCDRO CCc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@H](C)CC)C3)C2)c(O)c1 ZINC001277827073 1036885957 /nfs/dbraw/zinc/88/59/57/1036885957.db2.gz SQAFXNUNTNHDML-IERDGZPVSA-N 1 0 360.498 2.804 20 10 FFCDRO COc1ccc2ccc(O)c(CN3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001234543947 1037080007 /nfs/dbraw/zinc/08/00/07/1037080007.db2.gz BENILMULTNRRIU-KDURUIRLSA-N 1 0 368.477 2.849 20 10 FFCDRO C[C@H](C[NH+](C)C)Oc1c(O)c(=O)cc2[nH]c(-c3ccccc3)cc(O)c1-2 ZINC001234679138 1037137774 /nfs/dbraw/zinc/13/77/74/1037137774.db2.gz MFOHTCPIXXBGDD-GFCCVEGCSA-N 1 0 354.406 2.935 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC001207334246 1037358875 /nfs/dbraw/zinc/35/88/75/1037358875.db2.gz PEQALUJZIPKBKF-ZDUSSCGKSA-N 1 0 354.244 2.997 20 10 FFCDRO C[C@@H]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC001231166180 1037489618 /nfs/dbraw/zinc/48/96/18/1037489618.db2.gz KWBDFRUTWNOYAR-ATZDWAIDSA-N 1 0 362.518 2.612 20 10 FFCDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001231257981 1037513245 /nfs/dbraw/zinc/51/32/45/1037513245.db2.gz LNNROSZKHYYEPR-LBPRGKRZSA-N 1 0 369.397 2.844 20 10 FFCDRO COc1ccc(Br)c(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1O ZINC001231556133 1037679686 /nfs/dbraw/zinc/67/96/86/1037679686.db2.gz XLMFBZDRARWPDL-FZMZJTMJSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1ccc(Br)c(CN2CC([NH+]3CCCCC3)C2)c1O ZINC001231556724 1037680365 /nfs/dbraw/zinc/68/03/65/1037680365.db2.gz MKMYPCRCFUOVDS-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1O ZINC001231592456 1037710691 /nfs/dbraw/zinc/71/06/91/1037710691.db2.gz RFOMNKPKJVNAKZ-OAQYLSRUSA-N 1 0 353.466 2.967 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)c1O ZINC001231591797 1037712525 /nfs/dbraw/zinc/71/25/25/1037712525.db2.gz KYFYRTRCORVPBY-BHIYHBOVSA-N 1 0 367.449 2.714 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3O)C2)C1=O ZINC001277967658 1037735790 /nfs/dbraw/zinc/73/57/90/1037735790.db2.gz WOOCDJRDXQDSLJ-VFNWGFHPSA-N 1 0 358.482 2.918 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c(O)c1 ZINC001277967443 1037736754 /nfs/dbraw/zinc/73/67/54/1037736754.db2.gz SXBIPHFCLRSKTP-SFHVURJKSA-N 1 0 354.397 2.623 20 10 FFCDRO COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001235775925 1037737772 /nfs/dbraw/zinc/73/77/72/1037737772.db2.gz MTCGDJWSJCSQRH-QWHCGFSZSA-N 1 0 354.878 2.665 20 10 FFCDRO COCCCN(Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCC[NH2+]C1 ZINC001235807080 1037755263 /nfs/dbraw/zinc/75/52/63/1037755263.db2.gz SEXOWFOTMSBASD-OAQYLSRUSA-N 1 0 357.542 2.976 20 10 FFCDRO COc1cc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(O)cc1O ZINC001231633799 1037756572 /nfs/dbraw/zinc/75/65/72/1037756572.db2.gz YKXLLYXFRXJRNA-UHFFFAOYSA-N 1 0 369.421 2.999 20 10 FFCDRO COc1cc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c(O)cc1O ZINC001231635432 1037756695 /nfs/dbraw/zinc/75/66/95/1037756695.db2.gz IPIYBAFTSFJMBJ-UHFFFAOYSA-N 1 0 373.331 2.888 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)cc1O ZINC001231635826 1037757860 /nfs/dbraw/zinc/75/78/60/1037757860.db2.gz MPSJGJSWOFIUBB-ROUUACIJSA-N 1 0 354.450 2.670 20 10 FFCDRO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(OC)c(O)cc1O)C2 ZINC001231639573 1037761200 /nfs/dbraw/zinc/76/12/00/1037761200.db2.gz UVYXBPLPGWCSCH-CYBMUJFWSA-N 1 0 359.422 2.895 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(O)cc1O ZINC001231639174 1037761309 /nfs/dbraw/zinc/76/13/09/1037761309.db2.gz DUUOUISUUXDAMA-AWEZNQCLSA-N 1 0 360.410 2.553 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231640158 1037763955 /nfs/dbraw/zinc/76/39/55/1037763955.db2.gz PJBUFXKTOAJICX-LJQANCHMSA-N 1 0 366.458 2.843 20 10 FFCDRO CC1(N2CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)CC[NH2+]CC1 ZINC001235823426 1037770090 /nfs/dbraw/zinc/77/00/90/1037770090.db2.gz ZHYPUTCEVAMMNH-UHFFFAOYSA-N 1 0 358.313 2.959 20 10 FFCDRO c1ccc(C[C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001235856663 1037797223 /nfs/dbraw/zinc/79/72/23/1037797223.db2.gz VNJVMOWSUTZOOH-QFIPXVFZSA-N 1 0 351.494 2.540 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(CC)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236009805 1037888516 /nfs/dbraw/zinc/88/85/16/1037888516.db2.gz WKBSENPLDMKLLF-KRWDZBQOSA-N 1 0 364.486 2.688 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c(O)c1 ZINC001231846153 1037946392 /nfs/dbraw/zinc/94/63/92/1037946392.db2.gz CDTQXDIARZJWBC-INIZCTEOSA-N 1 0 364.486 2.813 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001231854192 1037951758 /nfs/dbraw/zinc/95/17/58/1037951758.db2.gz BAUDPRLEHROFCN-UHFFFAOYSA-N 1 0 361.530 2.836 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2cc(C)ncn2)CC1 ZINC001231857620 1037954236 /nfs/dbraw/zinc/95/42/36/1037954236.db2.gz LLKITUPIQHUGPB-UHFFFAOYSA-N 1 0 356.470 2.903 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC001231858392 1037957473 /nfs/dbraw/zinc/95/74/73/1037957473.db2.gz VSCUCWMAXUIYBP-QGZVFWFLSA-N 1 0 368.481 2.551 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cc1Cl ZINC001231869356 1037965533 /nfs/dbraw/zinc/96/55/33/1037965533.db2.gz MOQOVJGFIMBXAW-LJQANCHMSA-N 1 0 374.872 2.717 20 10 FFCDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001255494876 1037972223 /nfs/dbraw/zinc/97/22/23/1037972223.db2.gz WTQCSSIIJHYSOF-OAQYLSRUSA-N 1 0 366.509 2.877 20 10 FFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001208099080 1038030139 /nfs/dbraw/zinc/03/01/39/1038030139.db2.gz CNTJJCNGRASMIL-INIZCTEOSA-N 1 0 350.459 2.850 20 10 FFCDRO COc1ccc(N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)c(OC)c1 ZINC001236410611 1038076139 /nfs/dbraw/zinc/07/61/39/1038076139.db2.gz IKDGPPVQXFCEDP-UHFFFAOYSA-N 1 0 373.522 2.733 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cc(O)cc2O)N1CC1CCCC1 ZINC001276558804 1038083202 /nfs/dbraw/zinc/08/32/02/1038083202.db2.gz VWYDOXASWFKEJE-IAGOWNOFSA-N 1 0 360.454 2.559 20 10 FFCDRO COc1ccc(N2CC[NH+](C3CCC4(CC3)OCCO4)CC2)c(OC)c1 ZINC001255629110 1038086986 /nfs/dbraw/zinc/08/69/86/1038086986.db2.gz FAFDGLCOVQYPNM-UHFFFAOYSA-N 1 0 362.470 2.512 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232016742 1038108978 /nfs/dbraw/zinc/10/89/78/1038108978.db2.gz DYRBEXMQHHFWED-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO CC[NH+]1C[C@H]2CN(Cc3cc(OC)c(Br)cc3O)C[C@@H]2C1 ZINC001236750550 1038236015 /nfs/dbraw/zinc/23/60/15/1038236015.db2.gz JSYLGSIJCFOGQC-STQMWFEESA-N 1 0 355.276 2.547 20 10 FFCDRO COc1cc(O)c(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)cc1OC ZINC001236752916 1038237530 /nfs/dbraw/zinc/23/75/30/1038237530.db2.gz XWHWNOWKTWRYJZ-UHFFFAOYSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)cc1OC ZINC001236755488 1038240262 /nfs/dbraw/zinc/24/02/62/1038240262.db2.gz OXOWQQCYYMJAMO-QKDCVEJESA-N 1 0 374.481 2.536 20 10 FFCDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)cc1Br ZINC001236757752 1038244514 /nfs/dbraw/zinc/24/45/14/1038244514.db2.gz WYZILVNERIHIHL-MRXNPFEDSA-N 1 0 355.276 2.691 20 10 FFCDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)cc1Br ZINC001236756920 1038245218 /nfs/dbraw/zinc/24/52/18/1038245218.db2.gz PBRWJPNJVVQZEG-OLZOCXBDSA-N 1 0 355.276 2.832 20 10 FFCDRO C[C@]1(CO)C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@@H]1O ZINC001236778515 1038263574 /nfs/dbraw/zinc/26/35/74/1038263574.db2.gz ICIKZHNSPFLWPL-LEWJYISDSA-N 1 0 357.450 2.536 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c(O)c1 ZINC001236806712 1038280802 /nfs/dbraw/zinc/28/08/02/1038280802.db2.gz AARZETSUUXPDMY-UHFFFAOYSA-N 1 0 372.469 2.633 20 10 FFCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001236807956 1038282213 /nfs/dbraw/zinc/28/22/13/1038282213.db2.gz IMQPQCAPZMQRPK-CALCHBBNSA-N 1 0 353.466 2.668 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-n2cncn2)c1 ZINC001236885655 1038328335 /nfs/dbraw/zinc/32/83/35/1038328335.db2.gz SETXPCFOBXUPLO-UHFFFAOYSA-N 1 0 363.465 2.736 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(Br)c1 ZINC001237069474 1038433218 /nfs/dbraw/zinc/43/32/18/1038433218.db2.gz GBMFMCUTHIMUGT-INIZCTEOSA-N 1 0 370.243 2.835 20 10 FFCDRO COC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256237409 1038446085 /nfs/dbraw/zinc/44/60/85/1038446085.db2.gz ZVULPLAJWJMNDZ-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO COC(=O)[C@@H](C)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001208725886 1038497953 /nfs/dbraw/zinc/49/79/53/1038497953.db2.gz UGKBDMBOJWZGDX-KRWDZBQOSA-N 1 0 369.465 2.592 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCC(C)(C)OC(C)=O)CC2)c(OC)c1 ZINC001209157998 1038689785 /nfs/dbraw/zinc/68/97/85/1038689785.db2.gz JAUHEYZUXKMEEI-UHFFFAOYSA-N 1 0 364.486 2.948 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CN(C(=O)NCC(F)(F)F)C3)CC2)c1 ZINC001278617218 1038847234 /nfs/dbraw/zinc/84/72/34/1038847234.db2.gz WTBYTGKDCHVZLH-UHFFFAOYSA-N 1 0 371.403 2.870 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)CCSC)CC2)cc1 ZINC001258200139 1039265035 /nfs/dbraw/zinc/26/50/35/1039265035.db2.gz QEKSISSTJIURCB-KRWDZBQOSA-N 1 0 351.560 2.939 20 10 FFCDRO COC1([C@@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001251935014 1039366887 /nfs/dbraw/zinc/36/68/87/1039366887.db2.gz CJBVUKYFSSIEAT-CRAIPNDOSA-N 1 0 362.518 2.612 20 10 FFCDRO C[NH+]1CCC(COc2ccccc2NC[C@H](O)COCc2ccco2)CC1 ZINC001252652363 1039633290 /nfs/dbraw/zinc/63/32/90/1039633290.db2.gz LWLNKLJJCPGCGN-SFHVURJKSA-N 1 0 374.481 2.990 20 10 FFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001278687232 1039781438 /nfs/dbraw/zinc/78/14/38/1039781438.db2.gz LXFLUUUDLQDQLQ-HXUWFJFHSA-N 1 0 367.484 2.910 20 10 FFCDRO O=c1cccc(C[N@H+]2CCC3(CN(Cc4c(O)cccc4Cl)C3)C2)[nH]1 ZINC001278490132 1039840754 /nfs/dbraw/zinc/84/07/54/1039840754.db2.gz AIBZKTXLOXETIU-UHFFFAOYSA-N 1 0 359.857 2.854 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3COC4(C[NH2+]C4)C3)n2)cc1 ZINC001247873362 1040010951 /nfs/dbraw/zinc/01/09/51/1040010951.db2.gz NUATZTDVHGDZSJ-MRXNPFEDSA-N 1 0 350.422 2.990 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CO[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC001247925451 1040055473 /nfs/dbraw/zinc/05/54/73/1040055473.db2.gz ZQKUXEDYIHLMGQ-KZNAEPCWSA-N 1 0 350.422 2.846 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001253432816 1040178395 /nfs/dbraw/zinc/17/83/95/1040178395.db2.gz MRSYNOFTXFPRPW-GOSISDBHSA-N 1 0 373.449 2.703 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001253436415 1040181581 /nfs/dbraw/zinc/18/15/81/1040181581.db2.gz RXBZHCJTWRBPOV-QGZVFWFLSA-N 1 0 373.449 2.703 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(COCCOCC[NH3+])n2)cc1 ZINC001248345354 1040239310 /nfs/dbraw/zinc/23/93/10/1040239310.db2.gz GYYSNDOOHIMIMC-UHFFFAOYSA-N 1 0 356.426 2.636 20 10 FFCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001253996354 1040499947 /nfs/dbraw/zinc/49/99/47/1040499947.db2.gz CECUTEIFWYBXLP-GOSISDBHSA-N 1 0 371.504 2.691 20 10 FFCDRO NC(=O)c1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC001254018200 1040520878 /nfs/dbraw/zinc/52/08/78/1040520878.db2.gz FJGLTUBFXHPLDB-UHFFFAOYSA-N 1 0 364.493 2.708 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c(O)c1 ZINC001249207872 1040628524 /nfs/dbraw/zinc/62/85/24/1040628524.db2.gz LBLKAONTHRYSGH-INIZCTEOSA-N 1 0 373.453 2.994 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001249215244 1040630636 /nfs/dbraw/zinc/63/06/36/1040630636.db2.gz XPSHJMMVATVLAV-INIZCTEOSA-N 1 0 363.454 2.804 20 10 FFCDRO CC1(C)C=Cc2c(O)c(CN3Cc4ccnn4CC[C@@H]3CO)ccc2O1 ZINC001249259367 1040654984 /nfs/dbraw/zinc/65/49/84/1040654984.db2.gz UTYBKGCXGGFXSS-MRXNPFEDSA-N 1 0 355.438 2.540 20 10 FFCDRO COc1cc(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc(OC)c1OC ZINC001249339613 1040690724 /nfs/dbraw/zinc/69/07/24/1040690724.db2.gz NNNOPKONJLPFGU-CYBMUJFWSA-N 1 0 371.393 2.711 20 10 FFCDRO Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1C ZINC001261002582 1040925542 /nfs/dbraw/zinc/92/55/42/1040925542.db2.gz PLBSQSCXUWXCIK-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)cc1Br ZINC001250136866 1041126361 /nfs/dbraw/zinc/12/63/61/1041126361.db2.gz ZZNHZZGNKZFNFL-DOMZBBRYSA-N 1 0 367.287 2.906 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)c1O ZINC001278560733 1041170226 /nfs/dbraw/zinc/17/02/26/1041170226.db2.gz JYGJWRCLGVYIOA-DOTOQJQBSA-N 1 0 372.490 2.738 20 10 FFCDRO COCOc1ccc2[nH]c(-c3cc(C[NH+](C)C)c(O)c(OC)c3)nc2c1 ZINC001250767133 1041353749 /nfs/dbraw/zinc/35/37/49/1041353749.db2.gz UNEKWCQIQYCXPM-UHFFFAOYSA-N 1 0 357.410 2.988 20 10 FFCDRO C[C@H](NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)c1ccccc1O ZINC001263175522 1042149621 /nfs/dbraw/zinc/14/96/21/1042149621.db2.gz DSPTVOMQJXCDMH-CMPLNLGQSA-N 1 0 352.356 2.947 20 10 FFCDRO Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001279225310 1042951847 /nfs/dbraw/zinc/95/18/47/1042951847.db2.gz DUVRYLSGTUWXAN-UHFFFAOYSA-N 1 0 359.495 2.961 20 10 FFCDRO COc1ccc(Br)c(CN2CCCC3(C[NH+](C)C3)C2)c1O ZINC001279282218 1042982209 /nfs/dbraw/zinc/98/22/09/1042982209.db2.gz NYKOQWFEIKQSQA-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO CC(C)(C)c1ccc(C[NH+]2CC3(CCN3CCn3ccnc3)C2)c(O)c1 ZINC001279395451 1043051540 /nfs/dbraw/zinc/05/15/40/1043051540.db2.gz OLVFIGJSEQTUST-UHFFFAOYSA-N 1 0 354.498 2.847 20 10 FFCDRO COc1ccc(N2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1F ZINC001278075501 1043082869 /nfs/dbraw/zinc/08/28/69/1043082869.db2.gz PDXSTLIEZMICON-FQEVSTJZSA-N 1 0 363.477 2.605 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCN(Cc2cccc(=O)[nH]2)C3)c(O)c1 ZINC001279431864 1043106133 /nfs/dbraw/zinc/10/61/33/1043106133.db2.gz CJVYWIAAPXGPQC-UHFFFAOYSA-N 1 0 353.466 2.818 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3c(C)cc(C)cc3O)[C@@H]2C1 ZINC001279432963 1043107394 /nfs/dbraw/zinc/10/73/94/1043107394.db2.gz QCBDHEZRDZMHFW-PKOBYXMFSA-N 1 0 354.498 2.932 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@H]21 ZINC001279432886 1043107681 /nfs/dbraw/zinc/10/76/81/1043107681.db2.gz PDVXYIDMACBDSC-HKUYNNGSSA-N 1 0 373.522 2.859 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc2ccccc2c1O ZINC001279437573 1043112106 /nfs/dbraw/zinc/11/21/06/1043112106.db2.gz LQCCJYFYKCTGRU-PMACEKPBSA-N 1 0 356.466 2.815 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001237487500 1043201138 /nfs/dbraw/zinc/20/11/38/1043201138.db2.gz JKVFYCKFSUTBGA-ZDUSSCGKSA-N 1 0 364.243 2.906 20 10 FFCDRO O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001279524458 1043222482 /nfs/dbraw/zinc/22/24/82/1043222482.db2.gz MAUUBMIRFLIETG-KBPBESRZSA-N 1 0 350.846 2.983 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3c(C)n(C)c4ccccc43)[C@@H]2C1 ZINC001279540513 1043237771 /nfs/dbraw/zinc/23/77/71/1043237771.db2.gz KWTPVWYNJMHPTP-LAUBAEHRSA-N 1 0 357.498 2.613 20 10 FFCDRO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001279550764 1043246497 /nfs/dbraw/zinc/24/64/97/1043246497.db2.gz CPUHYFQKSPGCNA-HKUYNNGSSA-N 1 0 356.514 2.693 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)cc1Cl ZINC001279572265 1043276941 /nfs/dbraw/zinc/27/69/41/1043276941.db2.gz FYNUHQMFRTVXPD-UHFFFAOYSA-N 1 0 362.861 2.572 20 10 FFCDRO COc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(O)c(OC)c1 ZINC001237676584 1043304790 /nfs/dbraw/zinc/30/47/90/1043304790.db2.gz QEXHYVONZLMLOH-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO COc1cc(C[NH+]2CC(C)(CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237684217 1043311581 /nfs/dbraw/zinc/31/15/81/1043311581.db2.gz OPNMRCGWSZDMIE-UHFFFAOYSA-N 1 0 366.458 2.756 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc1Br ZINC001237687071 1043312966 /nfs/dbraw/zinc/31/29/66/1043312966.db2.gz ZBFYMSRXJNYNCK-ZDUSSCGKSA-N 1 0 364.243 2.906 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(Cc2cccc(I)c2O)C1 ZINC001237781035 1043353910 /nfs/dbraw/zinc/35/39/10/1043353910.db2.gz RCADQNIRRZJYIZ-ZDUSSCGKSA-N 1 0 374.266 2.913 20 10 FFCDRO CCC[NH+]1CCN(Cc2cccc(I)c2O)CC1 ZINC001237781079 1043354432 /nfs/dbraw/zinc/35/44/32/1043354432.db2.gz RQFODJKUTZUHGH-UHFFFAOYSA-N 1 0 360.239 2.524 20 10 FFCDRO C[NH+]1CC2(CN(Cc3cc(Br)cc(C(F)(F)F)c3[O-])C2)C1 ZINC001237785995 1043357947 /nfs/dbraw/zinc/35/79/47/1043357947.db2.gz MITKCZDZNSRDPI-UHFFFAOYSA-N 1 0 365.193 2.921 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001279671310 1043439613 /nfs/dbraw/zinc/43/96/13/1043439613.db2.gz PXMIUEAKDKTWHH-UHFFFAOYSA-N 1 0 356.470 2.612 20 10 FFCDRO OC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)CCN1Cc1ccccc1 ZINC001237940062 1043445987 /nfs/dbraw/zinc/44/59/87/1043445987.db2.gz ASOAPDCKCRVPMS-MRXNPFEDSA-N 1 0 364.848 2.863 20 10 FFCDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(F)c1Cl ZINC001279683260 1043461759 /nfs/dbraw/zinc/46/17/59/1043461759.db2.gz CXHSWLZVWCFMTL-AGUYFDCRSA-N 1 0 372.868 2.890 20 10 FFCDRO Cc1cc(F)cc(C[N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC001238058351 1043505437 /nfs/dbraw/zinc/50/54/37/1043505437.db2.gz QYHBGFLJVUCPHE-INIZCTEOSA-N 1 0 368.449 2.907 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001238061363 1043509167 /nfs/dbraw/zinc/50/91/67/1043509167.db2.gz LXHDXKCSBIBJOU-RXVVDRJESA-N 1 0 354.425 2.945 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001238061364 1043509408 /nfs/dbraw/zinc/50/94/08/1043509408.db2.gz LXHDXKCSBIBJOU-WIYYLYMNSA-N 1 0 354.425 2.945 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001238067314 1043512467 /nfs/dbraw/zinc/51/24/67/1043512467.db2.gz RTEBTLDKAFOLCK-SFHVURJKSA-N 1 0 358.413 2.982 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CCCCO2)cc1 ZINC001279744491 1043575434 /nfs/dbraw/zinc/57/54/34/1043575434.db2.gz SPDDZMGFZDBSCM-LCLWPZTBSA-N 1 0 357.498 2.811 20 10 FFCDRO C[C@@H]1CC[C@](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(CC(=O)[O-])C1 ZINC000756314461 1043578301 /nfs/dbraw/zinc/57/83/01/1043578301.db2.gz ZVCVBLRCMYIQON-DYESRHJHSA-N 1 0 359.514 2.809 20 10 FFCDRO COc1ccc(N2CCC3(CCC[N@H+](CC(=O)N(C)C)C3)CC2)cc1F ZINC001279762007 1043603492 /nfs/dbraw/zinc/60/34/92/1043603492.db2.gz JEOWQHKJKAJEJV-UHFFFAOYSA-N 1 0 363.477 2.605 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2)N1CCCC12CC2 ZINC001279845893 1043764196 /nfs/dbraw/zinc/76/41/96/1043764196.db2.gz MRVVLIKGEXQAIB-QGZVFWFLSA-N 1 0 356.466 2.855 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c(O)c1 ZINC001279955620 1043980772 /nfs/dbraw/zinc/98/07/72/1043980772.db2.gz HNLDVWSILJZDCA-OALUTQOASA-N 1 0 358.482 2.699 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)c(O)c1 ZINC001279955589 1043981060 /nfs/dbraw/zinc/98/10/60/1043981060.db2.gz GLHMPMFKPWWRDF-UHFFFAOYSA-N 1 0 358.482 2.558 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH+](Cc2ccccc2O)CC3)C[C@H](C)O1 ZINC001279968244 1044001748 /nfs/dbraw/zinc/00/17/48/1044001748.db2.gz IJJHGYGQOLYJOO-SOLBZPMBSA-N 1 0 358.482 2.630 20 10 FFCDRO COc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001279980465 1044026693 /nfs/dbraw/zinc/02/66/93/1044026693.db2.gz NLTWNDCZEODABW-DQPZFDDXSA-N 1 0 362.445 2.620 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)c1 ZINC001279986933 1044042000 /nfs/dbraw/zinc/04/20/00/1044042000.db2.gz ZSACSJQOSCWQQT-DRUAIGIBSA-N 1 0 362.445 2.762 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001280080494 1044180982 /nfs/dbraw/zinc/18/09/82/1044180982.db2.gz FRSQMACRGQPUCL-LAUBAEHRSA-N 1 0 357.498 2.596 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001312885102 1044186678 /nfs/dbraw/zinc/18/66/78/1044186678.db2.gz OPELIMLWTPQDIE-LWCVALJOSA-N 1 0 358.530 2.631 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC[C@]23CCCO3)[NH+](C)C)cc1 ZINC001313206770 1044271970 /nfs/dbraw/zinc/27/19/70/1044271970.db2.gz LCJHGUJPNSETAH-SBHAEUEKSA-N 1 0 374.529 2.756 20 10 FFCDRO COC[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001313335270 1044320596 /nfs/dbraw/zinc/32/05/96/1044320596.db2.gz LZLXVBGMQHYJIK-IEBWSBKVSA-N 1 0 364.534 2.573 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCOC23CCCC3)[NH+](C)C)cc1 ZINC001313394227 1044344300 /nfs/dbraw/zinc/34/43/00/1044344300.db2.gz KXJZUKNXOYQFEK-RTBURBONSA-N 1 0 374.529 2.756 20 10 FFCDRO O=c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)ccn1Cc1ccccc1F ZINC001240491307 1044368209 /nfs/dbraw/zinc/36/82/09/1044368209.db2.gz GPHUWHXWETUCDI-UHFFFAOYSA-N 1 0 364.424 2.507 20 10 FFCDRO CCN(C(=O)[C@@H]1COCCC12C[NH+](Cc1cc(F)ccc1O)C2)C(C)C ZINC001280293029 1044562313 /nfs/dbraw/zinc/56/23/13/1044562313.db2.gz HYFFLKGDVRQJAM-KRWDZBQOSA-N 1 0 364.461 2.627 20 10 FFCDRO O=c1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccn1Cc1ccccc1F ZINC001241777684 1044598473 /nfs/dbraw/zinc/59/84/73/1044598473.db2.gz PKDAMCKKAZVVKR-UHFFFAOYSA-N 1 0 352.413 2.824 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cn[nH]c3)CC2)c1O ZINC001280345790 1044634316 /nfs/dbraw/zinc/63/43/16/1044634316.db2.gz DQGZFCZXRRNNID-QGZVFWFLSA-N 1 0 354.454 2.973 20 10 FFCDRO CN(C)c1ccc(CNC(=O)c2ccccc2N2CC[NH+](C)CC2)cc1F ZINC001318561321 1044750165 /nfs/dbraw/zinc/75/01/65/1044750165.db2.gz LGJQAAFYKMMWOG-UHFFFAOYSA-N 1 0 370.472 2.574 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=S)NCC3CCC3)cc2F)CC1 ZINC001318573838 1044754355 /nfs/dbraw/zinc/75/43/55/1044754355.db2.gz DCYHMWWHBRKEED-UHFFFAOYSA-N 1 0 364.534 2.732 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC001319434961 1045149388 /nfs/dbraw/zinc/14/93/88/1045149388.db2.gz NSHIFBMQVSMXFJ-LJQANCHMSA-N 1 0 363.889 2.790 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)cc2F)CC1 ZINC001319701138 1045244678 /nfs/dbraw/zinc/24/46/78/1045244678.db2.gz CQXBZAHAJGFIFX-SFHVURJKSA-N 1 0 357.477 2.611 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC001318432932 1045299258 /nfs/dbraw/zinc/29/92/58/1045299258.db2.gz BECCVZBAMGEKHH-QGZVFWFLSA-N 1 0 374.916 2.723 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001318516977 1045319817 /nfs/dbraw/zinc/31/98/17/1045319817.db2.gz OQFBXYCYDAGMDY-PMACEKPBSA-N 1 0 374.529 2.790 20 10 FFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC001324436859 1046028766 /nfs/dbraw/zinc/02/87/66/1046028766.db2.gz OZWISBFHDWYOTI-ZIAGYGMSSA-N 1 0 370.291 2.827 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001324524489 1046080147 /nfs/dbraw/zinc/08/01/47/1046080147.db2.gz USKJMAZUUXRUTI-MRXNPFEDSA-N 1 0 361.511 2.732 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@](O)(C3CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001324722605 1046186769 /nfs/dbraw/zinc/18/67/69/1046186769.db2.gz YOGMBNXPOOCGAQ-FQEVSTJZSA-N 1 0 357.429 2.658 20 10 FFCDRO COc1c(C)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001288329609 1047448789 /nfs/dbraw/zinc/44/87/89/1047448789.db2.gz DLOZCJLXLKAQFL-UHFFFAOYSA-N 1 0 367.493 2.994 20 10 FFCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)C[C@@H]21 ZINC001331304453 1047853655 /nfs/dbraw/zinc/85/36/55/1047853655.db2.gz RUEUDAZQDHMVQN-ZBFHGGJFSA-N 1 0 362.437 2.564 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001329746803 1048888972 /nfs/dbraw/zinc/88/89/72/1048888972.db2.gz ZESDGAZFPFQGCQ-YJNKXOJESA-N 1 0 352.500 2.699 20 10 FFCDRO CS(=O)(=O)c1cccc2c1CCCN2Cc1cccc2c1CC[NH2+]C2 ZINC001329925420 1048970073 /nfs/dbraw/zinc/97/00/73/1048970073.db2.gz JMKIHGMRUNDLJH-UHFFFAOYSA-N 1 0 356.491 2.689 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3cccc4c3CCOC4)cc2F)CC1 ZINC001330344352 1049139853 /nfs/dbraw/zinc/13/98/53/1049139853.db2.gz WQGPPQOKHJZTER-UHFFFAOYSA-N 1 0 369.484 2.940 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC001330809063 1049338915 /nfs/dbraw/zinc/33/89/15/1049338915.db2.gz TXAVLKGMRKOPMY-UHFFFAOYSA-N 1 0 368.886 2.942 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1n1ccnc1 ZINC001341604656 1050231404 /nfs/dbraw/zinc/23/14/04/1050231404.db2.gz LEAJPOYMRCOOFI-UTKZUKDTSA-N 1 0 371.504 2.857 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)cc1 ZINC001340045103 1050455693 /nfs/dbraw/zinc/45/56/93/1050455693.db2.gz PVFMJYNPYANDFX-MISYRCLQSA-N 1 0 359.514 2.696 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001341987535 1050582653 /nfs/dbraw/zinc/58/26/53/1050582653.db2.gz FNRHDKQTCIMCKG-AWEZNQCLSA-N 1 0 371.506 2.659 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC001302816366 1051204417 /nfs/dbraw/zinc/20/44/17/1051204417.db2.gz ITVKSUDVBKHPCH-OAQYLSRUSA-N 1 0 355.482 2.541 20 10 FFCDRO Cc1cc(Cl)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1N ZINC001303085073 1051273363 /nfs/dbraw/zinc/27/33/63/1051273363.db2.gz MFEBNQKJWLSNSS-UHFFFAOYSA-N 1 0 372.900 2.912 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001542490752 1071241499 /nfs/dbraw/zinc/24/14/99/1071241499.db2.gz XQSFPIOBVRJXDF-PXNSSMCTSA-N 1 0 361.530 2.848 20 10 FFCDRO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(=O)CC[C@@H]2C)C1 ZINC001304333632 1051594662 /nfs/dbraw/zinc/59/46/62/1051594662.db2.gz IIXKVSOMPDSGEL-INIZCTEOSA-N 1 0 367.493 2.988 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]c3c2CCCCC3)[NH+](C)C)cc1 ZINC001304769213 1051689767 /nfs/dbraw/zinc/68/97/67/1051689767.db2.gz SXELGFWXXMQCPP-LJQANCHMSA-N 1 0 369.513 2.777 20 10 FFCDRO O=C(NCCCSc1nccs1)c1cnc(C2CC[NH2+]CC2)o1 ZINC001343263651 1052114594 /nfs/dbraw/zinc/11/45/94/1052114594.db2.gz ZGNWBAUWRBYJLC-UHFFFAOYSA-N 1 0 352.485 2.510 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3OCCc4ccccc43)cc2F)CC1 ZINC001308262240 1052438631 /nfs/dbraw/zinc/43/86/31/1052438631.db2.gz KFUROBPBKDWUQZ-QFIPXVFZSA-N 1 0 369.484 2.981 20 10 FFCDRO O=C1OCCN1c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001308343052 1052448158 /nfs/dbraw/zinc/44/81/58/1052448158.db2.gz LHKLGQOFJSTORJ-UHFFFAOYSA-N 1 0 367.449 2.770 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001308524403 1052464971 /nfs/dbraw/zinc/46/49/71/1052464971.db2.gz LGVPCONWNXRUPI-UHFFFAOYSA-N 1 0 368.437 2.586 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn3cccc(F)c3n2)N(C)C)cc1 ZINC001308543922 1052466599 /nfs/dbraw/zinc/46/65/99/1052466599.db2.gz MKWOQVZACWHDMR-LJQANCHMSA-N 1 0 355.461 2.932 20 10 FFCDRO COc1cc(C)c(C[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)c(O)c1 ZINC001308872171 1052509920 /nfs/dbraw/zinc/50/99/20/1052509920.db2.gz PQIQYGCUJIOLKE-UHFFFAOYSA-N 1 0 366.421 2.928 20 10 FFCDRO COC(=O)c1c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c2cc(F)ccc2n1C ZINC001308904159 1052515632 /nfs/dbraw/zinc/51/56/32/1052515632.db2.gz IWERUDNSEHHUOZ-CXAGYDPISA-N 1 0 359.445 2.630 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](c3ccc(N(C)C)cc3)N(C)C)[C@@H]2C1 ZINC001308970823 1052529190 /nfs/dbraw/zinc/52/91/90/1052529190.db2.gz CHUVIGKMUMGTAF-ZJXIFLPPSA-N 1 0 359.514 2.533 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnc(OC3CCC3)c2)cc1 ZINC001346103207 1052749205 /nfs/dbraw/zinc/74/92/05/1052749205.db2.gz FUJAJNLMBVMYLV-SFHVURJKSA-N 1 0 354.454 2.509 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001543233116 1071422447 /nfs/dbraw/zinc/42/24/47/1071422447.db2.gz DQVBQUMPAMLNPQ-HRCADAONSA-N 1 0 365.493 2.643 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)Cc1ccccc1S(N)(=O)=O ZINC001347702993 1054240475 /nfs/dbraw/zinc/24/04/75/1054240475.db2.gz XRDIMTZHYRZYGL-UHFFFAOYSA-N 1 0 359.495 2.566 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCc1ccccc1 ZINC000848921141 1055368483 /nfs/dbraw/zinc/36/84/83/1055368483.db2.gz OUZDMCWEYPKGSQ-GOSISDBHSA-N 1 0 367.493 2.660 20 10 FFCDRO C[C@@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC001338359655 1055445648 /nfs/dbraw/zinc/44/56/48/1055445648.db2.gz WGSJYRMLCSPBRR-QGZVFWFLSA-N 1 0 366.509 2.995 20 10 FFCDRO COc1ccc([C@H](CNC(=O)NCc2ccc(N)cc2)[NH+]2CCCC2)cc1 ZINC001338431151 1055508485 /nfs/dbraw/zinc/50/84/85/1055508485.db2.gz LXNPGPZIWISVLT-FQEVSTJZSA-N 1 0 368.481 2.914 20 10 FFCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000849070597 1055628130 /nfs/dbraw/zinc/62/81/30/1055628130.db2.gz VNRSCBMACYJMQX-UHFFFAOYSA-N 1 0 370.472 2.909 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001338751416 1055784758 /nfs/dbraw/zinc/78/47/58/1055784758.db2.gz UOULJKRLZNENMB-HDICACEKSA-N 1 0 359.499 2.561 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001353339482 1056311886 /nfs/dbraw/zinc/31/18/86/1056311886.db2.gz KNOQCCYHOAMCQT-NRFANRHFSA-N 1 0 356.514 2.960 20 10 FFCDRO COc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)c1 ZINC000849349994 1056836337 /nfs/dbraw/zinc/83/63/37/1056836337.db2.gz MPSWHRCFPIXAJZ-SJLPKXTDSA-N 1 0 360.429 2.784 20 10 FFCDRO c1cc(N2CCOCC2)ccc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000849352652 1056837480 /nfs/dbraw/zinc/83/74/80/1056837480.db2.gz ORFGMDWEBVSHAY-OAQYLSRUSA-N 1 0 353.466 2.796 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2ccccc2O)[C@H](c2cnn(C)c2)C1 ZINC000849565237 1056913314 /nfs/dbraw/zinc/91/33/14/1056913314.db2.gz XWNRYCYRBXBUKZ-MOPGFXCFSA-N 1 0 370.497 2.598 20 10 FFCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCO1 ZINC001445883398 1058452715 /nfs/dbraw/zinc/45/27/15/1058452715.db2.gz MXUSBXXQEUQYIK-QANKJYHBSA-N 1 0 366.889 2.941 20 10 FFCDRO Cc1cc(CC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001451750963 1059141922 /nfs/dbraw/zinc/14/19/22/1059141922.db2.gz WLYPIFSEFYANMU-ROUUACIJSA-N 1 0 369.509 2.550 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1C ZINC001507198318 1059607079 /nfs/dbraw/zinc/60/70/79/1059607079.db2.gz SUQMWQPCJREOAA-RCCFBDPRSA-N 1 0 362.514 2.643 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C)cc1C ZINC001507947574 1059763046 /nfs/dbraw/zinc/76/30/46/1059763046.db2.gz BBVYEAXERCGYOS-CDXJDZJCSA-N 1 0 360.498 2.661 20 10 FFCDRO COc1ccc(C[NH2+]CCCc2ccc3c(c2)OCCO3)c(O)c1OC ZINC001355273199 1060063336 /nfs/dbraw/zinc/06/33/36/1060063336.db2.gz AOLWFTQPBMQQOA-UHFFFAOYSA-N 1 0 359.422 2.903 20 10 FFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccn1 ZINC000848519988 1060210340 /nfs/dbraw/zinc/21/03/40/1060210340.db2.gz GUOHPMCZSXXHPZ-QAPCUYQASA-N 1 0 368.481 2.643 20 10 FFCDRO Cc1nnc2c(N[C@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)nccn12 ZINC001458172854 1060531717 /nfs/dbraw/zinc/53/17/17/1060531717.db2.gz YJUWDBVXGSIXMZ-HNNXBMFYSA-N 1 0 372.860 2.868 20 10 FFCDRO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1O ZINC001462646651 1061706507 /nfs/dbraw/zinc/70/65/07/1061706507.db2.gz WIRZJRKVTDRSKQ-UHFFFAOYSA-N 1 0 369.458 2.590 20 10 FFCDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001477634963 1061760162 /nfs/dbraw/zinc/76/01/62/1061760162.db2.gz NBDADPAJQVYZMN-IBGZPJMESA-N 1 0 358.530 2.941 20 10 FFCDRO CO[C@@]1(C)CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001479532497 1062502241 /nfs/dbraw/zinc/50/22/41/1062502241.db2.gz DAQSTRIQRQSSRI-QUCCMNQESA-N 1 0 362.518 2.566 20 10 FFCDRO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001498675534 1063847464 /nfs/dbraw/zinc/84/74/64/1063847464.db2.gz QGCMZFKDQAOBHJ-MRXNPFEDSA-N 1 0 357.502 2.914 20 10 FFCDRO CON(Cc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471191025 1064597599 /nfs/dbraw/zinc/59/75/99/1064597599.db2.gz LRIZHTXAUWNWJQ-UHFFFAOYSA-N 1 0 368.481 2.712 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001474731423 1065593025 /nfs/dbraw/zinc/59/30/25/1065593025.db2.gz IRYHDAYEXFJIRY-SFHVURJKSA-N 1 0 372.412 2.522 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[NH2+]C34CCC4)ccc21 ZINC001579067389 1078568303 /nfs/dbraw/zinc/56/83/03/1078568303.db2.gz GAEKDFRQDWFRJS-IBGZPJMESA-N 1 0 355.482 2.919 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(CC(C)C)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579617375 1078650728 /nfs/dbraw/zinc/65/07/28/1078650728.db2.gz PACDAXNZBCAUQO-GOSISDBHSA-N 1 0 370.545 2.827 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)cc1 ZINC001584361488 1079344798 /nfs/dbraw/zinc/34/47/98/1079344798.db2.gz WSDWFTNAMOIRPA-HXUWFJFHSA-N 1 0 359.514 2.901 20 10 FFCDRO Cc1cc(C(=O)N2CC([NH2+]C3CCOCC3)C2)c(C)n1-c1ccc(F)cc1 ZINC001558367552 1075991165 /nfs/dbraw/zinc/99/11/65/1075991165.db2.gz REQGOXCVHQUEDQ-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001560075020 1076222375 /nfs/dbraw/zinc/22/23/75/1076222375.db2.gz OPIBXXCUPPTGEL-GFCCVEGCSA-N 1 0 357.366 2.949 20 10 FFCDRO CC(C)C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N(C)C ZINC001560258961 1076257230 /nfs/dbraw/zinc/25/72/30/1076257230.db2.gz PPUHAGXUMFNDPJ-SFHVURJKSA-N 1 0 350.526 2.643 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1O ZINC001560720829 1076294225 /nfs/dbraw/zinc/29/42/25/1076294225.db2.gz LCIVDFPIFXZIGL-HDICACEKSA-N 1 0 373.541 2.577 20 10 FFCDRO COCCC[N@H+](Cc1cc(C(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC001560726633 1076294546 /nfs/dbraw/zinc/29/45/46/1076294546.db2.gz YNZATZBEOOICSP-KRWDZBQOSA-N 1 0 355.500 2.541 20 10 FFCDRO Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)cn1 ZINC001562518695 1076501177 /nfs/dbraw/zinc/50/11/77/1076501177.db2.gz WYHIDAKRHFHRCB-LJQANCHMSA-N 1 0 355.486 2.611 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCCSC2)[NH+](C)C)cc1 ZINC001564855333 1076664755 /nfs/dbraw/zinc/66/47/55/1076664755.db2.gz MSGYSLKLPPIKTE-QAPCUYQASA-N 1 0 364.559 2.798 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)nn2C)[NH+](C)C)cc1 ZINC001586054898 1079536265 /nfs/dbraw/zinc/53/62/65/1079536265.db2.gz QKZFFODIFIMIHZ-SFHVURJKSA-N 1 0 371.529 2.816 20 10 FFCDRO C[C@](O)(CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000371116899 512226608 /nfs/dbraw/zinc/22/66/08/512226608.db2.gz HJGPXRGUMKEGCW-LPHOPBHVSA-N 1 0 366.889 2.677 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1O ZINC000073897551 507965010 /nfs/dbraw/zinc/96/50/10/507965010.db2.gz VEVHLQDXYYQXGV-KRWDZBQOSA-N 1 0 357.454 2.811 20 10 FFCDRO CCOC(=O)C1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093595972 508150063 /nfs/dbraw/zinc/15/00/63/508150063.db2.gz SPVOCOVACOOLBY-UHFFFAOYSA-N 1 0 355.434 2.949 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000076836029 508257164 /nfs/dbraw/zinc/25/71/64/508257164.db2.gz VQPQYMBCWJWQGJ-MNDMWVCDSA-N 1 0 359.426 2.846 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1F ZINC000377690062 512399662 /nfs/dbraw/zinc/39/96/62/512399662.db2.gz CQIZSXPGXUREJU-UHFFFAOYSA-N 1 0 363.462 2.594 20 10 FFCDRO Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000377691167 512400627 /nfs/dbraw/zinc/40/06/27/512400627.db2.gz HJTSXNKFCNMWJC-LLVKDONJSA-N 1 0 363.259 2.737 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000128940644 508661604 /nfs/dbraw/zinc/66/16/04/508661604.db2.gz IOCSODPIUWVCAE-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000119071250 508719176 /nfs/dbraw/zinc/71/91/76/508719176.db2.gz CZEJYIDDUIMMJL-GOSISDBHSA-N 1 0 367.493 2.832 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000125795679 509030182 /nfs/dbraw/zinc/03/01/82/509030182.db2.gz UQHXGYBFOOYRKE-UHFFFAOYSA-N 1 0 369.465 2.831 20 10 FFCDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000161295293 509098124 /nfs/dbraw/zinc/09/81/24/509098124.db2.gz OUUITSBMTSRVSW-IIBYNOLFSA-N 1 0 356.466 2.916 20 10 FFCDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182533631 509290673 /nfs/dbraw/zinc/29/06/73/509290673.db2.gz JEJWULBJLQLFAT-HNNXBMFYSA-N 1 0 368.481 2.678 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1OC ZINC000179438845 509444039 /nfs/dbraw/zinc/44/40/39/509444039.db2.gz ICDBFADWIKFZAS-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO CN1CCC([N@H+](CCO)Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182931649 509503139 /nfs/dbraw/zinc/50/31/39/509503139.db2.gz YKNYAVOFDQSHKE-UHFFFAOYSA-N 1 0 370.493 2.860 20 10 FFCDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000236872566 509521387 /nfs/dbraw/zinc/52/13/87/509521387.db2.gz MABXRNSLBYFAEN-UHFFFAOYSA-N 1 0 355.482 2.848 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1OC ZINC000179623693 509540301 /nfs/dbraw/zinc/54/03/01/509540301.db2.gz HHRHQMWFBLHKQB-CQSZACIVSA-N 1 0 368.437 2.832 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000179674635 509567555 /nfs/dbraw/zinc/56/75/55/509567555.db2.gz SIVZXLZZIPWLBZ-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC000179753237 509606865 /nfs/dbraw/zinc/60/68/65/509606865.db2.gz IIROMJQGLFBMEG-UHFFFAOYSA-N 1 0 365.275 2.971 20 10 FFCDRO COc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1O ZINC000173568521 509654646 /nfs/dbraw/zinc/65/46/46/509654646.db2.gz UPPBIISUJVZEQP-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000186376857 509678050 /nfs/dbraw/zinc/67/80/50/509678050.db2.gz QECOAPMRRBOTLL-CQSZACIVSA-N 1 0 370.515 2.502 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1csc(CC[NH3+])n1 ZINC000173676686 509714136 /nfs/dbraw/zinc/71/41/36/509714136.db2.gz JYRGENFRMIDTBB-UHFFFAOYSA-N 1 0 358.511 2.907 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000180065263 509733308 /nfs/dbraw/zinc/73/33/08/509733308.db2.gz WGSPGPFDWJPXQH-INIZCTEOSA-N 1 0 356.422 2.647 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COC1CCOCC1 ZINC000268070701 509744823 /nfs/dbraw/zinc/74/48/23/509744823.db2.gz ZDLOFVLLMAIOQB-IBGZPJMESA-N 1 0 350.503 2.520 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177339211 510002496 /nfs/dbraw/zinc/00/24/96/510002496.db2.gz ZPQPSIVMZZCDHF-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1F ZINC000187188505 510111191 /nfs/dbraw/zinc/11/11/91/510111191.db2.gz YRHQGYDPZTVKEL-CQSZACIVSA-N 1 0 356.507 2.975 20 10 FFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000265796765 510233328 /nfs/dbraw/zinc/23/33/28/510233328.db2.gz YDFBVADAGSUPBE-LJQANCHMSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178097918 510431583 /nfs/dbraw/zinc/43/15/83/510431583.db2.gz MVILPXLQUYKYQO-KGLIPLIRSA-N 1 0 351.466 2.616 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000184702943 510473160 /nfs/dbraw/zinc/47/31/60/510473160.db2.gz BQZQMMCIZRUQNE-SJKOYZFVSA-N 1 0 365.861 2.733 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1O ZINC000188311813 510704111 /nfs/dbraw/zinc/70/41/11/510704111.db2.gz NYWNCSWLUJHUPG-UHFFFAOYSA-N 1 0 350.365 2.580 20 10 FFCDRO COCCN1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185145200 510710820 /nfs/dbraw/zinc/71/08/20/510710820.db2.gz QOBCTSPCIVKIFM-GFCCVEGCSA-N 1 0 357.292 2.916 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000191565140 510725018 /nfs/dbraw/zinc/72/50/18/510725018.db2.gz BOEXRCRVPHWDJQ-NSHDSACASA-N 1 0 350.440 2.927 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178855748 510805623 /nfs/dbraw/zinc/80/56/23/510805623.db2.gz AAGMUMKHZFJZIW-HXUWFJFHSA-N 1 0 371.437 2.597 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000275342797 510876622 /nfs/dbraw/zinc/87/66/22/510876622.db2.gz PCNPGMCYIHTJHJ-JTQLQIEISA-N 1 0 350.278 2.548 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364590324 510958442 /nfs/dbraw/zinc/95/84/42/510958442.db2.gz RJFGBOVEINXUPF-CJNGLKHVSA-N 1 0 353.260 2.503 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H]3CCSC3)CC2)cc(OC)c1OC ZINC000278603188 511000708 /nfs/dbraw/zinc/00/07/08/511000708.db2.gz IYUPRODQLHLFSK-AWEZNQCLSA-N 1 0 352.500 2.588 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278899761 511013132 /nfs/dbraw/zinc/01/31/32/511013132.db2.gz FOSIPLKSOCAYSR-HOTGVXAUSA-N 1 0 358.461 2.772 20 10 FFCDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000285833784 511015531 /nfs/dbraw/zinc/01/55/31/511015531.db2.gz XWDJHGNPZZTTTA-KRIYCRJKSA-N 1 0 372.557 2.877 20 10 FFCDRO COC(=O)COc1c(C)cc(C[NH2+]Cc2cccc(OC)c2O)cc1C ZINC000289558406 511103781 /nfs/dbraw/zinc/10/37/81/511103781.db2.gz YHVHNANEUSQBCF-UHFFFAOYSA-N 1 0 359.422 2.859 20 10 FFCDRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000290090907 511127141 /nfs/dbraw/zinc/12/71/41/511127141.db2.gz HBQJCZOUWDQCPI-FQEVSTJZSA-N 1 0 359.397 2.687 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000290207760 511130071 /nfs/dbraw/zinc/13/00/71/511130071.db2.gz VNTVJSAXLRQWQO-GFCCVEGCSA-N 1 0 364.433 2.686 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccncc3C)CC2)cc1 ZINC000294649127 511132760 /nfs/dbraw/zinc/13/27/60/511132760.db2.gz BSGSNEXUUPXTCE-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1)C1CCCCC1 ZINC000282870153 511141880 /nfs/dbraw/zinc/14/18/80/511141880.db2.gz ZJEXVUXEBAGKIO-FQEVSTJZSA-N 1 0 359.514 2.826 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)[nH]1 ZINC000271402156 511191939 /nfs/dbraw/zinc/19/19/39/511191939.db2.gz VYSCXBVWGQLJNT-NSHDSACASA-N 1 0 351.248 2.961 20 10 FFCDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000283005230 511196357 /nfs/dbraw/zinc/19/63/57/511196357.db2.gz OGVSWPAMFYRLHH-OAHLLOKOSA-N 1 0 355.394 2.517 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCC(O)CC2)cc1 ZINC000294955220 511234405 /nfs/dbraw/zinc/23/44/05/511234405.db2.gz WEYQWYYNQXXOIF-UHFFFAOYSA-N 1 0 359.539 2.931 20 10 FFCDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295024168 511255467 /nfs/dbraw/zinc/25/54/67/511255467.db2.gz HRJUJBKEIUHXGQ-KBPBESRZSA-N 1 0 350.434 2.964 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295024178 511255623 /nfs/dbraw/zinc/25/56/23/511255623.db2.gz HRJUJBKEIUHXGQ-ZIAGYGMSSA-N 1 0 350.434 2.964 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000279912333 511263746 /nfs/dbraw/zinc/26/37/46/511263746.db2.gz LSDRBEKUCWFDRS-QRFRQXIXSA-N 1 0 359.514 2.648 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000271844488 511344275 /nfs/dbraw/zinc/34/42/75/511344275.db2.gz QGJSLICUITYEBM-GFCCVEGCSA-N 1 0 350.440 2.623 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273484177 511529627 /nfs/dbraw/zinc/52/96/27/511529627.db2.gz VDIAIRLSFGVTGR-KSSFIOAISA-N 1 0 355.438 2.638 20 10 FFCDRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1)N1CCCC1 ZINC000296045377 511600414 /nfs/dbraw/zinc/60/04/14/511600414.db2.gz QUUXTWTXPKBYOP-GOSISDBHSA-N 1 0 372.490 2.954 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1ccccc1)cc2=O ZINC000299691647 511667398 /nfs/dbraw/zinc/66/73/98/511667398.db2.gz ZAYOYYOFXNNFJR-UHFFFAOYSA-N 1 0 354.410 2.637 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1 ZINC000296550411 511793485 /nfs/dbraw/zinc/79/34/85/511793485.db2.gz UJXQVMKSDHTRLN-UHFFFAOYSA-N 1 0 373.522 2.723 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4[nH]c(=O)oc43)c2)CC1 ZINC000274671407 511905211 /nfs/dbraw/zinc/90/52/11/511905211.db2.gz RDOYPJNSXUVPIF-UHFFFAOYSA-N 1 0 366.421 2.515 20 10 FFCDRO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000364034438 511918838 /nfs/dbraw/zinc/91/88/38/511918838.db2.gz NDCOGXHQIYWVON-KCQAQPDRSA-N 1 0 364.442 2.594 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000274877163 511972528 /nfs/dbraw/zinc/97/25/28/511972528.db2.gz GXIKPHLMMZFFLM-GDBMZVCRSA-N 1 0 358.276 2.983 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000297007169 511985183 /nfs/dbraw/zinc/98/51/83/511985183.db2.gz HFHWNCGSBHLDNK-KRWDZBQOSA-N 1 0 356.514 2.913 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000360017059 512062796 /nfs/dbraw/zinc/06/27/96/512062796.db2.gz CFJIULWAEFNOJD-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1O ZINC000371845506 512599870 /nfs/dbraw/zinc/59/98/70/512599870.db2.gz FEKRSRHBCMJSAN-YOEHRIQHSA-N 1 0 367.921 2.512 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1Cc1ccccn1 ZINC000372027331 512685171 /nfs/dbraw/zinc/68/51/71/512685171.db2.gz WPMUBAVIZCACFE-HXUWFJFHSA-N 1 0 365.477 2.947 20 10 FFCDRO O=C(c1cccc(O)c1O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368593581 513016058 /nfs/dbraw/zinc/01/60/58/513016058.db2.gz PCXLFXLPYQDGAV-SJORKVTESA-N 1 0 352.434 2.692 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cnn(C)c2)C1 ZINC000435875466 513705961 /nfs/dbraw/zinc/70/59/61/513705961.db2.gz CWZUSIWLXDCSCI-UHFFFAOYSA-N 1 0 365.481 2.804 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@H](C)C2)C1 ZINC000435908102 513712914 /nfs/dbraw/zinc/71/29/14/513712914.db2.gz NBKIZWVDLFUDFF-QGZVFWFLSA-N 1 0 369.509 2.903 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSCC2)C1 ZINC000444035973 514105505 /nfs/dbraw/zinc/10/55/05/514105505.db2.gz KSEFZVFRLMZUFX-UHFFFAOYSA-N 1 0 357.523 2.983 20 10 FFCDRO COC[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000498830682 515080478 /nfs/dbraw/zinc/08/04/78/515080478.db2.gz QFQKXLFUKBSNQT-MRXNPFEDSA-N 1 0 355.482 2.655 20 10 FFCDRO CCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)COC1 ZINC000456486442 515214437 /nfs/dbraw/zinc/21/44/37/515214437.db2.gz MOKXCTZHNKNPQY-UHFFFAOYSA-N 1 0 369.509 2.951 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529682524 517282374 /nfs/dbraw/zinc/28/23/74/517282374.db2.gz VSRFEDCGPJFJOD-UVARLRKDSA-N 1 0 358.301 2.949 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC000567175362 518389967 /nfs/dbraw/zinc/38/99/67/518389967.db2.gz CUHFSWSXNAOENH-FXAWDEMLSA-N 1 0 355.482 2.729 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)ccc21 ZINC000621700478 523027604 /nfs/dbraw/zinc/02/76/04/523027604.db2.gz PMJUGOHXOOKLLP-UWJYYQICSA-N 1 0 355.482 2.858 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1 ZINC000737363570 598837564 /nfs/dbraw/zinc/83/75/64/598837564.db2.gz BJPIZGPZVPMTLF-UHFFFAOYSA-N 1 0 355.467 2.904 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCO1 ZINC000823731942 606751689 /nfs/dbraw/zinc/75/16/89/606751689.db2.gz HNUWZJSMLJJEHY-QGZVFWFLSA-N 1 0 365.437 2.754 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c2c1 ZINC000161035181 728928373 /nfs/dbraw/zinc/92/83/73/728928373.db2.gz RJFUEAACKPZYFE-UHFFFAOYSA-N 1 0 351.468 2.809 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3cccs3)CC2)cc1 ZINC000161847894 728936195 /nfs/dbraw/zinc/93/61/95/728936195.db2.gz JDMURZXEFNYBKM-UHFFFAOYSA-N 1 0 359.495 2.745 20 10 FFCDRO Cn1cc([C@]2(C[NH2+]Cc3ccc(Br)cc3O)CCCO2)cn1 ZINC000898052540 735307506 /nfs/dbraw/zinc/30/75/06/735307506.db2.gz JEXOGRYCVRGPFL-MRXNPFEDSA-N 1 0 366.259 2.684 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)c1Cl ZINC000898371075 735349871 /nfs/dbraw/zinc/34/98/71/735349871.db2.gz DSSPZBPMQLUPNB-AWEZNQCLSA-N 1 0 360.845 2.529 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000899105703 735447722 /nfs/dbraw/zinc/44/77/22/735447722.db2.gz YTPHFVSWAWDKHF-IAGOWNOFSA-N 1 0 350.532 2.502 20 10 FFCDRO CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)ccc1O ZINC000036933203 727932278 /nfs/dbraw/zinc/93/22/78/727932278.db2.gz RIVDVTXRLKBLIJ-WFASDCNBSA-N 1 0 357.292 2.916 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000073915837 728228035 /nfs/dbraw/zinc/22/80/35/728228035.db2.gz BQVNLGGDYVOGBM-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000091343502 728459289 /nfs/dbraw/zinc/45/92/89/728459289.db2.gz WMJZAPSEFAFIOJ-NSHDSACASA-N 1 0 357.526 2.624 20 10 FFCDRO CCOC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000092532284 728468345 /nfs/dbraw/zinc/46/83/45/728468345.db2.gz TYEZAHLNBCOOCD-UHFFFAOYSA-N 1 0 350.434 2.580 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000129843802 728713520 /nfs/dbraw/zinc/71/35/20/728713520.db2.gz QIKJYNDELDYQSZ-YOEHRIQHSA-N 1 0 368.905 2.615 20 10 FFCDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130083794 728714995 /nfs/dbraw/zinc/71/49/95/728714995.db2.gz LWUCYRPADIGYAK-UONOGXRCSA-N 1 0 355.429 2.713 20 10 FFCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000180020537 729201051 /nfs/dbraw/zinc/20/10/51/729201051.db2.gz OSJPUHDXOUNKTE-INIZCTEOSA-N 1 0 367.559 2.853 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182307452 729274328 /nfs/dbraw/zinc/27/43/28/729274328.db2.gz ISKWOVRLACVJON-KRWDZBQOSA-N 1 0 352.500 2.527 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(F)ccc1O ZINC000184964917 729337910 /nfs/dbraw/zinc/33/79/10/729337910.db2.gz GYXPFNNFNYOBSQ-LBPRGKRZSA-N 1 0 352.431 2.632 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)s1 ZINC000186142005 729361164 /nfs/dbraw/zinc/36/11/64/729361164.db2.gz JSHXIVGRKUCWAX-LLVKDONJSA-N 1 0 358.460 2.530 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000779007094 738428928 /nfs/dbraw/zinc/42/89/28/738428928.db2.gz UVAPHDXDRZFHJY-MNOVXSKESA-N 1 0 362.289 2.548 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000924710225 738440681 /nfs/dbraw/zinc/44/06/81/738440681.db2.gz HXCPQQPVJCZERG-MRXNPFEDSA-N 1 0 367.559 2.683 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000382768194 729835334 /nfs/dbraw/zinc/83/53/34/729835334.db2.gz AKJKTASLWSEBAP-CQSZACIVSA-N 1 0 356.850 2.771 20 10 FFCDRO COc1ccc(N(C)CCN(C)CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856754316 730355115 /nfs/dbraw/zinc/35/51/15/730355115.db2.gz GHNVPCSTZRHOAN-UHFFFAOYSA-N 1 0 368.543 2.811 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1F ZINC000858107750 730416801 /nfs/dbraw/zinc/41/68/01/730416801.db2.gz XFPOPBXHZOBXRN-CQSZACIVSA-N 1 0 354.372 2.699 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858137955 730417584 /nfs/dbraw/zinc/41/75/84/730417584.db2.gz JGLFOEVPARRPJF-RYUDHWBXSA-N 1 0 355.276 2.891 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000858170185 730418579 /nfs/dbraw/zinc/41/85/79/730418579.db2.gz IUNCGEIGMPFLCH-ZDUSSCGKSA-N 1 0 354.219 2.987 20 10 FFCDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)n1cccn1 ZINC000858209559 730419782 /nfs/dbraw/zinc/41/97/82/730419782.db2.gz OFOLFNJLKHAZHR-MRXNPFEDSA-N 1 0 354.376 2.613 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)c1O ZINC000858434320 730425686 /nfs/dbraw/zinc/42/56/86/730425686.db2.gz FANOMCOGZBAIOS-GXFFZTMASA-N 1 0 354.248 2.581 20 10 FFCDRO CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434659 730425701 /nfs/dbraw/zinc/42/57/01/730425701.db2.gz MIMXYIRFNQSCJF-STQMWFEESA-N 1 0 354.248 2.663 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858498360 730427251 /nfs/dbraw/zinc/42/72/51/730427251.db2.gz NPCJHVHHDZHNLU-ZTFGCOKTSA-N 1 0 353.532 2.654 20 10 FFCDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2c(O)cccc2Br)CN1 ZINC000862253061 730682682 /nfs/dbraw/zinc/68/26/82/730682682.db2.gz KPYHHMLHQAEWJS-SMDDNHRTSA-N 1 0 353.260 2.645 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000862331830 730689021 /nfs/dbraw/zinc/68/90/21/730689021.db2.gz ATIWBBUTVOYVRG-SNVBAGLBSA-N 1 0 365.346 2.531 20 10 FFCDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(Br)cc2O)c[nH]1 ZINC000862527470 730706607 /nfs/dbraw/zinc/70/66/07/730706607.db2.gz OZKYOXNQHRJYMJ-CJNGLKHVSA-N 1 0 365.227 2.875 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1O ZINC000862527008 730706649 /nfs/dbraw/zinc/70/66/49/730706649.db2.gz IWBISKSXWFVMIJ-DYVFJYSZSA-N 1 0 350.802 2.775 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000862528887 730706695 /nfs/dbraw/zinc/70/66/95/730706695.db2.gz LKTFYDMDTKKYMW-BLLLJJGKSA-N 1 0 356.260 2.758 20 10 FFCDRO COCCc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000865632938 730979740 /nfs/dbraw/zinc/97/97/40/730979740.db2.gz VQOGVWZICZPZCQ-UHFFFAOYSA-N 1 0 361.511 2.583 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)on1 ZINC000865764482 730994887 /nfs/dbraw/zinc/99/48/87/730994887.db2.gz BPLTZFQREAFKQM-UHFFFAOYSA-N 1 0 355.188 2.609 20 10 FFCDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922158894 738099188 /nfs/dbraw/zinc/09/91/88/738099188.db2.gz LLVOVFNBXUYCDL-UHFFFAOYSA-N 1 0 360.479 2.552 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)c2csc(C3CC[NH2+]CC3)n2)cc1 ZINC000870856462 731566394 /nfs/dbraw/zinc/56/63/94/731566394.db2.gz ZIHAAMSZECGACX-UHFFFAOYSA-N 1 0 358.511 2.948 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)CC1 ZINC000871602360 731649077 /nfs/dbraw/zinc/64/90/77/731649077.db2.gz RDDIVOXJZKIFKM-LFIBNONCSA-N 1 0 370.503 2.925 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)COCC(F)(F)F)cc1Cn1cccn1 ZINC000873028241 731865877 /nfs/dbraw/zinc/86/58/77/731865877.db2.gz KANBARYHJCFQDL-CYBMUJFWSA-N 1 0 357.376 2.997 20 10 FFCDRO CCOCCOCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000927084981 738689528 /nfs/dbraw/zinc/68/95/28/738689528.db2.gz FKFIELZLIKAFLF-NSHDSACASA-N 1 0 362.264 2.867 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c1O ZINC000927147503 738696898 /nfs/dbraw/zinc/69/68/98/738696898.db2.gz SLKPCRIWQHBWIT-JQWIXIFHSA-N 1 0 365.275 2.800 20 10 FFCDRO [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229277 733498831 /nfs/dbraw/zinc/49/88/31/733498831.db2.gz MECIIMJSVPXUCK-CZUORRHYSA-N 1 0 353.413 2.500 20 10 FFCDRO Cc1cccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c1O ZINC000705684482 734360789 /nfs/dbraw/zinc/36/07/89/734360789.db2.gz ASLWFQINMHGETR-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726237585 734415313 /nfs/dbraw/zinc/41/53/13/734415313.db2.gz JTAXGAGZOOWWFB-GJZGRUSLSA-N 1 0 350.482 2.811 20 10 FFCDRO O=C(Nc1nncs1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731853241 734701261 /nfs/dbraw/zinc/70/12/61/734701261.db2.gz ZRTULKBBCQEDPD-LBPRGKRZSA-N 1 0 367.862 2.683 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=CC(=O)CS3)cc2F)CC1 ZINC000732289485 734730822 /nfs/dbraw/zinc/73/08/22/734730822.db2.gz SDHKDXKASGQYJY-UHFFFAOYSA-N 1 0 363.458 2.665 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000733331000 734809852 /nfs/dbraw/zinc/80/98/52/734809852.db2.gz WWCVBYPZIUPYQK-UHFFFAOYSA-N 1 0 350.509 2.581 20 10 FFCDRO CN1CC[C@H]([N@H+](C)Cc2c(O)ccc3cc(Br)ccc32)C1=O ZINC000738269907 735026456 /nfs/dbraw/zinc/02/64/56/735026456.db2.gz BWWNKUUUEREAPU-HNNXBMFYSA-N 1 0 363.255 2.970 20 10 FFCDRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000895635027 735034514 /nfs/dbraw/zinc/03/45/14/735034514.db2.gz PLWNLNOJASLSLV-LJQANCHMSA-N 1 0 363.841 2.986 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895677108 735039723 /nfs/dbraw/zinc/03/97/23/735039723.db2.gz HPCGACPDWNKUFQ-VIFPVBQESA-N 1 0 364.108 2.803 20 10 FFCDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(C)cc(OC)c3O)C2)s1 ZINC000896971170 735190084 /nfs/dbraw/zinc/19/00/84/735190084.db2.gz OIFOPJCAAUMPGS-LBPRGKRZSA-N 1 0 362.451 2.942 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)CCOCC1 ZINC000897737302 735271234 /nfs/dbraw/zinc/27/12/34/735271234.db2.gz OENSCZUVIULNKS-CQSZACIVSA-N 1 0 351.443 2.547 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748646408 735661008 /nfs/dbraw/zinc/66/10/08/735661008.db2.gz FRDRFRRAHSDUOQ-GOSISDBHSA-N 1 0 351.516 2.751 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000748647099 735661397 /nfs/dbraw/zinc/66/13/97/735661397.db2.gz MBWPBGWOZBZXKK-LJQANCHMSA-N 1 0 364.559 2.721 20 10 FFCDRO C[NH+](C)[C@@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCSC1 ZINC000748647538 735661405 /nfs/dbraw/zinc/66/14/05/735661405.db2.gz PBIXEXGSTRJLNB-LJQANCHMSA-N 1 0 363.527 2.508 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 ZINC000902671050 735979904 /nfs/dbraw/zinc/97/99/04/735979904.db2.gz HFFUVEDVEFRMFC-XMMPIXPASA-N 1 0 353.532 2.795 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825392 735996293 /nfs/dbraw/zinc/99/62/93/735996293.db2.gz MQMDEJIGVQMAGC-CHWSQXEVSA-N 1 0 351.401 2.736 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000903233823 736063220 /nfs/dbraw/zinc/06/32/20/736063220.db2.gz JHKKPJMTHJFELH-LBPRGKRZSA-N 1 0 352.431 2.680 20 10 FFCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753566701 736078560 /nfs/dbraw/zinc/07/85/60/736078560.db2.gz UBCJKZRVEYXWAE-QGZVFWFLSA-N 1 0 361.463 2.638 20 10 FFCDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000753850567 736100700 /nfs/dbraw/zinc/10/07/00/736100700.db2.gz NJVUHLQTXRXLIM-GOSISDBHSA-N 1 0 360.479 2.573 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756411887 736329138 /nfs/dbraw/zinc/32/91/38/736329138.db2.gz QYHBHKUTYYDXJB-DOMZBBRYSA-N 1 0 370.490 2.873 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(Br)cc1O ZINC000756732054 736356352 /nfs/dbraw/zinc/35/63/52/736356352.db2.gz LNMHXAWQGQHAPO-BQSGVUBFSA-N 1 0 353.260 2.815 20 10 FFCDRO COCCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756766811 736360191 /nfs/dbraw/zinc/36/01/91/736360191.db2.gz ZSXJCFFWXIOPQN-WFASDCNBSA-N 1 0 350.434 2.697 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000800289770 740508442 /nfs/dbraw/zinc/50/84/42/740508442.db2.gz UEGTVBYYNAZCAV-HNNXBMFYSA-N 1 0 352.228 2.987 20 10 FFCDRO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000800519562 740530887 /nfs/dbraw/zinc/53/08/87/740530887.db2.gz RTRPVQAPIJCYQO-TVFIUFHYSA-N 1 0 366.889 2.940 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000765979511 737179981 /nfs/dbraw/zinc/17/99/81/737179981.db2.gz KVVQRKDVIJCPJK-MOPGFXCFSA-N 1 0 362.539 2.980 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1OC ZINC000766032153 737184957 /nfs/dbraw/zinc/18/49/57/737184957.db2.gz PPRBCSKSATWCAM-CQSZACIVSA-N 1 0 351.443 2.963 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCSC1 ZINC000768545273 737431784 /nfs/dbraw/zinc/43/17/84/737431784.db2.gz WZHATLJYAPVSMD-GOSISDBHSA-N 1 0 359.539 2.588 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCSC1 ZINC000768545274 737431855 /nfs/dbraw/zinc/43/18/55/737431855.db2.gz WZHATLJYAPVSMD-SFHVURJKSA-N 1 0 359.539 2.588 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000918182626 737797261 /nfs/dbraw/zinc/79/72/61/737797261.db2.gz BWGMVXHVDYRKMH-ZDUSSCGKSA-N 1 0 350.415 2.610 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000773018104 737863983 /nfs/dbraw/zinc/86/39/83/737863983.db2.gz UXRBOTIHGLPQDZ-LPHOPBHVSA-N 1 0 366.527 2.609 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773132532 737874468 /nfs/dbraw/zinc/87/44/68/737874468.db2.gz ORACRVDUVZKEEV-XCRHUMRWSA-N 1 0 365.905 2.742 20 10 FFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774163507 737965272 /nfs/dbraw/zinc/96/52/72/737965272.db2.gz LTRJRKASXVHGRF-NWDGAFQWSA-N 1 0 374.312 2.937 20 10 FFCDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)[C@@H]1C(C)C ZINC000922396611 738138052 /nfs/dbraw/zinc/13/80/52/738138052.db2.gz YPYADLKFPDCNOK-ZAWLATJESA-N 1 0 354.441 2.630 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980912 742226690 /nfs/dbraw/zinc/22/66/90/742226690.db2.gz FPYQQJSZWJUXBR-ONGXEEELSA-N 1 0 363.683 2.837 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCCOC)cc1F ZINC000776812387 738235587 /nfs/dbraw/zinc/23/55/87/738235587.db2.gz ILFQPHJJRGSXOC-IEBWSBKVSA-N 1 0 354.466 2.582 20 10 FFCDRO COC[C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000777302999 738276859 /nfs/dbraw/zinc/27/68/59/738276859.db2.gz VNGIJCNGNMQOSU-WMLDXEAASA-N 1 0 351.491 2.943 20 10 FFCDRO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000786952374 739092629 /nfs/dbraw/zinc/09/26/29/739092629.db2.gz WKWRNDHBFUOPTF-AWEZNQCLSA-N 1 0 354.491 2.901 20 10 FFCDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792998930 739729520 /nfs/dbraw/zinc/72/95/20/739729520.db2.gz VGPGNESBANMPTQ-PVXIVEMSSA-N 1 0 355.404 2.870 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000793078172 739737719 /nfs/dbraw/zinc/73/77/19/739737719.db2.gz JGOKQBRWOVITMQ-UHFFFAOYSA-N 1 0 352.422 2.684 20 10 FFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000793281086 739761770 /nfs/dbraw/zinc/76/17/70/739761770.db2.gz MVPADYQJARYWEM-UHFFFAOYSA-N 1 0 361.463 2.638 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C)cc1O ZINC000794817096 739933469 /nfs/dbraw/zinc/93/34/69/739933469.db2.gz PDGVPQJXQNDSKV-DZGCQCFKSA-N 1 0 369.508 2.638 20 10 FFCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1cc(Br)ccc1O ZINC000795153776 739975992 /nfs/dbraw/zinc/97/59/92/739975992.db2.gz GQZHPZFZWDQTMY-UHFFFAOYSA-N 1 0 374.348 2.707 20 10 FFCDRO O=S(=O)(NCCC[NH2+]Cc1cc(F)ccc1O)c1ccccc1Cl ZINC000798958424 740377259 /nfs/dbraw/zinc/37/72/59/740377259.db2.gz YBYPWYRHCANMSK-UHFFFAOYSA-N 1 0 372.849 2.643 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c(O)c1 ZINC000799726301 740445493 /nfs/dbraw/zinc/44/54/93/740445493.db2.gz MXIIXZGJMVKVJU-LBPRGKRZSA-N 1 0 370.421 2.608 20 10 FFCDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000806633764 741077163 /nfs/dbraw/zinc/07/71/63/741077163.db2.gz CYGDNGSPJJJMNU-UHFFFAOYSA-N 1 0 350.482 2.909 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000807549461 741140380 /nfs/dbraw/zinc/14/03/80/741140380.db2.gz ZOBDBMKOJZOZRX-AWEZNQCLSA-N 1 0 370.291 2.828 20 10 FFCDRO C[N@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1O)CCC2 ZINC000808244002 741202586 /nfs/dbraw/zinc/20/25/86/741202586.db2.gz UGBQTCVWOZWIPP-UHFFFAOYSA-N 1 0 350.260 2.972 20 10 FFCDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809688633 741331604 /nfs/dbraw/zinc/33/16/04/741331604.db2.gz NLRAISQZHAEBER-IBGZPJMESA-N 1 0 365.543 2.533 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000809698320 741333322 /nfs/dbraw/zinc/33/33/22/741333322.db2.gz YFRIKIPFVQSAIV-NVXWUHKLSA-N 1 0 358.404 2.516 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000809721349 741336931 /nfs/dbraw/zinc/33/69/31/741336931.db2.gz QGKURDLUZXDJOI-WDEREUQCSA-N 1 0 364.471 2.568 20 10 FFCDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741145 741338757 /nfs/dbraw/zinc/33/87/57/741338757.db2.gz KRLXWYSDGJGREK-INIZCTEOSA-N 1 0 355.885 2.785 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000809950878 741365198 /nfs/dbraw/zinc/36/51/98/741365198.db2.gz QRZHPNLTMRXBHQ-LJQANCHMSA-N 1 0 352.475 2.880 20 10 FFCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000812292978 741605539 /nfs/dbraw/zinc/60/55/39/741605539.db2.gz OXMNCROCOBYBGT-UHFFFAOYSA-N 1 0 350.459 2.627 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)ccc1N(C)C ZINC000815119490 741903466 /nfs/dbraw/zinc/90/34/66/741903466.db2.gz ZROGZMBCARFYQE-OAHLLOKOSA-N 1 0 357.420 2.952 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc(F)c[nH]1 ZINC000815835136 741964389 /nfs/dbraw/zinc/96/43/89/741964389.db2.gz KVVJZLNTVKNRGT-CQSZACIVSA-N 1 0 351.809 2.907 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cnn(CC(F)F)c3)CC2)cc1 ZINC000816495407 742034498 /nfs/dbraw/zinc/03/44/98/742034498.db2.gz WEHVARHEXJQZGJ-UHFFFAOYSA-N 1 0 350.413 2.869 20 10 FFCDRO CN(C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1)S(C)(=O)=O ZINC000816607720 742046673 /nfs/dbraw/zinc/04/66/73/742046673.db2.gz CSORIDZJAHLDHM-OAHLLOKOSA-N 1 0 362.495 2.649 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000816822192 742064069 /nfs/dbraw/zinc/06/40/69/742064069.db2.gz CETNUGWLHXBTIW-LJQANCHMSA-N 1 0 361.555 2.929 20 10 FFCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000817955472 742224370 /nfs/dbraw/zinc/22/43/70/742224370.db2.gz BQNKUJQNLWYZRF-HNNXBMFYSA-N 1 0 359.495 2.702 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000817973308 742225275 /nfs/dbraw/zinc/22/52/75/742225275.db2.gz TVXLKRXVICOVON-ZIAGYGMSSA-N 1 0 365.827 2.922 20 10 FFCDRO COC[C@@]1(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CCC[NH2+]1 ZINC000817973646 742225384 /nfs/dbraw/zinc/22/53/84/742225384.db2.gz FTZBTMYQWZCGFX-KXBFYZLASA-N 1 0 367.921 2.596 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000818965650 742316609 /nfs/dbraw/zinc/31/66/09/742316609.db2.gz CRBZTOPJVVZTGT-HSMVNMDESA-N 1 0 364.383 2.842 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000823851671 742990257 /nfs/dbraw/zinc/99/02/57/742990257.db2.gz VMWKRPUVZSVCHJ-UHFFFAOYSA-N 1 0 350.509 2.581 20 10 FFCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825391592 743261733 /nfs/dbraw/zinc/26/17/33/743261733.db2.gz YNRUUWCXFQJBGN-NVXWUHKLSA-N 1 0 366.255 2.729 20 10 FFCDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826083526 743366077 /nfs/dbraw/zinc/36/60/77/743366077.db2.gz IYDQVNUIAJFBPG-CJNGLKHVSA-N 1 0 366.259 2.898 20 10 FFCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000826903336 743467344 /nfs/dbraw/zinc/46/73/44/743467344.db2.gz PJTMENVVURKSIF-GLQYFDAESA-N 1 0 358.276 2.810 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000828427002 745065473 /nfs/dbraw/zinc/06/54/73/745065473.db2.gz FRLULIUTIPIIHL-MRXNPFEDSA-N 1 0 356.495 2.626 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2occc2Br)cc1 ZINC000832266654 745668741 /nfs/dbraw/zinc/66/87/41/745668741.db2.gz HUWCZEIUXGFYEE-CYBMUJFWSA-N 1 0 352.232 2.538 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc2ccccc2c1O ZINC000834890777 745920497 /nfs/dbraw/zinc/92/04/97/745920497.db2.gz PRJNRPYNHQTYRJ-AWEZNQCLSA-N 1 0 363.479 2.790 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc2ccccc2c1O ZINC000834891110 745920671 /nfs/dbraw/zinc/92/06/71/745920671.db2.gz PRJNRPYNHQTYRJ-CQSZACIVSA-N 1 0 363.479 2.790 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000835042898 745938481 /nfs/dbraw/zinc/93/84/81/745938481.db2.gz LMHSAAUGLBIYEM-ARJAWSKDSA-N 1 0 356.491 2.885 20 10 FFCDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838920497 746737142 /nfs/dbraw/zinc/73/71/42/746737142.db2.gz BRUFEPSHBHHSBK-HNNXBMFYSA-N 1 0 366.303 2.808 20 10 FFCDRO Fc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1N1CCOCC1 ZINC000839146282 746788383 /nfs/dbraw/zinc/78/83/83/746788383.db2.gz BFAXQTOIVUOZCF-JKSUJKDBSA-N 1 0 351.441 2.518 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c(Cl)c1 ZINC000840876285 747209185 /nfs/dbraw/zinc/20/91/85/747209185.db2.gz URQWJZYKBJSSBH-UHFFFAOYSA-N 1 0 368.886 2.894 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000840888145 747213030 /nfs/dbraw/zinc/21/30/30/747213030.db2.gz AIRZOBUPVGPIFN-JTQLQIEISA-N 1 0 350.278 2.630 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840912006 747222359 /nfs/dbraw/zinc/22/23/59/747222359.db2.gz WWYCUFFHHXEBLK-UHFFFAOYSA-N 1 0 354.878 2.719 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840943229 747236825 /nfs/dbraw/zinc/23/68/25/747236825.db2.gz XCQOALFOMMNWOB-UHFFFAOYSA-N 1 0 372.918 2.744 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CN2CCOCC2)c(C(F)(F)F)c1 ZINC000840964586 747244885 /nfs/dbraw/zinc/24/48/85/747244885.db2.gz YIIPTXIHEINPKF-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO Brc1cc(C[NH2+]C[C@@H]2CNCCO2)ccc1N1CCCCC1 ZINC000841101330 747269529 /nfs/dbraw/zinc/26/95/29/747269529.db2.gz TYHMESBRMQQJSV-HNNXBMFYSA-N 1 0 368.319 2.517 20 10 FFCDRO Cc1nccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC000841495369 747369318 /nfs/dbraw/zinc/36/93/18/747369318.db2.gz GTYLQYWZGDSNQZ-MDWZMJQESA-N 1 0 350.513 2.574 20 10 FFCDRO CCCc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842786261 747687898 /nfs/dbraw/zinc/68/78/98/747687898.db2.gz OVGYPJYRKXQHSG-LJQANCHMSA-N 1 0 361.511 2.683 20 10 FFCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843345200 747814201 /nfs/dbraw/zinc/81/42/01/747814201.db2.gz ZNMBSBXQIAMUGA-LLVKDONJSA-N 1 0 365.275 2.671 20 10 FFCDRO CCn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000843832958 747906923 /nfs/dbraw/zinc/90/69/23/747906923.db2.gz ZDBKKYQOOVBXES-OAHLLOKOSA-N 1 0 362.861 2.656 20 10 FFCDRO COc1ccc(N(C)CCN(C)Cc2cnc(C3OCCO3)s2)cc1 ZINC000844402929 748022462 /nfs/dbraw/zinc/02/24/62/748022462.db2.gz XBOVRVUGTRFXPD-UHFFFAOYSA-N 1 0 363.483 2.765 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844928866 748138549 /nfs/dbraw/zinc/13/85/49/748138549.db2.gz ZVNQAOFOFOXQMR-MRXNPFEDSA-N 1 0 350.507 2.503 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846184358 748425798 /nfs/dbraw/zinc/42/57/98/748425798.db2.gz KZYNATFFIDUKDR-ZBFHGGJFSA-N 1 0 369.506 2.501 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000846473635 748487643 /nfs/dbraw/zinc/48/76/43/748487643.db2.gz VECYPCLIQVJVFX-HNNXBMFYSA-N 1 0 359.857 2.969 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000848525114 748949021 /nfs/dbraw/zinc/94/90/21/748949021.db2.gz KIXJUDDRJMAASX-ZWNOBZJWSA-N 1 0 374.275 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1O ZINC000848536880 748953757 /nfs/dbraw/zinc/95/37/57/748953757.db2.gz XVXMAMRFCRUVLH-ARNPGYACSA-N 1 0 364.305 2.971 20 10 FFCDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000848559197 748960676 /nfs/dbraw/zinc/96/06/76/748960676.db2.gz BZENLWLQFNCXBY-QGZVFWFLSA-N 1 0 371.319 2.926 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2Cl)C1 ZINC000848986851 749040991 /nfs/dbraw/zinc/04/09/91/749040991.db2.gz HPCBDMXDBXZUBP-CQSZACIVSA-N 1 0 350.894 2.933 20 10 FFCDRO COc1cc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850171176 749316478 /nfs/dbraw/zinc/31/64/78/749316478.db2.gz IAMQCXAOJSNZOQ-UHFFFAOYSA-N 1 0 355.500 2.613 20 10 FFCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850354100 749350415 /nfs/dbraw/zinc/35/04/15/749350415.db2.gz VOBLKBMLPQBIAE-NILFDRSVSA-N 1 0 358.276 2.810 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850354097 749350557 /nfs/dbraw/zinc/35/05/57/749350557.db2.gz VOBLKBMLPQBIAE-DFBGVHRSSA-N 1 0 358.276 2.810 20 10 FFCDRO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000850426585 749363534 /nfs/dbraw/zinc/36/35/34/749363534.db2.gz WROPITCNFFWEOM-GDBMZVCRSA-N 1 0 353.507 2.569 20 10 FFCDRO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850426589 749363606 /nfs/dbraw/zinc/36/36/06/749363606.db2.gz WROPITCNFFWEOM-HOCLYGCPSA-N 1 0 353.507 2.569 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C1 ZINC000850425909 749363631 /nfs/dbraw/zinc/36/36/31/749363631.db2.gz QSRBBHXFTCTHNF-OAHLLOKOSA-N 1 0 351.441 2.566 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccc1O ZINC000850495037 749374541 /nfs/dbraw/zinc/37/45/41/749374541.db2.gz VODUNPMRBQMRFF-LLVKDONJSA-N 1 0 364.243 2.630 20 10 FFCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000073744963 845572315 /nfs/dbraw/zinc/57/23/15/845572315.db2.gz WSUADZRZCYEMSQ-SFHVURJKSA-N 1 0 362.543 2.523 20 10 FFCDRO O=C1NCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)Oc2ccccc21 ZINC000896444580 971493900 /nfs/dbraw/zinc/49/39/00/971493900.db2.gz HJVVHCJHAPYKAT-UHFFFAOYSA-N 1 0 356.397 2.688 20 10 FFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275893309 1013149846 /nfs/dbraw/zinc/14/98/46/1013149846.db2.gz VETXUSVISRMABJ-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2O)N1CCn1ccnc1 ZINC001275895137 1013153789 /nfs/dbraw/zinc/15/37/89/1013153789.db2.gz DWDYHWYNYRWBCE-IAGOWNOFSA-N 1 0 374.872 2.508 20 10 FFCDRO CC(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275896587 1013157789 /nfs/dbraw/zinc/15/77/89/1013157789.db2.gz ZNMHVPJVJLYEAZ-SFHVURJKSA-N 1 0 352.862 2.505 20 10 FFCDRO COCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001275896310 1013157841 /nfs/dbraw/zinc/15/78/41/1013157841.db2.gz XJXCLVIOUKWKIW-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO CCNC(=O)OC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140103613 960472113 /nfs/dbraw/zinc/47/21/13/960472113.db2.gz RAKAZPPTUPNVLP-UHFFFAOYSA-N 1 0 357.248 2.865 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc[nH+]cc3C3CC3)cc2)C1 ZINC000872418418 1013215796 /nfs/dbraw/zinc/21/57/96/1013215796.db2.gz OOMSGCBEGHOYRC-QGZVFWFLSA-N 1 0 350.466 2.695 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C3CCC3)c2)[NH+](C)C)cc1 ZINC000891244222 962544593 /nfs/dbraw/zinc/54/45/93/962544593.db2.gz YESAETWSJYZJLC-LJQANCHMSA-N 1 0 355.486 2.707 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc([S@@](C)=O)c2)[NH+](C)C)cc1 ZINC000891246375 962567468 /nfs/dbraw/zinc/56/74/68/962567468.db2.gz BRZNPYMNMKGTGX-AFMDSPMNSA-N 1 0 373.522 2.523 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000891248937 962589192 /nfs/dbraw/zinc/58/91/92/962589192.db2.gz OXYYLVPERGXRDV-RTBURBONSA-N 1 0 352.482 2.597 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000891248746 962590055 /nfs/dbraw/zinc/59/00/55/962590055.db2.gz NQRJORLWLSNENP-FQEVSTJZSA-N 1 0 355.482 2.810 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C2CCOCC2)[NH+](C)C)cc1 ZINC000891248767 962590288 /nfs/dbraw/zinc/59/02/88/962590288.db2.gz NVBOFXBNSMUDJJ-LJQANCHMSA-N 1 0 361.530 2.924 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1C ZINC000873069583 1013372429 /nfs/dbraw/zinc/37/24/29/1013372429.db2.gz LYSPQUPVPQYXRA-JXFKEZNVSA-N 1 0 359.470 2.594 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2O)C1=O ZINC001276064983 1013393173 /nfs/dbraw/zinc/39/31/73/1013393173.db2.gz YRVBYRGIFSAWJK-LJQANCHMSA-N 1 0 350.434 2.523 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2ccon2)cc1C ZINC001087138445 963176234 /nfs/dbraw/zinc/17/62/34/963176234.db2.gz MUFHDWFBJDJKPW-BEFAXECRSA-N 1 0 371.481 2.951 20 10 FFCDRO CC(C)NC(=O)c1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437168 963270901 /nfs/dbraw/zinc/27/09/01/963270901.db2.gz NVDPHXQRKHHMKB-UHFFFAOYSA-N 1 0 367.497 2.584 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000588407775 963721740 /nfs/dbraw/zinc/72/17/40/963721740.db2.gz QPLCWTOYLNHVLU-QVFMIUSGSA-N 1 0 352.434 2.890 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891580214 964516395 /nfs/dbraw/zinc/51/63/95/964516395.db2.gz CEUKWYNNUGHDFR-AWEZNQCLSA-N 1 0 366.458 2.851 20 10 FFCDRO COc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(O)c1OC ZINC000891649716 964723879 /nfs/dbraw/zinc/72/38/79/964723879.db2.gz WHSAUBVPIUTLSB-UHFFFAOYSA-N 1 0 356.422 2.673 20 10 FFCDRO Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)n1 ZINC000092068961 965314171 /nfs/dbraw/zinc/31/41/71/965314171.db2.gz ZIRVVWYGWTXYLY-UHFFFAOYSA-N 1 0 368.403 2.908 20 10 FFCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000894811919 965711830 /nfs/dbraw/zinc/71/18/30/965711830.db2.gz VTBHPJYMUDNCDG-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c1OC ZINC000892005747 965789313 /nfs/dbraw/zinc/78/93/13/965789313.db2.gz XJCVKPVIJSRZJG-AWEZNQCLSA-N 1 0 364.486 2.784 20 10 FFCDRO CC(C)Nc1ncccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001176083470 1013619088 /nfs/dbraw/zinc/61/90/88/1013619088.db2.gz LCKVUENYQDACHZ-UHFFFAOYSA-N 1 0 367.497 2.584 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729500993 967397185 /nfs/dbraw/zinc/39/71/85/967397185.db2.gz DSVDYZWEFIESPN-VQTJNVASSA-N 1 0 374.529 2.537 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065698296 968246561 /nfs/dbraw/zinc/24/65/61/968246561.db2.gz JWKVDHISSVLWJP-QGZVFWFLSA-N 1 0 362.518 2.615 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000895217034 968487382 /nfs/dbraw/zinc/48/73/82/968487382.db2.gz YXCKCXIQNVRVLC-FHLIZLRMSA-N 1 0 370.501 2.557 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(O)c1OC ZINC000892472257 968929292 /nfs/dbraw/zinc/92/92/92/968929292.db2.gz UYQXPWABEVHQDF-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO COC(=O)/C=C/c1ccc(N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000162239708 969017129 /nfs/dbraw/zinc/01/71/29/969017129.db2.gz LVSSWSFEUITOMW-VQHVLOKHSA-N 1 0 373.409 2.942 20 10 FFCDRO O=C(c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1)N1CCCC1 ZINC000725848474 969297771 /nfs/dbraw/zinc/29/77/71/969297771.db2.gz SZOSJCSAYNHWKZ-UHFFFAOYSA-N 1 0 354.406 2.647 20 10 FFCDRO CCn1nccc1CN(CCO)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825743859 1013865248 /nfs/dbraw/zinc/86/52/48/1013865248.db2.gz AYRBBLCVVHBLQH-UHFFFAOYSA-N 1 0 361.486 2.909 20 10 FFCDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000892607438 969584835 /nfs/dbraw/zinc/58/48/35/969584835.db2.gz WVKVWGAIUOTONF-NQYYFHDYSA-N 1 0 373.497 2.613 20 10 FFCDRO CN1C(=O)C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1c1ccc(Cl)cc1 ZINC000125255452 1013951103 /nfs/dbraw/zinc/95/11/03/1013951103.db2.gz LNRZKPVQYQBVLS-IFXJQAMLSA-N 1 0 374.824 2.836 20 10 FFCDRO COc1ccc2c(c1)C[C@H](C[NH+]1CCN(c3ccc(OC)c(F)c3)CC1)O2 ZINC001168069584 974105020 /nfs/dbraw/zinc/10/50/20/974105020.db2.gz ZCFABVUOVDDBIU-GOSISDBHSA-N 1 0 372.440 2.969 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000162829707 975323223 /nfs/dbraw/zinc/32/32/23/975323223.db2.gz DXQBASAFBNMAHL-WIYYLYMNSA-N 1 0 361.530 2.612 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)N(C)C)cc1 ZINC000898449915 976460247 /nfs/dbraw/zinc/46/02/47/976460247.db2.gz LOXYRGBELGDEQR-LJQANCHMSA-N 1 0 368.481 2.590 20 10 FFCDRO CN(C)C(=O)c1cccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000898448736 976460768 /nfs/dbraw/zinc/46/07/68/976460768.db2.gz VRSNQRVSHNRWFT-OAQYLSRUSA-N 1 0 368.525 2.847 20 10 FFCDRO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001211729129 977516243 /nfs/dbraw/zinc/51/62/43/977516243.db2.gz RQBUQASNUCUXDZ-ZWKOTPCHSA-N 1 0 366.421 2.763 20 10 FFCDRO COc1ccc(C[N@H+](CCO)Cc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000894019367 977636503 /nfs/dbraw/zinc/63/65/03/977636503.db2.gz BCYOFVQGUHPYBK-UHFFFAOYSA-N 1 0 361.438 2.721 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(OCCO)c(OC)c2)c1O ZINC000894203885 978146992 /nfs/dbraw/zinc/14/69/92/978146992.db2.gz XGVNLCBODDACIP-AWEZNQCLSA-N 1 0 361.438 2.940 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000877146522 1014488733 /nfs/dbraw/zinc/48/87/33/1014488733.db2.gz UFXDGGSURSEUKJ-QUCCMNQESA-N 1 0 359.514 2.683 20 10 FFCDRO COC(=O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877315226 1014546675 /nfs/dbraw/zinc/54/66/75/1014546675.db2.gz DNFFEXAOBBFKBO-UHFFFAOYSA-N 1 0 360.498 2.861 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H](O)Cc1ccccc1 ZINC000877548758 1014623423 /nfs/dbraw/zinc/62/34/23/1014623423.db2.gz APDRBBWFWPJNLI-JOCHJYFZSA-N 1 0 354.494 2.683 20 10 FFCDRO C[C@@H](NC(=O)Nc1ccccc1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000904659756 980322452 /nfs/dbraw/zinc/32/24/52/980322452.db2.gz PLVMAOBRQUPDQH-OAHLLOKOSA-N 1 0 354.454 2.865 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000905457216 980447841 /nfs/dbraw/zinc/44/78/41/980447841.db2.gz UUJGAJGMJVOQNO-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO CONC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000877786785 1014728207 /nfs/dbraw/zinc/72/82/07/1014728207.db2.gz YQMVQTIEZRYSMM-UHFFFAOYSA-N 1 0 370.449 2.861 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 ZINC000877831713 1014747818 /nfs/dbraw/zinc/74/78/18/1014747818.db2.gz XOJKTGLRBBGCRT-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO CN1C(=O)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)C12CCCCC2 ZINC000877874827 1014753868 /nfs/dbraw/zinc/75/38/68/1014753868.db2.gz OVUQFIQVLSGRKH-UHFFFAOYSA-N 1 0 370.497 2.535 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000031726854 981845861 /nfs/dbraw/zinc/84/58/61/981845861.db2.gz AVROZYLAMOERSC-HXUWFJFHSA-N 1 0 354.498 2.725 20 10 FFCDRO Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)cc12 ZINC000237482194 981979562 /nfs/dbraw/zinc/97/95/62/981979562.db2.gz DVLPAYSUACAKKB-OAHLLOKOSA-N 1 0 365.481 2.964 20 10 FFCDRO O=C(NCCC[C@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842007304 982568815 /nfs/dbraw/zinc/56/88/15/982568815.db2.gz XYUKTTPJOBMRDK-MSOLQXFVSA-N 1 0 361.486 2.615 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000842016538 982577335 /nfs/dbraw/zinc/57/73/35/982577335.db2.gz XNUWFGRDUNUSQE-KZNAEPCWSA-N 1 0 356.514 2.815 20 10 FFCDRO COC(=O)c1c(C[NH2+]Cc2ccc(CCO)cc2)c2cc(F)ccc2n1C ZINC000898168588 982633303 /nfs/dbraw/zinc/63/33/03/982633303.db2.gz JXAFALRXFVOZFA-UHFFFAOYSA-N 1 0 370.424 2.929 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000151022601 984160102 /nfs/dbraw/zinc/16/01/02/984160102.db2.gz NMJUTEHZQRAPML-HNNXBMFYSA-N 1 0 371.456 2.873 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2(C)C)cc1C ZINC000996340240 984320107 /nfs/dbraw/zinc/32/01/07/984320107.db2.gz NBPBBVFXHSSNHI-JYBIWHBTSA-N 1 0 372.509 2.898 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(CN(C)CC[NH2+]C)c2)nc1C ZINC001204720706 984337792 /nfs/dbraw/zinc/33/77/92/984337792.db2.gz RXOJBOVEQDAEAX-UHFFFAOYSA-N 1 0 363.483 2.652 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000056782554 984459719 /nfs/dbraw/zinc/45/97/19/984459719.db2.gz RGGGHLOGWUJOHU-UHFFFAOYSA-N 1 0 362.518 2.649 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000764685660 984636746 /nfs/dbraw/zinc/63/67/46/984636746.db2.gz XOTNKKXUNXINHJ-UHFFFAOYSA-N 1 0 365.521 2.964 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cncc(F)c1 ZINC000765253733 985005895 /nfs/dbraw/zinc/00/58/95/985005895.db2.gz LUPWBMNZPSESLY-ZBFHGGJFSA-N 1 0 356.445 2.773 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000765622148 985245668 /nfs/dbraw/zinc/24/56/68/985245668.db2.gz GMPFBLCZBGSGRN-QKKBWIMNSA-N 1 0 366.465 2.658 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000765658998 985270930 /nfs/dbraw/zinc/27/09/30/985270930.db2.gz RWKOVIWWZAIVLT-UHFFFAOYSA-N 1 0 366.509 2.903 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3CCCCC3)CC2)cc1 ZINC000061743377 985315170 /nfs/dbraw/zinc/31/51/70/985315170.db2.gz LPMFAMZJFRXCAE-UHFFFAOYSA-N 1 0 374.529 2.839 20 10 FFCDRO O=c1[nH]c2cccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)c2o1 ZINC000921586236 985414682 /nfs/dbraw/zinc/41/46/82/985414682.db2.gz KDPJJAKQQPCNFL-UHFFFAOYSA-N 1 0 371.412 2.923 20 10 FFCDRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000152938654 987497708 /nfs/dbraw/zinc/49/77/08/987497708.db2.gz NRJTUYKAQSRFJB-NRFANRHFSA-N 1 0 357.498 2.753 20 10 FFCDRO COc1cccc(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)c1O ZINC000153087371 987634163 /nfs/dbraw/zinc/63/41/63/987634163.db2.gz RPCPLCAPJTZPFP-UHFFFAOYSA-N 1 0 364.486 2.544 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153291284 987849010 /nfs/dbraw/zinc/84/90/10/987849010.db2.gz ZMUWBNVAJXFVST-PKOBYXMFSA-N 1 0 372.465 2.962 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2F)C[C@@H](C)O1 ZINC000763023426 988977428 /nfs/dbraw/zinc/97/74/28/988977428.db2.gz BCBKIXWEDXXNBI-HUUCEWRRSA-N 1 0 363.477 2.540 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)c1 ZINC000186738089 989157653 /nfs/dbraw/zinc/15/76/53/989157653.db2.gz AARJYNGBVHBOAN-QGZVFWFLSA-N 1 0 356.422 2.673 20 10 FFCDRO CCOc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000796499010 1015504510 /nfs/dbraw/zinc/50/45/10/1015504510.db2.gz IXLPQRPBCWFWCP-UHFFFAOYSA-N 1 0 354.406 2.567 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)ncn1 ZINC000763380814 989847247 /nfs/dbraw/zinc/84/72/47/989847247.db2.gz DKBNTULOCAYAPA-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO C[C@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000920920121 990933160 /nfs/dbraw/zinc/93/31/60/990933160.db2.gz HUUZMCMSCCSCLV-SFHVURJKSA-N 1 0 374.529 2.759 20 10 FFCDRO C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CC[NH2+]CC1 ZINC000237673280 991300663 /nfs/dbraw/zinc/30/06/63/991300663.db2.gz BFSYAPFZWJZTDE-QGZVFWFLSA-N 1 0 373.541 2.537 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@@H](C)c1ccccc1)cc2=O ZINC000181533838 991796818 /nfs/dbraw/zinc/79/68/18/991796818.db2.gz OMMNYXGZSLQBQV-ZIAGYGMSSA-N 1 0 368.437 2.893 20 10 FFCDRO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000182467312 992061425 /nfs/dbraw/zinc/06/14/25/992061425.db2.gz HFURMBGMAZDBDQ-AWEZNQCLSA-N 1 0 358.438 2.767 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001272705248 992372069 /nfs/dbraw/zinc/37/20/69/992372069.db2.gz BYXWLRAJTDXHQJ-NRFANRHFSA-N 1 0 358.482 2.897 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809740291 994601264 /nfs/dbraw/zinc/60/12/64/994601264.db2.gz SNMQOSJVILXLNZ-CYBMUJFWSA-N 1 0 372.421 2.694 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(COC)OCCc3ccccc32)c1 ZINC000810158112 994719594 /nfs/dbraw/zinc/71/95/94/994719594.db2.gz HNGIGAYTJPEDAC-OAQYLSRUSA-N 1 0 357.450 2.995 20 10 FFCDRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000903433437 1015887216 /nfs/dbraw/zinc/88/72/16/1015887216.db2.gz WRWOJSYLZZFZQL-OAHLLOKOSA-N 1 0 374.460 2.819 20 10 FFCDRO CN(C)c1ccc([C@H](CN[C@@H](c2nc[nH]n2)c2ccccc2)[NH+](C)C)cc1 ZINC000903448002 1015897893 /nfs/dbraw/zinc/89/78/93/1015897893.db2.gz HKDWTQSCRRYRHQ-VQTJNVASSA-N 1 0 364.497 2.853 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC3(F)F)C[C@H]2C)cc1C ZINC001082584972 995019120 /nfs/dbraw/zinc/01/91/20/995019120.db2.gz YPNSMYCIHJHCOX-VNQPRFMTSA-N 1 0 352.425 2.985 20 10 FFCDRO COc1cc(C[NH+]2CCC(C(=O)N(C)OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000812292623 995406489 /nfs/dbraw/zinc/40/64/89/995406489.db2.gz KJVKGCLBWLRKHY-UHFFFAOYSA-N 1 0 364.486 2.930 20 10 FFCDRO CCc1oncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082774840 995471155 /nfs/dbraw/zinc/47/11/55/995471155.db2.gz ZQAKLENNONKPKT-RHSMWYFYSA-N 1 0 357.454 2.804 20 10 FFCDRO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)o1 ZINC001082820795 995573816 /nfs/dbraw/zinc/57/38/16/995573816.db2.gz OXPOSAGUBQURHJ-GDBMZVCRSA-N 1 0 358.438 2.856 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nc(C)oc3C)C[C@H]2C)cc1C ZINC001082821114 995575207 /nfs/dbraw/zinc/57/52/07/995575207.db2.gz QWZRNVGTIDTQGM-CXAGYDPISA-N 1 0 357.454 2.859 20 10 FFCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827260162 1016060177 /nfs/dbraw/zinc/06/01/77/1016060177.db2.gz OYXDWSDGYDIYLU-ZDUSSCGKSA-N 1 0 373.419 2.546 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3CCCC3)cc2F)CC1 ZINC000730110667 996866986 /nfs/dbraw/zinc/86/69/86/996866986.db2.gz QSRSAJMQGRJLMQ-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)C3CC3)cc2F)CC1 ZINC000730122219 996881266 /nfs/dbraw/zinc/88/12/66/996881266.db2.gz KIKICSGAINKXSO-HNNXBMFYSA-N 1 0 362.493 2.813 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1ccc(O)cc1 ZINC000824457696 996964447 /nfs/dbraw/zinc/96/44/47/996964447.db2.gz KKRWICJEAOKMNG-VQTJNVASSA-N 1 0 354.450 2.847 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3c(O)cccc3OC)CC2)c1 ZINC000824609020 997011849 /nfs/dbraw/zinc/01/18/49/997011849.db2.gz UWCSOAUSLKNWPJ-UHFFFAOYSA-N 1 0 359.426 2.611 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[N@@H+](C(C)C)CC3)C2)cc1 ZINC000824692446 997054909 /nfs/dbraw/zinc/05/49/09/997054909.db2.gz CSEKMUNBTNPSGG-GOSISDBHSA-N 1 0 374.529 2.647 20 10 FFCDRO Cc1cc(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccc1 ZINC000824732308 997076343 /nfs/dbraw/zinc/07/63/43/997076343.db2.gz BXYTUVHIMXCDGE-RTWAWAEBSA-N 1 0 367.493 2.616 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)ccc1OC ZINC000825046379 997193572 /nfs/dbraw/zinc/19/35/72/997193572.db2.gz SOYLSUOEFXTWSA-XLIONFOSSA-N 1 0 359.470 2.975 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccnc2N2CCCCC2)cc1 ZINC000844162938 997706769 /nfs/dbraw/zinc/70/67/69/997706769.db2.gz PKGDTIOUPBWSEM-LJQANCHMSA-N 1 0 367.497 2.568 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccc(C(=O)N(C)C)c2)cc1 ZINC000844398841 997857842 /nfs/dbraw/zinc/85/78/42/997857842.db2.gz DECXKYFBLIPBIS-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CC[NH+]3CCCCC3)CC2)cc1 ZINC000844944505 998266737 /nfs/dbraw/zinc/26/67/37/998266737.db2.gz JKDFMKHGGPELGL-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO CC(=O)Oc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1OC(C)=O ZINC001144287918 998288202 /nfs/dbraw/zinc/28/82/02/998288202.db2.gz WOJBPHCCWUELFH-UHFFFAOYSA-N 1 0 355.390 2.801 20 10 FFCDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000731842821 998293961 /nfs/dbraw/zinc/29/39/61/998293961.db2.gz HOWYJUWGCIOUSY-GJZGRUSLSA-N 1 0 370.449 2.861 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\C(C)(C)C)CC2)cc1 ZINC000731893205 998314085 /nfs/dbraw/zinc/31/40/85/998314085.db2.gz FONJJXARAISCAM-KHPPLWFESA-N 1 0 359.514 2.926 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500619 998608922 /nfs/dbraw/zinc/60/89/22/998608922.db2.gz WVHALFYIXBWEBB-GFCCVEGCSA-N 1 0 352.431 2.683 20 10 FFCDRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504180 998611870 /nfs/dbraw/zinc/61/18/70/998611870.db2.gz NHLLKFCNBCWOJE-UHFFFAOYSA-N 1 0 355.394 2.696 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cc(O)cc2O)N1c1ccccc1 ZINC001144509499 998622747 /nfs/dbraw/zinc/62/27/47/998622747.db2.gz CIQHZIXWGVHVMX-IAGOWNOFSA-N 1 0 354.406 2.573 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)c(O)c1 ZINC001144516070 998627377 /nfs/dbraw/zinc/62/73/77/998627377.db2.gz OIBOEDXLRNFLPQ-UHFFFAOYSA-N 1 0 367.405 2.790 20 10 FFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000732456403 998671163 /nfs/dbraw/zinc/67/11/63/998671163.db2.gz PWJYSECNTZEZEY-HKUYNNGSSA-N 1 0 374.529 2.756 20 10 FFCDRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc4c(c3)CCO4)c2cc1C ZINC000735925996 999516199 /nfs/dbraw/zinc/51/61/99/999516199.db2.gz CJDZUDMOEKLTRQ-SFHVURJKSA-N 1 0 351.450 2.739 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000738138029 999621015 /nfs/dbraw/zinc/62/10/15/999621015.db2.gz IRCPLBMMNMGILS-UHFFFAOYSA-N 1 0 371.433 2.917 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000744385141 999854829 /nfs/dbraw/zinc/85/48/29/999854829.db2.gz VAUBWDVUOYRCKT-IBGZPJMESA-N 1 0 369.513 2.894 20 10 FFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168986952 1000015874 /nfs/dbraw/zinc/01/58/74/1000015874.db2.gz GOBLRTGQYQFLSC-AFHBHXEDSA-N 1 0 371.437 2.874 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000768251220 1000200710 /nfs/dbraw/zinc/20/07/10/1000200710.db2.gz MJZKRORLMAKNBZ-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1O ZINC000846166323 1000214821 /nfs/dbraw/zinc/21/48/21/1000214821.db2.gz VIFQABBDYJZKIZ-RHSMWYFYSA-N 1 0 355.438 2.638 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cn2c(n1)CCCC2 ZINC000846261208 1000247361 /nfs/dbraw/zinc/24/73/61/1000247361.db2.gz OLPPPOPLIOIPLF-MRXNPFEDSA-N 1 0 354.498 2.884 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000768451059 1000252060 /nfs/dbraw/zinc/25/20/60/1000252060.db2.gz LPAAZKPWVYWDSN-UHFFFAOYSA-N 1 0 373.453 2.525 20 10 FFCDRO CC(=O)N1CCc2c1cccc2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000768945749 1000380764 /nfs/dbraw/zinc/38/07/64/1000380764.db2.gz INQHXJNZDFJHTR-UHFFFAOYSA-N 1 0 364.493 2.960 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000846662907 1000403068 /nfs/dbraw/zinc/40/30/68/1000403068.db2.gz BEJPXSILRCVJII-LJQANCHMSA-N 1 0 350.466 2.983 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCn2ccc3ccccc32)cc1 ZINC000846663434 1000407042 /nfs/dbraw/zinc/40/70/42/1000407042.db2.gz JAVBZDPVLCKJEZ-LJQANCHMSA-N 1 0 350.466 2.914 20 10 FFCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769524331 1000540603 /nfs/dbraw/zinc/54/06/03/1000540603.db2.gz LTJDYSXTWDEBQW-HNNXBMFYSA-N 1 0 360.458 2.673 20 10 FFCDRO CCOC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662662 1000572126 /nfs/dbraw/zinc/57/21/26/1000572126.db2.gz FPJRSTKVTTVEDU-OAHLLOKOSA-N 1 0 372.465 2.903 20 10 FFCDRO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CCN2C1=O ZINC000770293504 1000737674 /nfs/dbraw/zinc/73/76/74/1000737674.db2.gz XSLKTWLEQUPZJS-GOSISDBHSA-N 1 0 365.433 2.528 20 10 FFCDRO Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N3CC[NH+](C)CC3)cc1)N2 ZINC000771518743 1001135672 /nfs/dbraw/zinc/13/56/72/1001135672.db2.gz VRXZMCHRHARRNV-HXUWFJFHSA-N 1 0 350.466 2.943 20 10 FFCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772358032 1001361832 /nfs/dbraw/zinc/36/18/32/1001361832.db2.gz WTXSGLZGQUMYOB-WBVHZDCISA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000772443114 1001394865 /nfs/dbraw/zinc/39/48/65/1001394865.db2.gz IIZQASGIZVAKFG-AEFFLSMTSA-N 1 0 352.482 2.943 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(I)cc2O)CC[C@]1(C)O ZINC001232974441 1036204457 /nfs/dbraw/zinc/20/44/57/1036204457.db2.gz OCCOLMBLIKIAAB-YGRLFVJLSA-N 1 0 361.223 2.590 20 10 FFCDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001182451656 1001894761 /nfs/dbraw/zinc/89/47/61/1001894761.db2.gz GNDZWJSISHLNPO-ZIAGYGMSSA-N 1 0 359.436 2.658 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c1O ZINC001276247635 1016613378 /nfs/dbraw/zinc/61/33/78/1016613378.db2.gz GKGJVVZDBQMPPE-QZTJIDSGSA-N 1 0 358.482 2.654 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(OC)cc2O)[NH+](C)C)c1 ZINC000792788227 1003177812 /nfs/dbraw/zinc/17/78/12/1003177812.db2.gz AOQRRSNZWPYQOY-GOSISDBHSA-N 1 0 373.453 2.512 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000792833095 1003199156 /nfs/dbraw/zinc/19/91/56/1003199156.db2.gz VIHFEPACPBLSRO-OAHLLOKOSA-N 1 0 371.447 2.926 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC000793052494 1003265850 /nfs/dbraw/zinc/26/58/50/1003265850.db2.gz WWKRKBXVIAWHEF-DNVCBOLYSA-N 1 0 369.465 2.721 20 10 FFCDRO C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001186360776 1003288295 /nfs/dbraw/zinc/28/82/95/1003288295.db2.gz RKXUANQNVOTOKL-AWEZNQCLSA-N 1 0 371.403 2.576 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c(O)c1 ZINC000793389096 1003360433 /nfs/dbraw/zinc/36/04/33/1003360433.db2.gz VMVNSOUSEQHXQA-UHFFFAOYSA-N 1 0 370.449 2.692 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000102554348 1003883430 /nfs/dbraw/zinc/88/34/30/1003883430.db2.gz NSNZNMAZOZRICC-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO CC[N@H+](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC000102573343 1003905906 /nfs/dbraw/zinc/90/59/06/1003905906.db2.gz BIBCUTJFYJDDFL-GOSISDBHSA-N 1 0 363.502 2.813 20 10 FFCDRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCOC)c1ccccc1O ZINC000775540575 1004227085 /nfs/dbraw/zinc/22/70/85/1004227085.db2.gz NEQYCZSZZUNMDD-OALUTQOASA-N 1 0 356.466 2.807 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCOC3)C2)cc1C ZINC001086657356 1004729878 /nfs/dbraw/zinc/72/98/78/1004729878.db2.gz MYCSPBCMSNXIOZ-IPMKNSEASA-N 1 0 360.498 2.805 20 10 FFCDRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776236640 1005305210 /nfs/dbraw/zinc/30/52/10/1005305210.db2.gz AFXFMKQUFWYKKZ-MRXNPFEDSA-N 1 0 362.518 2.566 20 10 FFCDRO COC(=O)CC1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOCC1 ZINC000850178981 1005793050 /nfs/dbraw/zinc/79/30/50/1005793050.db2.gz PZDHWALOOHMWGD-UHFFFAOYSA-N 1 0 365.470 2.900 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000850344662 1005808997 /nfs/dbraw/zinc/80/89/97/1005808997.db2.gz RJVWNURYNLRSLO-APWZRJJASA-N 1 0 363.458 2.726 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(OC)c1 ZINC000850405527 1005813356 /nfs/dbraw/zinc/81/33/56/1005813356.db2.gz SCNPZRJUCJIHRU-UHFFFAOYSA-N 1 0 356.466 2.955 20 10 FFCDRO COc1cccc(OC)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405786 1005813597 /nfs/dbraw/zinc/81/35/97/1005813597.db2.gz DXCOXQOLKNMGAV-UHFFFAOYSA-N 1 0 356.466 2.955 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000850751428 1005836021 /nfs/dbraw/zinc/83/60/21/1005836021.db2.gz BMNQLDRIYLLFEE-MRXNPFEDSA-N 1 0 366.465 2.741 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1F ZINC000850759088 1005836931 /nfs/dbraw/zinc/83/69/31/1005836931.db2.gz LYSTYFWSWFQZJN-IBGZPJMESA-N 1 0 372.444 2.874 20 10 FFCDRO C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000851630778 1005901466 /nfs/dbraw/zinc/90/14/66/1005901466.db2.gz RLMRNYMGTFULQJ-IIBYNOLFSA-N 1 0 365.477 2.935 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000852138741 1005944917 /nfs/dbraw/zinc/94/49/17/1005944917.db2.gz SLZQWVMNKQVXQE-UHFFFAOYSA-N 1 0 368.525 2.984 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000852149815 1005945527 /nfs/dbraw/zinc/94/55/27/1005945527.db2.gz VVDNRIIHHMVYQB-VBZNHOPUSA-N 1 0 372.513 2.588 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000852149816 1005945813 /nfs/dbraw/zinc/94/58/13/1005945813.db2.gz VVDNRIIHHMVYQB-WELJNPPOSA-N 1 0 372.513 2.588 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000852452933 1006034854 /nfs/dbraw/zinc/03/48/54/1006034854.db2.gz FSAUELXTEUVLGF-MSOLQXFVSA-N 1 0 374.529 2.694 20 10 FFCDRO CC1(C)NC(=O)CC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000813860527 1006058571 /nfs/dbraw/zinc/05/85/71/1006058571.db2.gz KGGLRXACNDIIBN-MRXNPFEDSA-N 1 0 367.440 2.904 20 10 FFCDRO C[NH2+]C(C)(C)c1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881356822 1006060055 /nfs/dbraw/zinc/06/00/55/1006060055.db2.gz LEEWPIVXNSROOG-UHFFFAOYSA-N 1 0 370.432 2.557 20 10 FFCDRO Cc1cc(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)ccc1N1CCCCC1 ZINC000881379505 1006073649 /nfs/dbraw/zinc/07/36/49/1006073649.db2.gz SLYYBKOHCZKZKY-WOJBJXKFSA-N 1 0 355.486 2.804 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)C1CCC(F)CC1)cc2=O ZINC000852649728 1006124684 /nfs/dbraw/zinc/12/46/84/1006124684.db2.gz ATWPHSLKEKERBD-HIFPTAJRSA-N 1 0 364.421 2.618 20 10 FFCDRO CC1(C)CC[NH2+][C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852862513 1006211139 /nfs/dbraw/zinc/21/11/39/1006211139.db2.gz GYUDRPOGRLYRSL-MRXNPFEDSA-N 1 0 367.440 2.761 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000827071707 1017032022 /nfs/dbraw/zinc/03/20/22/1017032022.db2.gz CNWLUECVVWUEDS-MRXNPFEDSA-N 1 0 361.486 2.621 20 10 FFCDRO Cc1oc(C(C)C)nc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854180 1006244083 /nfs/dbraw/zinc/24/40/83/1006244083.db2.gz WFQBEMZMVMFXKU-UHFFFAOYSA-N 1 0 356.470 2.788 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000853085616 1006290958 /nfs/dbraw/zinc/29/09/58/1006290958.db2.gz SBKCBKBSKRPUKN-IBGZPJMESA-N 1 0 366.458 2.899 20 10 FFCDRO O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000853101091 1006296554 /nfs/dbraw/zinc/29/65/54/1006296554.db2.gz UCAYYDKCHCKRRQ-KSSFIOAISA-N 1 0 363.408 2.975 20 10 FFCDRO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)Cc1ccccc1O ZINC000111235110 1006362558 /nfs/dbraw/zinc/36/25/58/1006362558.db2.gz IPJDDIYPTHBMBO-QGZVFWFLSA-N 1 0 353.466 2.561 20 10 FFCDRO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000853411468 1006387558 /nfs/dbraw/zinc/38/75/58/1006387558.db2.gz HGRPBLACQBXUKX-FQEVSTJZSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CN4CCCC4=O)C3)c2c1 ZINC000853595811 1006467705 /nfs/dbraw/zinc/46/77/05/1006467705.db2.gz TXXJZRLDXBCUGJ-HNNXBMFYSA-N 1 0 354.450 2.998 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000853985027 1006615922 /nfs/dbraw/zinc/61/59/22/1006615922.db2.gz VSEYREFMRQDXGK-ZWKOTPCHSA-N 1 0 374.529 2.838 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000883534370 1006843318 /nfs/dbraw/zinc/84/33/18/1006843318.db2.gz KVCJNQHIMVAKAA-MRXNPFEDSA-N 1 0 366.456 2.816 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000112446475 1006933055 /nfs/dbraw/zinc/93/30/55/1006933055.db2.gz ASLWNGONNVMULU-KRWDZBQOSA-N 1 0 362.518 2.615 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000816541598 1007104742 /nfs/dbraw/zinc/10/47/42/1007104742.db2.gz QEIOQBGYHOLXKG-SFHVURJKSA-N 1 0 369.509 2.744 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775259252 1007130966 /nfs/dbraw/zinc/13/09/66/1007130966.db2.gz PSVPPBJWWFRCKP-KSZLIROESA-N 1 0 359.514 2.963 20 10 FFCDRO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775368794 1007511015 /nfs/dbraw/zinc/51/10/15/1007511015.db2.gz GCDHUARPAIMELE-GOEBONIOSA-N 1 0 361.438 2.638 20 10 FFCDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775375975 1007586293 /nfs/dbraw/zinc/58/62/93/1007586293.db2.gz QOOMXCSBDKGZEJ-CYBMUJFWSA-N 1 0 372.421 2.785 20 10 FFCDRO COc1cc(NC(=O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc(OC)c1 ZINC001206365469 1032255358 /nfs/dbraw/zinc/25/53/58/1032255358.db2.gz AWFXXUVRUVPTRC-UHFFFAOYSA-N 1 0 356.422 2.757 20 10 FFCDRO COc1ccc(Br)c(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206363595 1032255951 /nfs/dbraw/zinc/25/59/51/1032255951.db2.gz YIGWYVXIDMNZSU-OAHLLOKOSA-N 1 0 361.255 2.816 20 10 FFCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000818329763 1007903156 /nfs/dbraw/zinc/90/31/56/1007903156.db2.gz DKVMGSQEGUQAFX-JCAIJIATSA-N 1 0 364.461 2.871 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000114509719 1007936193 /nfs/dbraw/zinc/93/61/93/1007936193.db2.gz VWDRTDVSAAJZDZ-FQEVSTJZSA-N 1 0 362.420 2.799 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000818637671 1007958090 /nfs/dbraw/zinc/95/80/90/1007958090.db2.gz HTQHOGGIHCULEL-UHFFFAOYSA-N 1 0 369.465 2.927 20 10 FFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000818967873 1008010457 /nfs/dbraw/zinc/01/04/57/1008010457.db2.gz DMHNGVBJEJLSDB-PZJWPPBQSA-N 1 0 367.493 2.520 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nc(C)c[nH]3)C2)cc1C ZINC001086824427 1008038703 /nfs/dbraw/zinc/03/87/03/1008038703.db2.gz HTPDYRIKZHLLES-DLBZAZTESA-N 1 0 356.470 2.723 20 10 FFCDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819165213 1008054755 /nfs/dbraw/zinc/05/47/55/1008054755.db2.gz QIFWSFDNWLDTND-IYBDPMFKSA-N 1 0 373.497 2.913 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000819380371 1008128069 /nfs/dbraw/zinc/12/80/69/1008128069.db2.gz POLXNYXCFDZERD-FUHWJXTLSA-N 1 0 374.456 2.690 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000819380386 1008128254 /nfs/dbraw/zinc/12/82/54/1008128254.db2.gz PUZAMEDZCMBKST-XLIONFOSSA-N 1 0 358.457 2.854 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000819825327 1008237905 /nfs/dbraw/zinc/23/79/05/1008237905.db2.gz RRUGRYUCLLUIHG-UXHICEINSA-N 1 0 367.493 2.684 20 10 FFCDRO O=c1nc(Cl)cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000858464861 1008364677 /nfs/dbraw/zinc/36/46/77/1008364677.db2.gz RQUBCWZGJYQHHP-UHFFFAOYSA-N 1 0 373.888 2.980 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000858488948 1008368086 /nfs/dbraw/zinc/36/80/86/1008368086.db2.gz OBFZDBMBEBZGEO-WBVHZDCISA-N 1 0 365.485 2.510 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000858527632 1008375580 /nfs/dbraw/zinc/37/55/80/1008375580.db2.gz UCUXLFDRBHFSCY-UONOGXRCSA-N 1 0 366.458 2.687 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(N2CCOCC2)cc1 ZINC000858537045 1008378280 /nfs/dbraw/zinc/37/82/80/1008378280.db2.gz ASOIFBPFXDTUBR-OAHLLOKOSA-N 1 0 367.449 2.819 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(O)c1 ZINC000858564323 1008382430 /nfs/dbraw/zinc/38/24/30/1008382430.db2.gz KSQXBOOLEGPQHS-HKUYNNGSSA-N 1 0 355.482 2.956 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000859232692 1008491498 /nfs/dbraw/zinc/49/14/98/1008491498.db2.gz JJZCGXCUBBNJEZ-IBGZPJMESA-N 1 0 353.466 2.660 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1Cn1cccn1 ZINC000886236497 1008608017 /nfs/dbraw/zinc/60/80/17/1008608017.db2.gz JHKGNVIENMIUQM-HXUWFJFHSA-N 1 0 369.440 2.772 20 10 FFCDRO CCOc1cccc(C[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)c1O ZINC000822489947 1008621905 /nfs/dbraw/zinc/62/19/05/1008621905.db2.gz NHVKWVSZRREQPX-UHFFFAOYSA-N 1 0 360.410 2.536 20 10 FFCDRO COCc1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886325133 1008637937 /nfs/dbraw/zinc/63/79/37/1008637937.db2.gz VYHRPEHRJDFWEM-UHFFFAOYSA-N 1 0 367.493 2.825 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)c(O)c1OC ZINC001206545208 1032337421 /nfs/dbraw/zinc/33/74/21/1032337421.db2.gz UJZPYKAFKGGEDE-GOSISDBHSA-N 1 0 356.466 2.768 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000886751521 1008859443 /nfs/dbraw/zinc/85/94/43/1008859443.db2.gz SVPSCHTYIQGILW-IBGZPJMESA-N 1 0 365.477 2.871 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C12CCC2 ZINC000886749012 1008859823 /nfs/dbraw/zinc/85/98/23/1008859823.db2.gz GFNYHXCDAFADQG-VQTJNVASSA-N 1 0 371.525 2.826 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000823243757 1008990800 /nfs/dbraw/zinc/99/08/00/1008990800.db2.gz POXQFEQSQHLZAO-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000823244287 1008991812 /nfs/dbraw/zinc/99/18/12/1008991812.db2.gz VJCIDCGVMSKCDQ-QZTJIDSGSA-N 1 0 374.529 2.553 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000823575749 1009116406 /nfs/dbraw/zinc/11/64/06/1009116406.db2.gz ACTNIITXTCRFCE-OXQOHEQNSA-N 1 0 357.450 2.922 20 10 FFCDRO CC(C)(C)N(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001179683872 1009417974 /nfs/dbraw/zinc/41/79/74/1009417974.db2.gz CBDWXCLZBXITLZ-YERXGYGTSA-N 1 0 374.481 2.649 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1N1CCCCC1 ZINC000777219120 1009553522 /nfs/dbraw/zinc/55/35/22/1009553522.db2.gz CFMJGRCECQTTNW-INIZCTEOSA-N 1 0 356.430 2.624 20 10 FFCDRO Cc1c[nH+]ccc1N1CCN(C(=O)/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001180126213 1009571295 /nfs/dbraw/zinc/57/12/95/1009571295.db2.gz JHRCLVOJTADJNX-RMKNXTFCSA-N 1 0 350.466 2.818 20 10 FFCDRO Cc1ccc2n[nH]cc2c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180178809 1009572865 /nfs/dbraw/zinc/57/28/65/1009572865.db2.gz DPJOOECAOHKYGX-LJQANCHMSA-N 1 0 365.481 2.970 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000862237986 1009760795 /nfs/dbraw/zinc/76/07/95/1009760795.db2.gz ZPRAHQIXUPXPEQ-UHFFFAOYSA-N 1 0 367.484 2.965 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000862366993 1009809824 /nfs/dbraw/zinc/80/98/24/1009809824.db2.gz RDYBEEICQNTICQ-BBRMVZONSA-N 1 0 366.458 2.515 20 10 FFCDRO Cc1cc(O)c(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1C ZINC000862542938 1009874054 /nfs/dbraw/zinc/87/40/54/1009874054.db2.gz DSBLDROZIUYTFV-UHFFFAOYSA-N 1 0 356.422 2.851 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1O ZINC000862539603 1009874649 /nfs/dbraw/zinc/87/46/49/1009874649.db2.gz ZZEKWRHNJUQREA-HNKHHVNMSA-N 1 0 368.399 2.932 20 10 FFCDRO CC(C)OC1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889666117 1010046630 /nfs/dbraw/zinc/04/66/30/1010046630.db2.gz FKXIPCFRSCQGIJ-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO C[N@H+](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC1 ZINC000863863067 1010345613 /nfs/dbraw/zinc/34/56/13/1010345613.db2.gz GIHBJLUPRUCGEZ-UHFFFAOYSA-N 1 0 367.440 2.857 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2C)cc1C ZINC001093610697 1010372100 /nfs/dbraw/zinc/37/21/00/1010372100.db2.gz XJRMWKUHWMNTTM-SJLPKXTDSA-N 1 0 353.466 2.897 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C)ncn3)C[C@H]2C)cc1C ZINC001093721811 1010499748 /nfs/dbraw/zinc/49/97/48/1010499748.db2.gz HDLOVLGAZZXAOK-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000794703380 1010521593 /nfs/dbraw/zinc/52/15/93/1010521593.db2.gz MHJOSDOZFZYRPA-UHFFFAOYSA-N 1 0 358.438 2.732 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCC(CNC(C)=O)CC3)C2)cc1 ZINC000865608453 1010826647 /nfs/dbraw/zinc/82/66/47/1010826647.db2.gz JWQLWFWGSOKUSS-JLAWEPINSA-N 1 0 359.514 2.806 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCC1(O)CCN(c3ccccc3)CC1)OCO2 ZINC000865690353 1010843598 /nfs/dbraw/zinc/84/35/98/1010843598.db2.gz ZKVYSCFTPGFAKE-UHFFFAOYSA-N 1 0 370.449 2.632 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(F)c1N1CCOCC1 ZINC000866369845 1010984887 /nfs/dbraw/zinc/98/48/87/1010984887.db2.gz OXGKFWMICMADRC-JVPBZIDWSA-N 1 0 364.436 2.849 20 10 FFCDRO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(N2CCCCCC2)cc1 ZINC000866519639 1011008424 /nfs/dbraw/zinc/00/84/24/1011008424.db2.gz SXKUKLRZLAZJLY-UTKZUKDTSA-N 1 0 373.497 2.939 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(O)c1 ZINC000866522124 1011009512 /nfs/dbraw/zinc/00/95/12/1011009512.db2.gz RJWQVEUGQBJQOY-OAHLLOKOSA-N 1 0 367.449 2.912 20 10 FFCDRO CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000868762261 1011461379 /nfs/dbraw/zinc/46/13/79/1011461379.db2.gz MQDGVZYMEXGGQR-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@H](NC(=O)NCc1ccnc(N2CCSCC2)c1)c1ccccc1O ZINC000868952593 1011544918 /nfs/dbraw/zinc/54/49/18/1011544918.db2.gz JWGLLDFPIXAGEC-AWEZNQCLSA-N 1 0 372.494 2.901 20 10 FFCDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796295734 1011698224 /nfs/dbraw/zinc/69/82/24/1011698224.db2.gz VLVNOEOVZQUEPV-JOCHJYFZSA-N 1 0 364.537 2.585 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001275005910 1011805922 /nfs/dbraw/zinc/80/59/22/1011805922.db2.gz LEIUQLSVEDYOPG-LJQANCHMSA-N 1 0 353.510 2.734 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)COCC23C[NH+](CCC(C)(C)C)C3)cc1 ZINC001275126352 1011970967 /nfs/dbraw/zinc/97/09/67/1011970967.db2.gz DORLXPNAUNNKBT-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275248284 1012137410 /nfs/dbraw/zinc/13/74/10/1012137410.db2.gz MYIPXQDCSUYBMK-BLLLJJGKSA-N 1 0 364.873 2.741 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275253910 1012153169 /nfs/dbraw/zinc/15/31/69/1012153169.db2.gz ICONTOQUEQNSCX-MRXNPFEDSA-N 1 0 366.889 2.800 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001275279036 1012191267 /nfs/dbraw/zinc/19/12/67/1012191267.db2.gz GKYZKJKQBVGQHD-RNODOKPDSA-N 1 0 360.454 2.546 20 10 FFCDRO C[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070496 1012238922 /nfs/dbraw/zinc/23/89/22/1012238922.db2.gz XRPGNKRULMOVHG-GXTWGEPZSA-N 1 0 364.442 2.658 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC2CCOCC2)C3=O)c(O)c1 ZINC001275388070 1012412077 /nfs/dbraw/zinc/41/20/77/1012412077.db2.gz MRXUWIDVAGEDIU-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](c3ccccc3)C1)cc2=O ZINC000123423262 1012662283 /nfs/dbraw/zinc/66/22/83/1012662283.db2.gz CAVILHIRXLNDJW-OAHLLOKOSA-N 1 0 366.421 2.601 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001275596543 1012668066 /nfs/dbraw/zinc/66/80/66/1012668066.db2.gz ADXFVOUIJUMPSS-LAUBAEHRSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1ccc(N2CC[NH+](C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC001173668096 1012859547 /nfs/dbraw/zinc/85/95/47/1012859547.db2.gz QFCGISOXIXUJRE-UHFFFAOYSA-N 1 0 357.420 2.844 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001275771015 1012986685 /nfs/dbraw/zinc/98/66/85/1012986685.db2.gz JYOWXESOJAVMJG-IIBYNOLFSA-N 1 0 358.482 2.944 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCN(Cc4cnoc4)C3=O)C2)c1O ZINC001275771528 1012988594 /nfs/dbraw/zinc/98/85/94/1012988594.db2.gz PWMVKZUOOHSYQT-FQEVSTJZSA-N 1 0 355.438 2.622 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c1O ZINC001275771473 1012990105 /nfs/dbraw/zinc/99/01/05/1012990105.db2.gz OMVHJMNKEVXFIM-QGZVFWFLSA-N 1 0 356.388 2.996 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275772079 1012990995 /nfs/dbraw/zinc/99/09/95/1012990995.db2.gz XALUJVUKSBDTHH-CRAIPNDOSA-N 1 0 358.482 2.705 20 10 FFCDRO O=C(NCc1ccccc1O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000748460666 1017274891 /nfs/dbraw/zinc/27/48/91/1017274891.db2.gz PTXVGSVTLQDJDW-UHFFFAOYSA-N 1 0 357.429 2.995 20 10 FFCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000924661093 1017403582 /nfs/dbraw/zinc/40/35/82/1017403582.db2.gz QZSBAPZNMDRSCP-UHFFFAOYSA-N 1 0 354.454 2.731 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nnc(C(C)C)o3)CC2)cc1 ZINC000827323210 1017615197 /nfs/dbraw/zinc/61/51/97/1017615197.db2.gz HWHYWPJWXZCTJG-UHFFFAOYSA-N 1 0 359.474 2.826 20 10 FFCDRO [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000827320424 1017629243 /nfs/dbraw/zinc/62/92/43/1017629243.db2.gz IMIUDSJLBZAUAG-LJQANCHMSA-N 1 0 373.497 2.738 20 10 FFCDRO CC[C@@H](C)[NH2+][C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccco1 ZINC000925364409 1017720268 /nfs/dbraw/zinc/72/02/68/1017720268.db2.gz RUYVMXIJYNAEOQ-ZBFHGGJFSA-N 1 0 371.437 2.879 20 10 FFCDRO C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2ncnn21 ZINC000925677202 1017815045 /nfs/dbraw/zinc/81/50/45/1017815045.db2.gz ORXZDSWFDHHEAO-OXQOHEQNSA-N 1 0 366.513 2.606 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000925852998 1017873754 /nfs/dbraw/zinc/87/37/54/1017873754.db2.gz XNHGHNCZFOKNBR-NWDGAFQWSA-N 1 0 372.387 2.747 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1 ZINC000925899480 1017888815 /nfs/dbraw/zinc/88/88/15/1017888815.db2.gz GMEBIOBJABKXNX-FQEVSTJZSA-N 1 0 369.513 2.982 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000827527468 1018411251 /nfs/dbraw/zinc/41/12/51/1018411251.db2.gz WTMDODIYQVDWHF-UHFFFAOYSA-N 1 0 358.413 2.739 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(F)cn1 ZINC000827655639 1018597130 /nfs/dbraw/zinc/59/71/30/1018597130.db2.gz ZAIDTHZFBCWQRG-KRWDZBQOSA-N 1 0 358.461 2.837 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000827663173 1018604296 /nfs/dbraw/zinc/60/42/96/1018604296.db2.gz ZXVGIUXRIDHDHO-UHFFFAOYSA-N 1 0 372.465 2.660 20 10 FFCDRO C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000827725687 1018629108 /nfs/dbraw/zinc/62/91/08/1018629108.db2.gz LMXKAEHCZSHGSM-IERDGZPVSA-N 1 0 365.477 2.587 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000801598628 1019158814 /nfs/dbraw/zinc/15/88/14/1019158814.db2.gz DHBATQNBQRSZPJ-SFHVURJKSA-N 1 0 356.470 2.923 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000802075894 1019722385 /nfs/dbraw/zinc/72/23/85/1019722385.db2.gz PPJONMHJECEUMU-UHFFFAOYSA-N 1 0 363.502 2.815 20 10 FFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000800474276 1020342061 /nfs/dbraw/zinc/34/20/61/1020342061.db2.gz HVMYBGMCSOCGIM-GHTZIAJQSA-N 1 0 361.530 2.612 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccc(N2CCOCC2)cc1 ZINC000900386673 1020397078 /nfs/dbraw/zinc/39/70/78/1020397078.db2.gz BYMCLZPEANFKBO-VDGAXYAQSA-N 1 0 357.498 2.717 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000726608687 1020494229 /nfs/dbraw/zinc/49/42/29/1020494229.db2.gz NSBDFTGPHPULRR-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000726705332 1020510189 /nfs/dbraw/zinc/51/01/89/1020510189.db2.gz HZFFNSQOPPPDCP-PKOBYXMFSA-N 1 0 372.513 2.590 20 10 FFCDRO CC(=O)Nc1ccc(O[C@@H]2CCC[NH2+]C2)c2c1C(=O)c1ccccc1C2=O ZINC001217962998 1032923010 /nfs/dbraw/zinc/92/30/10/1032923010.db2.gz JSTSNLVNJNPLSY-CYBMUJFWSA-N 1 0 364.401 2.551 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217976757 1032929134 /nfs/dbraw/zinc/92/91/34/1032929134.db2.gz LKKJPVMHMCPZNZ-ZBFHGGJFSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc2ccccc2c1O ZINC000903398471 1020821474 /nfs/dbraw/zinc/82/14/74/1020821474.db2.gz SEMFLUZAPPYZMF-UKRRQHHQSA-N 1 0 350.422 2.971 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)COC3CCC([NH3+])CC3)cc2)CC1 ZINC000828988057 1032935591 /nfs/dbraw/zinc/93/55/91/1032935591.db2.gz KZBZAZYAVULHOQ-UHFFFAOYSA-N 1 0 359.514 2.826 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218029871 1032960422 /nfs/dbraw/zinc/96/04/22/1032960422.db2.gz OISIUTBJNQTPRO-ABAIWWIYSA-N 1 0 367.401 2.640 20 10 FFCDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116409869 1021203494 /nfs/dbraw/zinc/20/34/94/1021203494.db2.gz ICLOUYYIKIYAKQ-DNVCBOLYSA-N 1 0 361.461 2.772 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC001116417623 1021207709 /nfs/dbraw/zinc/20/77/09/1021207709.db2.gz LZAPRGGMHXDJHL-LJQANCHMSA-N 1 0 374.456 2.786 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC001116565353 1021287307 /nfs/dbraw/zinc/28/73/07/1021287307.db2.gz PWPHRPWJULUIRW-DOTOQJQBSA-N 1 0 359.514 2.781 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1O ZINC001117643480 1021791501 /nfs/dbraw/zinc/79/15/01/1021791501.db2.gz KZUPFMCFFPXIDV-LJQANCHMSA-N 1 0 370.493 2.942 20 10 FFCDRO CC(C)[C@@H](O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001118458874 1022243720 /nfs/dbraw/zinc/24/37/20/1022243720.db2.gz NQBJCDFIEYPLSJ-FQEVSTJZSA-N 1 0 358.482 2.968 20 10 FFCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001118737851 1022376668 /nfs/dbraw/zinc/37/66/68/1022376668.db2.gz OBOISSQRDJULHX-FQEVSTJZSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC2)cc1 ZINC000158358202 1022502268 /nfs/dbraw/zinc/50/22/68/1022502268.db2.gz QQZHJBMVIAELAQ-UHFFFAOYSA-N 1 0 362.518 2.646 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(F)nc3)CC2)cc1 ZINC000188972677 1023179201 /nfs/dbraw/zinc/17/92/01/1023179201.db2.gz FAVQVENZDLFGTA-UHFFFAOYSA-N 1 0 358.461 2.531 20 10 FFCDRO O=C(c1cccc2c1CCN2)N1C[C@@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001122330319 1023194685 /nfs/dbraw/zinc/19/46/85/1023194685.db2.gz GZOQDJNEAOULBN-CVEARBPZSA-N 1 0 363.461 2.777 20 10 FFCDRO COC(=O)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000779177478 1023295010 /nfs/dbraw/zinc/29/50/10/1023295010.db2.gz BNAPXOYVZVNZHL-HXUWFJFHSA-N 1 0 371.456 2.581 20 10 FFCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753565666 1023354052 /nfs/dbraw/zinc/35/40/52/1023354052.db2.gz HGWULIRHCWNZTI-LJQANCHMSA-N 1 0 356.466 2.782 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](C)[C@@H]3CC[NH3+])C2)cc1 ZINC001120634603 1023396402 /nfs/dbraw/zinc/39/64/02/1023396402.db2.gz TVHRKOKDQOJPAV-HLIPFELVSA-N 1 0 374.529 2.680 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000754009714 1023414554 /nfs/dbraw/zinc/41/45/54/1023414554.db2.gz KLTSMQXNFOBNOX-HKUYNNGSSA-N 1 0 363.546 2.545 20 10 FFCDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000754429394 1023468995 /nfs/dbraw/zinc/46/89/95/1023468995.db2.gz SXRVJXOBJJIBMF-IBGZPJMESA-N 1 0 371.529 2.802 20 10 FFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000755222399 1023580569 /nfs/dbraw/zinc/58/05/69/1023580569.db2.gz FZBAQVPVJNVQHG-AWEZNQCLSA-N 1 0 367.465 2.665 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756483518 1023718167 /nfs/dbraw/zinc/71/81/67/1023718167.db2.gz OXFFGERYDVUWNB-OAHLLOKOSA-N 1 0 374.506 2.900 20 10 FFCDRO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756902152 1023767495 /nfs/dbraw/zinc/76/74/95/1023767495.db2.gz QEIVFFDOIBPZNZ-MJGOQNOKSA-N 1 0 374.506 2.867 20 10 FFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000757624585 1023838678 /nfs/dbraw/zinc/83/86/78/1023838678.db2.gz VLQCKPPCCSVTEW-HNAYVOBHSA-N 1 0 374.554 2.522 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@@H]3C[NH2+]C[C@H]13)C(=O)c1ccccc1C2=O ZINC001218460580 1033166272 /nfs/dbraw/zinc/16/62/72/1033166272.db2.gz MXPRHTHOSZGPIO-PZPSRYQVSA-N 1 0 363.413 2.853 20 10 FFCDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000191577257 1023863750 /nfs/dbraw/zinc/86/37/50/1023863750.db2.gz OVZINNGNXYAAKG-QFIPXVFZSA-N 1 0 368.477 2.744 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)ccc1OC ZINC000757935065 1023886665 /nfs/dbraw/zinc/88/66/65/1023886665.db2.gz FZIPEYCFHFVODN-UHFFFAOYSA-N 1 0 354.450 2.807 20 10 FFCDRO [O-]c1cccc(F)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001137835922 1033172632 /nfs/dbraw/zinc/17/26/32/1033172632.db2.gz RCTLKEDFAMEGAP-DJJJIMSYSA-N 1 0 362.376 2.878 20 10 FFCDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779502481 1023944011 /nfs/dbraw/zinc/94/40/11/1023944011.db2.gz YJBGBIIYAZJJIA-PKNBQFBNSA-N 1 0 354.450 2.744 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC001121990524 1024242898 /nfs/dbraw/zinc/24/28/98/1024242898.db2.gz FTQJPCJCKQDPII-KMCQBPLKSA-N 1 0 363.477 2.573 20 10 FFCDRO CN1CCOc2cc(CN3CC4(C3)CC[N@H+](Cc3cccnc3)C4)ccc21 ZINC001141142623 1025511976 /nfs/dbraw/zinc/51/19/76/1025511976.db2.gz VAGDKWJDHUWFSL-UHFFFAOYSA-N 1 0 364.493 2.618 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(c5ccsc5)C(=O)[C@H]4C3)ccc21 ZINC001141143117 1025515324 /nfs/dbraw/zinc/51/53/24/1025515324.db2.gz OGEDFVDGTWVRQC-RDJZCZTQSA-N 1 0 369.490 2.672 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)ccc21 ZINC001141143495 1025516441 /nfs/dbraw/zinc/51/64/41/1025516441.db2.gz BAHUZKWKADPFHQ-MRXNPFEDSA-N 1 0 361.486 2.862 20 10 FFCDRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141159326 1025542578 /nfs/dbraw/zinc/54/25/78/1025542578.db2.gz AGNOKUGOPVZZKI-SFHVURJKSA-N 1 0 352.434 2.736 20 10 FFCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837881765 1026082676 /nfs/dbraw/zinc/08/26/76/1026082676.db2.gz HFVZVPHULGCESX-IEBWSBKVSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC(C)(C)C[NH+]3CCCC3)CC2)cc1 ZINC000838190622 1026250014 /nfs/dbraw/zinc/25/00/14/1026250014.db2.gz KQFPDRDRHGRMFF-UHFFFAOYSA-N 1 0 374.529 2.838 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000839148846 1026605424 /nfs/dbraw/zinc/60/54/24/1026605424.db2.gz NLORRKNBNZKKBO-VURMDHGXSA-N 1 0 373.522 2.854 20 10 FFCDRO CNC(=O)NC(=O)CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000839531193 1026717829 /nfs/dbraw/zinc/71/78/29/1026717829.db2.gz GVPHTRJKKHQTHF-HNNXBMFYSA-N 1 0 355.438 2.801 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840147063 1026982599 /nfs/dbraw/zinc/98/25/99/1026982599.db2.gz OXLUQJLWIFNSIX-OAHLLOKOSA-N 1 0 363.502 2.934 20 10 FFCDRO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(O)c1O ZINC001158717647 1027105670 /nfs/dbraw/zinc/10/56/70/1027105670.db2.gz QHQJEIULYIVZCQ-KRWDZBQOSA-N 1 0 357.454 2.505 20 10 FFCDRO CNC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000795603368 1027220833 /nfs/dbraw/zinc/22/08/33/1027220833.db2.gz GJXKRAKGJSTWLA-LJQANCHMSA-N 1 0 371.456 2.629 20 10 FFCDRO Cc1nc(C)c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000092126138 1027224752 /nfs/dbraw/zinc/22/47/52/1027224752.db2.gz GRGZBPSPOHLTLP-UHFFFAOYSA-N 1 0 368.481 2.753 20 10 FFCDRO Cc1occc1C1=N/C(=C/c2ccc(N3CC[NH+](C)CC3)cc2)C(=O)O1 ZINC000840729876 1027232375 /nfs/dbraw/zinc/23/23/75/1027232375.db2.gz UPESBZXUYRBWSG-QGOAFFKASA-N 1 0 351.406 2.684 20 10 FFCDRO Nc1ccc(Cc2ccccc2Nc2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001159741308 1027484039 /nfs/dbraw/zinc/48/40/39/1027484039.db2.gz KUQMILPNIKHXCS-UHFFFAOYSA-N 1 0 360.465 2.803 20 10 FFCDRO O=C1c2ccccc2-c2cccc(Nc3cnc(N4CC[NH2+]CC4)nc3)c21 ZINC001159785174 1027498969 /nfs/dbraw/zinc/49/89/69/1027498969.db2.gz YZJXOVPKQVOJPY-UHFFFAOYSA-N 1 0 357.417 2.841 20 10 FFCDRO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)N3CCc4cccc(O)c4C3)C2)c1 ZINC001160872060 1027906003 /nfs/dbraw/zinc/90/60/03/1027906003.db2.gz GSQYXWQBDIZBRK-XLIONFOSSA-N 1 0 350.462 2.806 20 10 FFCDRO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534992 1028220672 /nfs/dbraw/zinc/22/06/72/1028220672.db2.gz YDAOHFUYUXIVFU-AWEZNQCLSA-N 1 0 359.392 2.607 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000249720897 1028272409 /nfs/dbraw/zinc/27/24/09/1028272409.db2.gz MDMDSZYNPHOFRO-GJZGRUSLSA-N 1 0 363.477 2.540 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@H](C)C3)cc2F)CC1 ZINC000780414149 1028686740 /nfs/dbraw/zinc/68/67/40/1028686740.db2.gz BXUQACVKBBOUKW-RDJZCZTQSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@H]3CCCOC3)CC2)cc1 ZINC000780706144 1028776039 /nfs/dbraw/zinc/77/60/39/1028776039.db2.gz LPYSLAIDKWOJOK-MOPGFXCFSA-N 1 0 361.530 2.612 20 10 FFCDRO c1c2c(nnc1N1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)CCOC2 ZINC001155641194 1028829995 /nfs/dbraw/zinc/82/99/95/1028829995.db2.gz YKMIKIIETJRKIZ-VTAPXXACSA-N 1 0 366.509 2.949 20 10 FFCDRO COC(=O)c1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC001156655490 1029291376 /nfs/dbraw/zinc/29/13/76/1029291376.db2.gz FBGRAZWRMKFYJC-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO COC(=O)c1cc(F)c(C)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656418 1029291491 /nfs/dbraw/zinc/29/14/91/1029291491.db2.gz SSCGPBXESONGNO-UHFFFAOYSA-N 1 0 372.444 2.680 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(COC)ncn3)cc2F)CC1 ZINC000782147143 1029590479 /nfs/dbraw/zinc/59/04/79/1029590479.db2.gz MUTMPLCAMDEKQB-UHFFFAOYSA-N 1 0 359.449 2.516 20 10 FFCDRO Fc1cc(C[NH+]2CCC(c3ccncn3)CC2)ccc1N1CCOCC1 ZINC000840953158 1029940287 /nfs/dbraw/zinc/94/02/87/1029940287.db2.gz GTSZJFJAJVGNKG-UHFFFAOYSA-N 1 0 356.445 2.832 20 10 FFCDRO CC[NH+]1CCN(c2ccccc2NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841017142 1029980286 /nfs/dbraw/zinc/98/02/86/1029980286.db2.gz AQYPPOMZAZVFOB-UHFFFAOYSA-N 1 0 367.497 2.775 20 10 FFCDRO COc1cc2c(c(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c1)O[C@@H](C)C2 ZINC000841042901 1029998195 /nfs/dbraw/zinc/99/81/95/1029998195.db2.gz MPEOGKQPCBYHIB-VBKZILBWSA-N 1 0 355.482 2.874 20 10 FFCDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000841045742 1029999348 /nfs/dbraw/zinc/99/93/48/1029999348.db2.gz PERPRCRHGIWCQA-DNVCBOLYSA-N 1 0 357.498 2.990 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1F ZINC000841104666 1030042097 /nfs/dbraw/zinc/04/20/97/1030042097.db2.gz WULXDQOQIGJGKL-PZJWPPBQSA-N 1 0 355.457 2.589 20 10 FFCDRO C[N@H+](CCN1CCN(C(=O)Nc2ccc(N)cc2)CC1)Cc1ccccc1 ZINC000841299977 1030168141 /nfs/dbraw/zinc/16/81/41/1030168141.db2.gz KXAWRYZRHXAPOZ-UHFFFAOYSA-N 1 0 367.497 2.550 20 10 FFCDRO C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccc(N2CCOCC2)cc1 ZINC000841304091 1030173916 /nfs/dbraw/zinc/17/39/16/1030173916.db2.gz IIWFBMALJQPBHJ-OAHLLOKOSA-N 1 0 354.454 2.865 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000697620059 1030304712 /nfs/dbraw/zinc/30/47/12/1030304712.db2.gz GUMUKPGDHFITMW-CABZTGNLSA-N 1 0 350.278 2.629 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)c3cccc(CC[NH+](C)C)c3)C2)cc1 ZINC001166216696 1030307563 /nfs/dbraw/zinc/30/75/63/1030307563.db2.gz PODZJKPTIPSPMD-IBGZPJMESA-N 1 0 367.493 2.808 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841709987 1030421578 /nfs/dbraw/zinc/42/15/78/1030421578.db2.gz QYHABZNWSMDYOA-FQEVSTJZSA-N 1 0 356.514 2.960 20 10 FFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841731209 1030432766 /nfs/dbraw/zinc/43/27/66/1030432766.db2.gz SQORCYNUBRLVBV-UZLBHIALSA-N 1 0 352.482 2.946 20 10 FFCDRO C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000841742414 1030439937 /nfs/dbraw/zinc/43/99/37/1030439937.db2.gz XNEICHQEGFBMTG-BZSNNMDCSA-N 1 0 374.529 2.649 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1F ZINC000841759509 1030446722 /nfs/dbraw/zinc/44/67/22/1030446722.db2.gz GSFIUNBOBBXTOB-GOSISDBHSA-N 1 0 356.445 2.578 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000841796535 1030472190 /nfs/dbraw/zinc/47/21/90/1030472190.db2.gz QCORSHSGKBCTPP-BRWVUGGUSA-N 1 0 362.493 2.859 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3CCC(=O)[O-])cc2)CC1 ZINC000841810326 1030482044 /nfs/dbraw/zinc/48/20/44/1030482044.db2.gz BENTYWYBEBKMJC-ICSRJNTNSA-N 1 0 359.514 2.952 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000841855973 1030505590 /nfs/dbraw/zinc/50/55/90/1030505590.db2.gz KPPRWKULUJUJSP-QAPCUYQASA-N 1 0 370.522 2.920 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)n(C)n1 ZINC000841858229 1030506279 /nfs/dbraw/zinc/50/62/79/1030506279.db2.gz OFJVMQBGQPJRGH-UHFFFAOYSA-N 1 0 368.403 2.874 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841906813 1030534104 /nfs/dbraw/zinc/53/41/04/1030534104.db2.gz UZRLQGKEFIHHGK-OXQOHEQNSA-N 1 0 352.482 2.774 20 10 FFCDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCCC1 ZINC000841923976 1030544930 /nfs/dbraw/zinc/54/49/30/1030544930.db2.gz JYNRFYDUXVEUKM-KRWDZBQOSA-N 1 0 361.486 2.744 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841925853 1030546120 /nfs/dbraw/zinc/54/61/20/1030546120.db2.gz WLNTVZWGXKVYGI-UHFFFAOYSA-N 1 0 354.498 2.986 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001203552393 1030764277 /nfs/dbraw/zinc/76/42/77/1030764277.db2.gz MFGMZDVIVGIBLG-QKNQBKEWSA-N 1 0 354.450 2.983 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COCc2ccccn2)C1 ZINC001203552767 1030764768 /nfs/dbraw/zinc/76/47/68/1030764768.db2.gz SKUBCCGYMRILGX-QGZVFWFLSA-N 1 0 364.449 2.833 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001203648393 1030805471 /nfs/dbraw/zinc/80/54/71/1030805471.db2.gz KFDGAPPBPAFBJQ-AWEZNQCLSA-N 1 0 364.243 2.988 20 10 FFCDRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658365 1030808151 /nfs/dbraw/zinc/80/81/51/1030808151.db2.gz KTKWQXJUNDZLIA-FXAWDEMLSA-N 1 0 371.868 2.969 20 10 FFCDRO COc1ccc(O)c(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1 ZINC001203672739 1030818832 /nfs/dbraw/zinc/81/88/32/1030818832.db2.gz CSUPCLTWKUBPJB-HZPDHXFCSA-N 1 0 358.463 2.666 20 10 FFCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(OC)ccc1O ZINC001203681258 1030824231 /nfs/dbraw/zinc/82/42/31/1030824231.db2.gz RKYPHCBXFVZBTC-INIZCTEOSA-N 1 0 353.459 2.971 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)Cc1ccc(OC)c(F)c1 ZINC000842718855 1030921199 /nfs/dbraw/zinc/92/11/99/1030921199.db2.gz XUPJGYNHZINXJB-QGZVFWFLSA-N 1 0 374.456 2.851 20 10 FFCDRO CCn1ncc2c1CN(Cc1ccc(O)c(O)c1)C[C@@H]2COCC1CC1 ZINC001203877339 1030949258 /nfs/dbraw/zinc/94/92/58/1030949258.db2.gz DNZHBTNZLHSNRS-MRXNPFEDSA-N 1 0 357.454 2.840 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)cc1O ZINC001203877400 1030952643 /nfs/dbraw/zinc/95/26/43/1030952643.db2.gz ROGLLCIDCJVLNO-HNNXBMFYSA-N 1 0 374.412 2.834 20 10 FFCDRO O=C1NCc2ccccc2CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878121 1030953107 /nfs/dbraw/zinc/95/31/07/1030953107.db2.gz BWGGCCAELAFXSR-UHFFFAOYSA-N 1 0 352.434 2.553 20 10 FFCDRO CC(C)CN1CCN(C)C2(CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001203932162 1030993332 /nfs/dbraw/zinc/99/33/32/1030993332.db2.gz UNJULBJAFHZTBR-UHFFFAOYSA-N 1 0 372.557 2.517 20 10 FFCDRO CNC(=O)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccc(OC)c(F)c1 ZINC000842879516 1031010913 /nfs/dbraw/zinc/01/09/13/1031010913.db2.gz JAQGKOIPBMEQDK-DOTOQJQBSA-N 1 0 372.440 2.722 20 10 FFCDRO COc1ccc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c(O)c1 ZINC000797615080 1031162570 /nfs/dbraw/zinc/16/25/70/1031162570.db2.gz POIWGKJDRWGQCT-UHFFFAOYSA-N 1 0 359.426 2.663 20 10 FFCDRO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)N1CCOCC1 ZINC001204326930 1031228999 /nfs/dbraw/zinc/22/89/99/1031228999.db2.gz IXMQRFNVVWXOPS-HXUWFJFHSA-N 1 0 357.498 2.500 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)cc(O)c1O ZINC001204342054 1031237350 /nfs/dbraw/zinc/23/73/50/1031237350.db2.gz IWRXPWGBAYKWEE-IBGZPJMESA-N 1 0 374.462 2.797 20 10 FFCDRO COc1cc(C[NH+]2CCC(c3nc4ccc(C)cn4n3)CC2)cc(O)c1O ZINC001204343701 1031239952 /nfs/dbraw/zinc/23/99/52/1031239952.db2.gz VVFSDCMIKBZFHY-UHFFFAOYSA-N 1 0 368.437 2.837 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000843298740 1031293973 /nfs/dbraw/zinc/29/39/73/1031293973.db2.gz OJZJOEKMVRQONZ-HXUWFJFHSA-N 1 0 367.493 2.617 20 10 FFCDRO CCCOc1ccc(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000843296302 1031294927 /nfs/dbraw/zinc/29/49/27/1031294927.db2.gz ADVIHNARKKXXML-HXUWFJFHSA-N 1 0 371.481 2.736 20 10 FFCDRO COc1ccc(OC)c(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843351568 1031344767 /nfs/dbraw/zinc/34/47/67/1031344767.db2.gz PNNWMKOHXVGAGR-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)COC1(C)C[NH2+]C1 ZINC000843484158 1031423487 /nfs/dbraw/zinc/42/34/87/1031423487.db2.gz IDLBKBKWFAXPMG-INIZCTEOSA-N 1 0 354.450 2.861 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000843485198 1031423567 /nfs/dbraw/zinc/42/35/67/1031423567.db2.gz OPPAQIGRUGALOD-VQIMIIECSA-N 1 0 354.450 2.861 20 10 FFCDRO [NH3+]C[C@H]1CCCCN(Cc2ccc(I)cc2O)C1 ZINC001206631858 1031586766 /nfs/dbraw/zinc/58/67/66/1031586766.db2.gz BGFKOCHOZDGFMX-LLVKDONJSA-N 1 0 360.239 2.558 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2F)CC1 ZINC000799334767 1031739563 /nfs/dbraw/zinc/73/95/63/1031739563.db2.gz ANKBKOTXSAPUFV-UHFFFAOYSA-N 1 0 372.366 2.819 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000799335050 1031740046 /nfs/dbraw/zinc/74/00/46/1031740046.db2.gz MFPMSRXVQNHBSP-UHFFFAOYSA-N 1 0 368.403 2.927 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)cc2)CC1 ZINC000830051526 1033442996 /nfs/dbraw/zinc/44/29/96/1033442996.db2.gz AHGADJUGNMHTPW-YADHBBJMSA-N 1 0 374.525 2.712 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[NH2+]CC[C@H]3O)cc2)cc1 ZINC001219203794 1033553805 /nfs/dbraw/zinc/55/38/05/1033553805.db2.gz OAOVYFKIFWTAAD-ZAOFJCOUSA-N 1 0 365.477 2.832 20 10 FFCDRO C[C@]1(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)CC[NH2+]C1 ZINC001219493360 1033668748 /nfs/dbraw/zinc/66/87/48/1033668748.db2.gz QKMZYUVIVSQOIR-IBGZPJMESA-N 1 0 353.426 2.851 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c2ccccc2n1C ZINC001138255443 1034025088 /nfs/dbraw/zinc/02/50/88/1034025088.db2.gz GYRWPFPHCQNSSW-SFHLNBCPSA-N 1 0 367.493 2.602 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2cccn2)cc1C ZINC001224871677 1034042744 /nfs/dbraw/zinc/04/27/44/1034042744.db2.gz QOEVTEHUIKLPKH-RTBURBONSA-N 1 0 370.497 2.807 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)CC[C@@H]21 ZINC001138342077 1034172232 /nfs/dbraw/zinc/17/22/32/1034172232.db2.gz YDKXMMMUSHDOGX-APWZRJJASA-N 1 0 369.509 2.534 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340927 1034173036 /nfs/dbraw/zinc/17/30/36/1034173036.db2.gz BXVLAJOQWJASDX-UHFFFAOYSA-N 1 0 369.509 2.678 20 10 FFCDRO CN1CCCc2cc(CN3CCn4cc(C[NH+]5CCCC5)nc4C3)ccc21 ZINC001138355597 1034193291 /nfs/dbraw/zinc/19/32/91/1034193291.db2.gz UIVSWYKGGYAODT-UHFFFAOYSA-N 1 0 365.525 2.877 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000831753303 1034258044 /nfs/dbraw/zinc/25/80/44/1034258044.db2.gz LUWFEPHYJSJGSY-HNNXBMFYSA-N 1 0 351.450 2.555 20 10 FFCDRO COc1ccc(OCCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832283728 1034700791 /nfs/dbraw/zinc/70/07/91/1034700791.db2.gz APJUWRAVMABNJD-HXUWFJFHSA-N 1 0 371.481 2.736 20 10 FFCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1 ZINC000832286068 1034702878 /nfs/dbraw/zinc/70/28/78/1034702878.db2.gz VXRWFCFVDXWUAR-IFXJQAMLSA-N 1 0 371.456 2.917 20 10 FFCDRO COc1cc(CN2CCN(c3cccc(F)c3)CC2)cc(C[NH+](C)C)c1O ZINC001139259960 1035032200 /nfs/dbraw/zinc/03/22/00/1035032200.db2.gz FNIHLJRHHHUIDB-UHFFFAOYSA-N 1 0 373.472 2.924 20 10 FFCDRO COC(=O)COc1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC001139774740 1035228959 /nfs/dbraw/zinc/22/89/59/1035228959.db2.gz SSPLNBVDDYSRNE-UHFFFAOYSA-N 1 0 370.449 2.569 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)N1Cc1cccnc1 ZINC001140054473 1035323588 /nfs/dbraw/zinc/32/35/88/1035323588.db2.gz RNPSTOQAOSNATD-QZTJIDSGSA-N 1 0 355.413 2.692 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC001140102542 1035342702 /nfs/dbraw/zinc/34/27/02/1035342702.db2.gz RIZYYLYUABUESV-RISCZKNCSA-N 1 0 353.260 2.597 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000834321035 1035362218 /nfs/dbraw/zinc/36/22/18/1035362218.db2.gz GFYYXEAILFOESL-UZLBHIALSA-N 1 0 355.482 2.899 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c1O ZINC001140183630 1035371533 /nfs/dbraw/zinc/37/15/33/1035371533.db2.gz FHMOZIMMXFRHMG-KDURUIRLSA-N 1 0 364.445 2.626 20 10 FFCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)no1 ZINC001140282685 1035417565 /nfs/dbraw/zinc/41/75/65/1035417565.db2.gz HNKGJQMTHRBFSY-QGZVFWFLSA-N 1 0 356.470 2.719 20 10 FFCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285971 1035419074 /nfs/dbraw/zinc/41/90/74/1035419074.db2.gz HFUFAGDHCKXXDS-HXUWFJFHSA-N 1 0 359.514 2.528 20 10 FFCDRO CCc1nc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)no1 ZINC001140287900 1035420010 /nfs/dbraw/zinc/42/00/10/1035420010.db2.gz JJWJRSAHOLJYSH-UHFFFAOYSA-N 1 0 370.497 2.973 20 10 FFCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001140339843 1035443468 /nfs/dbraw/zinc/44/34/68/1035443468.db2.gz MBHTXOQELXYESS-KUHUBIRLSA-N 1 0 360.841 2.968 20 10 FFCDRO Oc1cc(Cl)ccc1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001140467123 1035486425 /nfs/dbraw/zinc/48/64/25/1035486425.db2.gz MDFDUXJESNMZJY-RTBURBONSA-N 1 0 373.884 2.916 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000835053866 1035494605 /nfs/dbraw/zinc/49/46/05/1035494605.db2.gz PUNGQBAHBGLQMD-ONEGZZNKSA-N 1 0 371.510 2.968 20 10 FFCDRO Clc1cc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)ccc1N1CCOCC1 ZINC001232202191 1035497681 /nfs/dbraw/zinc/49/76/81/1035497681.db2.gz TWFYMQWZJHTUIQ-INIZCTEOSA-N 1 0 374.872 2.620 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232203086 1035498434 /nfs/dbraw/zinc/49/84/34/1035498434.db2.gz OINJOLWIBCMRRO-UHFFFAOYSA-N 1 0 366.889 2.952 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)c1ccncc1 ZINC001232263241 1035535578 /nfs/dbraw/zinc/53/55/78/1035535578.db2.gz LJERYUQZOWLHEF-UHFFFAOYSA-N 1 0 361.829 2.541 20 10 FFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232266812 1035537837 /nfs/dbraw/zinc/53/78/37/1035537837.db2.gz ZIGQJMAWYFGPIC-LBPRGKRZSA-N 1 0 365.817 2.512 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232271170 1035541732 /nfs/dbraw/zinc/54/17/32/1035541732.db2.gz OXANXZOWYZZQMS-CQSZACIVSA-N 1 0 370.877 2.514 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4cnsc4)C3)C2=O)cc1 ZINC001277650592 1035606407 /nfs/dbraw/zinc/60/64/07/1035606407.db2.gz WUYATYFLNLANGE-FQEVSTJZSA-N 1 0 370.522 2.834 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCC[C@H](C(=O)OC)[C@@H]2C)c2ccccc2n1C ZINC001232406092 1035653563 /nfs/dbraw/zinc/65/35/63/1035653563.db2.gz UFZLICZBCAKQJZ-KBPBESRZSA-N 1 0 358.438 2.738 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCC[C@@H](C(=O)OC)CC2)c2ccccc2n1C ZINC001232410111 1035657541 /nfs/dbraw/zinc/65/75/41/1035657541.db2.gz IVCKJPLZEJEEEQ-CQSZACIVSA-N 1 0 358.438 2.740 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001277232350 1035677739 /nfs/dbraw/zinc/67/77/39/1035677739.db2.gz PBZFAAHCYNGHSD-GOSISDBHSA-N 1 0 361.829 2.658 20 10 FFCDRO COC[C@@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140620645 1035745122 /nfs/dbraw/zinc/74/51/22/1035745122.db2.gz WUVIICKHVWAXLU-LJQANCHMSA-N 1 0 372.509 2.798 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001140620453 1035745829 /nfs/dbraw/zinc/74/58/29/1035745829.db2.gz OULGJGUNXMUAFZ-GHTZIAJQSA-N 1 0 351.450 2.624 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC001140621000 1035748645 /nfs/dbraw/zinc/74/86/45/1035748645.db2.gz LGPOTMUPSJFRNL-UHFFFAOYSA-N 1 0 354.450 2.805 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140744491 1036032911 /nfs/dbraw/zinc/03/29/11/1036032911.db2.gz ZDEFRYZNCZXFKX-UHFFFAOYSA-N 1 0 362.451 2.640 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1O ZINC001140744990 1036036529 /nfs/dbraw/zinc/03/65/29/1036036529.db2.gz RVWBZKHPMXSNBR-FBBABVLZSA-N 1 0 370.449 2.750 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140745874 1036040685 /nfs/dbraw/zinc/04/06/85/1036040685.db2.gz ORIJCTCGOQBPRW-UHFFFAOYSA-N 1 0 370.449 2.511 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1O ZINC001140748105 1036048028 /nfs/dbraw/zinc/04/80/28/1036048028.db2.gz GMBWNNULMMSZIM-IYBDPMFKSA-N 1 0 358.463 2.672 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140749285 1036050108 /nfs/dbraw/zinc/05/01/08/1036050108.db2.gz VMBCTDVNJWIVNA-UHFFFAOYSA-N 1 0 356.422 2.515 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c1O ZINC001140750162 1036053612 /nfs/dbraw/zinc/05/36/12/1036053612.db2.gz WSCIBHITHSVVEW-SFHVURJKSA-N 1 0 354.422 2.845 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001140749523 1036054005 /nfs/dbraw/zinc/05/40/05/1036054005.db2.gz CQGCFGKIXJKLJJ-LBPRGKRZSA-N 1 0 369.343 2.868 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)c(O)c1 ZINC001232835928 1036087697 /nfs/dbraw/zinc/08/76/97/1036087697.db2.gz IMGTVSDFTHXMNF-UHFFFAOYSA-N 1 0 361.486 2.947 20 10 FFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001232836640 1036089513 /nfs/dbraw/zinc/08/95/13/1036089513.db2.gz SENZMVXKMHKRRE-OALUTQOASA-N 1 0 365.477 2.662 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccc(I)cc2O)CCC[C@@H]1O ZINC001232973998 1036207915 /nfs/dbraw/zinc/20/79/15/1036207915.db2.gz FGQGJJIDBKTJJX-GWCFXTLKSA-N 1 0 361.223 2.590 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]12CCN(Cc1ccncc1)C2=O ZINC001277315105 1036192754 /nfs/dbraw/zinc/19/27/54/1036192754.db2.gz 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ZINC001233111500 1036356107 /nfs/dbraw/zinc/35/61/07/1036356107.db2.gz QSHFBGWXOZRZCJ-INIZCTEOSA-N 1 0 369.303 2.760 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233135010 1036385717 /nfs/dbraw/zinc/38/57/17/1036385717.db2.gz JGNNGNFFMOVWCO-GHMZBOCLSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)cc1Br ZINC001233140716 1036387809 /nfs/dbraw/zinc/38/78/09/1036387809.db2.gz SBYQKZCWBCFAAB-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(N(C)C)cc1Cl ZINC001140923833 1036462251 /nfs/dbraw/zinc/46/22/51/1036462251.db2.gz IVYFMTWUYJKIDQ-UHFFFAOYSA-N 1 0 355.910 2.723 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926733 1036464852 /nfs/dbraw/zinc/46/48/52/1036464852.db2.gz RYBQHWVHXZASST-HNNXBMFYSA-N 1 0 362.861 2.858 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cnco4)C3)C2)cc1 ZINC001140928105 1036470046 /nfs/dbraw/zinc/47/00/46/1036470046.db2.gz JFNIBZINVYJYNY-HXUWFJFHSA-N 1 0 357.454 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ZINC001233487109 1036655644 /nfs/dbraw/zinc/65/56/44/1036655644.db2.gz QFFBQNGUJXATOC-FQEVSTJZSA-N 1 0 355.390 2.645 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486683 1036656490 /nfs/dbraw/zinc/65/64/90/1036656490.db2.gz XTZCPLHBTPBOOG-WCQYABFASA-N 1 0 352.431 2.539 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)CCS1 ZINC001233776342 1036758594 /nfs/dbraw/zinc/75/85/94/1036758594.db2.gz QBISTWZZMJDRGX-GFCCVEGCSA-N 1 0 365.373 2.771 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141028176 1036765828 /nfs/dbraw/zinc/76/58/28/1036765828.db2.gz DSCBKTPYSISICW-ZDUSSCGKSA-N 1 0 351.443 2.963 20 10 FFCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031450 1036774519 /nfs/dbraw/zinc/77/45/19/1036774519.db2.gz FCEOGUWDYGZSIZ-LJQANCHMSA-N 1 0 351.443 2.965 20 10 FFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC001277814289 1036796645 /nfs/dbraw/zinc/79/66/45/1036796645.db2.gz YTJOUWIFTLAGPF-NUEKZKHPSA-N 1 0 362.470 2.773 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(C[C@@H]4CCCO4)CC3)c2c1 ZINC001234552576 1037082011 /nfs/dbraw/zinc/08/20/11/1037082011.db2.gz ADGYGVDWFWPHOG-SFHVURJKSA-N 1 0 356.466 2.851 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4[C@@H](CCC(=O)N4C)C3)c2c1 ZINC001234577496 1037097834 /nfs/dbraw/zinc/09/78/34/1037097834.db2.gz FFTCIABWFZTKMX-KXBFYZLASA-N 1 0 354.450 2.997 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCOCC23C[NH2+]C3)c(O)c1 ZINC001235016941 1037306350 /nfs/dbraw/zinc/30/63/50/1037306350.db2.gz UURNWWIZLLERJS-UHFFFAOYSA-N 1 0 361.530 2.973 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@]23CC[NH2+]C3)cc1Br ZINC001235120918 1037373927 /nfs/dbraw/zinc/37/39/27/1037373927.db2.gz WCDBNFMYJOXWIH-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(C(=O)[O-])cc1O ZINC001231454916 1037597637 /nfs/dbraw/zinc/59/76/37/1037597637.db2.gz KINGZSMVZYHGCO-UHFFFAOYSA-N 1 0 365.518 2.576 20 10 FFCDRO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC001231467712 1037614709 /nfs/dbraw/zinc/61/47/09/1037614709.db2.gz JRPJKAVKEHBADG-WEYGHZABSA-N 1 0 369.461 2.943 20 10 FFCDRO COc1ccc(Br)c(CN2CC[NH+](CC(C)C)CC2)c1O ZINC001231550898 1037674966 /nfs/dbraw/zinc/67/49/66/1037674966.db2.gz SXIZYFMGUAGDRF-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc(C(C)(C)C)cc2O)C3)n1 ZINC001235679904 1037680441 /nfs/dbraw/zinc/68/04/41/1037680441.db2.gz QVSFWJXYMCMZAG-OXQOHEQNSA-N 1 0 357.454 2.781 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)c1O ZINC001231591502 1037707006 /nfs/dbraw/zinc/70/70/06/1037707006.db2.gz DWEOTCHCUCZLMW-VAMGGRTRSA-N 1 0 372.509 2.940 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(c3ccc4oc(C(N)=O)cc4c3)CC2)c1O ZINC001231594744 1037715415 /nfs/dbraw/zinc/71/54/15/1037715415.db2.gz OMOCNJMGUORIBP-UHFFFAOYSA-N 1 0 365.433 2.868 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c(O)c1 ZINC001277965527 1037716287 /nfs/dbraw/zinc/71/62/87/1037716287.db2.gz IZLJSBWCCPIIKW-UHFFFAOYSA-N 1 0 368.424 2.871 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 ZINC001235792874 1037745378 /nfs/dbraw/zinc/74/53/78/1037745378.db2.gz ZBGUMVRQWBRSRG-GOSISDBHSA-N 1 0 374.868 2.908 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c(O)cc1O ZINC001231636491 1037759214 /nfs/dbraw/zinc/75/92/14/1037759214.db2.gz WVCPHKQTCDKCLZ-UHFFFAOYSA-N 1 0 371.393 2.555 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)c(O)cc1O ZINC001231639742 1037762817 /nfs/dbraw/zinc/76/28/17/1037762817.db2.gz IMIVOBYCEDHLCR-TZMCWYRMSA-N 1 0 366.458 2.984 20 10 FFCDRO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(O)cc1O ZINC001231640002 1037765675 /nfs/dbraw/zinc/76/56/75/1037765675.db2.gz OEFDQKGQSYQJNR-SJLPKXTDSA-N 1 0 354.450 2.813 20 10 FFCDRO CC(C)C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC[NH2+]1 ZINC001235882469 1037815298 /nfs/dbraw/zinc/81/52/98/1037815298.db2.gz SEJLANVLMLTCSZ-KRWDZBQOSA-N 1 0 351.922 2.997 20 10 FFCDRO COc1cc(CN2CC[NH2+][C@@H](CC(C)C)C2)c(O)cc1Br ZINC001235881630 1037815464 /nfs/dbraw/zinc/81/54/64/1037815464.db2.gz IUYJDJWUHBQBHF-ZDUSSCGKSA-N 1 0 357.292 2.983 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001231857960 1037957336 /nfs/dbraw/zinc/95/73/36/1037957336.db2.gz PHKYHBYLJQKAHQ-SFHVURJKSA-N 1 0 356.470 2.903 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1Cl ZINC001231867966 1037963533 /nfs/dbraw/zinc/96/35/33/1037963533.db2.gz QDIIGGQZWJGWSX-LJQANCHMSA-N 1 0 374.872 2.717 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H](O)C1 ZINC001231879527 1037973902 /nfs/dbraw/zinc/97/39/02/1037973902.db2.gz HDDOPWKRNKLGPU-KRWDZBQOSA-N 1 0 372.465 2.959 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@H]([NH2+]C3CC3)C2)c(Br)c1 ZINC001236221513 1037991432 /nfs/dbraw/zinc/99/14/32/1037991432.db2.gz DWWXQFHVHTZLOK-LBPRGKRZSA-N 1 0 355.276 2.880 20 10 FFCDRO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC001231912273 1038006870 /nfs/dbraw/zinc/00/68/70/1038006870.db2.gz YPMGOJOGPNHREZ-IYBDPMFKSA-N 1 0 357.841 2.645 20 10 FFCDRO O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001276553560 1038013988 /nfs/dbraw/zinc/01/39/88/1038013988.db2.gz QVSAENRCDYOKOQ-HXUWFJFHSA-N 1 0 360.454 2.703 20 10 FFCDRO COCCN(Cc1cc(C)cc(Br)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236332439 1038049498 /nfs/dbraw/zinc/04/94/98/1038049498.db2.gz UGGKGSQVOGZEPC-CQSZACIVSA-N 1 0 357.292 2.664 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c(OC)c1 ZINC001236412836 1038079689 /nfs/dbraw/zinc/07/96/89/1038079689.db2.gz YVAYHLLAKWTTLP-IBGZPJMESA-N 1 0 367.493 2.540 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3[C@H](C)CNCC3(F)F)CC2)cc1 ZINC001236433826 1038087087 /nfs/dbraw/zinc/08/70/87/1038087087.db2.gz MIEVKOVIJAWAIU-CRAIPNDOSA-N 1 0 353.457 2.698 20 10 FFCDRO CC(C)N(Cc1ccc(I)cc1O)[C@H]1CC[NH2+]C1 ZINC001236531429 1038119733 /nfs/dbraw/zinc/11/97/33/1038119733.db2.gz YSSWJOGAZMDDFO-ZDUSSCGKSA-N 1 0 360.239 2.569 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC001236671755 1038184884 /nfs/dbraw/zinc/18/48/84/1038184884.db2.gz XXXGGLRSSVHXNW-UHFFFAOYSA-N 1 0 354.244 2.992 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)cc1OC ZINC001236754683 1038241270 /nfs/dbraw/zinc/24/12/70/1038241270.db2.gz UGKAECSGDRVJKB-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO O=C(C1CC[NH+](Cc2cc3ccccc3cc2O)CC1)N1CCOCC1 ZINC001236841592 1038303762 /nfs/dbraw/zinc/30/37/62/1038303762.db2.gz LMHMOCXJWDTJCP-UHFFFAOYSA-N 1 0 354.450 2.616 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C3CCN(c4ncccn4)CC3)CC2)cc1 ZINC001256062877 1038354368 /nfs/dbraw/zinc/35/43/68/1038354368.db2.gz JWOBYYQABOUFFY-UHFFFAOYSA-N 1 0 367.497 2.666 20 10 FFCDRO [NH3+]C[C@@H]1Cc2ccccc2CN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001237019640 1038408960 /nfs/dbraw/zinc/40/89/60/1038408960.db2.gz ISBKTKSECUQQEV-FQEVSTJZSA-N 1 0 363.505 2.977 20 10 FFCDRO CCOc1ccc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c(O)c1 ZINC001237043136 1038420506 /nfs/dbraw/zinc/42/05/06/1038420506.db2.gz OHQQEFQFXLWZOF-UHFFFAOYSA-N 1 0 353.466 2.894 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001237058513 1038426815 /nfs/dbraw/zinc/42/68/15/1038426815.db2.gz ILPQLACYIMMNJK-CYBMUJFWSA-N 1 0 356.348 2.762 20 10 FFCDRO COc1cc(O)c(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(Br)c1 ZINC001237067516 1038433625 /nfs/dbraw/zinc/43/36/25/1038433625.db2.gz JNRBITSXUFKVCE-NHYWBVRUSA-N 1 0 355.276 2.689 20 10 FFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237073988 1038437406 /nfs/dbraw/zinc/43/74/06/1038437406.db2.gz YOKXXZHSONDYNC-MRXNPFEDSA-N 1 0 372.259 2.938 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001237126119 1038451889 /nfs/dbraw/zinc/45/18/89/1038451889.db2.gz USPOSOLWYWDATC-NSHDSACASA-N 1 0 373.306 2.873 20 10 FFCDRO C[N@H+](CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)Cc1ccccc1O ZINC001209062999 1038653128 /nfs/dbraw/zinc/65/31/28/1038653128.db2.gz UHGWKMXNWMURQI-MRXNPFEDSA-N 1 0 350.459 2.850 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001257073297 1038702166 /nfs/dbraw/zinc/70/21/66/1038702166.db2.gz ZCJGWTRJNIOPSF-CVEARBPZSA-N 1 0 362.470 2.558 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cnccn4)C3)C2)cc1 ZINC001209782612 1039219421 /nfs/dbraw/zinc/21/94/21/1039219421.db2.gz RUGRIXKTUUCNLI-NRFANRHFSA-N 1 0 368.481 2.604 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC001251637515 1039220275 /nfs/dbraw/zinc/22/02/75/1039220275.db2.gz AGXBKPBPWCZWOU-SMDDNHRTSA-N 1 0 352.372 2.681 20 10 FFCDRO COc1ccccc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001537478068 1070193016 /nfs/dbraw/zinc/19/30/16/1070193016.db2.gz UBNMHOXLMGWHMM-LJQANCHMSA-N 1 0 355.482 2.723 20 10 FFCDRO Oc1ccc(CC[NH2+]C[C@@H](O)COc2cccc3ccccc32)cc1O ZINC001252395519 1039526539 /nfs/dbraw/zinc/52/65/39/1039526539.db2.gz FJDJANKOZHFEQV-QGZVFWFLSA-N 1 0 353.418 2.823 20 10 FFCDRO C[C@@H]1C[C@@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001246998873 1039570932 /nfs/dbraw/zinc/57/09/32/1039570932.db2.gz HFFGQHCYSOSFQI-NQIIRXRSSA-N 1 0 366.509 2.923 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001278490486 1039850500 /nfs/dbraw/zinc/85/05/00/1039850500.db2.gz GQFGVEIAKIBQBR-CABCVRRESA-N 1 0 360.889 2.968 20 10 FFCDRO O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4c(O)cccc4Cl)[C@@H]3C2)[nH]1 ZINC001278491304 1039884339 /nfs/dbraw/zinc/88/43/39/1039884339.db2.gz TWKSCOHYZSXMTA-SUMWQHHRSA-N 1 0 359.857 2.853 20 10 FFCDRO CCCC[C@@H](CC)COC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253023844 1039926154 /nfs/dbraw/zinc/92/61/54/1039926154.db2.gz WXMCUXVOGIOLIC-GDBMZVCRSA-N 1 0 355.475 2.529 20 10 FFCDRO OCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc3ccccc3cc2O)cc1 ZINC001253163602 1040015627 /nfs/dbraw/zinc/01/56/27/1040015627.db2.gz COVZYZSCHYVVCA-FQEVSTJZSA-N 1 0 367.445 2.610 20 10 FFCDRO C[NH+]1CCC(COc2ccccc2NC[C@@H](O)COC(C)(C)C)CC1 ZINC001253465434 1040194521 /nfs/dbraw/zinc/19/45/21/1040194521.db2.gz ABCVEMDSFDQHOA-QGZVFWFLSA-N 1 0 350.503 2.995 20 10 FFCDRO COc1cc(O)c(C[NH+]2CC3CC(C3)C2)cc1I ZINC001248471922 1040290873 /nfs/dbraw/zinc/29/08/73/1040290873.db2.gz GWSDONQCFKKWNT-UHFFFAOYSA-N 1 0 359.207 2.847 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001249174162 1040616519 /nfs/dbraw/zinc/61/65/19/1040616519.db2.gz ZKBSHZIZEMVVIT-OAHLLOKOSA-N 1 0 365.426 2.634 20 10 FFCDRO COC(=O)Cc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c(O)c1 ZINC001249184382 1040619514 /nfs/dbraw/zinc/61/95/14/1040619514.db2.gz AQSRRUZKKPIQBB-UHFFFAOYSA-N 1 0 372.509 2.948 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001249201609 1040626707 /nfs/dbraw/zinc/62/67/07/1040626707.db2.gz ZZCCMYBNDDZHNV-QGZVFWFLSA-N 1 0 368.477 2.814 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c(O)c1 ZINC001249201379 1040627006 /nfs/dbraw/zinc/62/70/06/1040627006.db2.gz QPLFCIJOPHFTNF-GOSISDBHSA-N 1 0 359.397 2.900 20 10 FFCDRO CC(=O)N1CCC([N@H+](C)Cc2cc(C)c(Br)cc2O)CC1 ZINC001250128965 1041124132 /nfs/dbraw/zinc/12/41/32/1041124132.db2.gz ROTMGKPYERHABE-UHFFFAOYSA-N 1 0 355.276 2.906 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)c(Br)cc2O)C1 ZINC001250134035 1041127019 /nfs/dbraw/zinc/12/70/19/1041127019.db2.gz WBFRUMHNAUTAEF-CQSZACIVSA-N 1 0 355.276 2.906 20 10 FFCDRO COc1cc2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)[nH]c2cc1OC ZINC001250773383 1041357333 /nfs/dbraw/zinc/35/73/33/1041357333.db2.gz PXMJOQPDHZZQKO-UHFFFAOYSA-N 1 0 352.438 2.999 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)COc3cccc(F)c3)CC2)cc1 ZINC001250809199 1041376579 /nfs/dbraw/zinc/37/65/79/1041376579.db2.gz FTILNMJVGXUKRL-LJQANCHMSA-N 1 0 374.456 2.786 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(N(C)C)nc2)[NH+](C)C)cc1 ZINC001214660764 1041522920 /nfs/dbraw/zinc/52/29/20/1041522920.db2.gz IWJXGJLBXZKUQZ-SFHVURJKSA-N 1 0 370.501 2.638 20 10 FFCDRO O=C(Cc1ccsc1)N1CC2(C1)CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001279140949 1042915933 /nfs/dbraw/zinc/91/59/33/1042915933.db2.gz MEOCAWCAFOKSGK-UHFFFAOYSA-N 1 0 372.490 2.826 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001279150442 1042921278 /nfs/dbraw/zinc/92/12/78/1042921278.db2.gz YWYXMUYKZWYLPT-OAQYLSRUSA-N 1 0 353.514 2.964 20 10 FFCDRO O=C(Nc1cccnc1)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001279197356 1042941936 /nfs/dbraw/zinc/94/19/36/1042941936.db2.gz SGILXQXAOZPHGV-SUMWQHHRSA-N 1 0 356.401 2.665 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3c(C)ccc(C)c3O)[C@@H]2C1 ZINC001279234709 1042958672 /nfs/dbraw/zinc/95/86/72/1042958672.db2.gz HNOAVFTXNQKBCV-PKOBYXMFSA-N 1 0 354.498 2.932 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1Cl ZINC001279333781 1043008024 /nfs/dbraw/zinc/00/80/24/1043008024.db2.gz OBBFVYNAPDFWSZ-OALUTQOASA-N 1 0 367.921 2.675 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)[C@@H]2C1 ZINC001279395135 1043050745 /nfs/dbraw/zinc/05/07/45/1043050745.db2.gz LBHNLJLBNXBBJN-QFBILLFUSA-N 1 0 362.514 2.816 20 10 FFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1C ZINC001237204042 1043052124 /nfs/dbraw/zinc/05/21/24/1043052124.db2.gz XKYFUOGKBDANTB-SJORKVTESA-N 1 0 350.528 2.789 20 10 FFCDRO O=C([O-])c1ccc(C[NH+]2CCC3(CC2)NCCc2ccccc23)c(O)c1 ZINC001237290059 1043094736 /nfs/dbraw/zinc/09/47/36/1043094736.db2.gz VLWYWYZPQRFONP-UHFFFAOYSA-N 1 0 352.434 2.727 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(CCN3C(=O)CCc3ccc[nH]3)C2)c(O)c1 ZINC001279428189 1043102345 /nfs/dbraw/zinc/10/23/45/1043102345.db2.gz TVQKYWNKXDZINZ-UHFFFAOYSA-N 1 0 353.466 2.757 20 10 FFCDRO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@H](C1)O2 ZINC001279432610 1043106365 /nfs/dbraw/zinc/10/63/65/1043106365.db2.gz MADOBPYWGWAWLG-CALCHBBNSA-N 1 0 373.522 2.859 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(Br)c1 ZINC001237410451 1043147334 /nfs/dbraw/zinc/14/73/34/1043147334.db2.gz DBVZBHZSATYGBZ-NHYWBVRUSA-N 1 0 355.276 2.737 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)c1 ZINC001279473448 1043155685 /nfs/dbraw/zinc/15/56/85/1043155685.db2.gz BSMSMDLYTMQYLK-UHFFFAOYSA-N 1 0 354.498 2.704 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001279475577 1043158190 /nfs/dbraw/zinc/15/81/90/1043158190.db2.gz XEXZVQDZAPKKJP-KDURUIRLSA-N 1 0 362.514 2.959 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC001237488057 1043203724 /nfs/dbraw/zinc/20/37/24/1043203724.db2.gz QBFNLIOQZBQSNQ-YLJYHZDGSA-N 1 0 364.445 2.850 20 10 FFCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237648974 1043293515 /nfs/dbraw/zinc/29/35/15/1043293515.db2.gz IRZYVTGHHLEPKR-SFHVURJKSA-N 1 0 359.397 2.962 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237674904 1043303103 /nfs/dbraw/zinc/30/31/03/1043303103.db2.gz ZHLXETLWHOXNTD-BBRMVZONSA-N 1 0 374.462 2.566 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC001237675176 1043304111 /nfs/dbraw/zinc/30/41/11/1043304111.db2.gz BCQBRTAHNAURIC-OALUTQOASA-N 1 0 368.477 2.973 20 10 FFCDRO Cc1cc(O)c(CN2CC[NH+](C3CCOCC3)CC2)cc1Br ZINC001237678042 1043305088 /nfs/dbraw/zinc/30/50/88/1043305088.db2.gz HXPNMOIOOPXSRL-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c(O)c(OC)c1 ZINC001237676506 1043305546 /nfs/dbraw/zinc/30/55/46/1043305546.db2.gz OZGPRFHEHMMYEZ-UHFFFAOYSA-N 1 0 362.470 2.680 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)C1=O ZINC001237687317 1043315324 /nfs/dbraw/zinc/31/53/24/1043315324.db2.gz ZHPIFCCOPDBHKQ-IBGZPJMESA-N 1 0 366.889 2.815 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c1O ZINC001237687273 1043315642 /nfs/dbraw/zinc/31/56/42/1043315642.db2.gz YHHWSUNJMYQOFD-UHFFFAOYSA-N 1 0 371.872 2.854 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001238060070 1043507059 /nfs/dbraw/zinc/50/70/59/1043507059.db2.gz GTDHZJPTDMVVGE-WIYYLYMNSA-N 1 0 369.440 2.763 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)c1O ZINC001238061614 1043508864 /nfs/dbraw/zinc/50/88/64/1043508864.db2.gz PCUXGYKTROVNDV-SFHVURJKSA-N 1 0 370.490 2.620 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)ccc21 ZINC001311726948 1043967702 /nfs/dbraw/zinc/96/77/02/1043967702.db2.gz DZTNTOOIZSVPRN-IBGZPJMESA-N 1 0 358.530 2.989 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CC=CC3)C2)c1O ZINC001279982040 1044031470 /nfs/dbraw/zinc/03/14/70/1044031470.db2.gz UDCJSJKLWNIMJD-UWJYYQICSA-N 1 0 356.466 2.791 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001279983424 1044032870 /nfs/dbraw/zinc/03/28/70/1044032870.db2.gz KGBLQWGMQWBAFY-INIZCTEOSA-N 1 0 366.889 2.753 20 10 FFCDRO O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279983751 1044036282 /nfs/dbraw/zinc/03/62/82/1044036282.db2.gz QATGBPZNTVKUGF-JBNLSRPWSA-N 1 0 358.816 2.931 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C2CC(F)(F)C2)c1 ZINC001279985863 1044040335 /nfs/dbraw/zinc/04/03/35/1044040335.db2.gz IALJEMJFJDIJQL-YJYMSZOUSA-N 1 0 366.408 2.621 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)Nc4nccn4C)(C2)C3)c(Cl)c1 ZINC001280041880 1044125068 /nfs/dbraw/zinc/12/50/68/1044125068.db2.gz ADEULJCQJHNJJO-UHFFFAOYSA-N 1 0 373.888 2.791 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCCO3)C2)c(Cl)c1 ZINC001280044485 1044128884 /nfs/dbraw/zinc/12/88/84/1044128884.db2.gz KICBEKDYAANXHY-DNVCBOLYSA-N 1 0 363.889 2.782 20 10 FFCDRO COC(=O)c1cc2ccc(-c3cnc(N4CC[NH2+]CC4)c(C)c3)cc2n1C ZINC001239733270 1044161163 /nfs/dbraw/zinc/16/11/63/1044161163.db2.gz AOPZIDGKQCFBGC-UHFFFAOYSA-N 1 0 364.449 2.745 20 10 FFCDRO Cc1cc(-c2ccn(Cc3ccccc3)c(=O)c2)cnc1N1CC[NH2+]CC1 ZINC001239737987 1044163058 /nfs/dbraw/zinc/16/30/58/1044163058.db2.gz AFONMLKWPZWFGK-UHFFFAOYSA-N 1 0 360.461 2.677 20 10 FFCDRO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1ccc3c(c1)OCCN3C)C2)C(C)C ZINC001280080975 1044180902 /nfs/dbraw/zinc/18/09/02/1044180902.db2.gz LXTKLHMPJGLQGH-KRWDZBQOSA-N 1 0 357.498 2.594 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001312993860 1044207409 /nfs/dbraw/zinc/20/74/09/1044207409.db2.gz FAVPMZLKUDMRDK-INIZCTEOSA-N 1 0 362.518 2.503 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3C[C@H]3C3CC3)cc2)CC1 ZINC001313211792 1044276155 /nfs/dbraw/zinc/27/61/55/1044276155.db2.gz KQPHVZWNAJGFCV-QUCCMNQESA-N 1 0 356.514 2.674 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC001539234813 1070593125 /nfs/dbraw/zinc/59/31/25/1070593125.db2.gz GSDXPBWQDIPVCD-HXUWFJFHSA-N 1 0 367.493 2.649 20 10 FFCDRO Cc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ccccn12 ZINC001539236602 1070593756 /nfs/dbraw/zinc/59/37/56/1070593756.db2.gz VYFAFBBMKTTXLK-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1ccnc1 ZINC001319493753 1045171951 /nfs/dbraw/zinc/17/19/51/1045171951.db2.gz JFWFIBSLPMYWOY-XJKSGUPXSA-N 1 0 362.861 2.584 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnoc3C3CC3)cc2F)CC1 ZINC001319547061 1045189885 /nfs/dbraw/zinc/18/98/85/1045189885.db2.gz AALGGMQLBHBSLE-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCc3ccccc3)C(=O)[O-])cc2)CC1 ZINC001320873001 1045486084 /nfs/dbraw/zinc/48/60/84/1045486084.db2.gz VFCXNGZZYVFPKN-NRFANRHFSA-N 1 0 367.493 2.614 20 10 FFCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC001321560385 1045710266 /nfs/dbraw/zinc/71/02/66/1045710266.db2.gz YTYJYXBDANRSFU-UHFFFAOYSA-N 1 0 368.477 2.972 20 10 FFCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324238189 1045931549 /nfs/dbraw/zinc/93/15/49/1045931549.db2.gz YXBYDWRACMFVOC-HNNXBMFYSA-N 1 0 355.404 2.787 20 10 FFCDRO CCCOc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289600530 1047707659 /nfs/dbraw/zinc/70/76/59/1047707659.db2.gz RKWJYRWNACZLBF-GOSISDBHSA-N 1 0 370.497 2.969 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC001327701761 1048002413 /nfs/dbraw/zinc/00/24/13/1048002413.db2.gz ZQKIUHIQELLPNX-KRWDZBQOSA-N 1 0 362.493 2.813 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)C[C@@](C)(O)c3ccccc3)cc2F)CC1 ZINC001332002238 1048203881 /nfs/dbraw/zinc/20/38/81/1048203881.db2.gz CKBYDHGIIKDDDE-JOCHJYFZSA-N 1 0 371.500 2.917 20 10 FFCDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001328605676 1048378243 /nfs/dbraw/zinc/37/82/43/1048378243.db2.gz BUBJGPNPSNKVLJ-RRQGHBQHSA-N 1 0 367.440 2.891 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001332431906 1048392858 /nfs/dbraw/zinc/39/28/58/1048392858.db2.gz OFZJORCLCAGYPS-AQNXPRMDSA-N 1 0 359.514 2.648 20 10 FFCDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1 ZINC000829003972 1048617004 /nfs/dbraw/zinc/61/70/04/1048617004.db2.gz WFXWOGRAGXHQNI-PMACEKPBSA-N 1 0 368.477 2.860 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3COc4ccc(OC)cc4C3)C2)cc1 ZINC001329574385 1048783442 /nfs/dbraw/zinc/78/34/42/1048783442.db2.gz SJNIJGHJCIOYQO-SJORKVTESA-N 1 0 354.450 2.876 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c(O)c1OC ZINC001334214519 1049315037 /nfs/dbraw/zinc/31/50/37/1049315037.db2.gz NEGISXJUTSAXEQ-CYBMUJFWSA-N 1 0 367.392 2.628 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CC3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC001334303685 1049359428 /nfs/dbraw/zinc/35/94/28/1049359428.db2.gz OGVHONWCZZRFOQ-BFHRDPOASA-N 1 0 366.456 2.842 20 10 FFCDRO O=C(c1coc([C@@H]2CCC[NH2+]2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001341690217 1050312232 /nfs/dbraw/zinc/31/22/32/1050312232.db2.gz VOUYMCXTIMGSPH-HOTGVXAUSA-N 1 0 371.437 2.626 20 10 FFCDRO Nc1ccc(CC(=O)N2CCC3(CC2)C[C@@H]([NH3+])c2ccccc2O3)cc1 ZINC001341323850 1051678611 /nfs/dbraw/zinc/67/86/11/1051678611.db2.gz SLTPOBUDQBKELK-GOSISDBHSA-N 1 0 351.450 2.655 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CCC(C)(C)C)CC2)cc1 ZINC001307875790 1052359001 /nfs/dbraw/zinc/35/90/01/1052359001.db2.gz XOJLFFUMNWLKCO-IBGZPJMESA-N 1 0 363.546 2.546 20 10 FFCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000754045807 1052445298 /nfs/dbraw/zinc/44/52/98/1052445298.db2.gz JXLDTLQFESLSKO-DOTOQJQBSA-N 1 0 363.458 2.869 20 10 FFCDRO Cc1ccc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c(O)c1 ZINC001308569015 1052470751 /nfs/dbraw/zinc/47/07/51/1052470751.db2.gz XIHKYLZKUYHQDA-HXUWFJFHSA-N 1 0 365.477 2.624 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308807489 1052502722 /nfs/dbraw/zinc/50/27/22/1052502722.db2.gz UVXMBYHKKYHUQU-AWEZNQCLSA-N 1 0 356.850 2.771 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCC[NH2+]1 ZINC001346104706 1052749770 /nfs/dbraw/zinc/74/97/70/1052749770.db2.gz DXWVYMGFPAHTQZ-WMLDXEAASA-N 1 0 367.440 2.905 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001346140916 1052765747 /nfs/dbraw/zinc/76/57/47/1052765747.db2.gz IDKILQBMQCXYSP-RTBURBONSA-N 1 0 362.518 2.646 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3COc4ccccc43)cc2F)CC1 ZINC001346910824 1053434377 /nfs/dbraw/zinc/43/43/77/1053434377.db2.gz HCLBACBHNGMMIM-KRWDZBQOSA-N 1 0 355.457 2.843 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC1(C2CC[NH2+]CC2)CC1 ZINC001336762615 1054205389 /nfs/dbraw/zinc/20/53/89/1054205389.db2.gz FWJVEAVDMQEEOW-UHFFFAOYSA-N 1 0 374.554 2.571 20 10 FFCDRO OCC1([C@H]([NH2+]Cc2c(O)cccc2Br)C2CC2)CCOCC1 ZINC001351618234 1054922915 /nfs/dbraw/zinc/92/29/15/1054922915.db2.gz ASEABECGMOTTTP-MRXNPFEDSA-N 1 0 370.287 2.812 20 10 FFCDRO Cc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc1C ZINC001337748706 1054991184 /nfs/dbraw/zinc/99/11/84/1054991184.db2.gz LQRKRGOIPHWFDX-KRWDZBQOSA-N 1 0 360.527 2.788 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000847302359 1055430999 /nfs/dbraw/zinc/43/09/99/1055430999.db2.gz HERMNNNBOPAHBI-AZUAARDMSA-N 1 0 356.514 2.885 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C1(C2CC[NH2+]CC2)CC1 ZINC001357366659 1055879367 /nfs/dbraw/zinc/87/93/67/1055879367.db2.gz HTSRQDUCCROHRD-UHFFFAOYSA-N 1 0 359.539 2.636 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC001200162079 1055908492 /nfs/dbraw/zinc/90/84/92/1055908492.db2.gz ZUQNVQXBCKCOMD-UHFFFAOYSA-N 1 0 364.449 2.589 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC001353176060 1056153237 /nfs/dbraw/zinc/15/32/37/1056153237.db2.gz UVGZRIDKQAHFIJ-HXUWFJFHSA-N 1 0 370.522 2.922 20 10 FFCDRO C[C@H]([NH3+])C1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCOCC1 ZINC001353549838 1056524539 /nfs/dbraw/zinc/52/45/39/1056524539.db2.gz XKBIPOCDBLHFKI-KRWDZBQOSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000849322075 1056826634 /nfs/dbraw/zinc/82/66/34/1056826634.db2.gz NLTSDNPSTAMDHK-YLJYHZDGSA-N 1 0 353.466 2.693 20 10 FFCDRO Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(N3CCOCC3)cc2)c1 ZINC000849350214 1056836145 /nfs/dbraw/zinc/83/61/45/1056836145.db2.gz UYGFBTMDHKSWGY-VXKWHMMOSA-N 1 0 369.484 2.898 20 10 FFCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)cc1C ZINC001499230849 1058270870 /nfs/dbraw/zinc/27/08/70/1058270870.db2.gz KNOVXTYONSJJKV-RBUKOAKNSA-N 1 0 365.477 2.941 20 10 FFCDRO COC(=O)NCc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001200499800 1058380368 /nfs/dbraw/zinc/38/03/68/1058380368.db2.gz IQVCNBGVRONFSO-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCO1 ZINC001445883371 1058452506 /nfs/dbraw/zinc/45/25/06/1058452506.db2.gz MXUSBXXQEUQYIK-FDQGKXFDSA-N 1 0 366.889 2.941 20 10 FFCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000848392895 1059925532 /nfs/dbraw/zinc/92/55/32/1059925532.db2.gz JPYTWIIBSSIAKG-JXFKEZNVSA-N 1 0 366.509 2.710 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)[NH+](C)C)cc1 ZINC001456938854 1060234809 /nfs/dbraw/zinc/23/48/09/1060234809.db2.gz ZTCMINHCWQNNHT-KRWDZBQOSA-N 1 0 357.502 2.806 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(n2)CCCN3)[NH+](C)C)cc1 ZINC001458042481 1060498245 /nfs/dbraw/zinc/49/82/45/1060498245.db2.gz VFGHTDKGUOHBGZ-FQEVSTJZSA-N 1 0 367.497 2.538 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458558835 1060624140 /nfs/dbraw/zinc/62/41/40/1060624140.db2.gz YDFHBOBIBLLOHI-KMDWOBIYSA-N 1 0 361.442 2.948 20 10 FFCDRO CCOCc1cc(C[NH2+]CCc2nnc3n2CCCCC3)ccc1OC ZINC001461032606 1061190928 /nfs/dbraw/zinc/19/09/28/1061190928.db2.gz ZQCOUTZQSZJUHS-UHFFFAOYSA-N 1 0 358.486 2.882 20 10 FFCDRO CC[N@@H+]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@@H]1C ZINC001476768230 1061475612 /nfs/dbraw/zinc/47/56/12/1061475612.db2.gz YTGDAQQALAQJHG-HNNXBMFYSA-N 1 0 364.453 2.954 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@@H+]1C ZINC001476769049 1061475782 /nfs/dbraw/zinc/47/57/82/1061475782.db2.gz YVADZATWEKSPHH-ZIAGYGMSSA-N 1 0 350.426 2.610 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000765844674 1061598589 /nfs/dbraw/zinc/59/85/89/1061598589.db2.gz HSCPUWHRIKXQHB-FOIQADDNSA-N 1 0 371.437 2.816 20 10 FFCDRO COc1cc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC001462551067 1061666947 /nfs/dbraw/zinc/66/69/47/1061666947.db2.gz ZFHLRMOLUSAEJI-INIZCTEOSA-N 1 0 352.450 2.734 20 10 FFCDRO CC(C)Cn1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001463283008 1062031657 /nfs/dbraw/zinc/03/16/57/1062031657.db2.gz QDIXJEGIESECOA-LJQANCHMSA-N 1 0 357.502 2.638 20 10 FFCDRO Cc1cc(CC(=O)NCCC[N@@H+](C)CCN(C)C)c(C)n1-c1ccccc1 ZINC001468699780 1064024538 /nfs/dbraw/zinc/02/45/38/1064024538.db2.gz ZPKPYJIJKGBRJA-UHFFFAOYSA-N 1 0 370.541 2.636 20 10 FFCDRO CC[C@H](C)[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC001470242369 1064286310 /nfs/dbraw/zinc/28/63/10/1064286310.db2.gz BIYFNKQDNLOLQY-IPELMVKDSA-N 1 0 364.534 2.716 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC001470555539 1064363102 /nfs/dbraw/zinc/36/31/02/1064363102.db2.gz GMSINZKWGXBFMG-SFHVURJKSA-N 1 0 360.546 2.975 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)c1O ZINC001473875639 1065400289 /nfs/dbraw/zinc/40/02/89/1065400289.db2.gz TYAPKLWBBXLUEH-UHFFFAOYSA-N 1 0 364.461 2.547 20 10 FFCDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473957669 1065427398 /nfs/dbraw/zinc/42/73/98/1065427398.db2.gz LKQPPCDHUAZHLV-ROUUACIJSA-N 1 0 362.537 2.788 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2cc(C(C)C)ccc2O)(N2CCOCC2)C1 ZINC001474478540 1065533474 /nfs/dbraw/zinc/53/34/74/1065533474.db2.gz ILALBEKBJBJOIN-UHFFFAOYSA-N 1 0 362.514 2.875 20 10 FFCDRO COC(=O)c1c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c2cc(F)ccc2n1C ZINC001474670766 1065575688 /nfs/dbraw/zinc/57/56/88/1065575688.db2.gz JSGURVNBJKRHLH-GOSISDBHSA-N 1 0 361.461 2.876 20 10 FFCDRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001579315304 1078617137 /nfs/dbraw/zinc/61/71/37/1078617137.db2.gz CFWPKBLORJSIIH-OTWHNJEPSA-N 1 0 353.466 2.681 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)n1-c1cccc(C)c1 ZINC001557883309 1075905953 /nfs/dbraw/zinc/90/59/53/1075905953.db2.gz PALKCYMXVZUSED-SFHVURJKSA-N 1 0 369.509 2.978 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3oc(=O)n(C)c3c2)cc1 ZINC001559967142 1076208877 /nfs/dbraw/zinc/20/88/77/1076208877.db2.gz UOHGTJPUBVQAHF-UHFFFAOYSA-N 1 0 355.438 2.708 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC001560282618 1076260080 /nfs/dbraw/zinc/26/00/80/1076260080.db2.gz WVYGJXSWSIBARN-UHFFFAOYSA-N 1 0 358.417 2.776 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001560302524 1076261556 /nfs/dbraw/zinc/26/15/56/1076261556.db2.gz BQILTDQRVSGSSV-LJQANCHMSA-N 1 0 356.514 2.519 20 10 FFCDRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(Cl)cc1O ZINC001560860005 1076304915 /nfs/dbraw/zinc/30/49/15/1076304915.db2.gz YTKKJOZPFPBLSX-UHFFFAOYSA-N 1 0 357.635 2.760 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnc(F)c(F)c2)[NH+](C)C)cc1 ZINC001563384835 1076548843 /nfs/dbraw/zinc/54/88/43/1076548843.db2.gz VFSSSHFUQBHGDD-INIZCTEOSA-N 1 0 363.412 2.850 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C2CC2)cc1C ZINC001566724478 1076978102 /nfs/dbraw/zinc/97/81/02/1076978102.db2.gz JJOAEIAVXOPADS-XSYGEPLQSA-N 1 0 358.482 2.556 20 10 FFCDRO CC[N@H+](C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000068420331 507223844 /nfs/dbraw/zinc/22/38/44/507223844.db2.gz JLOPHVFDWOSCIK-OAQYLSRUSA-N 1 0 367.493 2.832 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3occc3C)CC2)cc1 ZINC000028064923 507706494 /nfs/dbraw/zinc/70/64/94/507706494.db2.gz ZBFZZYFESFOTKM-UHFFFAOYSA-N 1 0 357.454 2.539 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072540709 507804625 /nfs/dbraw/zinc/80/46/25/507804625.db2.gz VFYSCGWGQQJDRD-UHFFFAOYSA-N 1 0 373.497 2.513 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000367163610 512365667 /nfs/dbraw/zinc/36/56/67/512365667.db2.gz LARMIHRXCVNMAH-OAQYLSRUSA-N 1 0 357.450 2.936 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116566 507910072 /nfs/dbraw/zinc/91/00/72/507910072.db2.gz XPGNFRSXUAJAFG-MAUKXSAKSA-N 1 0 355.486 2.722 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000090171204 507913750 /nfs/dbraw/zinc/91/37/50/507913750.db2.gz QLISZYJPSXPWDR-ROUUACIJSA-N 1 0 355.486 2.641 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1O ZINC000074168738 507994546 /nfs/dbraw/zinc/99/45/46/507994546.db2.gz JSISIHKNBOUJGR-HNNXBMFYSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1cccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1O ZINC000093359085 508142548 /nfs/dbraw/zinc/14/25/48/508142548.db2.gz BKODKTKEPABKKE-UHFFFAOYSA-N 1 0 367.449 2.640 20 10 FFCDRO COc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1O ZINC000105650167 508379420 /nfs/dbraw/zinc/37/94/20/508379420.db2.gz MILSDYCWQDAFRB-SFHVURJKSA-N 1 0 354.450 2.929 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccco3)cc2F)CC1 ZINC000106506577 508401178 /nfs/dbraw/zinc/40/11/78/508401178.db2.gz DSQLSBHRMUJTRO-UHFFFAOYSA-N 1 0 360.433 2.560 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)cc1 ZINC000116333027 508500060 /nfs/dbraw/zinc/50/00/60/508500060.db2.gz FSCVXGQMGMAZLS-UHFFFAOYSA-N 1 0 367.493 2.947 20 10 FFCDRO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000132006698 508988435 /nfs/dbraw/zinc/98/84/35/508988435.db2.gz QKQKYZTUXNPBGX-IBGZPJMESA-N 1 0 361.511 2.902 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000191807531 509192171 /nfs/dbraw/zinc/19/21/71/509192171.db2.gz JIJNAIFWPDNQGA-GOSISDBHSA-N 1 0 354.450 2.990 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000179056578 509241934 /nfs/dbraw/zinc/24/19/34/509241934.db2.gz SPXPQTZSJLNSNM-KRWDZBQOSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000186050374 509499507 /nfs/dbraw/zinc/49/95/07/509499507.db2.gz JMGADFDYKRUPIS-SCLBCKFNSA-N 1 0 358.413 2.992 20 10 FFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc4c(cc3O)CCCC4)C2=O)n(C)n1 ZINC000186083404 509514623 /nfs/dbraw/zinc/51/46/23/509514623.db2.gz UIDATNRJIGEQDH-RDTXWAMCSA-N 1 0 368.481 2.769 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1O ZINC000236900751 509531010 /nfs/dbraw/zinc/53/10/10/509531010.db2.gz VXYAPYJIHQYNJK-QGZVFWFLSA-N 1 0 360.454 2.855 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000186141318 509542469 /nfs/dbraw/zinc/54/24/69/509542469.db2.gz JRQNXWRKBYRSPT-CYBMUJFWSA-N 1 0 354.497 2.733 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1 ZINC000179729622 509595658 /nfs/dbraw/zinc/59/56/58/509595658.db2.gz BOQSOCIQMLLRKM-UHFFFAOYSA-N 1 0 355.438 2.955 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000264555448 509597270 /nfs/dbraw/zinc/59/72/70/509597270.db2.gz MMXONMYBALEJPM-TYOLEZHBSA-N 1 0 369.509 2.623 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1F ZINC000166460495 509608601 /nfs/dbraw/zinc/60/86/01/509608601.db2.gz HGVWRMVJZZCIRS-UHFFFAOYSA-N 1 0 355.457 2.829 20 10 FFCDRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000264604570 509618920 /nfs/dbraw/zinc/61/89/20/509618920.db2.gz LEMAZCUAHIJVFM-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000186374991 509678115 /nfs/dbraw/zinc/67/81/15/509678115.db2.gz CJRTUTFOKYELDC-DGCLKSJQSA-N 1 0 372.259 2.727 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000267964423 509690573 /nfs/dbraw/zinc/69/05/73/509690573.db2.gz UDSLCJGKJUTWSX-GOSISDBHSA-N 1 0 367.559 2.635 20 10 FFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000186449475 509714721 /nfs/dbraw/zinc/71/47/21/509714721.db2.gz OGJHGHWFTFLSCR-GDBMZVCRSA-N 1 0 365.449 2.544 20 10 FFCDRO [NH3+]C1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000237942357 509780250 /nfs/dbraw/zinc/78/02/50/509780250.db2.gz QBEVXWJQTXSLJS-CYBMUJFWSA-N 1 0 353.413 2.645 20 10 FFCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000237947717 509782655 /nfs/dbraw/zinc/78/26/55/509782655.db2.gz GDEACJVVTGGDLL-SFHVURJKSA-N 1 0 355.457 2.979 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180393591 509901078 /nfs/dbraw/zinc/90/10/78/509901078.db2.gz KYIUTBHQIGFBPP-OAHLLOKOSA-N 1 0 370.453 2.970 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180393576 509901864 /nfs/dbraw/zinc/90/18/64/509901864.db2.gz KYIUTBHQIGFBPP-HNNXBMFYSA-N 1 0 370.453 2.970 20 10 FFCDRO CN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000177227617 509949099 /nfs/dbraw/zinc/94/90/99/509949099.db2.gz PNGRQIOTHHLNCA-UHFFFAOYSA-N 1 0 357.420 2.726 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000184076294 510119159 /nfs/dbraw/zinc/11/91/59/510119159.db2.gz FWUTYHRKEHWPHX-KRWDZBQOSA-N 1 0 368.525 2.850 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268987735 510176951 /nfs/dbraw/zinc/17/69/51/510176951.db2.gz QNRZRSHMOBABIH-HNAYVOBHSA-N 1 0 367.534 2.750 20 10 FFCDRO C[N@@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CC1 ZINC000180941527 510196823 /nfs/dbraw/zinc/19/68/23/510196823.db2.gz RMFYDPLJMQRQJS-ONNFQVAWSA-N 1 0 367.449 2.892 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000187692755 510389575 /nfs/dbraw/zinc/38/95/75/510389575.db2.gz WPQYLBAINPBYSI-UHFFFAOYSA-N 1 0 364.305 2.768 20 10 FFCDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000269517055 510444821 /nfs/dbraw/zinc/44/48/21/510444821.db2.gz QTZPNQPYRAONDD-OAQYLSRUSA-N 1 0 367.493 2.602 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000184693303 510465819 /nfs/dbraw/zinc/46/58/19/510465819.db2.gz MEYZAJJMXPNHKF-UHFFFAOYSA-N 1 0 354.878 2.598 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000185122945 510697944 /nfs/dbraw/zinc/69/79/44/510697944.db2.gz DGWKKIBRDDXKLV-CHWSQXEVSA-N 1 0 364.467 2.721 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185122892 510698438 /nfs/dbraw/zinc/69/84/38/510698438.db2.gz DGWKKIBRDDXKLV-STQMWFEESA-N 1 0 364.467 2.721 20 10 FFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)CC2 ZINC000185318174 510802772 /nfs/dbraw/zinc/80/27/72/510802772.db2.gz MNQUQRAQRZQHRN-SKDRFNHKSA-N 1 0 351.248 2.720 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000185322129 510804714 /nfs/dbraw/zinc/80/47/14/510804714.db2.gz WPFPCYONZBVAFN-CQSZACIVSA-N 1 0 359.445 2.674 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(N(C)C(C)=O)CC3)cc2)CC1 ZINC000297257402 510876635 /nfs/dbraw/zinc/87/66/35/510876635.db2.gz VSFKGYHMMXFUAZ-UHFFFAOYSA-N 1 0 359.514 2.745 20 10 FFCDRO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000360448626 510909535 /nfs/dbraw/zinc/90/95/35/510909535.db2.gz NUVZXZGLAYFVSF-OAQYLSRUSA-N 1 0 356.441 2.756 20 10 FFCDRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(N3CCCC3)cc2)CCCO1 ZINC000277275102 510958560 /nfs/dbraw/zinc/95/85/60/510958560.db2.gz BRTOOMMJOCAIFV-SFHVURJKSA-N 1 0 374.529 2.587 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277590126 510967591 /nfs/dbraw/zinc/96/75/91/510967591.db2.gz UCNDIYRIPGZOPD-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000278478623 510994368 /nfs/dbraw/zinc/99/43/68/510994368.db2.gz IUDHJVFVMUGWCU-ZDUSSCGKSA-N 1 0 351.428 2.763 20 10 FFCDRO COc1c(O)c(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278539842 510997330 /nfs/dbraw/zinc/99/73/30/510997330.db2.gz WZVXNGLZBMPINX-UHFFFAOYSA-N 1 0 373.409 2.963 20 10 FFCDRO COc1c(O)c(CNc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278878559 511011654 /nfs/dbraw/zinc/01/16/54/511011654.db2.gz NVJSIUKITULDRH-UHFFFAOYSA-N 1 0 361.398 2.862 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278899763 511013207 /nfs/dbraw/zinc/01/32/07/511013207.db2.gz FOSIPLKSOCAYSR-HZPDHXFCSA-N 1 0 358.461 2.772 20 10 FFCDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000286317990 511021986 /nfs/dbraw/zinc/02/19/86/511021986.db2.gz YFSKPGIJZJDOKH-OPGUWZMBSA-N 1 0 356.422 2.539 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000279303523 511038352 /nfs/dbraw/zinc/03/83/52/511038352.db2.gz ZREORUHKNXFDKX-CUWPLCDZSA-N 1 0 373.541 2.991 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726584 511057188 /nfs/dbraw/zinc/05/71/88/511057188.db2.gz OXTAIHLPHVEURG-HUUCEWRRSA-N 1 0 362.861 2.934 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288364906 511072919 /nfs/dbraw/zinc/07/29/19/511072919.db2.gz KVRLOQWKCIJFCA-NRFANRHFSA-N 1 0 352.434 2.836 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1OC ZINC000289222621 511095656 /nfs/dbraw/zinc/09/56/56/511095656.db2.gz ADAAZIGZLZJPAJ-AWEZNQCLSA-N 1 0 374.437 2.510 20 10 FFCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271149158 511098192 /nfs/dbraw/zinc/09/81/92/511098192.db2.gz ABVCIJSIEDASFD-UHFFFAOYSA-N 1 0 360.479 2.573 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]1SC ZINC000298596185 511341674 /nfs/dbraw/zinc/34/16/74/511341674.db2.gz YSUQOUVHJZDCBO-VAMGGRTRSA-N 1 0 364.555 2.894 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000280298464 511412473 /nfs/dbraw/zinc/41/24/73/511412473.db2.gz NWGNHEVZQOOKOT-UHFFFAOYSA-N 1 0 364.433 2.686 20 10 FFCDRO COc1cccc(CNC(=O)NCc2cc(C)nc(N3CCCC3)c2)c1O ZINC000291986432 511418929 /nfs/dbraw/zinc/41/89/29/511418929.db2.gz VJLURPIOGMOLKO-UHFFFAOYSA-N 1 0 370.453 2.704 20 10 FFCDRO C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370222 511523703 /nfs/dbraw/zinc/52/37/03/511523703.db2.gz CJKOGEWYODRTFD-ZNMIVQPWSA-N 1 0 351.447 2.840 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446698 511526475 /nfs/dbraw/zinc/52/64/75/511526475.db2.gz NXIYVQLHPNALDG-KDOFPFPSSA-N 1 0 371.437 2.718 20 10 FFCDRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)ccc1O ZINC000280832690 511621048 /nfs/dbraw/zinc/62/10/48/511621048.db2.gz LDPOLFPVHZUICW-SNVBAGLBSA-N 1 0 351.191 2.577 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000296162957 511640450 /nfs/dbraw/zinc/64/04/50/511640450.db2.gz YWMXSJYFKOZQJW-UWJYYQICSA-N 1 0 360.498 2.682 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296428872 511738703 /nfs/dbraw/zinc/73/87/03/511738703.db2.gz NKOVMKQDYODMHS-UHFFFAOYSA-N 1 0 354.498 2.879 20 10 FFCDRO CN1c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2CCC1=O ZINC000274763992 511934442 /nfs/dbraw/zinc/93/44/42/511934442.db2.gz HHADTCIJNZDUQE-UHFFFAOYSA-N 1 0 365.477 2.722 20 10 FFCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297120867 512027721 /nfs/dbraw/zinc/02/77/21/512027721.db2.gz YNEPZUWGTCYHMZ-QZTJIDSGSA-N 1 0 351.450 2.941 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC3CC[NH+](C4CCC4)CC3)ccc21 ZINC000297183262 512051379 /nfs/dbraw/zinc/05/13/79/512051379.db2.gz WHUCYHWVBCESPF-UHFFFAOYSA-N 1 0 356.514 2.885 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1O ZINC000374160533 512684463 /nfs/dbraw/zinc/68/44/63/512684463.db2.gz SGLGROWVALEONH-SQNIBIBYSA-N 1 0 352.434 2.647 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1O ZINC000378407547 512743943 /nfs/dbraw/zinc/74/39/43/512743943.db2.gz XSRJHQBGHXTAGJ-ZDUSSCGKSA-N 1 0 372.259 2.939 20 10 FFCDRO CC(C)n1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000367968721 512745599 /nfs/dbraw/zinc/74/55/99/512745599.db2.gz RSDLUTHWTVNVJT-INIZCTEOSA-N 1 0 363.893 2.972 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000374546372 512884452 /nfs/dbraw/zinc/88/44/52/512884452.db2.gz UGMIWZUYQDQBAY-GFCCVEGCSA-N 1 0 352.232 2.534 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1OC ZINC000368358155 512912930 /nfs/dbraw/zinc/91/29/30/512912930.db2.gz QYWJYRVOECPYPP-HNNXBMFYSA-N 1 0 362.426 2.805 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000370777714 513096376 /nfs/dbraw/zinc/09/63/76/513096376.db2.gz APEMYSRZEMUDAZ-UONOGXRCSA-N 1 0 367.440 2.891 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCOCC2)C1 ZINC000435496809 513604580 /nfs/dbraw/zinc/60/45/80/513604580.db2.gz UTASAQNCTKDMKG-UHFFFAOYSA-N 1 0 355.482 2.703 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COCC2(C)C)C1 ZINC000456532748 515239907 /nfs/dbraw/zinc/23/99/07/515239907.db2.gz FHCVERUUCHEDFJ-HXUWFJFHSA-N 1 0 369.509 2.949 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCC23CC3)C1 ZINC000554974296 516728967 /nfs/dbraw/zinc/72/89/67/516728967.db2.gz LEFGUZQQGCHGSA-UHFFFAOYSA-N 1 0 367.493 2.799 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[NH2+]CCC3(F)F)ccc21 ZINC000573013969 518465707 /nfs/dbraw/zinc/46/57/07/518465707.db2.gz OSDXDFATOHXQIU-KRWDZBQOSA-N 1 0 365.424 2.632 20 10 FFCDRO CC[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC000570490639 518631727 /nfs/dbraw/zinc/63/17/27/518631727.db2.gz IIOCTMFANOHJFD-INIZCTEOSA-N 1 0 357.498 2.949 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)ccc21 ZINC000621700476 523027469 /nfs/dbraw/zinc/02/74/69/523027469.db2.gz PMJUGOHXOOKLLP-LAUBAEHRSA-N 1 0 355.482 2.858 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820433003 599392771 /nfs/dbraw/zinc/39/27/71/599392771.db2.gz UYNHWIKPJDBQAD-HNNXBMFYSA-N 1 0 364.453 2.554 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825966320 607482448 /nfs/dbraw/zinc/48/24/48/607482448.db2.gz XXAFMOQJPNYVEF-UHFFFAOYSA-N 1 0 363.469 2.884 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825322675 607636598 /nfs/dbraw/zinc/63/65/98/607636598.db2.gz IMVOLFQLNFJAIH-UHFFFAOYSA-N 1 0 353.426 2.993 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826263733 608054774 /nfs/dbraw/zinc/05/47/74/608054774.db2.gz OHFUDFARJPPCJZ-GOSISDBHSA-N 1 0 365.437 2.763 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1O ZINC000824010358 608533043 /nfs/dbraw/zinc/53/30/43/608533043.db2.gz KGLUEGWIKQSGEZ-UHFFFAOYSA-N 1 0 367.384 2.693 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000154575834 728807292 /nfs/dbraw/zinc/80/72/92/728807292.db2.gz OIUHEAWZHDEONY-CQSZACIVSA-N 1 0 354.545 2.895 20 10 FFCDRO Cn1cc([C@]2(C[NH2+]Cc3c(O)cccc3Br)CCCO2)cn1 ZINC000898051295 735307392 /nfs/dbraw/zinc/30/73/92/735307392.db2.gz BGOZWFKQFHLDRP-MRXNPFEDSA-N 1 0 366.259 2.684 20 10 FFCDRO CS[C@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899097781 735447009 /nfs/dbraw/zinc/44/70/09/735447009.db2.gz GRGUPPIXHBOMQG-DLBZAZTESA-N 1 0 350.532 2.502 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2nccs2)[NH+](C)C)cc1 ZINC000899103314 735448066 /nfs/dbraw/zinc/44/80/66/735448066.db2.gz YWVSCNYTJPZHKK-MRXNPFEDSA-N 1 0 361.515 2.653 20 10 FFCDRO COC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000090653173 728451918 /nfs/dbraw/zinc/45/19/18/728451918.db2.gz IVFDMBYHAAZGEU-HNNXBMFYSA-N 1 0 352.450 2.509 20 10 FFCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585548 728468999 /nfs/dbraw/zinc/46/89/99/728468999.db2.gz UMCHIJHCZOAMRS-CYBMUJFWSA-N 1 0 364.467 2.631 20 10 FFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1CC(F)F ZINC000093767110 728477637 /nfs/dbraw/zinc/47/76/37/728477637.db2.gz QQOSOPBEONOYNT-KRWDZBQOSA-N 1 0 353.457 2.685 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000121323065 728624502 /nfs/dbraw/zinc/62/45/02/728624502.db2.gz OMPOKKZZRYSJJZ-RUZDIDTESA-N 1 0 358.507 2.893 20 10 FFCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000127187371 728705733 /nfs/dbraw/zinc/70/57/33/728705733.db2.gz JQRWOHAWSAXWDZ-KGLIPLIRSA-N 1 0 374.934 2.650 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000129947080 728714192 /nfs/dbraw/zinc/71/41/92/728714192.db2.gz VLUWZKARKKRNHC-INIZCTEOSA-N 1 0 350.482 2.765 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)COc2ccccc2Br)c1 ZINC000131039597 728721312 /nfs/dbraw/zinc/72/13/12/728721312.db2.gz GWEPGEUQJRMJMG-AWEZNQCLSA-N 1 0 366.255 2.993 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177852293 729148245 /nfs/dbraw/zinc/14/82/45/729148245.db2.gz DHSGLINCCCQOIF-CQSZACIVSA-N 1 0 354.545 2.895 20 10 FFCDRO COc1cc(Br)cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC000245553506 729571448 /nfs/dbraw/zinc/57/14/48/729571448.db2.gz FPWXPQQXJLSADT-AWEZNQCLSA-N 1 0 355.276 2.833 20 10 FFCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)s1 ZINC000779060346 738432840 /nfs/dbraw/zinc/43/28/40/738432840.db2.gz LCOXBDNJKPFJTP-UHFFFAOYSA-N 1 0 372.487 2.913 20 10 FFCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnnn1C ZINC000924909082 738461285 /nfs/dbraw/zinc/46/12/85/738461285.db2.gz ZOFVLKVGUDNDEO-LBPRGKRZSA-N 1 0 351.401 2.736 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000856592553 730346748 /nfs/dbraw/zinc/34/67/48/730346748.db2.gz KBVSGXKJOIIIGZ-QGZVFWFLSA-N 1 0 351.834 2.561 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000856596201 730346909 /nfs/dbraw/zinc/34/69/09/730346909.db2.gz AFDXMOSCEBFVSX-SFHVURJKSA-N 1 0 365.861 2.869 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858137956 730417509 /nfs/dbraw/zinc/41/75/09/730417509.db2.gz JGLFOEVPARRPJF-VXGBXAGGSA-N 1 0 355.276 2.891 20 10 FFCDRO CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434656 730425674 /nfs/dbraw/zinc/42/56/74/730425674.db2.gz MIMXYIRFNQSCJF-CHWSQXEVSA-N 1 0 354.248 2.663 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603951 730429737 /nfs/dbraw/zinc/42/97/37/730429737.db2.gz YIJCFMPQAJOFBO-QMTHXVAHSA-N 1 0 353.260 2.959 20 10 FFCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779641619 738473915 /nfs/dbraw/zinc/47/39/15/738473915.db2.gz HTHOHOZKFREDGC-PKOBYXMFSA-N 1 0 350.528 2.980 20 10 FFCDRO O=C(NC1CC[NH+](Cc2c(O)cccc2Br)CC1)C1CC1 ZINC000862215572 730676915 /nfs/dbraw/zinc/67/69/15/730676915.db2.gz LKWMJKPBBVRXSA-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO COC(=O)CC[N@H+](Cc1c(O)cccc1Br)C1CCOCC1 ZINC000862249231 730681658 /nfs/dbraw/zinc/68/16/58/730681658.db2.gz IQLXTFRVFBEWFH-UHFFFAOYSA-N 1 0 372.259 2.699 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1c(O)cccc1Br ZINC000862252508 730682264 /nfs/dbraw/zinc/68/22/64/730682264.db2.gz DAQVQXYQHQWNRR-ISTRZQFTSA-N 1 0 369.303 2.838 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc21 ZINC000655517476 731466620 /nfs/dbraw/zinc/46/66/20/731466620.db2.gz COZQSGSUMKFTRQ-OAHLLOKOSA-N 1 0 357.376 2.524 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000925851260 738536932 /nfs/dbraw/zinc/53/69/32/738536932.db2.gz RCLKVERNOFYSCN-DOMZBBRYSA-N 1 0 352.862 2.772 20 10 FFCDRO FC(F)(F)c1ccn(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000873158553 731881889 /nfs/dbraw/zinc/88/18/89/731881889.db2.gz YZQQEYHYGCJREQ-UHFFFAOYSA-N 1 0 354.376 2.528 20 10 FFCDRO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000876717558 732272008 /nfs/dbraw/zinc/27/20/08/732272008.db2.gz DGBXDPAERBWRTG-IAGOWNOFSA-N 1 0 358.404 2.535 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)[nH]c1C ZINC000876942672 732300396 /nfs/dbraw/zinc/30/03/96/732300396.db2.gz ASIZTKQHCZJPAG-UHFFFAOYSA-N 1 0 359.495 2.953 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)[nH]1 ZINC000877520713 732379245 /nfs/dbraw/zinc/37/92/45/732379245.db2.gz GCRBLLHSTQZWJA-UHFFFAOYSA-N 1 0 353.216 2.949 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000877674844 732409976 /nfs/dbraw/zinc/40/99/76/732409976.db2.gz NLPPMFFNIZWORH-LLVKDONJSA-N 1 0 365.153 2.639 20 10 FFCDRO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1ccc(Br)cc1O ZINC000877766931 732426323 /nfs/dbraw/zinc/42/63/23/732426323.db2.gz PUKUXQBWWLGREM-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCOC(F)(F)C(F)(F)F)cc2)CC1 ZINC000877806669 732437281 /nfs/dbraw/zinc/43/72/81/732437281.db2.gz LKZCRAZNCWBIEG-UHFFFAOYSA-N 1 0 368.346 2.909 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Br)cc1O ZINC000926953960 738672689 /nfs/dbraw/zinc/67/26/89/738672689.db2.gz RIYPOXCRGJMAOC-JTQLQIEISA-N 1 0 364.305 2.876 20 10 FFCDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Br)cc1O ZINC000927038856 738684730 /nfs/dbraw/zinc/68/47/30/738684730.db2.gz GZTQBHSBPPOTSS-NSNUZPRRSA-N 1 0 374.300 2.914 20 10 FFCDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3c(O)cccc3Br)O2)CO1 ZINC000886329295 733774262 /nfs/dbraw/zinc/77/42/62/733774262.db2.gz CBAOOPRWDYXLLL-WQGACYEGSA-N 1 0 356.260 2.971 20 10 FFCDRO C[C@@H]1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000700733648 734354791 /nfs/dbraw/zinc/35/47/91/734354791.db2.gz DNTLDTRAJFROCC-YPMHNXCESA-N 1 0 350.415 2.608 20 10 FFCDRO Cc1ncsc1/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242314 734403535 /nfs/dbraw/zinc/40/35/35/734403535.db2.gz DXOBYMMFKUJEGN-DVQDXYAYSA-N 1 0 358.511 2.950 20 10 FFCDRO COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1OC ZINC000892029237 734508552 /nfs/dbraw/zinc/50/85/52/734508552.db2.gz VPSNDAZBKJFLSL-LBPRGKRZSA-N 1 0 354.447 2.754 20 10 FFCDRO CC[C@@H](C)NC(=S)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730156793 734618709 /nfs/dbraw/zinc/61/87/09/734618709.db2.gz NBQKTLLLNAYQRR-CQSZACIVSA-N 1 0 352.523 2.730 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c(O)c1OC ZINC000893188301 734665233 /nfs/dbraw/zinc/66/52/33/734665233.db2.gz DMKXTAFPSJAMIR-GFCCVEGCSA-N 1 0 354.447 2.660 20 10 FFCDRO COc1ccc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c1OC ZINC000893641298 734731109 /nfs/dbraw/zinc/73/11/09/734731109.db2.gz TZGDWSJSRAXJIC-MRXNPFEDSA-N 1 0 363.376 2.935 20 10 FFCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000733330895 734809376 /nfs/dbraw/zinc/80/93/76/734809376.db2.gz RUACBQKNZOCSDD-UHFFFAOYSA-N 1 0 364.536 2.835 20 10 FFCDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)O1 ZINC000895568432 735024822 /nfs/dbraw/zinc/02/48/22/735024822.db2.gz UWOLDAXEXHEIST-VXGBXAGGSA-N 1 0 364.467 2.542 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000895923779 735074197 /nfs/dbraw/zinc/07/41/97/735074197.db2.gz XZTKCEMFRLOMBM-GOEBONIOSA-N 1 0 354.445 2.700 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1O ZINC000896256809 735126843 /nfs/dbraw/zinc/12/68/43/735126843.db2.gz XZLKPOXDTRPMPS-UHFFFAOYSA-N 1 0 361.891 2.747 20 10 FFCDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)COC(=O)N1 ZINC000896395421 735152790 /nfs/dbraw/zinc/15/27/90/735152790.db2.gz IRXFJTCPLAPVIT-WBMJQRKESA-N 1 0 369.259 2.865 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896568465 735175051 /nfs/dbraw/zinc/17/50/51/735175051.db2.gz NFWWOTCEILSYGP-DOTOQJQBSA-N 1 0 360.527 2.520 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC(N3CCCOC3=O)CC2)c1O ZINC000897591158 735252683 /nfs/dbraw/zinc/25/26/83/735252683.db2.gz AJIBEMJCENUHES-UHFFFAOYSA-N 1 0 354.834 2.861 20 10 FFCDRO CN(Cc1cc(Br)nn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000787271541 739121923 /nfs/dbraw/zinc/12/19/23/739121923.db2.gz MAECYOTUXMROPF-UHFFFAOYSA-N 1 0 367.291 2.759 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1c1cccc(Cl)c1 ZINC000749926548 735760316 /nfs/dbraw/zinc/76/03/16/735760316.db2.gz MTAJCXFRKLLHCK-CQSZACIVSA-N 1 0 360.797 2.669 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CC2(O)CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000903373382 736084788 /nfs/dbraw/zinc/08/47/88/736084788.db2.gz VEWHRGKFYRNXCY-GXTWGEPZSA-N 1 0 351.418 2.717 20 10 FFCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1=O ZINC000903390045 736086140 /nfs/dbraw/zinc/08/61/40/736086140.db2.gz XXISSJLDFBHNQX-MFKMUULPSA-N 1 0 371.275 2.825 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000756445788 736331986 /nfs/dbraw/zinc/33/19/86/736331986.db2.gz PRHULQDAPSLFNV-CYBMUJFWSA-N 1 0 368.886 2.816 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc2ccccc2c1O ZINC000756482829 736335333 /nfs/dbraw/zinc/33/53/33/736335333.db2.gz JBOGVMOBACUWNF-ZDUSSCGKSA-N 1 0 350.484 2.914 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Br)ccc1O ZINC000756733110 736356724 /nfs/dbraw/zinc/35/67/24/736356724.db2.gz OQNLYBUUBUJVEX-JCRCQARHSA-N 1 0 353.260 2.815 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Br)cc1O ZINC000757654706 736416452 /nfs/dbraw/zinc/41/64/52/736416452.db2.gz NHSQYGJYVOQPGM-PWSUYJOCSA-N 1 0 362.289 2.773 20 10 FFCDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccc(N2CCOCC2)cc1Cl ZINC000757698798 736420398 /nfs/dbraw/zinc/42/03/98/736420398.db2.gz RRZZJCIZTMMXQI-ZDUSSCGKSA-N 1 0 354.878 2.979 20 10 FFCDRO CCN(CC)c1ccc(CNC(=S)NCC2CC[NH+](C)CC2)cc1F ZINC000760487962 736643538 /nfs/dbraw/zinc/64/35/38/736643538.db2.gz UTQCBHYJNKMQJG-UHFFFAOYSA-N 1 0 366.550 2.978 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1 ZINC000763327254 736927904 /nfs/dbraw/zinc/92/79/04/736927904.db2.gz MXMJTTRRRGIWDZ-UHFFFAOYSA-N 1 0 360.479 2.791 20 10 FFCDRO CC[N@H+](CCO)CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000769638331 737548645 /nfs/dbraw/zinc/54/86/45/737548645.db2.gz GCCUWPACFDVBGL-UHFFFAOYSA-N 1 0 363.889 2.792 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000773075670 737868899 /nfs/dbraw/zinc/86/88/99/737868899.db2.gz YVBKLDQHQACNGH-QMTMVMCOSA-N 1 0 367.921 2.546 20 10 FFCDRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775369153 738087831 /nfs/dbraw/zinc/08/78/31/738087831.db2.gz LFECSSQFVIGSIF-ZDUSSCGKSA-N 1 0 365.451 2.534 20 10 FFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000775619461 738106982 /nfs/dbraw/zinc/10/69/82/738106982.db2.gz PYPDVNGWJZJMCA-ZDUSSCGKSA-N 1 0 353.894 2.599 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2)cc1 ZINC000922238063 738110638 /nfs/dbraw/zinc/11/06/38/738110638.db2.gz PVTBNAYSLQKDMF-LLVKDONJSA-N 1 0 351.248 2.549 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775833737 738129988 /nfs/dbraw/zinc/12/99/88/738129988.db2.gz LBCLLDJLFNOCDM-AUUYWEPGSA-N 1 0 362.495 2.540 20 10 FFCDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000817981610 742226521 /nfs/dbraw/zinc/22/65/21/742226521.db2.gz UAXNKTQMDQREJT-WBMJQRKESA-N 1 0 359.848 2.824 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922802503 738202922 /nfs/dbraw/zinc/20/29/22/738202922.db2.gz MPITUIARYOKFOC-UHFFFAOYSA-N 1 0 352.232 2.639 20 10 FFCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007353 738252904 /nfs/dbraw/zinc/25/29/04/738252904.db2.gz LWPSGXUKSKEQFC-IAQYHMDHSA-N 1 0 350.356 2.890 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1O ZINC000786947063 739091823 /nfs/dbraw/zinc/09/18/23/739091823.db2.gz XUZGVMMKQDWBLL-JTQLQIEISA-N 1 0 362.289 2.548 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2ccc(C)cc2O)CC1 ZINC000794798520 739931665 /nfs/dbraw/zinc/93/16/65/739931665.db2.gz VKOZCGWRDJMJJR-QGZVFWFLSA-N 1 0 354.516 2.946 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000797112439 740213318 /nfs/dbraw/zinc/21/33/18/740213318.db2.gz QBKOIQGKCGHHGL-IINYFYTJSA-N 1 0 352.784 2.959 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[NH+](C)C)cc2Cl)C1 ZINC000800718533 740544379 /nfs/dbraw/zinc/54/43/79/740544379.db2.gz AMLQCRDFLOLVEG-CQSZACIVSA-N 1 0 352.910 2.937 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000800899342 740562405 /nfs/dbraw/zinc/56/24/05/740562405.db2.gz KVNBXLGECHLZQF-MRXNPFEDSA-N 1 0 360.841 2.815 20 10 FFCDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139071 741042921 /nfs/dbraw/zinc/04/29/21/741042921.db2.gz IDSXGRDFSCBHPI-ZWKOTPCHSA-N 1 0 350.528 2.836 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc(Br)ccc1O ZINC000806954934 741098176 /nfs/dbraw/zinc/09/81/76/741098176.db2.gz IRKBEFFXEWJJHV-AWEZNQCLSA-N 1 0 370.291 2.828 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1O ZINC000808421974 741224211 /nfs/dbraw/zinc/22/42/11/741224211.db2.gz HPQYIRDKEVDLJQ-CYBMUJFWSA-N 1 0 360.376 2.824 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000808706701 741254456 /nfs/dbraw/zinc/25/44/56/741254456.db2.gz RLUVYAXCKWVQLW-SWLSCSKDSA-N 1 0 362.861 2.934 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c1O ZINC000809711211 741335533 /nfs/dbraw/zinc/33/55/33/741335533.db2.gz OFNGKSHUSZMHPR-ZDUSSCGKSA-N 1 0 352.784 2.707 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000809743004 741338945 /nfs/dbraw/zinc/33/89/45/741338945.db2.gz IFXBLUKZOKBAHV-HNNXBMFYSA-N 1 0 361.364 2.988 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000809751310 741339997 /nfs/dbraw/zinc/33/99/97/741339997.db2.gz QNCDSMNWVFRCLY-JTQLQIEISA-N 1 0 358.154 2.518 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000809777593 741342742 /nfs/dbraw/zinc/34/27/42/741342742.db2.gz BYSHGQRMXNQLEF-AWEZNQCLSA-N 1 0 351.244 2.724 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809785493 741343420 /nfs/dbraw/zinc/34/34/20/741343420.db2.gz XEKAFQKKBDFYDB-ZDUSSCGKSA-N 1 0 372.918 2.648 20 10 FFCDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000810050715 741377309 /nfs/dbraw/zinc/37/73/09/741377309.db2.gz MDDNCUQUTRSNIJ-UHFFFAOYSA-N 1 0 354.516 2.808 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2cccc(Br)c2O)C1 ZINC000811459491 741525670 /nfs/dbraw/zinc/52/56/70/741525670.db2.gz FWONIKLXNTYKAM-MRXNPFEDSA-N 1 0 373.266 2.983 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811514723 741532633 /nfs/dbraw/zinc/53/26/33/741532633.db2.gz PIFALGIYKKFECE-LBPRGKRZSA-N 1 0 360.376 2.681 20 10 FFCDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1N(C)C ZINC000815068411 741894564 /nfs/dbraw/zinc/89/45/64/741894564.db2.gz PBIOLBWXZGDYDM-HNNXBMFYSA-N 1 0 361.511 2.901 20 10 FFCDRO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000816610569 742047039 /nfs/dbraw/zinc/04/70/39/742047039.db2.gz PLGYVVHFXPAEFE-OAHLLOKOSA-N 1 0 355.885 2.785 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@H]1n1cccn1 ZINC000816672287 742052663 /nfs/dbraw/zinc/05/26/63/742052663.db2.gz VOYWQKTYKWVATG-SQWLQELKSA-N 1 0 351.834 2.759 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000817938883 742223295 /nfs/dbraw/zinc/22/32/95/742223295.db2.gz VAEJEZAEZKFAMZ-LIRRHRJNSA-N 1 0 361.511 2.507 20 10 FFCDRO CC(C)n1cncc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000818215192 742250721 /nfs/dbraw/zinc/25/07/21/742250721.db2.gz BPNMSLMZLWTYOZ-UHFFFAOYSA-N 1 0 350.413 2.869 20 10 FFCDRO CC(C)OC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002446 742323185 /nfs/dbraw/zinc/32/31/85/742323185.db2.gz MJEPEDQZQBLCMP-INIZCTEOSA-N 1 0 358.429 2.632 20 10 FFCDRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819121011 742339934 /nfs/dbraw/zinc/33/99/34/742339934.db2.gz SIEAVUFHZIXFDK-GXFFZTMASA-N 1 0 354.319 2.770 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)cc1F ZINC000822526825 742748680 /nfs/dbraw/zinc/74/86/80/742748680.db2.gz YTIMMXOQSANKIU-IBGZPJMESA-N 1 0 350.478 2.939 20 10 FFCDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823432746 742909456 /nfs/dbraw/zinc/90/94/56/742909456.db2.gz MPVFASLBUVRVGW-KRWDZBQOSA-N 1 0 359.539 2.883 20 10 FFCDRO CCn1nnc(C)c1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823860750 742991395 /nfs/dbraw/zinc/99/13/95/742991395.db2.gz JVACVSJQFJLKBA-INIZCTEOSA-N 1 0 363.893 2.720 20 10 FFCDRO CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(Br)cc1O ZINC000824627675 743118822 /nfs/dbraw/zinc/11/88/22/743118822.db2.gz SAPOUDLCLFOLHQ-CQSZACIVSA-N 1 0 355.276 2.988 20 10 FFCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)cn1 ZINC000824913655 743177394 /nfs/dbraw/zinc/17/73/94/743177394.db2.gz WCFIDZFHTMGJKX-LBPRGKRZSA-N 1 0 350.260 2.953 20 10 FFCDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000825138446 743217055 /nfs/dbraw/zinc/21/70/55/743217055.db2.gz MDIPSQHOXLOJLU-CQSZACIVSA-N 1 0 366.259 2.511 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000825265571 743237815 /nfs/dbraw/zinc/23/78/15/743237815.db2.gz CPEMGHAWEORNQF-MRXNPFEDSA-N 1 0 369.303 2.888 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000825892463 743339603 /nfs/dbraw/zinc/33/96/03/743339603.db2.gz GACCDKWTHBKUOG-AWEZNQCLSA-N 1 0 352.784 2.707 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000826846201 743454424 /nfs/dbraw/zinc/45/44/24/743454424.db2.gz RFZCHVFXSSQCDQ-GFCCVEGCSA-N 1 0 351.248 2.577 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1O ZINC000834851264 745914584 /nfs/dbraw/zinc/91/45/84/745914584.db2.gz WBIKJKSNVZJIMZ-GXTWGEPZSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834913944 745923224 /nfs/dbraw/zinc/92/32/24/745923224.db2.gz JORVFAJHUPEOPA-SUHUHFCYSA-N 1 0 353.260 2.959 20 10 FFCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838944849 746742992 /nfs/dbraw/zinc/74/29/92/746742992.db2.gz LFGOZLIEFIOSNM-QGZVFWFLSA-N 1 0 371.319 2.926 20 10 FFCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCOC1 ZINC000838982190 746749722 /nfs/dbraw/zinc/74/97/22/746749722.db2.gz MCOHNQSDFJPZBQ-QGZVFWFLSA-N 1 0 369.303 2.680 20 10 FFCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000839185407 746797724 /nfs/dbraw/zinc/79/77/24/746797724.db2.gz UKNGCICSYGPKGO-CQSZACIVSA-N 1 0 351.830 2.929 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840885626 747212565 /nfs/dbraw/zinc/21/25/65/747212565.db2.gz YMRGBTFONORSAK-UHFFFAOYSA-N 1 0 368.886 2.693 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000840909927 747221665 /nfs/dbraw/zinc/22/16/65/747221665.db2.gz NCEATMHNKBXETO-OAHLLOKOSA-N 1 0 361.511 2.901 20 10 FFCDRO COC(=O)c1ccc(Cl)c(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841040847 747259331 /nfs/dbraw/zinc/25/93/31/747259331.db2.gz AKGQHTFGEPYIBS-GOSISDBHSA-N 1 0 361.873 2.982 20 10 FFCDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707564 747437676 /nfs/dbraw/zinc/43/76/76/747437676.db2.gz VUTMKAWBIUMAGE-MRXNPFEDSA-N 1 0 350.532 2.557 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000841849688 747475816 /nfs/dbraw/zinc/47/58/16/747475816.db2.gz GWKIKEBLPCQEKT-BPUTZDHNSA-N 1 0 356.495 2.516 20 10 FFCDRO Cc1ccc(/C=C\S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842785556 747687202 /nfs/dbraw/zinc/68/72/02/747687202.db2.gz UTAACTCAXLSDQT-SYGIOELKSA-N 1 0 359.495 2.651 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000842885301 747714368 /nfs/dbraw/zinc/71/43/68/747714368.db2.gz ZNFIQAPTAGOOGH-YOEHRIQHSA-N 1 0 360.479 2.638 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(=O)NCc1cccs1 ZINC000843427571 747834524 /nfs/dbraw/zinc/83/45/24/747834524.db2.gz HHRSJCWXHDZJKG-CQSZACIVSA-N 1 0 364.467 2.656 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cs2)cc1 ZINC000844174450 747983688 /nfs/dbraw/zinc/98/36/88/747983688.db2.gz DAXGSMXPGQPJAT-WBVHZDCISA-N 1 0 356.495 2.673 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2F)C[C@H](C)O1 ZINC000844173495 747983833 /nfs/dbraw/zinc/98/38/33/747983833.db2.gz GATQFPVAURYVMM-OKILXGFUSA-N 1 0 351.466 2.573 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cs2)cc1 ZINC000844174447 747983851 /nfs/dbraw/zinc/98/38/51/747983851.db2.gz DAXGSMXPGQPJAT-DOTOQJQBSA-N 1 0 356.495 2.673 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1O ZINC000844335878 748008017 /nfs/dbraw/zinc/00/80/17/748008017.db2.gz UKNGITLBQSQCMH-UHFFFAOYSA-N 1 0 366.889 2.575 20 10 FFCDRO Cc1cc(Br)cc(CNc2cnn(CC[NH+](C)C)c2)c1O ZINC000846072121 748396467 /nfs/dbraw/zinc/39/64/67/748396467.db2.gz KPZDYLHVWBXTHB-UHFFFAOYSA-N 1 0 353.264 2.833 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000846146446 748415158 /nfs/dbraw/zinc/41/51/58/748415158.db2.gz RSOBSRWDWQGCRJ-LBPRGKRZSA-N 1 0 350.440 2.623 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2scnc2C(F)(F)F)cc1 ZINC000848392835 748917597 /nfs/dbraw/zinc/91/75/97/748917597.db2.gz HWPFPDIHONTENC-NSHDSACASA-N 1 0 358.389 2.658 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848528601 748950756 /nfs/dbraw/zinc/95/07/56/748950756.db2.gz NUBAEMISVUGQAF-WCQYABFASA-N 1 0 373.291 2.535 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848528523 748950910 /nfs/dbraw/zinc/95/09/10/748950910.db2.gz NUBAEMISVUGQAF-AAEUAGOBSA-N 1 0 373.291 2.535 20 10 FFCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848555641 748959618 /nfs/dbraw/zinc/95/96/18/748959618.db2.gz CEDIAHPTDDJULJ-WDEREUQCSA-N 1 0 371.275 2.682 20 10 FFCDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c1O ZINC000848893995 749030375 /nfs/dbraw/zinc/03/03/75/749030375.db2.gz DOPDZICKHBZGFO-UHFFFAOYSA-N 1 0 368.886 2.676 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000848901808 749031286 /nfs/dbraw/zinc/03/12/86/749031286.db2.gz DCIQRNLRKRCHBF-GOSISDBHSA-N 1 0 366.527 2.781 20 10 FFCDRO COc1cc(C[NH2+]CCN2CCOC(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850119760 749305999 /nfs/dbraw/zinc/30/59/99/749305999.db2.gz RPQSDFNDYGQJSE-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO COc1cc(C[NH2+]CC2(N(C)C)CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850137562 749309453 /nfs/dbraw/zinc/30/94/53/749309453.db2.gz RJHBCZWGFFKNPP-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO COC[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000850345333 749346222 /nfs/dbraw/zinc/34/62/22/749346222.db2.gz UYENXIMNFXYEOV-INIZCTEOSA-N 1 0 351.447 2.726 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C(F)(F)F)nn3C)C2)cc1 ZINC000850346297 749346307 /nfs/dbraw/zinc/34/63/07/749346307.db2.gz DQUVULMVJDSROA-LBPRGKRZSA-N 1 0 354.376 2.816 20 10 FFCDRO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406214 749360766 /nfs/dbraw/zinc/36/07/66/749360766.db2.gz XPWMEJJWWKSNLW-UHFFFAOYSA-N 1 0 362.905 2.887 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1O ZINC000850485122 749371691 /nfs/dbraw/zinc/37/16/91/749371691.db2.gz XOZGGHIKNJBDBI-ZIBATOQPSA-N 1 0 374.275 2.865 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000850554952 749386755 /nfs/dbraw/zinc/38/67/55/749386755.db2.gz FSRFONCZWOVSBM-JTQLQIEISA-N 1 0 362.289 2.773 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073133289 845564573 /nfs/dbraw/zinc/56/45/73/845564573.db2.gz PRYZJCGSTQIRGN-UHFFFAOYSA-N 1 0 361.511 2.996 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1C ZINC000397433952 845867610 /nfs/dbraw/zinc/86/76/10/845867610.db2.gz MGMFXGLQIYOUDZ-INIZCTEOSA-N 1 0 350.459 2.729 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000895682715 970849335 /nfs/dbraw/zinc/84/93/35/970849335.db2.gz WXNJEDLNKPPEKL-JOCHJYFZSA-N 1 0 366.461 2.704 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000840256002 970855245 /nfs/dbraw/zinc/85/52/45/970855245.db2.gz OLUCYTCEMXEVMR-DLBZAZTESA-N 1 0 358.530 2.776 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c(O)c1OC ZINC000896052310 971198477 /nfs/dbraw/zinc/19/84/77/971198477.db2.gz SZIWDTIWRHTJOA-MRXNPFEDSA-N 1 0 365.470 2.865 20 10 FFCDRO Cn1cncc1CN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275840135 1013069403 /nfs/dbraw/zinc/06/94/03/1013069403.db2.gz FRJUORNRJHMZIH-LJQANCHMSA-N 1 0 374.872 2.546 20 10 FFCDRO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275840807 1013069609 /nfs/dbraw/zinc/06/96/09/1013069609.db2.gz SBWQSEJKCITWJW-LJQANCHMSA-N 1 0 366.889 2.753 20 10 FFCDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C)c1O ZINC000826159238 947504031 /nfs/dbraw/zinc/50/40/31/947504031.db2.gz YETPGAPFHZYGOD-UHFFFAOYSA-N 1 0 353.426 2.529 20 10 FFCDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc(O)c1O ZINC000186940185 971404644 /nfs/dbraw/zinc/40/46/44/971404644.db2.gz AZGFNOZWESUJQT-UHFFFAOYSA-N 1 0 358.438 2.748 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)c(O)c1 ZINC000896445248 971494854 /nfs/dbraw/zinc/49/48/54/971494854.db2.gz UBJAVYZWWJBDIL-UHFFFAOYSA-N 1 0 352.434 2.858 20 10 FFCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000092435493 971576636 /nfs/dbraw/zinc/57/66/36/971576636.db2.gz JVNJFIQRKNHHAN-UHFFFAOYSA-N 1 0 356.514 2.913 20 10 FFCDRO Cc1cnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000896677512 971665278 /nfs/dbraw/zinc/66/52/78/971665278.db2.gz SJCORARYYUUETR-HXUWFJFHSA-N 1 0 369.513 2.867 20 10 FFCDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)c(O)c1OC ZINC000893344732 971704743 /nfs/dbraw/zinc/70/47/43/971704743.db2.gz GFCZBAROLSMLTL-UHFFFAOYSA-N 1 0 359.401 2.768 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222354889 971742720 /nfs/dbraw/zinc/74/27/20/971742720.db2.gz OVHLBTKMRRHGHV-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4cscn4)C3)C2=O)cc1 ZINC001275969822 1013243253 /nfs/dbraw/zinc/24/32/53/1013243253.db2.gz MPXWYQUGOKJLTE-FQEVSTJZSA-N 1 0 370.522 2.834 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000891244274 962546342 /nfs/dbraw/zinc/54/63/42/962546342.db2.gz ZDSWCAPYUKKSKE-IEBWSBKVSA-N 1 0 359.514 2.821 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(CO)c(F)c2)cc1Cn1cccn1 ZINC000873021146 1013352733 /nfs/dbraw/zinc/35/27/33/1013352733.db2.gz JFTVECSHIQAYOG-UHFFFAOYSA-N 1 0 355.413 2.861 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC000891247903 962580191 /nfs/dbraw/zinc/58/01/91/962580191.db2.gz ISZMKMUKMZDYNF-NORHQAJESA-N 1 0 369.465 2.596 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2conc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891250559 962592744 /nfs/dbraw/zinc/59/27/44/962592744.db2.gz WXDSLGLRXQFXQG-AWEZNQCLSA-N 1 0 370.375 2.792 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H](O)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000891251976 962597669 /nfs/dbraw/zinc/59/76/69/962597669.db2.gz IUFUNDMGSSYFFS-WOJBJXKFSA-N 1 0 373.472 2.734 20 10 FFCDRO COc1ccc(Cn2cc(CNCc3ccc4c(c3)CCO4)nn2)cc1 ZINC000873035667 1013357717 /nfs/dbraw/zinc/35/77/17/1013357717.db2.gz JIMZRCXFHHSIDS-UHFFFAOYSA-N 1 0 350.422 2.560 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc1Cn1cccn1 ZINC000873115574 1013390878 /nfs/dbraw/zinc/39/08/78/1013390878.db2.gz KOUNOWAJYQIZMK-UHFFFAOYSA-N 1 0 365.437 2.583 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(F)c2[O-])N1Cc1ccncc1 ZINC001276084773 1013430113 /nfs/dbraw/zinc/43/01/13/1013430113.db2.gz AUAYEQUPUNIVOK-QZTJIDSGSA-N 1 0 355.413 2.692 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000588407898 963723885 /nfs/dbraw/zinc/72/38/85/963723885.db2.gz RVOXALPMGABDEM-RQOWECAXSA-N 1 0 353.422 2.539 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1O ZINC000894297910 964317480 /nfs/dbraw/zinc/31/74/80/964317480.db2.gz KEJGLISWTGMXPH-VQTJNVASSA-N 1 0 370.493 2.682 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891526697 964427565 /nfs/dbraw/zinc/42/75/65/964427565.db2.gz ODODXHYQXRYDPP-BEFAXECRSA-N 1 0 355.486 2.811 20 10 FFCDRO COc1ccc(OC)c(CN2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000161045295 964485234 /nfs/dbraw/zinc/48/52/34/964485234.db2.gz JDHNDIICFCXFHY-UHFFFAOYSA-N 1 0 372.465 2.736 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891631143 964656231 /nfs/dbraw/zinc/65/62/31/964656231.db2.gz NWXAUCSNACMZNH-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C[C@H]3CCOC3)cc2)CC1 ZINC000933664925 965048755 /nfs/dbraw/zinc/04/87/55/965048755.db2.gz HWTHZZRARYHETQ-CTNGQTDRSA-N 1 0 374.525 2.929 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)c1O ZINC000894393528 965238710 /nfs/dbraw/zinc/23/87/10/965238710.db2.gz MOCZUNFFLXVCNP-UHFFFAOYSA-N 1 0 356.470 2.875 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c(O)c1OC ZINC000894610094 965506512 /nfs/dbraw/zinc/50/65/12/965506512.db2.gz IVYYBNDXWWRFJU-UHFFFAOYSA-N 1 0 358.438 2.536 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000894784401 965693129 /nfs/dbraw/zinc/69/31/29/965693129.db2.gz JQBDGQZGDDVDBX-OAHLLOKOSA-N 1 0 358.438 2.809 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000780376002 965698202 /nfs/dbraw/zinc/69/82/02/965698202.db2.gz YXMKCUIYQGJRGI-LJQANCHMSA-N 1 0 367.493 2.770 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c1OC ZINC000892005748 965788618 /nfs/dbraw/zinc/78/86/18/965788618.db2.gz XJCVKPVIJSRZJG-CQSZACIVSA-N 1 0 364.486 2.784 20 10 FFCDRO C[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000051476356 966290210 /nfs/dbraw/zinc/29/02/10/966290210.db2.gz JMAXRLWIODZVQY-UHFFFAOYSA-N 1 0 365.481 2.618 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000176673610 966545121 /nfs/dbraw/zinc/54/51/21/966545121.db2.gz DESCGSHHLMKKTN-QGZVFWFLSA-N 1 0 354.450 2.814 20 10 FFCDRO CCc1noc(C)c1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895048484 967218573 /nfs/dbraw/zinc/21/85/73/967218573.db2.gz VNHOVYIEUNNQQD-LJQANCHMSA-N 1 0 373.501 2.714 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cnco3)C[C@H]2C)cc1C ZINC001104466912 967477243 /nfs/dbraw/zinc/47/72/43/967477243.db2.gz SXAWLKDJSIGYOX-NVXWUHKLSA-N 1 0 357.454 2.880 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000007489677 967600692 /nfs/dbraw/zinc/60/06/92/967600692.db2.gz GDLQEBYWLHBCPH-UHFFFAOYSA-N 1 0 370.478 2.779 20 10 FFCDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2O)ccc1C[NH+](C)C ZINC000874191180 1013783717 /nfs/dbraw/zinc/78/37/17/1013783717.db2.gz AMNRAZSMBWBNKU-AWEZNQCLSA-N 1 0 355.438 2.578 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000177808311 969347756 /nfs/dbraw/zinc/34/77/56/969347756.db2.gz SXQDRZXMOQSNIO-DLBZAZTESA-N 1 0 372.513 2.542 20 10 FFCDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)c1 ZINC000892861347 970334831 /nfs/dbraw/zinc/33/48/31/970334831.db2.gz VDIVQSMMMHPURE-OAHLLOKOSA-N 1 0 358.438 2.787 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000892985478 970470674 /nfs/dbraw/zinc/47/06/74/970470674.db2.gz LXGCBDHGWQZEPF-MJGOQNOKSA-N 1 0 369.465 2.545 20 10 FFCDRO CC[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000895420192 970606935 /nfs/dbraw/zinc/60/69/35/970606935.db2.gz UPWJADRVRWCDBW-QXAKKESOSA-N 1 0 362.518 2.612 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c2cc(F)ccc2n1C ZINC000895585183 970761906 /nfs/dbraw/zinc/76/19/06/970761906.db2.gz JQWPRNZEGDOCHL-AWEZNQCLSA-N 1 0 374.412 2.638 20 10 FFCDRO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1Cc2cccc(O)c2C1 ZINC000875730773 1014068795 /nfs/dbraw/zinc/06/87/95/1014068795.db2.gz HGBPHXOLKMMMKQ-UHFFFAOYSA-N 1 0 366.465 2.725 20 10 FFCDRO COc1cc(N2CCN(CCC(=O)CC(C)C)CC2)cc(OC)c1OC ZINC000828263609 974102880 /nfs/dbraw/zinc/10/28/80/974102880.db2.gz YLCUEKSDMZGFIA-UHFFFAOYSA-N 1 0 364.486 2.840 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC000796531934 1014179008 /nfs/dbraw/zinc/17/90/08/1014179008.db2.gz MZRCDFRBHZXCLD-GOSISDBHSA-N 1 0 359.514 2.854 20 10 FFCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCc2ccccc21 ZINC000066906115 974773383 /nfs/dbraw/zinc/77/33/83/974773383.db2.gz ATUWACSPEIAWAN-QFIPXVFZSA-N 1 0 370.468 2.976 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2noc3c2CC(C)(C)CC3)cc1 ZINC000876507271 1014287792 /nfs/dbraw/zinc/28/77/92/1014287792.db2.gz ZMVNDWBDBMUBSR-MRXNPFEDSA-N 1 0 356.470 2.685 20 10 FFCDRO Cc1ncc(C(F)(F)F)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507034 1014287981 /nfs/dbraw/zinc/28/79/81/1014287981.db2.gz UFCNPBRKMFVMFY-INIZCTEOSA-N 1 0 366.387 2.905 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000876506829 1014288415 /nfs/dbraw/zinc/28/84/15/1014288415.db2.gz OVTKVHSJPMFCBJ-LJQANCHMSA-N 1 0 352.482 2.776 20 10 FFCDRO CCOc1cccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876507259 1014288654 /nfs/dbraw/zinc/28/86/54/1014288654.db2.gz ZDWQTHDHKNANGT-HXUWFJFHSA-N 1 0 355.482 2.900 20 10 FFCDRO CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1c(C)noc1C ZINC000893608064 975914495 /nfs/dbraw/zinc/91/44/95/975914495.db2.gz OHEYSPHKQRSTBE-LJQANCHMSA-N 1 0 370.497 2.853 20 10 FFCDRO Oc1cccc(N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC000876552776 1014300688 /nfs/dbraw/zinc/30/06/88/1014300688.db2.gz CVXVSOHEZCENBA-UHFFFAOYSA-N 1 0 367.493 2.676 20 10 FFCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876583397 1014310847 /nfs/dbraw/zinc/31/08/47/1014310847.db2.gz KXEMLPHCPHERNE-UHFFFAOYSA-N 1 0 373.541 2.776 20 10 FFCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876609577 1014321754 /nfs/dbraw/zinc/32/17/54/1014321754.db2.gz OQGGAPMTONGRDX-UHFFFAOYSA-N 1 0 370.493 2.651 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)N(C)C)cc1 ZINC000898447353 976468886 /nfs/dbraw/zinc/46/88/86/976468886.db2.gz IDBICCWOEZFBJZ-SFHVURJKSA-N 1 0 354.454 2.992 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@]3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC000899097610 976906318 /nfs/dbraw/zinc/90/63/18/976906318.db2.gz CJJXRUZGEGZEKQ-FUHWJXTLSA-N 1 0 366.456 2.796 20 10 FFCDRO CCN(Cc1ccccn1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101735 976911409 /nfs/dbraw/zinc/91/14/09/976911409.db2.gz LMSMLGMMBQJXMD-FQEVSTJZSA-N 1 0 369.513 2.982 20 10 FFCDRO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876739872 1014372620 /nfs/dbraw/zinc/37/26/20/1014372620.db2.gz ACXPRBIAYYEIFV-QFIPXVFZSA-N 1 0 352.478 2.739 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001268386162 977462043 /nfs/dbraw/zinc/46/20/43/977462043.db2.gz TZWQJKCJCMURKP-HGKSCXNLSA-N 1 0 360.498 2.803 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876872390 1014405199 /nfs/dbraw/zinc/40/51/99/1014405199.db2.gz CLNIMYMYCONLMD-JDQFKJTJSA-N 1 0 371.525 2.816 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000893910196 977594247 /nfs/dbraw/zinc/59/42/47/977594247.db2.gz HPTBTJXQQUTIAR-UHFFFAOYSA-N 1 0 354.406 2.855 20 10 FFCDRO O=C1CCCCCN1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876892450 1014410522 /nfs/dbraw/zinc/41/05/22/1014410522.db2.gz OUOLUVDEXIEXKY-UHFFFAOYSA-N 1 0 359.514 2.530 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1OC ZINC000894032824 977641813 /nfs/dbraw/zinc/64/18/13/977641813.db2.gz BXYHIJQQOOGXBO-UZLBHIALSA-N 1 0 361.413 2.804 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)c1O ZINC000894139378 977956315 /nfs/dbraw/zinc/95/63/15/977956315.db2.gz SSDDUOUKXYCXJS-HXUWFJFHSA-N 1 0 369.509 2.788 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCCc4ccccc43)cc2)CC1 ZINC000877028305 1014453923 /nfs/dbraw/zinc/45/39/23/1014453923.db2.gz UWSGNNIGRTYIMH-QHCPKHFHSA-N 1 0 366.505 2.961 20 10 FFCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877032001 1014456855 /nfs/dbraw/zinc/45/68/55/1014456855.db2.gz FUBPLJRFMVXKCP-HXUWFJFHSA-N 1 0 352.482 2.913 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CCCC2(C[NH+](CCCC(F)(F)F)C2)C1 ZINC001272003217 979515827 /nfs/dbraw/zinc/51/58/27/979515827.db2.gz VNPUOBXKENIUKE-UHFFFAOYSA-N 1 0 372.387 2.978 20 10 FFCDRO CC[C@H](F)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623292 979726127 /nfs/dbraw/zinc/72/61/27/979726127.db2.gz OXMCJICAQZORIB-OFQRWUPVSA-N 1 0 361.421 2.743 20 10 FFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877521435 1014611343 /nfs/dbraw/zinc/61/13/43/1014611343.db2.gz YKIRGUKMPOMKHH-SFHVURJKSA-N 1 0 359.514 2.528 20 10 FFCDRO C[C@H](NC(=O)Nc1ccccc1C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000904659755 980321957 /nfs/dbraw/zinc/32/19/57/980321957.db2.gz PLVMAOBRQUPDQH-HNNXBMFYSA-N 1 0 354.454 2.865 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCc3nnc4n3CCCCC4)CC2)cc1 ZINC000126625152 1014650806 /nfs/dbraw/zinc/65/08/06/1014650806.db2.gz PHUHUTUAGFDVEO-UHFFFAOYSA-N 1 0 369.513 2.814 20 10 FFCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877636765 1014655004 /nfs/dbraw/zinc/65/50/04/1014655004.db2.gz BOZQGOCPEPTMTC-UHFFFAOYSA-N 1 0 373.541 2.824 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[C@@H](O)c3ccccc3)C2)cc1 ZINC000905288837 980414788 /nfs/dbraw/zinc/41/47/88/980414788.db2.gz GAOVLDOGUWDFSU-PIPMEXSNSA-N 1 0 370.493 2.596 20 10 FFCDRO C[C@@]12C[NH+](Cc3cc(-c4ccccc4)ccc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877669041 1014668366 /nfs/dbraw/zinc/66/83/66/1014668366.db2.gz UYVASQMTJYPDGV-SFTDATJTSA-N 1 0 350.418 2.544 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2ccc3nnc(C4CC4)n3n2)[NH+](C)C)cc1 ZINC000897525061 981493785 /nfs/dbraw/zinc/49/37/85/981493785.db2.gz IRHXHSKAXKBGFS-QGZVFWFLSA-N 1 0 365.485 2.783 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910952483 982099169 /nfs/dbraw/zinc/09/91/69/982099169.db2.gz VFWAMXIFNATOJG-UHFFFAOYSA-N 1 0 358.438 2.748 20 10 FFCDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842007315 982569008 /nfs/dbraw/zinc/56/90/08/982569008.db2.gz XYUKTTPJOBMRDK-ZWKOTPCHSA-N 1 0 361.486 2.615 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000126951836 1014897133 /nfs/dbraw/zinc/89/71/33/1014897133.db2.gz VTSJFLFMLCRUKS-MSOLQXFVSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)cc1F ZINC000878180696 1014904153 /nfs/dbraw/zinc/90/41/53/1014904153.db2.gz FVYCEUUGQGEFEO-QGZVFWFLSA-N 1 0 364.461 2.685 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000163670540 984298779 /nfs/dbraw/zinc/29/87/79/984298779.db2.gz UZZFLXXDTRSRJD-OAQYLSRUSA-N 1 0 371.456 2.996 20 10 FFCDRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000764659017 984616744 /nfs/dbraw/zinc/61/67/44/984616744.db2.gz MJKMWLUHCSZVMF-OAHLLOKOSA-N 1 0 358.486 2.658 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000764685634 984636934 /nfs/dbraw/zinc/63/69/34/984636934.db2.gz XDEQWGZPLQWWDQ-OALUTQOASA-N 1 0 361.530 2.612 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764786148 984723581 /nfs/dbraw/zinc/72/35/81/984723581.db2.gz ZSDCTWAPXRCGGQ-FQEVSTJZSA-N 1 0 354.498 2.879 20 10 FFCDRO Fc1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)ccc1N1CCOCC1 ZINC000765265383 985014945 /nfs/dbraw/zinc/01/49/45/985014945.db2.gz HJOWOGFNNFMCLJ-KRWDZBQOSA-N 1 0 372.440 2.982 20 10 FFCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]CCc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001168589189 985653919 /nfs/dbraw/zinc/65/39/19/985653919.db2.gz AQEQBEMQXOPNTI-YWZLYKJASA-N 1 0 359.422 2.864 20 10 FFCDRO Cc1conc1CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068067 986182364 /nfs/dbraw/zinc/18/23/64/986182364.db2.gz KQXQKZGJSNALOX-DOMZBBRYSA-N 1 0 370.413 2.538 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000174607244 986262450 /nfs/dbraw/zinc/26/24/50/986262450.db2.gz FJOOAAIAFFVLQZ-LPHOPBHVSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000999135536 986347685 /nfs/dbraw/zinc/34/76/85/986347685.db2.gz GYQRVHSVQABDOM-FTISGTJISA-N 1 0 372.509 2.898 20 10 FFCDRO CC[N@H+](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000153096977 987632161 /nfs/dbraw/zinc/63/21/61/987632161.db2.gz JZEIWSACIYCDMR-AWEZNQCLSA-N 1 0 367.440 2.857 20 10 FFCDRO C[NH+](C)CCCOc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000761645457 987651952 /nfs/dbraw/zinc/65/19/52/987651952.db2.gz OTQVKQHJHNSLEU-UHFFFAOYSA-N 1 0 373.453 2.793 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000153275358 987831588 /nfs/dbraw/zinc/83/15/88/987831588.db2.gz PRPAJIRFKDILGW-QAPCUYQASA-N 1 0 372.465 2.962 20 10 FFCDRO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765973793 987922583 /nfs/dbraw/zinc/92/25/83/987922583.db2.gz FRLSUVXROBFPBN-PGRDOPGGSA-N 1 0 373.541 2.817 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000765978138 988226726 /nfs/dbraw/zinc/22/67/26/988226726.db2.gz SSUCHMUNJPAVJQ-QFIPXVFZSA-N 1 0 373.541 2.897 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)ccc1OC ZINC000922408657 988575077 /nfs/dbraw/zinc/57/50/77/988575077.db2.gz BMDWGJUFMVHOMZ-YJBOKZPZSA-N 1 0 360.458 2.526 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000922808337 988928263 /nfs/dbraw/zinc/92/82/63/988928263.db2.gz XRTVDGXURHRGDF-HXUWFJFHSA-N 1 0 360.498 2.982 20 10 FFCDRO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000922871370 988971128 /nfs/dbraw/zinc/97/11/28/988971128.db2.gz FJHFCQJZJOENNT-DLBZAZTESA-N 1 0 356.470 2.895 20 10 FFCDRO CCOc1ccc(N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000763158618 989130372 /nfs/dbraw/zinc/13/03/72/989130372.db2.gz OQEKCKQNTRBJCW-FQEVSTJZSA-N 1 0 355.482 2.941 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000074060561 989504737 /nfs/dbraw/zinc/50/47/37/989504737.db2.gz ANJMIJYOSYVYSY-IBGZPJMESA-N 1 0 374.529 2.790 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000705624922 990478181 /nfs/dbraw/zinc/47/81/81/990478181.db2.gz SVRNLLWJGVSAOQ-UHFFFAOYSA-N 1 0 363.502 2.916 20 10 FFCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000923006460 990787361 /nfs/dbraw/zinc/78/73/61/990787361.db2.gz HXQPGFNTOBRKCS-UHGJSFDGSA-N 1 0 366.505 2.830 20 10 FFCDRO C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC001598217202 990882263 /nfs/dbraw/zinc/88/22/63/990882263.db2.gz NAHQSBRRWNAAEA-MRXNPFEDSA-N 1 0 372.465 2.786 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000879587837 1015597576 /nfs/dbraw/zinc/59/75/76/1015597576.db2.gz GCVYBHBQXGLKQG-MRXNPFEDSA-N 1 0 370.419 2.579 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000879651433 1015624900 /nfs/dbraw/zinc/62/49/00/1015624900.db2.gz VJLZUYNDTOSHNO-HOTGVXAUSA-N 1 0 369.465 2.907 20 10 FFCDRO CCCn1cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cn1 ZINC000180947504 991579615 /nfs/dbraw/zinc/57/96/15/991579615.db2.gz JGSREAKVJURNLF-UHFFFAOYSA-N 1 0 373.476 2.504 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2OC)c1 ZINC000182442991 992047721 /nfs/dbraw/zinc/04/77/21/992047721.db2.gz HCTTZVYSPOMTDT-ZIAGYGMSSA-N 1 0 358.438 2.937 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000809567569 994540614 /nfs/dbraw/zinc/54/06/14/994540614.db2.gz JZIZLVYTOJKVSV-FQEVSTJZSA-N 1 0 366.509 2.986 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809740292 994601988 /nfs/dbraw/zinc/60/19/88/994601988.db2.gz SNMQOSJVILXLNZ-ZDUSSCGKSA-N 1 0 372.421 2.694 20 10 FFCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000810174030 994729601 /nfs/dbraw/zinc/72/96/01/994729601.db2.gz OCNSGXGFARQLGM-OAQYLSRUSA-N 1 0 358.482 2.853 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593303595 994735688 /nfs/dbraw/zinc/73/56/88/994735688.db2.gz HIBUHPVSERCUJB-OAHLLOKOSA-N 1 0 369.465 2.693 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@H]2C)cc1C ZINC001082489189 994738135 /nfs/dbraw/zinc/73/81/35/994738135.db2.gz OBEUIDNWLRTOBS-DDOBUIPCSA-N 1 0 353.466 2.982 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)nnc3C)C[C@H]2C)cc1C ZINC001082534409 994843304 /nfs/dbraw/zinc/84/33/04/994843304.db2.gz QBUDDROZHNHKIC-AUUYWEPGSA-N 1 0 368.481 2.661 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2C)cc1C ZINC001082622839 995108056 /nfs/dbraw/zinc/10/80/56/995108056.db2.gz WDNDGWWVZROGAB-YLJYHZDGSA-N 1 0 367.493 2.968 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](OC)C3CCC3)C[C@H]2C)cc1C ZINC001082669791 995227532 /nfs/dbraw/zinc/22/75/32/995227532.db2.gz VXOGAPWZDAJXOO-ZTNFWEORSA-N 1 0 360.498 2.755 20 10 FFCDRO CC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001133123383 995333238 /nfs/dbraw/zinc/33/32/38/995333238.db2.gz JLRLPUJXPDNTAZ-UHFFFAOYSA-N 1 0 365.477 2.879 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000812831122 995546580 /nfs/dbraw/zinc/54/65/80/995546580.db2.gz KXWSCMXYIULILE-UHFFFAOYSA-N 1 0 365.477 2.843 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]2C)cc1C ZINC001082915995 995815613 /nfs/dbraw/zinc/81/56/13/995815613.db2.gz AXVAANWEQYNMDO-AUUYWEPGSA-N 1 0 370.497 2.523 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3cccs3)cc2F)CC1 ZINC001116115400 1032135329 /nfs/dbraw/zinc/13/53/29/1032135329.db2.gz LFUQRGLRPMLSOG-IBGZPJMESA-N 1 0 363.502 2.636 20 10 FFCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000824086542 996792031 /nfs/dbraw/zinc/79/20/31/996792031.db2.gz XXLRJEVVNHWZJT-KRWDZBQOSA-N 1 0 371.456 2.826 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4c3CCC4)cc2F)CC1 ZINC000730108585 996836556 /nfs/dbraw/zinc/83/65/56/996836556.db2.gz RHNCRGJIRPUJME-UHFFFAOYSA-N 1 0 355.461 2.858 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874825 996935621 /nfs/dbraw/zinc/93/56/21/996935621.db2.gz UEVVHJVCKADKIZ-UTKZUKDTSA-N 1 0 368.525 2.767 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)ccc3O)cc2F)CC1 ZINC000730192905 996956473 /nfs/dbraw/zinc/95/64/73/996956473.db2.gz PNVBRQHVHFWJRK-UHFFFAOYSA-N 1 0 371.456 2.912 20 10 FFCDRO COc1cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824709594 997064584 /nfs/dbraw/zinc/06/45/84/997064584.db2.gz MMYAXVXVGAFDFJ-OALUTQOASA-N 1 0 362.514 2.729 20 10 FFCDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC001136929103 997072668 /nfs/dbraw/zinc/07/26/68/997072668.db2.gz JKENRSILPCYAOB-AUUYWEPGSA-N 1 0 360.479 2.901 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000128776886 1016106741 /nfs/dbraw/zinc/10/67/41/1016106741.db2.gz UMWUVALDVKEYCW-VQIMIIECSA-N 1 0 358.530 2.941 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000844181048 997696900 /nfs/dbraw/zinc/69/69/00/997696900.db2.gz MJTGTKAQLMVRCL-BEVDRBHNSA-N 1 0 357.498 2.701 20 10 FFCDRO Cc1cc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)n(C(C)(C)C)n1 ZINC000844219570 997711952 /nfs/dbraw/zinc/71/19/52/997711952.db2.gz LCEQZXMHXWFRGZ-UHFFFAOYSA-N 1 0 355.486 2.797 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1c1ccccc1 ZINC000844741126 998111242 /nfs/dbraw/zinc/11/12/42/998111242.db2.gz JPAMEIQYHZBWFR-JKSUJKDBSA-N 1 0 355.390 2.510 20 10 FFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307720 998305632 /nfs/dbraw/zinc/30/56/32/998305632.db2.gz GKVCKAVOFTTXOC-LBPRGKRZSA-N 1 0 359.239 2.737 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845040382 998311028 /nfs/dbraw/zinc/31/10/28/998311028.db2.gz BFMMGOZNSHOHQV-KRWDZBQOSA-N 1 0 362.518 2.647 20 10 FFCDRO COC(=O)c1ccc(OC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144509192 998622721 /nfs/dbraw/zinc/62/27/21/998622721.db2.gz OMCIEGLENWEXSJ-UHFFFAOYSA-N 1 0 373.405 2.633 20 10 FFCDRO CCn1ncc2c1C[N@H+](Cc1c(O)cc(O)cc1O)C[C@@H]2COCC1CC1 ZINC001144509893 998623322 /nfs/dbraw/zinc/62/33/22/998623322.db2.gz NCPBUUZFUMRMQM-CQSZACIVSA-N 1 0 373.453 2.546 20 10 FFCDRO CC[N@@H+](Cc1c(O)cc(O)cc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001144516053 998627263 /nfs/dbraw/zinc/62/72/63/998627263.db2.gz NLDVXJURSRUCEI-SFHVURJKSA-N 1 0 372.465 2.526 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515802 998627302 /nfs/dbraw/zinc/62/73/02/998627302.db2.gz ZFKYLQHPCGAVED-NWDGAFQWSA-N 1 0 352.431 2.539 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)c(O)c1 ZINC001144515436 998627317 /nfs/dbraw/zinc/62/73/17/998627317.db2.gz OPMDZGJLYWMFQS-LJQANCHMSA-N 1 0 354.450 2.999 20 10 FFCDRO O=C1CC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)Oc2ccc(F)cc21 ZINC001144515486 998627457 /nfs/dbraw/zinc/62/74/57/998627457.db2.gz QDUJBDDHCCYXRH-UHFFFAOYSA-N 1 0 373.380 2.943 20 10 FFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1c1ccccc1 ZINC001144515460 998627677 /nfs/dbraw/zinc/62/76/77/998627677.db2.gz PGLJXGBHDQOAFS-IRXDYDNUSA-N 1 0 371.433 2.972 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)[nH]2)cc1C ZINC001085150769 999030560 /nfs/dbraw/zinc/03/05/60/999030560.db2.gz XFTFIRGVLHUNNI-IAGOWNOFSA-N 1 0 356.470 2.866 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000733891775 999112565 /nfs/dbraw/zinc/11/25/65/999112565.db2.gz TXZIJWUGJLEJQH-GOSISDBHSA-N 1 0 359.514 2.998 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c(O)c1 ZINC000734845802 999348279 /nfs/dbraw/zinc/34/82/79/999348279.db2.gz HISHQMDOJNALKL-QFIPXVFZSA-N 1 0 370.493 2.908 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ccnc2C)cc1C ZINC001085423506 999498135 /nfs/dbraw/zinc/49/81/35/999498135.db2.gz SXHPKRGDDUHTQA-RTBURBONSA-N 1 0 370.497 2.726 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086155289 999787028 /nfs/dbraw/zinc/78/70/28/999787028.db2.gz YXYXQLPUTLZAEE-HCXYKTFWSA-N 1 0 360.498 2.803 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cncc(C)c3)CC2)cc1 ZINC000768204116 1000191439 /nfs/dbraw/zinc/19/14/39/1000191439.db2.gz YAVKDZGAZLCLSL-GOSISDBHSA-N 1 0 354.498 2.871 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000768214084 1000195924 /nfs/dbraw/zinc/19/59/24/1000195924.db2.gz YVBMVPGNRVITNZ-UHFFFAOYSA-N 1 0 356.422 2.957 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000768249469 1000200655 /nfs/dbraw/zinc/20/06/55/1000200655.db2.gz GVRPFEUIQUAWOZ-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000846167956 1000214986 /nfs/dbraw/zinc/21/49/86/1000214986.db2.gz PJSVHHIMDZFMJW-HOTGVXAUSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000846146598 1000218510 /nfs/dbraw/zinc/21/85/10/1000218510.db2.gz RLEWGHDWWWQUFD-ILZDJORESA-N 1 0 370.493 2.934 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000846176887 1000223117 /nfs/dbraw/zinc/22/31/17/1000223117.db2.gz IXKLMUITBAOKBO-QAQDUYKDSA-N 1 0 362.518 2.538 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)cc1OC ZINC000768440196 1000249374 /nfs/dbraw/zinc/24/93/74/1000249374.db2.gz DTCBIEONNFJWSZ-UHFFFAOYSA-N 1 0 370.449 2.934 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCc1ccccc13)[C@@H](O)CO2 ZINC000768463412 1000263155 /nfs/dbraw/zinc/26/31/55/1000263155.db2.gz IKGONUSTRUBALL-IBGZPJMESA-N 1 0 353.418 2.840 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000846674860 1000406815 /nfs/dbraw/zinc/40/68/15/1000406815.db2.gz WETNUTKAJKQQQZ-GJZGRUSLSA-N 1 0 367.440 2.763 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000846696254 1000411799 /nfs/dbraw/zinc/41/17/99/1000411799.db2.gz DCLNZFLYNLTDDL-UZLBHIALSA-N 1 0 355.482 2.926 20 10 FFCDRO C[C@H]1C[N@H+](Cc2cccc(I)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206028299 1000501444 /nfs/dbraw/zinc/50/14/44/1000501444.db2.gz YBFHTXPVXJIAAD-NWDGAFQWSA-N 1 0 374.266 2.804 20 10 FFCDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769513824 1000539141 /nfs/dbraw/zinc/53/91/41/1000539141.db2.gz FNWKFSDPNUJIAG-LJQANCHMSA-N 1 0 361.505 2.826 20 10 FFCDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000770379874 1000756920 /nfs/dbraw/zinc/75/69/20/1000756920.db2.gz LAYQUDLLTNHZNY-UHFFFAOYSA-N 1 0 362.474 2.789 20 10 FFCDRO COc1ccc(CC[NH+]2CCC(NC(=O)c3cccc(O)c3O)CC2)cc1 ZINC001148224508 1001074904 /nfs/dbraw/zinc/07/49/04/1001074904.db2.gz NYDGJGIBAQARBC-UHFFFAOYSA-N 1 0 370.449 2.543 20 10 FFCDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148587744 1001176875 /nfs/dbraw/zinc/17/68/75/1001176875.db2.gz LOBVQIAANUQIJH-UHFFFAOYSA-N 1 0 374.412 2.679 20 10 FFCDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000787437353 1001691023 /nfs/dbraw/zinc/69/10/23/1001691023.db2.gz STUYASYCXMCLRA-HXUWFJFHSA-N 1 0 357.406 2.732 20 10 FFCDRO COc1cc(C)c(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c(O)c1 ZINC001183095991 1002161666 /nfs/dbraw/zinc/16/16/66/1002161666.db2.gz XPVNBISTIDSKMC-LJQANCHMSA-N 1 0 369.509 2.615 20 10 FFCDRO Cc1cc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)c(C)n1-c1ccccn1 ZINC000789770809 1002185152 /nfs/dbraw/zinc/18/51/52/1002185152.db2.gz FYNRJWZDEULHNE-QGZVFWFLSA-N 1 0 357.454 2.755 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1 ZINC000789953072 1002237190 /nfs/dbraw/zinc/23/71/90/1002237190.db2.gz MASUJELSLNWSDC-HNNXBMFYSA-N 1 0 360.429 2.920 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)Cc1ccccc1 ZINC000789953073 1002237616 /nfs/dbraw/zinc/23/76/16/1002237616.db2.gz MASUJELSLNWSDC-OAHLLOKOSA-N 1 0 360.429 2.920 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CCC(=O)Nc3cccnc3)CC2)cc1 ZINC000790123106 1002292013 /nfs/dbraw/zinc/29/20/13/1002292013.db2.gz GRJVTGIHJCRTIA-UHFFFAOYSA-N 1 0 354.454 2.631 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(C)C(F)F)CC2)cc1 ZINC000791475129 1002722874 /nfs/dbraw/zinc/72/28/74/1002722874.db2.gz KPARFCRFHOUAAZ-UHFFFAOYSA-N 1 0 369.456 2.615 20 10 FFCDRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000791567162 1002743297 /nfs/dbraw/zinc/74/32/97/1002743297.db2.gz HEQLAOFUCZJMHC-GEEKYZPCSA-N 1 0 363.477 2.538 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NOC3CCCC3)cc2F)CC1 ZINC000774808647 1002789675 /nfs/dbraw/zinc/78/96/75/1002789675.db2.gz RTGNZCXOGVRKTO-UHFFFAOYSA-N 1 0 364.465 2.641 20 10 FFCDRO O=C(NCc1cccc(F)c1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001185853963 1003096043 /nfs/dbraw/zinc/09/60/43/1003096043.db2.gz IXDWKGMBERLYKZ-UHFFFAOYSA-N 1 0 357.429 2.995 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(O)c1 ZINC000792891327 1003221876 /nfs/dbraw/zinc/22/18/76/1003221876.db2.gz WOFYLCPJBUOWFI-QGZVFWFLSA-N 1 0 361.417 2.642 20 10 FFCDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203635623 1003237350 /nfs/dbraw/zinc/23/73/50/1003237350.db2.gz BJZHJERBAOBXID-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775695693 1003704254 /nfs/dbraw/zinc/70/42/54/1003704254.db2.gz BBYPYFOJXGEVPP-NRFANRHFSA-N 1 0 367.493 2.785 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CCOCC3)C2)cc1C ZINC001086630675 1003996079 /nfs/dbraw/zinc/99/60/79/1003996079.db2.gz NEDXDAGHNLSBTK-PKOBYXMFSA-N 1 0 360.498 2.805 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(C)C3CC3)CC2)cc1 ZINC000806320526 1004291982 /nfs/dbraw/zinc/29/19/82/1004291982.db2.gz IYOJORPELIBSJS-UHFFFAOYSA-N 1 0 359.514 2.760 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)c1 ZINC000775562300 1004355618 /nfs/dbraw/zinc/35/56/18/1004355618.db2.gz NBDOCSOSOLXOMA-CYBMUJFWSA-N 1 0 353.422 2.959 20 10 FFCDRO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(O)c1O ZINC001193114090 1004378415 /nfs/dbraw/zinc/37/84/15/1004378415.db2.gz KUSLACNBAGWACO-MRXNPFEDSA-N 1 0 356.422 2.673 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(N(C)C)cc1 ZINC000775828559 1004533306 /nfs/dbraw/zinc/53/33/06/1004533306.db2.gz QRNLWSTVRDQEKK-CQSZACIVSA-N 1 0 368.437 2.901 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000775834694 1004563581 /nfs/dbraw/zinc/56/35/81/1004563581.db2.gz CTUMLJFKGDVZCC-BEFAXECRSA-N 1 0 353.466 2.523 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)n1-c1ccccc1C ZINC000808161430 1004765740 /nfs/dbraw/zinc/76/57/40/1004765740.db2.gz YHVFGKVUBPCRFQ-MOPGFXCFSA-N 1 0 367.493 2.684 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(CO)c1 ZINC000776305587 1005355218 /nfs/dbraw/zinc/35/52/18/1005355218.db2.gz GTMRUFPOWUPLRA-OXJNMPFZSA-N 1 0 367.493 2.731 20 10 FFCDRO CCCCO[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702019 1005356573 /nfs/dbraw/zinc/35/65/73/1005356573.db2.gz FIDBUJDEUZAMFY-MRXNPFEDSA-N 1 0 365.493 2.789 20 10 FFCDRO COc1ncc(/C=C\C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC000776311631 1005358973 /nfs/dbraw/zinc/35/89/73/1005358973.db2.gz STVIDQONRMULNP-XZVRFQMRSA-N 1 0 350.422 2.510 20 10 FFCDRO COC(=O)C[C@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCCOC1 ZINC000825536335 1005367052 /nfs/dbraw/zinc/36/70/52/1005367052.db2.gz HJUPHLRFWOOHQJ-HXUWFJFHSA-N 1 0 365.470 2.900 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccnn2CC2CC2)cc(F)c1N1CCOCC1 ZINC000850324151 1005806100 /nfs/dbraw/zinc/80/61/00/1005806100.db2.gz YJHDLVQHPJKWQS-UHFFFAOYSA-N 1 0 362.424 2.698 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000850345616 1005809011 /nfs/dbraw/zinc/80/90/11/1005809011.db2.gz GHVAJISGRXGGRC-IBGZPJMESA-N 1 0 367.493 2.900 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4c(cc3OC)OCO4)C2)cc1 ZINC000850347167 1005809156 /nfs/dbraw/zinc/80/91/56/1005809156.db2.gz OZXDWMRARFQXTA-OAHLLOKOSA-N 1 0 356.422 2.801 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnnn3-c3ccccc3)cc2)CC1 ZINC000850406423 1005813762 /nfs/dbraw/zinc/81/37/62/1005813762.db2.gz GLINURDLXVFZAF-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850406655 1005813826 /nfs/dbraw/zinc/81/38/26/1005813826.db2.gz OWUGCFGZFBOWJD-UHFFFAOYSA-N 1 0 354.498 2.789 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000850414176 1005814011 /nfs/dbraw/zinc/81/40/11/1005814011.db2.gz LKAAJDKUCXJGJJ-HXUWFJFHSA-N 1 0 369.509 2.697 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850509932 1005819491 /nfs/dbraw/zinc/81/94/91/1005819491.db2.gz UCIAIRVEODOHHB-KBXCAEBGSA-N 1 0 371.437 2.718 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000109952591 1005878096 /nfs/dbraw/zinc/87/80/96/1005878096.db2.gz PNFVLFTYEJZOPI-UHFFFAOYSA-N 1 0 367.493 2.953 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851641981 1005902100 /nfs/dbraw/zinc/90/21/00/1005902100.db2.gz RMHGIBKTOJYSNQ-KKSFZXQISA-N 1 0 365.477 2.872 20 10 FFCDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000852012068 1005932884 /nfs/dbraw/zinc/93/28/84/1005932884.db2.gz DNFRDBHQZRFJDH-QFBILLFUSA-N 1 0 374.529 2.756 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(CO)c3)c2)CC1 ZINC000813506719 1005962632 /nfs/dbraw/zinc/96/26/32/1005962632.db2.gz MXMSCTCNZVSAAX-UHFFFAOYSA-N 1 0 353.466 2.962 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454122 1006035638 /nfs/dbraw/zinc/03/56/38/1006035638.db2.gz NXYTWKWODZKCMR-ROUUACIJSA-N 1 0 374.529 2.647 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000852654607 1006126897 /nfs/dbraw/zinc/12/68/97/1006126897.db2.gz LFZJRGVYRNMCLB-OAQYLSRUSA-N 1 0 366.509 2.580 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000881850891 1006241962 /nfs/dbraw/zinc/24/19/62/1006241962.db2.gz JOGOMMZBCSTNSX-UHFFFAOYSA-N 1 0 359.420 2.576 20 10 FFCDRO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235992 1006362619 /nfs/dbraw/zinc/36/26/19/1006362619.db2.gz LNHKBHJAHZGXGP-UHFFFAOYSA-N 1 0 360.429 2.891 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2OCCc3ccccc32)[NH+](C)C)cc1 ZINC001134682085 1006444292 /nfs/dbraw/zinc/44/42/92/1006444292.db2.gz UOFANVRMTCKRRV-NHCUHLMSSA-N 1 0 367.493 2.786 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC001134882441 1006524835 /nfs/dbraw/zinc/52/48/35/1006524835.db2.gz PZERKLLTERWYNK-PMACEKPBSA-N 1 0 367.493 2.865 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000853985025 1006615665 /nfs/dbraw/zinc/61/56/65/1006615665.db2.gz VSEYREFMRQDXGK-ROUUACIJSA-N 1 0 374.529 2.838 20 10 FFCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775190414 1006670693 /nfs/dbraw/zinc/67/06/93/1006670693.db2.gz VQMHASKCBSHVLA-LJQANCHMSA-N 1 0 353.514 2.552 20 10 FFCDRO CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000854187626 1006718601 /nfs/dbraw/zinc/71/86/01/1006718601.db2.gz OIINOMHHUDTZFB-HKUYNNGSSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[NH2+]C3CCCCC3)C2)cc1 ZINC000854301715 1006767438 /nfs/dbraw/zinc/76/74/38/1006767438.db2.gz CXKHQTNNBIMUOU-GOSISDBHSA-N 1 0 374.529 2.886 20 10 FFCDRO O=C(CCc1cncnc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835361 1006802200 /nfs/dbraw/zinc/80/22/00/1006802200.db2.gz QMWFHBNNLGLZGY-KRWDZBQOSA-N 1 0 374.872 2.549 20 10 FFCDRO CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)C[NH+](C)C)cc1 ZINC000854466316 1006842995 /nfs/dbraw/zinc/84/29/95/1006842995.db2.gz AJWRFJZLMBJDFY-INIZCTEOSA-N 1 0 369.469 2.820 20 10 FFCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000112917744 1007066030 /nfs/dbraw/zinc/06/60/30/1007066030.db2.gz GBZFOWGOAIGIRS-IBGZPJMESA-N 1 0 368.525 2.850 20 10 FFCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775256026 1007108675 /nfs/dbraw/zinc/10/86/75/1007108675.db2.gz SZHPKELYMHWITM-MRXNPFEDSA-N 1 0 369.465 2.821 20 10 FFCDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255829 1007110379 /nfs/dbraw/zinc/11/03/79/1007110379.db2.gz RLQPUXBWCGCOFN-MJGOQNOKSA-N 1 0 359.514 2.965 20 10 FFCDRO CN1CCN(C(=O)C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)CC1 ZINC000816610453 1007135772 /nfs/dbraw/zinc/13/57/72/1007135772.db2.gz KYNRQCSBLWVRTE-UHFFFAOYSA-N 1 0 367.493 2.531 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000856211008 1007726653 /nfs/dbraw/zinc/72/66/53/1007726653.db2.gz VVZBPTYCXKWTOO-ZACQAIPSSA-N 1 0 359.514 2.525 20 10 FFCDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938316 1007815947 /nfs/dbraw/zinc/81/59/47/1007815947.db2.gz IULIYZZPNSZAQY-YJBOKZPZSA-N 1 0 370.497 2.768 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000818222297 1007887602 /nfs/dbraw/zinc/88/76/02/1007887602.db2.gz WIHITGLQZGPBLL-QGZVFWFLSA-N 1 0 363.465 2.892 20 10 FFCDRO CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000818953917 1007990922 /nfs/dbraw/zinc/99/09/22/1007990922.db2.gz OUVWBYIKKADSGH-FQEVSTJZSA-N 1 0 374.506 2.514 20 10 FFCDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000818985244 1008001364 /nfs/dbraw/zinc/00/13/64/1008001364.db2.gz PKUMJBMEHZJARG-FQEVSTJZSA-N 1 0 368.477 2.801 20 10 FFCDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096175 1008033027 /nfs/dbraw/zinc/03/30/27/1008033027.db2.gz YMDGILQOLAQTEN-QFIPXVFZSA-N 1 0 351.494 2.645 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1O ZINC000857066572 1008049996 /nfs/dbraw/zinc/04/99/96/1008049996.db2.gz NZQNEJKPGXUNFK-UHFFFAOYSA-N 1 0 357.429 2.515 20 10 FFCDRO C[NH+](C)Cc1cc(CN2C(=O)CN(Cc3ccccc3O)C2=O)ccc1F ZINC000819167857 1008055227 /nfs/dbraw/zinc/05/52/27/1008055227.db2.gz ILSAKKFWZJXRIE-UHFFFAOYSA-N 1 0 371.412 2.557 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(F)c3)CC2)cc1 ZINC000011853415 1008180305 /nfs/dbraw/zinc/18/03/05/1008180305.db2.gz OOMVFPFGXMDTPU-UHFFFAOYSA-N 1 0 371.456 2.776 20 10 FFCDRO COc1cc(C)cc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000819900390 1008246831 /nfs/dbraw/zinc/24/68/31/1008246831.db2.gz CFTRPFWBMUFGTR-UHFFFAOYSA-N 1 0 368.433 2.827 20 10 FFCDRO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000115811029 1008289691 /nfs/dbraw/zinc/28/96/91/1008289691.db2.gz CROYDDXVZVOGCH-ZWKOTPCHSA-N 1 0 374.529 2.567 20 10 FFCDRO Cn1cc([C@@H](NCc2ccc(N3CC[NH+](C)CC3)cc2)C(F)(F)F)cn1 ZINC000858164040 1008315878 /nfs/dbraw/zinc/31/58/78/1008315878.db2.gz OICRFMZYRHUQPM-QGZVFWFLSA-N 1 0 367.419 2.565 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCC34CC4)CC2)cc1 ZINC000858179661 1008318550 /nfs/dbraw/zinc/31/85/50/1008318550.db2.gz DNRJIGFPAGQRJP-FQEVSTJZSA-N 1 0 371.525 2.904 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCc4scnc43)CC2)cc1 ZINC000858358172 1008350045 /nfs/dbraw/zinc/35/00/45/1008350045.db2.gz AKVPOVSNDQZMGW-SFHVURJKSA-N 1 0 372.538 2.941 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(O)c1C ZINC000858565701 1008383051 /nfs/dbraw/zinc/38/30/51/1008383051.db2.gz XNHLJJJTDRWWFV-HKUYNNGSSA-N 1 0 355.482 2.956 20 10 FFCDRO COc1cc(NC(=O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc(OC)c1 ZINC000822490253 1008620327 /nfs/dbraw/zinc/62/03/27/1008620327.db2.gz RRRDCLMNHYEDBM-UHFFFAOYSA-N 1 0 361.417 2.637 20 10 FFCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324755 1008637022 /nfs/dbraw/zinc/63/70/22/1008637022.db2.gz FQMBSPGZBJWBAP-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO COc1cccc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000822526772 1008646771 /nfs/dbraw/zinc/64/67/71/1008646771.db2.gz XPTKSTQVHYGHCA-UHFFFAOYSA-N 1 0 354.406 2.519 20 10 FFCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OCc2ccccc2)c(F)c1F ZINC001170994744 1008709202 /nfs/dbraw/zinc/70/92/02/1008709202.db2.gz ZTXCDCWHXKLDDV-UHFFFAOYSA-N 1 0 364.392 2.872 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000886747566 1008858012 /nfs/dbraw/zinc/85/80/12/1008858012.db2.gz YGXJSIXWFJRWLR-RBUKOAKNSA-N 1 0 359.514 2.682 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@H]3c3nc(C)no3)cc2)CC1 ZINC000860149074 1008862120 /nfs/dbraw/zinc/86/21/20/1008862120.db2.gz LOENGPAUWKTKOP-MOPGFXCFSA-N 1 0 372.469 2.613 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC3([NH+](C)C)CCCC3)C2)cc1 ZINC000823230867 1008974950 /nfs/dbraw/zinc/97/49/50/1008974950.db2.gz PETRQOJMKIMIPV-QGZVFWFLSA-N 1 0 374.529 2.695 20 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1009565679 /nfs/dbraw/zinc/56/56/79/1009565679.db2.gz MHMQXBUSVNMYAO-OXQOHEQNSA-N 1 0 351.450 2.683 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)CC1 ZINC000118775196 1009732729 /nfs/dbraw/zinc/73/27/29/1009732729.db2.gz KBOGUZBOIYWEKO-UHFFFAOYSA-N 1 0 353.466 2.806 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000862263200 1009770380 /nfs/dbraw/zinc/77/03/80/1009770380.db2.gz REBUZNOQNSFBOO-UHFFFAOYSA-N 1 0 370.497 2.863 20 10 FFCDRO CN(C)c1cc(F)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1F ZINC000862367674 1009812284 /nfs/dbraw/zinc/81/22/84/1009812284.db2.gz QZHNLBGLWWJHAQ-QGZVFWFLSA-N 1 0 366.500 2.631 20 10 FFCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000862427695 1009841481 /nfs/dbraw/zinc/84/14/81/1009841481.db2.gz CTWMLLLGXNPZPI-JOCHJYFZSA-N 1 0 352.478 2.833 20 10 FFCDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000862465140 1009850123 /nfs/dbraw/zinc/85/01/23/1009850123.db2.gz NMKMJHAXCDQRGL-MRXNPFEDSA-N 1 0 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O=C(C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)NCC(F)F ZINC000796363614 1012358062 /nfs/dbraw/zinc/35/80/62/1012358062.db2.gz QLXUDFTXVFXREC-UHFFFAOYSA-N 1 0 359.420 2.720 20 10 FFCDRO COCC[NH+]1CCC2(CCC(=O)N(Cc3ccc(N(C)C)cc3)C2)CC1 ZINC001276357343 1012505402 /nfs/dbraw/zinc/50/54/02/1012505402.db2.gz KPOQQXKIHNXBHE-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2=O)cc1 ZINC001275603683 1012684517 /nfs/dbraw/zinc/68/45/17/1012684517.db2.gz ZDSXSWUAMGCESE-OAQYLSRUSA-N 1 0 352.482 2.705 20 10 FFCDRO CCON1CCC([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000924715243 1017441430 /nfs/dbraw/zinc/44/14/30/1017441430.db2.gz LLCFBUQJBNSHCW-HOTGVXAUSA-N 1 0 365.493 2.945 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@H]34)cc2F)CC1 ZINC000924760577 1017466640 /nfs/dbraw/zinc/46/66/40/1017466640.db2.gz PUUCTZTYJFNZNP-PZJWPPBQSA-N 1 0 361.505 2.893 20 10 FFCDRO CC1(C)[C@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504078 1017770100 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CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001071025352 1020128054 /nfs/dbraw/zinc/12/80/54/1020128054.db2.gz CFBVLAAYYUCIGB-NQIIRXRSSA-N 1 0 360.498 2.899 20 10 FFCDRO CN(C)c1ccc([C@@H](CN2C(=O)N(C)C3(CCCC3)C2=O)[NH+](C)C)cc1 ZINC000900186101 1020251939 /nfs/dbraw/zinc/25/19/39/1020251939.db2.gz WXXDMLGFYHUPBE-QGZVFWFLSA-N 1 0 358.486 2.562 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000726163652 1020426215 /nfs/dbraw/zinc/42/62/15/1020426215.db2.gz LNHCANYYZBVKQB-RTBURBONSA-N 1 0 367.493 2.996 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC(C[NH+](C)C)CC3)CC2)cc1 ZINC000726713281 1020512010 /nfs/dbraw/zinc/51/20/10/1020512010.db2.gz LZYJJYZAFWCBMH-UHFFFAOYSA-N 1 0 374.529 2.647 20 10 FFCDRO c1c(C[NH2+]C2CCCCC2)nnn1Cc1ccc(N2CCOCC2)cc1 ZINC000900601386 1020538427 /nfs/dbraw/zinc/53/84/27/1020538427.db2.gz PEHCBZLHQDACEY-UHFFFAOYSA-N 1 0 355.486 2.585 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1 ZINC000902958156 1020597888 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WNEVUYMFSZRXQN-GFCCVEGCSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[NH2+]CC[C@@H]3F)cccc21 ZINC001218012241 1032951814 /nfs/dbraw/zinc/95/18/14/1032951814.db2.gz IRLOXJQFPMBBPL-DZGCQCFKSA-N 1 0 355.365 2.637 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)NC)cc3)CC2)cc1 ZINC001116348071 1021174207 /nfs/dbraw/zinc/17/42/07/1021174207.db2.gz LHWJSYLLIMLBAU-UHFFFAOYSA-N 1 0 353.466 2.767 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1F ZINC000829038839 1032964447 /nfs/dbraw/zinc/96/44/47/1032964447.db2.gz QTAZRIUXCYBMSC-QGZVFWFLSA-N 1 0 373.476 2.723 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222434083 1032971450 /nfs/dbraw/zinc/97/14/50/1032971450.db2.gz BMTIZNXNDGDKRT-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CC3(C2)C[NH2+]CCO3)c(O)c1 ZINC001222441476 1032972512 /nfs/dbraw/zinc/97/25/12/1032972512.db2.gz IOXITFGSUKNGEY-UHFFFAOYSA-N 1 0 361.530 2.973 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218059469 1032973321 /nfs/dbraw/zinc/97/33/21/1032973321.db2.gz JNGOXFLCCCPGMK-OLZOCXBDSA-N 1 0 351.402 2.990 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc2F)CC1 ZINC001117788936 1021890962 /nfs/dbraw/zinc/89/09/62/1021890962.db2.gz CFUDYLMVUJJBEX-KRWDZBQOSA-N 1 0 351.510 2.806 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@@H](C)OC)C3)cc1C ZINC001099388301 1022427740 /nfs/dbraw/zinc/42/77/40/1022427740.db2.gz DVRFPVQENIGZAE-MMOPVJDHSA-N 1 0 360.498 2.757 20 10 FFCDRO CN(C)c1ccc(CN2C[C@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)cc1 ZINC001276373901 1022553296 /nfs/dbraw/zinc/55/32/96/1022553296.db2.gz KXLBDKLIMNYWEI-OAQYLSRUSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1cc(NC(=O)N(C)Cc2ccccc2O)n(C2CC[NH+](C)CC2)n1 ZINC000751011946 1022744998 /nfs/dbraw/zinc/74/49/98/1022744998.db2.gz NYPCRGRPYAHHJK-UHFFFAOYSA-N 1 0 357.458 2.828 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001119485962 1022806962 /nfs/dbraw/zinc/80/69/62/1022806962.db2.gz SVGVNDWTMIBDAS-OAHLLOKOSA-N 1 0 355.429 2.949 20 10 FFCDRO COc1c(C)c(O[C@@H]2CCC[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218284568 1033087002 /nfs/dbraw/zinc/08/70/02/1033087002.db2.gz XYIGXDCFMIVUIZ-CYBMUJFWSA-N 1 0 351.402 2.910 20 10 FFCDRO CCC1(CNC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000752030281 1023028895 /nfs/dbraw/zinc/02/88/95/1023028895.db2.gz VYTPMLWEPFPNAJ-UHFFFAOYSA-N 1 0 374.529 2.697 20 10 FFCDRO COCc1noc(CN2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)n1 ZINC000188899403 1023160405 /nfs/dbraw/zinc/16/04/05/1023160405.db2.gz ZEDPIKMSDRIMRN-UHFFFAOYSA-N 1 0 374.485 2.671 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@H]2C1 ZINC001120035003 1023215605 /nfs/dbraw/zinc/21/56/05/1023215605.db2.gz MGYRLPACKFMMAS-QKNQBKEWSA-N 1 0 368.525 2.935 20 10 FFCDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076308492 1023279839 /nfs/dbraw/zinc/27/98/39/1023279839.db2.gz RNYYFFPEBGENDS-FQEVSTJZSA-N 1 0 359.514 2.696 20 10 FFCDRO OCCOC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753543587 1023350122 /nfs/dbraw/zinc/35/01/22/1023350122.db2.gz CLKPRFGZJHNKHV-UHFFFAOYSA-N 1 0 357.450 2.945 20 10 FFCDRO CC[N@H+](C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)C(C)C ZINC000754020907 1023416255 /nfs/dbraw/zinc/41/62/55/1023416255.db2.gz WWAOOQJWBIGRKV-AZUAARDMSA-N 1 0 363.546 2.545 20 10 FFCDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000754123183 1023428564 /nfs/dbraw/zinc/42/85/64/1023428564.db2.gz QNBTUNGMVGAXNE-NVXWUHKLSA-N 1 0 355.461 2.688 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[C@@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218401857 1033140332 /nfs/dbraw/zinc/14/03/32/1033140332.db2.gz IVAZQUHNQATGMX-YPMHNXCESA-N 1 0 351.402 2.995 20 10 FFCDRO Cc1cc(O[C@@H]2C[NH2+]CCC23CC3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218407731 1033141188 /nfs/dbraw/zinc/14/11/88/1033141188.db2.gz YVVZQXJMOMJSFU-QGZVFWFLSA-N 1 0 363.413 2.997 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000755996575 1023657102 /nfs/dbraw/zinc/65/71/02/1023657102.db2.gz RWQXWNSKNFKPTR-GOSISDBHSA-N 1 0 355.457 2.997 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC000756149060 1023673498 /nfs/dbraw/zinc/67/34/98/1023673498.db2.gz HVLWACCIXQNSFM-INIZCTEOSA-N 1 0 362.376 2.964 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000756149537 1023673607 /nfs/dbraw/zinc/67/36/07/1023673607.db2.gz LIQPMMBUTLDJAZ-HNNXBMFYSA-N 1 0 362.376 2.964 20 10 FFCDRO COC(=O)/C=C/c1ccc(N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000779429034 1023824280 /nfs/dbraw/zinc/82/42/80/1023824280.db2.gz NABYQWWDYXZJLN-IZPAUZPXSA-N 1 0 361.442 2.948 20 10 FFCDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C[N@@H+]2C1 ZINC001123484376 1023824646 /nfs/dbraw/zinc/82/46/46/1023824646.db2.gz SWTRGCZMLAWKAZ-LMNJBCLMSA-N 1 0 371.525 2.602 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4c(O)cccc4F)CC[N@@H+]3C2)n1 ZINC001137834404 1033169202 /nfs/dbraw/zinc/16/92/02/1033169202.db2.gz FKFOPJFQUXKFKY-ROUUACIJSA-N 1 0 371.456 2.710 20 10 FFCDRO Oc1cccc(F)c1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001137835386 1033172766 /nfs/dbraw/zinc/17/27/66/1033172766.db2.gz GGYJQMCZINMBQT-POZUXBRTSA-N 1 0 358.413 2.985 20 10 FFCDRO C[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779493212 1023936929 /nfs/dbraw/zinc/93/69/29/1023936929.db2.gz KKERYPYIVHRBRB-VQHVLOKHSA-N 1 0 353.422 2.502 20 10 FFCDRO Oc1cccc(F)c1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001137835385 1033173782 /nfs/dbraw/zinc/17/37/82/1033173782.db2.gz GGYJQMCZINMBQT-LSBZLQRGSA-N 1 0 358.413 2.985 20 10 FFCDRO O=C(CCCCC1CC[NH2+]CC1)NCc1ccc(N2CCOCC2)cc1 ZINC001121991545 1024243922 /nfs/dbraw/zinc/24/39/22/1024243922.db2.gz TYJWKQWKNWBVMW-UHFFFAOYSA-N 1 0 359.514 2.699 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000080141054 1024486977 /nfs/dbraw/zinc/48/69/77/1024486977.db2.gz TYVODSGGJMPXOL-UHFFFAOYSA-N 1 0 363.502 2.958 20 10 FFCDRO COCCC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000759159849 1024497475 /nfs/dbraw/zinc/49/74/75/1024497475.db2.gz BACBQOKOYLRBMS-UHFFFAOYSA-N 1 0 373.541 2.898 20 10 FFCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759173026 1024506332 /nfs/dbraw/zinc/50/63/32/1024506332.db2.gz LCNIGJDWPBCOFH-APWZRJJASA-N 1 0 363.458 2.869 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000193726955 1024648898 /nfs/dbraw/zinc/64/88/98/1024648898.db2.gz CQEWYCMHZQTIMG-UHFFFAOYSA-N 1 0 356.514 2.960 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(C[C@H]4C(=O)NC4CCC4)CC3)ccc21 ZINC001141141040 1025509578 /nfs/dbraw/zinc/50/95/78/1025509578.db2.gz OGLSMPKFYHAOFV-SFHVURJKSA-N 1 0 369.509 2.786 20 10 FFCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141143459 1025517168 /nfs/dbraw/zinc/51/71/68/1025517168.db2.gz ZRGPZRBFKVKEPE-UHFFFAOYSA-N 1 0 357.498 2.882 20 10 FFCDRO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)ncn1 ZINC001141145383 1025521087 /nfs/dbraw/zinc/52/10/87/1025521087.db2.gz BFKZQFYPKPDZJF-QGZVFWFLSA-N 1 0 354.454 2.657 20 10 FFCDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162713 1025545708 /nfs/dbraw/zinc/54/57/08/1025545708.db2.gz AXCVJNWXIWZMDG-UHFFFAOYSA-N 1 0 352.438 2.790 20 10 FFCDRO CC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000245903670 1025598734 /nfs/dbraw/zinc/59/87/34/1025598734.db2.gz LQSZRFWQAGPEPK-ARFHVFGLSA-N 1 0 365.493 2.786 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(C)C)cc1 ZINC000838529210 1026401330 /nfs/dbraw/zinc/40/13/30/1026401330.db2.gz MENAHJCOCAWNMP-INIZCTEOSA-N 1 0 362.518 2.835 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)c1O ZINC000839198868 1026619022 /nfs/dbraw/zinc/61/90/22/1026619022.db2.gz VZKAOHBYDZTUIF-UHFFFAOYSA-N 1 0 360.429 2.504 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001141706364 1026842166 /nfs/dbraw/zinc/84/21/66/1026842166.db2.gz DHUMTBVEAQBGHV-UHFFFAOYSA-N 1 0 358.438 3.000 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000840261290 1027024994 /nfs/dbraw/zinc/02/49/94/1027024994.db2.gz MLCODNAEXDFQIJ-PWIZWCRZSA-N 1 0 358.530 2.918 20 10 FFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000092506639 1027351470 /nfs/dbraw/zinc/35/14/70/1027351470.db2.gz BPALPLNZQNTDNT-JQVVWYNYSA-N 1 0 373.541 2.597 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161534394 1028218023 /nfs/dbraw/zinc/21/80/23/1028218023.db2.gz LJRDTNUKLARCHW-ZIAGYGMSSA-N 1 0 371.403 2.751 20 10 FFCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532154 1028219041 /nfs/dbraw/zinc/21/90/41/1028219041.db2.gz OCRRGSZYBIVOMM-CJNGLKHVSA-N 1 0 371.403 2.622 20 10 FFCDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001162887710 1028696154 /nfs/dbraw/zinc/69/61/54/1028696154.db2.gz UQCCXCOIFQQGEJ-LJQANCHMSA-N 1 0 357.410 2.550 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(OC4COC4)cc3)cc2)CC1 ZINC000780581399 1028738954 /nfs/dbraw/zinc/73/89/54/1028738954.db2.gz UCEHVEPWKLZYAT-UHFFFAOYSA-N 1 0 353.466 2.828 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc4[nH]cnc4n3)CC2)cc1 ZINC001164327007 1029245731 /nfs/dbraw/zinc/24/57/31/1029245731.db2.gz AQUSGVRIPGYDSE-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO COC(=O)c1c(Cl)ccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655789 1029291625 /nfs/dbraw/zinc/29/16/25/1029291625.db2.gz KFOOQFFQZXHGAI-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000840943193 1029938688 /nfs/dbraw/zinc/93/86/88/1029938688.db2.gz LKMNRGCHLPRIFY-IBGZPJMESA-N 1 0 367.493 2.831 20 10 FFCDRO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840956375 1029943999 /nfs/dbraw/zinc/94/39/99/1029943999.db2.gz SGINWZSMYQOYNU-NQIIRXRSSA-N 1 0 356.441 2.970 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000840958312 1029944374 /nfs/dbraw/zinc/94/43/74/1029944374.db2.gz PACCLWCOTRAUCW-FGZHOGPDSA-N 1 0 351.494 2.746 20 10 FFCDRO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840956374 1029944859 /nfs/dbraw/zinc/94/48/59/1029944859.db2.gz SGINWZSMYQOYNU-GHTZIAJQSA-N 1 0 356.441 2.970 20 10 FFCDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841046187 1029999980 /nfs/dbraw/zinc/99/99/80/1029999980.db2.gz XMWWPAJYONQTEW-YWZLYKJASA-N 1 0 370.497 2.768 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000841103487 1030040055 /nfs/dbraw/zinc/04/00/55/1030040055.db2.gz WUDQCONBVYPOLI-UHFFFAOYSA-N 1 0 369.465 2.879 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](CC(C)C)OC)cc2F)CC1 ZINC000841110162 1030045637 /nfs/dbraw/zinc/04/56/37/1030045637.db2.gz SMOSAJUCTDDPQP-IBGZPJMESA-N 1 0 365.493 2.645 20 10 FFCDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841139422 1030067567 /nfs/dbraw/zinc/06/75/67/1030067567.db2.gz SCRUHWHSGHIEAX-UHFFFAOYSA-N 1 0 360.502 2.566 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccccc3O)CC2)cc1 ZINC000783504720 1030127212 /nfs/dbraw/zinc/12/72/12/1030127212.db2.gz JQECIRKFRIKPAS-QGZVFWFLSA-N 1 0 355.482 2.874 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841710170 1030421962 /nfs/dbraw/zinc/42/19/62/1030421962.db2.gz UCWCXYMKCSFXLT-OAQYLSRUSA-N 1 0 364.493 2.973 20 10 FFCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742336 1030440064 /nfs/dbraw/zinc/44/00/64/1030440064.db2.gz WJZYGMDYOMZWNK-QFBILLFUSA-N 1 0 362.518 2.599 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1F ZINC000841759835 1030448335 /nfs/dbraw/zinc/44/83/35/1030448335.db2.gz ITLRDOLMUJZDTK-WMZOPIPTSA-N 1 0 362.493 2.955 20 10 FFCDRO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(F)c(F)cc4[O-])C[C@H]3O2)n1 ZINC001142512924 1030561670 /nfs/dbraw/zinc/56/16/70/1030561670.db2.gz PXCIIXJCFSCHPZ-AMKSKSKJSA-N 1 0 351.353 2.714 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001203556425 1030762407 /nfs/dbraw/zinc/76/24/07/1030762407.db2.gz PLOAJKQEOOWHMZ-SFHVURJKSA-N 1 0 360.408 2.920 20 10 FFCDRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccccc1O ZINC001203552668 1030762538 /nfs/dbraw/zinc/76/25/38/1030762538.db2.gz PQZLSBREOQPCAQ-OAQYLSRUSA-N 1 0 351.450 2.944 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccccc1O)C2 ZINC001203552397 1030764599 /nfs/dbraw/zinc/76/45/99/1030764599.db2.gz MHBWBUMUIXEEIO-NRFANRHFSA-N 1 0 351.450 2.802 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1O ZINC001203593872 1030779148 /nfs/dbraw/zinc/77/91/48/1030779148.db2.gz QXTXEJSAQYFAGS-UHFFFAOYSA-N 1 0 352.438 2.853 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1O ZINC001203601850 1030780503 /nfs/dbraw/zinc/78/05/03/1030780503.db2.gz NSCBPSKPIBLJSL-QGZVFWFLSA-N 1 0 358.413 2.934 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001203608487 1030782561 /nfs/dbraw/zinc/78/25/61/1030782561.db2.gz RAGJIUKVDCLHFX-XMSQKQJNSA-N 1 0 366.461 2.897 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c1O ZINC001203608634 1030784035 /nfs/dbraw/zinc/78/40/35/1030784035.db2.gz WVVYWQMQSGVDIG-UHFFFAOYSA-N 1 0 357.454 2.969 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ncc(OC)cn3)CC2)c1O ZINC001203616912 1030785667 /nfs/dbraw/zinc/78/56/67/1030785667.db2.gz ADAJRDFJPWGRCW-UHFFFAOYSA-N 1 0 359.426 2.633 20 10 FFCDRO COc1ccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001203628838 1030795685 /nfs/dbraw/zinc/79/56/85/1030795685.db2.gz GTLQDQXTPJRQLG-GHTZIAJQSA-N 1 0 360.498 2.724 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)c(O)c1 ZINC001203630380 1030796026 /nfs/dbraw/zinc/79/60/26/1030796026.db2.gz RFYUDAKYJAYNJJ-ICSRJNTNSA-N 1 0 366.461 2.800 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001203671545 1030816155 /nfs/dbraw/zinc/81/61/55/1030816155.db2.gz RBESBSXGFQEGAN-IBGZPJMESA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001203669775 1030817381 /nfs/dbraw/zinc/81/73/81/1030817381.db2.gz DIXYXKMLOPDYFS-OAQYLSRUSA-N 1 0 369.465 2.667 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1cc(C)ccc1O)Cc1ccc(OC)c(F)c1 ZINC000842718292 1030921576 /nfs/dbraw/zinc/92/15/76/1030921576.db2.gz LHKQWOYDRMCHAC-MRXNPFEDSA-N 1 0 360.429 2.543 20 10 FFCDRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877361 1030949436 /nfs/dbraw/zinc/94/94/36/1030949436.db2.gz DXWXIRSNKSMMBR-OAQYLSRUSA-N 1 0 370.424 2.862 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)cc1 ZINC001203939036 1030996755 /nfs/dbraw/zinc/99/67/55/1030996755.db2.gz JNLFYDZCVPUZPM-UHFFFAOYSA-N 1 0 371.525 2.936 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2cnn(CC3CC3)c21 ZINC001204273398 1031199536 /nfs/dbraw/zinc/19/95/36/1031199536.db2.gz BMAIXCAYBITRJL-KRWDZBQOSA-N 1 0 357.454 2.840 20 10 FFCDRO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCCC5)cc4)C[C@H]3O2)n1 ZINC001204322169 1031226028 /nfs/dbraw/zinc/22/60/28/1031226028.db2.gz ISOKXWXBWYHNES-YSIASYRMSA-N 1 0 368.481 2.810 20 10 FFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1)C1CCOCC1 ZINC001204329075 1031228424 /nfs/dbraw/zinc/22/84/24/1031228424.db2.gz FDSOWLFUYHBGTA-HXUWFJFHSA-N 1 0 371.525 2.794 20 10 FFCDRO COc1cc(Br)cc(CN2CCc3c(=O)[nH]ccc3C2)c1O ZINC001204342762 1031237897 /nfs/dbraw/zinc/23/78/97/1031237897.db2.gz WDMICCVLJFCEQF-UHFFFAOYSA-N 1 0 365.227 2.822 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1O ZINC001204341582 1031238335 /nfs/dbraw/zinc/23/83/35/1031238335.db2.gz HGHKSMNCDDSUPZ-INIZCTEOSA-N 1 0 370.243 2.835 20 10 FFCDRO CC(=O)NCc1ncn2c1C[N@H+](Cc1cccc(C(C)(C)C)c1O)CCC2 ZINC001143108936 1031238321 /nfs/dbraw/zinc/23/83/21/1031238321.db2.gz ZQAOVSFWFBOYID-UHFFFAOYSA-N 1 0 370.497 2.928 20 10 FFCDRO Cc1cc(C(=O)CN(C)C2CC[NH2+]CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843347127 1031338933 /nfs/dbraw/zinc/33/89/33/1031338933.db2.gz RZDQVAUAFORKLH-UHFFFAOYSA-N 1 0 369.465 2.689 20 10 FFCDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350524 1031343106 /nfs/dbraw/zinc/34/31/06/1031343106.db2.gz UGBSQVLMGNIXSR-CYBMUJFWSA-N 1 0 354.410 2.833 20 10 FFCDRO COc1cccc(CN(C)C(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349556 1031343398 /nfs/dbraw/zinc/34/33/98/1031343398.db2.gz DAOMIXOVWIGBAS-UHFFFAOYSA-N 1 0 353.466 2.565 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1O ZINC000843409795 1031384817 /nfs/dbraw/zinc/38/48/17/1031384817.db2.gz VYTZOXJKMXAZIZ-QGZVFWFLSA-N 1 0 356.422 2.902 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc4nonc43)CC2)cc1 ZINC001203137105 1031407088 /nfs/dbraw/zinc/40/70/88/1031407088.db2.gz AELLHAGEJXCRSR-UHFFFAOYSA-N 1 0 368.437 2.570 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OC3CCCC3)CC2)cc1 ZINC000829797424 1033342882 /nfs/dbraw/zinc/34/28/82/1033342882.db2.gz GBHACJNRLSXLME-UHFFFAOYSA-N 1 0 361.486 2.876 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000830954000 1033876707 /nfs/dbraw/zinc/87/67/07/1033876707.db2.gz QHDIHTNOLFNPEK-NJDAHSKKSA-N 1 0 373.541 2.727 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138252413 1034021807 /nfs/dbraw/zinc/02/18/07/1034021807.db2.gz GMLWCABNYZVMKR-HZPDHXFCSA-N 1 0 373.497 2.947 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC1(F)F ZINC001138338964 1034168332 /nfs/dbraw/zinc/16/83/32/1034168332.db2.gz XYPBPGMTFYNJTM-OAHLLOKOSA-N 1 0 352.425 2.541 20 10 FFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339157 1034171103 /nfs/dbraw/zinc/17/11/03/1034171103.db2.gz ASEGIKHBRSJGKO-NRFANRHFSA-N 1 0 358.482 2.866 20 10 FFCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341274 1034172146 /nfs/dbraw/zinc/17/21/46/1034172146.db2.gz VJRGZNSQTBMUPV-JOCHJYFZSA-N 1 0 369.509 2.678 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)O1 ZINC001138340928 1034172779 /nfs/dbraw/zinc/17/27/79/1034172779.db2.gz BZXIJJCBUXFIPO-NRFANRHFSA-N 1 0 356.466 2.763 20 10 FFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277026728 1034173449 /nfs/dbraw/zinc/17/34/49/1034173449.db2.gz UVTOJKMTBIUIGQ-FQEVSTJZSA-N 1 0 364.461 2.833 20 10 FFCDRO CN1CCCc2cc(C[N@H+]3C[C@H]4CN(C(=O)c5ccco5)C[C@H]4C3)ccc21 ZINC001138356730 1034193067 /nfs/dbraw/zinc/19/30/67/1034193067.db2.gz MPVYVSOUDISLRY-KDURUIRLSA-N 1 0 365.477 2.866 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2ncc[nH]2)cc1C ZINC001225961512 1034469620 /nfs/dbraw/zinc/46/96/20/1034469620.db2.gz PTDRTHWRCLPFCS-QZTJIDSGSA-N 1 0 370.497 2.877 20 10 FFCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676336 1034536097 /nfs/dbraw/zinc/53/60/97/1034536097.db2.gz FIXAJNITXRMKKQ-HIFRSBDPSA-N 1 0 369.303 2.631 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000832271991 1034694559 /nfs/dbraw/zinc/69/45/59/1034694559.db2.gz BLELKVMWMITQIW-SOLBZPMBSA-N 1 0 359.420 2.951 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCOc2cccc(F)c2)cc1 ZINC000832278229 1034697128 /nfs/dbraw/zinc/69/71/28/1034697128.db2.gz BYJXWPKNUMDIOC-LJQANCHMSA-N 1 0 359.445 2.867 20 10 FFCDRO Oc1c(O)c(O)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(O)c1O ZINC001226469799 1034698652 /nfs/dbraw/zinc/69/86/52/1034698652.db2.gz XLIJYRQCMXNIHS-WDNDVIMCSA-N 1 0 373.405 2.789 20 10 FFCDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1C ZINC000832286029 1034702224 /nfs/dbraw/zinc/70/22/24/1034702224.db2.gz VOPANODZAZWCII-KRWDZBQOSA-N 1 0 357.454 2.508 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000832292991 1034706308 /nfs/dbraw/zinc/70/63/08/1034706308.db2.gz OSTSGOFVSPJJDU-MAUKXSAKSA-N 1 0 373.884 2.773 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)c1 ZINC001221413296 1034723798 /nfs/dbraw/zinc/72/37/98/1034723798.db2.gz JQSRPHYXMBCKSG-HXUWFJFHSA-N 1 0 353.466 2.918 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(Oc4ccccc4F)C3)cc2)CC1 ZINC001139413437 1035097171 /nfs/dbraw/zinc/09/71/71/1035097171.db2.gz UPEYIAWLWOIJHE-UHFFFAOYSA-N 1 0 355.457 2.841 20 10 FFCDRO Cc1cc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)ccc1N(C)C ZINC001139672517 1035194112 /nfs/dbraw/zinc/19/41/12/1035194112.db2.gz XREYSDFBLDKSQS-UHFFFAOYSA-N 1 0 353.514 2.869 20 10 FFCDRO COC[C@H]1CN(Cc2c(O)cccc2Br)Cc2cn(C)nc21 ZINC001140100503 1035342242 /nfs/dbraw/zinc/34/22/42/1035342242.db2.gz RSWFHPWSHZYOMB-GFCCVEGCSA-N 1 0 366.259 2.634 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+](C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001140128195 1035351052 /nfs/dbraw/zinc/35/10/52/1035351052.db2.gz SUAKHLXPCSXNNH-SFHVURJKSA-N 1 0 357.498 2.870 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001140178938 1035369953 /nfs/dbraw/zinc/36/99/53/1035369953.db2.gz DHVFPAZPUAGDOJ-DENIHFKCSA-N 1 0 365.477 2.932 20 10 FFCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1-c1ccccc1 ZINC000834478438 1035394760 /nfs/dbraw/zinc/39/47/60/1035394760.db2.gz DZGXRWJDPMHOHB-UHFFFAOYSA-N 1 0 362.481 2.940 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834566095 1035407897 /nfs/dbraw/zinc/40/78/97/1035407897.db2.gz BUQKCQFIMGKEQB-GOSISDBHSA-N 1 0 374.506 2.997 20 10 FFCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140288416 1035420025 /nfs/dbraw/zinc/42/00/25/1035420025.db2.gz RYPZUDWUFBOZEN-SFHVURJKSA-N 1 0 360.498 2.813 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)c1 ZINC000834676352 1035427643 /nfs/dbraw/zinc/42/76/43/1035427643.db2.gz SAWXNWMSAPHRCD-ROUUACIJSA-N 1 0 368.433 2.792 20 10 FFCDRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345540 1035447124 /nfs/dbraw/zinc/44/71/24/1035447124.db2.gz WERWCBCEXKECSB-JXFKEZNVSA-N 1 0 371.868 2.969 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)Nc3cccnc3C)CC2)cc1 ZINC000834910051 1035473469 /nfs/dbraw/zinc/47/34/69/1035473469.db2.gz FBPXFHQOSIDOQW-INIZCTEOSA-N 1 0 368.481 2.984 20 10 FFCDRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465596 1035485753 /nfs/dbraw/zinc/48/57/53/1035485753.db2.gz QUAFWMRINSTONL-FXAWDEMLSA-N 1 0 371.868 2.969 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203260 1035499227 /nfs/dbraw/zinc/49/92/27/1035499227.db2.gz RHGYJJBYBOVUPV-ZBFHGGJFSA-N 1 0 366.889 2.808 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001277204387 1035526362 /nfs/dbraw/zinc/52/63/62/1035526362.db2.gz IOXQSKLQDQWKJY-HNNXBMFYSA-N 1 0 352.425 2.992 20 10 FFCDRO O=C(c1ccccc1)N1C[C@H]2C[NH+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232257248 1035528008 /nfs/dbraw/zinc/52/80/08/1035528008.db2.gz ARLPEHNAAIPGCI-HZPDHXFCSA-N 1 0 372.852 2.955 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC001232260415 1035531633 /nfs/dbraw/zinc/53/16/33/1035531633.db2.gz PXQIOWGJOJPHLY-CHWSQXEVSA-N 1 0 357.731 2.979 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)cc1Cl ZINC001232265635 1035538864 /nfs/dbraw/zinc/53/88/64/1035538864.db2.gz ZTUBYUIGLMVBEY-ZFWWWQNUSA-N 1 0 373.840 2.544 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CCN(C4COC4)C3=O)CC2)cc1Cl ZINC001277214435 1035581887 /nfs/dbraw/zinc/58/18/87/1035581887.db2.gz VDZDEAGIRAMWSM-UHFFFAOYSA-N 1 0 364.873 2.567 20 10 FFCDRO CCNC(=O)OC1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232404275 1035653928 /nfs/dbraw/zinc/65/39/28/1035653928.db2.gz QLIPMAHXMXOWFY-UHFFFAOYSA-N 1 0 373.453 2.675 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1 ZINC001140620044 1035744352 /nfs/dbraw/zinc/74/43/52/1035744352.db2.gz ANBPRYNNUHVTDI-SFHVURJKSA-N 1 0 358.482 2.552 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1 ZINC001140620043 1035746127 /nfs/dbraw/zinc/74/61/27/1035746127.db2.gz ANBPRYNNUHVTDI-GOSISDBHSA-N 1 0 358.482 2.552 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001232836891 1036090590 /nfs/dbraw/zinc/09/05/90/1036090590.db2.gz VSWCBBNTHZVOOV-CABCVRRESA-N 1 0 350.356 2.686 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c(O)c1 ZINC001232838651 1036092942 /nfs/dbraw/zinc/09/29/42/1036092942.db2.gz SKZPGERBVQPANT-YOEHRIQHSA-N 1 0 357.479 2.615 20 10 FFCDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232839906 1036093579 /nfs/dbraw/zinc/09/35/79/1036093579.db2.gz YCNUFEWTURSVHF-UGKGYDQZSA-N 1 0 373.541 2.639 20 10 FFCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(N(C)C)cc3O)O2)n1 ZINC001232838549 1036095017 /nfs/dbraw/zinc/09/50/17/1036095017.db2.gz LEIZDVGQCMXELV-KBAYOESNSA-N 1 0 358.442 2.644 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(O)c1 ZINC001232841143 1036096966 /nfs/dbraw/zinc/09/69/66/1036096966.db2.gz USEHICXJSWCTSS-UHFFFAOYSA-N 1 0 367.493 2.735 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1c1ccccc1 ZINC001232841587 1036098418 /nfs/dbraw/zinc/09/84/18/1036098418.db2.gz KYTXILCLEYYHIV-MOPGFXCFSA-N 1 0 354.450 2.847 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001232978225 1036212226 /nfs/dbraw/zinc/21/22/26/1036212226.db2.gz CUATWUOZHWHHJJ-RISCZKNCSA-N 1 0 359.207 2.608 20 10 FFCDRO CN(CC[NH+]1CCCC1)Cc1ccc(I)cc1O ZINC001232980565 1036216346 /nfs/dbraw/zinc/21/63/46/1036216346.db2.gz SIAKGBIETGETRE-UHFFFAOYSA-N 1 0 360.239 2.524 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@]1(C)CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010784 1036242381 /nfs/dbraw/zinc/24/23/81/1036242381.db2.gz UFHHPTAIUOXLFL-SFHVURJKSA-N 1 0 352.431 2.683 20 10 FFCDRO COC(=O)c1ccc(C2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)cc1 ZINC001233013250 1036245066 /nfs/dbraw/zinc/24/50/66/1036245066.db2.gz ODUHJQKTEXVJQX-UHFFFAOYSA-N 1 0 357.406 2.970 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233015253 1036252014 /nfs/dbraw/zinc/25/20/14/1036252014.db2.gz GQCAVEKRRIYJIY-MELADBBJSA-N 1 0 364.442 2.539 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(O)c(O)c(O)c2)C2CC2)C1 ZINC001233014964 1036252269 /nfs/dbraw/zinc/25/22/69/1036252269.db2.gz CMAJRVFCBFTIMK-CQSZACIVSA-N 1 0 364.442 2.777 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140855431 1036292709 /nfs/dbraw/zinc/29/27/09/1036292709.db2.gz YOURFBGTTFNBLA-QGZVFWFLSA-N 1 0 362.470 2.583 20 10 FFCDRO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001233074281 1036318717 /nfs/dbraw/zinc/31/87/17/1036318717.db2.gz IFROTMWHMXBGSG-OXQOHEQNSA-N 1 0 366.452 2.851 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1O ZINC001233110708 1036355577 /nfs/dbraw/zinc/35/55/77/1036355577.db2.gz IKLNYEHYUGUXEN-AWEZNQCLSA-N 1 0 353.260 2.660 20 10 FFCDRO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000836256809 1036366437 /nfs/dbraw/zinc/36/64/37/1036366437.db2.gz UXXAXOLANJTVMJ-KRWDZBQOSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)cc1Br ZINC001233141005 1036388557 /nfs/dbraw/zinc/38/85/57/1036388557.db2.gz BQHCMPMGVZAFSR-UHFFFAOYSA-N 1 0 370.243 2.692 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c2ccccc2n1C ZINC001233273652 1036480203 /nfs/dbraw/zinc/48/02/03/1036480203.db2.gz LYFBLLVKPMNDKY-HNNXBMFYSA-N 1 0 369.465 2.552 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c1O ZINC001233287979 1036493226 /nfs/dbraw/zinc/49/32/26/1036493226.db2.gz PWMDYNMBORWOEG-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c(O)c1 ZINC001140950068 1036545168 /nfs/dbraw/zinc/54/51/68/1036545168.db2.gz LOJOCIWZZDZYIE-GOSISDBHSA-N 1 0 358.482 2.552 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c(O)c1 ZINC001140951977 1036557703 /nfs/dbraw/zinc/55/77/03/1036557703.db2.gz AJZSSLDGWVFALE-PKOBYXMFSA-N 1 0 354.425 2.930 20 10 FFCDRO C[C@H](F)CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000836482572 1036579616 /nfs/dbraw/zinc/57/96/16/1036579616.db2.gz UJBBGHKNSQIGSO-INIZCTEOSA-N 1 0 362.493 2.766 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001233454368 1036634168 /nfs/dbraw/zinc/63/41/68/1036634168.db2.gz SBWPGQONXGTYJW-UHFFFAOYSA-N 1 0 352.360 2.913 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC001141030641 1036776941 /nfs/dbraw/zinc/77/69/41/1036776941.db2.gz FDFSICFTOOKSON-UHFFFAOYSA-N 1 0 370.449 2.758 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(OC)c1 ZINC001141032077 1036780194 /nfs/dbraw/zinc/78/01/94/1036780194.db2.gz RCGLGQAQGFQWNA-UHFFFAOYSA-N 1 0 357.454 2.512 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)C1=O ZINC001277813529 1036793177 /nfs/dbraw/zinc/79/31/77/1036793177.db2.gz QGNDBUFPPKHWLA-JLTOFOAXSA-N 1 0 362.470 2.632 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)C1=O ZINC001277813530 1036794498 /nfs/dbraw/zinc/79/44/98/1036794498.db2.gz QGNDBUFPPKHWLA-VBKZILBWSA-N 1 0 362.470 2.632 20 10 FFCDRO C[C@@H](c1ccccn1)N1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948849 1036838003 /nfs/dbraw/zinc/83/80/03/1036838003.db2.gz OCWNFCOWCSIGGX-QWHCGFSZSA-N 1 0 352.394 2.650 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001203089009 1036856357 /nfs/dbraw/zinc/85/63/57/1036856357.db2.gz PMBLSGMXNPWGRF-FQEVSTJZSA-N 1 0 356.470 2.537 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N[C@@H](C)C(C)=O)CC2)c(O)c1 ZINC001277827670 1036893727 /nfs/dbraw/zinc/89/37/27/1036893727.db2.gz XNDFIMKIBPENDY-KBXCAEBGSA-N 1 0 358.482 2.650 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)CC[C@@H]21 ZINC001141078754 1036928560 /nfs/dbraw/zinc/92/85/60/1036928560.db2.gz HFKPYMCALGPZQM-UXHICEINSA-N 1 0 353.510 2.828 20 10 FFCDRO Cc1ccnc(N2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)n1 ZINC001141078681 1036930277 /nfs/dbraw/zinc/93/02/77/1036930277.db2.gz DWGITHQGWYLNNX-UHFFFAOYSA-N 1 0 363.509 2.806 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234994517 1037286282 /nfs/dbraw/zinc/28/62/82/1037286282.db2.gz XYTBUCSENLIHJQ-JOCHJYFZSA-N 1 0 374.573 2.936 20 10 FFCDRO Cc1cc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c(O)cc1Br ZINC001235014571 1037304127 /nfs/dbraw/zinc/30/41/27/1037304127.db2.gz HUOYVIKEYVEYTI-QGZVFWFLSA-N 1 0 369.303 2.665 20 10 FFCDRO CO[C@@H]1CCN(CCOc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001231266555 1037517889 /nfs/dbraw/zinc/51/78/89/1037517889.db2.gz XYUFNJNPGHNWLG-OAHLLOKOSA-N 1 0 351.402 2.562 20 10 FFCDRO COc1cnc(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)nc1 ZINC001235678523 1037676935 /nfs/dbraw/zinc/67/69/35/1037676935.db2.gz CBHDIHIEXJDAOS-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231557649 1037682930 /nfs/dbraw/zinc/68/29/30/1037682930.db2.gz VPCKMHMVZUUKJY-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO COC(=O)c1c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c2cc(F)ccc2n1C ZINC001207762850 1037704138 /nfs/dbraw/zinc/70/41/38/1037704138.db2.gz DHXXIQAUGHPBPL-YLJYHZDGSA-N 1 0 368.408 2.852 20 10 FFCDRO O=C(C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCC(=O)CC1 ZINC001231590328 1037706697 /nfs/dbraw/zinc/70/66/97/1037706697.db2.gz UJQXXDASXLOJDC-UHFFFAOYSA-N 1 0 366.461 2.949 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)nc1 ZINC001231590021 1037708290 /nfs/dbraw/zinc/70/82/90/1037708290.db2.gz YWQYFSDRVYOFSO-HNNXBMFYSA-N 1 0 351.406 2.997 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)c1O ZINC001231591754 1037710749 /nfs/dbraw/zinc/71/07/49/1037710749.db2.gz CFEHNAURWOQXAZ-FQEVSTJZSA-N 1 0 352.438 2.510 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)c1O ZINC001231592252 1037711741 /nfs/dbraw/zinc/71/17/41/1037711741.db2.gz HWINFVUYHYBQKT-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1O ZINC001231592454 1037712269 /nfs/dbraw/zinc/71/22/69/1037712269.db2.gz RFOMNKPKJVNAKZ-NRFANRHFSA-N 1 0 353.466 2.967 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)c(O)cc1O ZINC001231637005 1037757276 /nfs/dbraw/zinc/75/72/76/1037757276.db2.gz CUJUCNBXQNVTHZ-UHFFFAOYSA-N 1 0 369.421 2.733 20 10 FFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(OC)c(O)cc1O ZINC001231639704 1037762506 /nfs/dbraw/zinc/76/25/06/1037762506.db2.gz ZZNWSALTICUJEO-OAHLLOKOSA-N 1 0 369.458 2.677 20 10 FFCDRO COc1cccc(OC2CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)n1 ZINC001231639196 1037762856 /nfs/dbraw/zinc/76/28/56/1037762856.db2.gz FBMDBXSGNRZPKC-UHFFFAOYSA-N 1 0 360.410 2.553 20 10 FFCDRO CCCC[C@H]1CN(Cc2ccc(I)cc2O)CC[NH2+]1 ZINC001236138003 1037948536 /nfs/dbraw/zinc/94/85/36/1037948536.db2.gz OJBAAGZFCKNFBK-AWEZNQCLSA-N 1 0 374.266 2.961 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001231851722 1037949025 /nfs/dbraw/zinc/94/90/25/1037949025.db2.gz GOZMMLNBLOMODR-YJBOKZPZSA-N 1 0 371.506 2.918 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)CN1c1cncnc1 ZINC001231881954 1037974994 /nfs/dbraw/zinc/97/49/94/1037974994.db2.gz LOGKRDPDHLOZLI-JOCHJYFZSA-N 1 0 374.444 2.964 20 10 FFCDRO Oc1c(I)cccc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236240508 1038000312 /nfs/dbraw/zinc/00/03/12/1038000312.db2.gz MNSAHXKUSQSRQL-CYBMUJFWSA-N 1 0 372.250 2.713 20 10 FFCDRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(Cl)c2[O-])O1)N1CCCC1 ZINC001231911668 1038008912 /nfs/dbraw/zinc/00/89/12/1038008912.db2.gz ORUZKUNROJJCSS-ZACQAIPSSA-N 1 0 364.873 2.790 20 10 FFCDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001276553188 1038010627 /nfs/dbraw/zinc/01/06/27/1038010627.db2.gz MCYYKZIIGNZXFA-FQEVSTJZSA-N 1 0 362.470 2.664 20 10 FFCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(OC)c(Br)cc3O)C[C@H]2C1 ZINC001236750549 1038235176 /nfs/dbraw/zinc/23/51/76/1038235176.db2.gz JSYLGSIJCFOGQC-CHWSQXEVSA-N 1 0 355.276 2.547 20 10 FFCDRO Oc1cc(CN2CC[C@]3(C2)CC(F)(F)CO3)c(O)cc1Br ZINC001236762790 1038250775 /nfs/dbraw/zinc/25/07/75/1038250775.db2.gz RDUVFGQSYUIXBH-CYBMUJFWSA-N 1 0 364.186 2.860 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)[C@H]1C ZINC001236770264 1038254219 /nfs/dbraw/zinc/25/42/19/1038254219.db2.gz GAUVVJRHWXLTKC-GXSJLCMTSA-N 1 0 358.232 2.634 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(O)c1 ZINC001236787458 1038269055 /nfs/dbraw/zinc/26/90/55/1038269055.db2.gz VINVRRCZULYHKE-RBUKOAKNSA-N 1 0 351.450 2.725 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c(O)c1 ZINC001236788043 1038269284 /nfs/dbraw/zinc/26/92/84/1038269284.db2.gz QDNBUSKPBQUIEL-NQIIRXRSSA-N 1 0 360.498 2.565 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c(O)c1 ZINC001236788960 1038270788 /nfs/dbraw/zinc/27/07/88/1038270788.db2.gz XULKZBKFJCTJET-HXUWFJFHSA-N 1 0 359.470 2.542 20 10 FFCDRO CNC(=O)CN1CCCC12CC[NH+](Cc1cc3ccccc3cc1O)CC2 ZINC001236830508 1038296316 /nfs/dbraw/zinc/29/63/16/1038296316.db2.gz OXKYKKWJLOYPLY-UHFFFAOYSA-N 1 0 367.493 2.722 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3cc4ccccc4cc3O)C2)nc1 ZINC001236835174 1038297732 /nfs/dbraw/zinc/29/77/32/1038297732.db2.gz KCGDBLQQBVAFGP-KRWDZBQOSA-N 1 0 351.406 2.997 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001278023132 1038331342 /nfs/dbraw/zinc/33/13/42/1038331342.db2.gz LTJOOEPQIASNTC-GFCCVEGCSA-N 1 0 358.360 2.639 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001278025730 1038344263 /nfs/dbraw/zinc/34/42/63/1038344263.db2.gz YWRUBJBGYKFECK-SFHVURJKSA-N 1 0 370.852 2.646 20 10 FFCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1Cl)CC2 ZINC001236917838 1038355651 /nfs/dbraw/zinc/35/56/51/1038355651.db2.gz BMCRYCOKMVLWKW-UHFFFAOYSA-N 1 0 373.884 2.878 20 10 FFCDRO COCCCN(Cc1cc(C)cc(Br)c1O)[C@@H]1CC[NH2+]C1 ZINC001236944942 1038371828 /nfs/dbraw/zinc/37/18/28/1038371828.db2.gz FKIGVQSJZVATTL-CQSZACIVSA-N 1 0 357.292 2.664 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c1O ZINC001236983840 1038398288 /nfs/dbraw/zinc/39/82/88/1038398288.db2.gz WZJGROVGBOZWGG-LLVKDONJSA-N 1 0 353.182 2.799 20 10 FFCDRO CC[N@H+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3Br)C[C@H]2C1 ZINC001237067325 1038432594 /nfs/dbraw/zinc/43/25/94/1038432594.db2.gz IFTJGWCQZLABRE-TXEJJXNPSA-N 1 0 355.276 2.547 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(Br)c1 ZINC001237067436 1038433524 /nfs/dbraw/zinc/43/35/24/1038433524.db2.gz IVACUNMGECXPLW-PWSUYJOCSA-N 1 0 354.244 2.964 20 10 FFCDRO C[C@H]1c2cccn2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256232076 1038441279 /nfs/dbraw/zinc/44/12/79/1038441279.db2.gz JLBYIEFERNOLEX-OXJNMPFZSA-N 1 0 369.513 2.943 20 10 FFCDRO C[C@@H]1c2cccn2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256232078 1038441321 /nfs/dbraw/zinc/44/13/21/1038441321.db2.gz JLBYIEFERNOLEX-UZLBHIALSA-N 1 0 369.513 2.943 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC001237202699 1038474730 /nfs/dbraw/zinc/47/47/30/1038474730.db2.gz JSWNBSZRQGBBLD-FQEVSTJZSA-N 1 0 370.518 2.911 20 10 FFCDRO C[C@H]1C[C@H](NCC(=O)c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529599 1038547341 /nfs/dbraw/zinc/54/73/41/1038547341.db2.gz CTRUJNYGMDTRBI-MAUKXSAKSA-N 1 0 354.450 2.923 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720473811 1038555909 /nfs/dbraw/zinc/55/59/09/1038555909.db2.gz HPHHYKQSVKUDJQ-KGLIPLIRSA-N 1 0 357.317 2.824 20 10 FFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001257150057 1038725231 /nfs/dbraw/zinc/72/52/31/1038725231.db2.gz AHWCEHUOFHKPFL-ZDUSSCGKSA-N 1 0 357.406 2.678 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)cc1 ZINC001209517345 1038949732 /nfs/dbraw/zinc/94/97/32/1038949732.db2.gz BSMMMVJKENZWOJ-UHFFFAOYSA-N 1 0 367.493 2.917 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCC(F)(F)C(F)F ZINC001251622077 1039212026 /nfs/dbraw/zinc/21/20/26/1039212026.db2.gz JJNIMDPEZMSYOW-HNNXBMFYSA-N 1 0 364.383 2.654 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3cccc(C)c3O)CC2)C1=O ZINC001276683353 1039516729 /nfs/dbraw/zinc/51/67/29/1039516729.db2.gz LFZWSPJRTXVDAY-IERDGZPVSA-N 1 0 358.482 2.883 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3cccc(C)c3O)CC2)C1=O ZINC001276683352 1039516847 /nfs/dbraw/zinc/51/68/47/1039516847.db2.gz LFZWSPJRTXVDAY-HRAATJIYSA-N 1 0 358.482 2.883 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C4CCCC4)C3)C2)c1O ZINC001276684356 1039556512 /nfs/dbraw/zinc/55/65/12/1039556512.db2.gz XLSGBXSYPYZQDN-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO FC(F)(F)Oc1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246998493 1039569726 /nfs/dbraw/zinc/56/97/26/1039569726.db2.gz XPJRBCGYMQPNSS-MZBDJJRSSA-N 1 0 355.404 2.990 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]Cc2ccc(O)c(O)c2)cc1 ZINC001253436414 1040181765 /nfs/dbraw/zinc/18/17/65/1040181765.db2.gz RXBZHCJTWRBPOV-KRWDZBQOSA-N 1 0 373.449 2.703 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@](C)(O)C(=O)OCc2ccccc2)cc1 ZINC001253639459 1040275756 /nfs/dbraw/zinc/27/57/56/1040275756.db2.gz VKJSSOBPBDGESS-OAQYLSRUSA-N 1 0 356.466 2.679 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1CCC2(C[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001278745648 1040432872 /nfs/dbraw/zinc/43/28/72/1040432872.db2.gz FVDJZVZHHFRIEA-SFHVURJKSA-N 1 0 354.450 2.655 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001278746302 1040442216 /nfs/dbraw/zinc/44/22/16/1040442216.db2.gz RQQNVTHWVXPKOK-KFKAGJAMSA-N 1 0 354.450 2.653 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001254188863 1040605858 /nfs/dbraw/zinc/60/58/58/1040605858.db2.gz VONZKLJIFZGNEQ-WMLDXEAASA-N 1 0 366.458 2.510 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1O ZINC001249171139 1040614580 /nfs/dbraw/zinc/61/45/80/1040614580.db2.gz AFXKFXUBVHMMOW-UHFFFAOYSA-N 1 0 371.433 2.673 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC001249173255 1040615979 /nfs/dbraw/zinc/61/59/79/1040615979.db2.gz SIAGHNUHKWSNGB-LJQANCHMSA-N 1 0 354.450 2.596 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC001249173254 1040616465 /nfs/dbraw/zinc/61/64/65/1040616465.db2.gz SIAGHNUHKWSNGB-IBGZPJMESA-N 1 0 354.450 2.596 20 10 FFCDRO C[N@H+](Cc1cnc2n1CCN(C(=O)OC(C)(C)C)C2)Cc1ccccc1O ZINC001249436144 1040764712 /nfs/dbraw/zinc/76/47/12/1040764712.db2.gz KHYKPLTUWQMVGB-UHFFFAOYSA-N 1 0 372.469 2.971 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)c(O)cc1O ZINC001276705204 1040902595 /nfs/dbraw/zinc/90/25/95/1040902595.db2.gz MPLZCQHNJKVYFS-VLIAUNLRSA-N 1 0 362.470 2.862 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c(O)c1 ZINC001249726172 1040964169 /nfs/dbraw/zinc/96/41/69/1040964169.db2.gz XVWNSAVHAJKQJD-FQEVSTJZSA-N 1 0 365.470 2.851 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001249725499 1040965779 /nfs/dbraw/zinc/96/57/79/1040965779.db2.gz PCGCEMRRHIQCLL-MAUKXSAKSA-N 1 0 365.470 2.707 20 10 FFCDRO Cc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)cc1Br ZINC001250128982 1041124293 /nfs/dbraw/zinc/12/42/93/1041124293.db2.gz SNHZSDCHGITKOG-HNNXBMFYSA-N 1 0 369.303 2.760 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1cccc(F)c1 ZINC001250800159 1041371780 /nfs/dbraw/zinc/37/17/80/1041371780.db2.gz BZXIHPNZFNRTSC-FQEVSTJZSA-N 1 0 374.456 2.534 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2CN2CCOCC2)c1O ZINC001262109915 1041563460 /nfs/dbraw/zinc/56/34/60/1041563460.db2.gz KSPXBICAIZUQEN-UHFFFAOYSA-N 1 0 356.466 2.831 20 10 FFCDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)n1 ZINC001215885578 1041902665 /nfs/dbraw/zinc/90/26/65/1041902665.db2.gz GPOLINMKCTZHBT-SFHVURJKSA-N 1 0 371.485 2.889 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3ccc4n3CC[NH2+][C@@H]4C)CC2)cc1 ZINC001263099337 1042102901 /nfs/dbraw/zinc/10/29/01/1042102901.db2.gz HQMFNRAERYEMPK-OAHLLOKOSA-N 1 0 368.481 2.560 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001279149435 1042920401 /nfs/dbraw/zinc/92/04/01/1042920401.db2.gz AYFFZWHLQMNMFR-HXUWFJFHSA-N 1 0 351.494 2.919 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001279191914 1042940169 /nfs/dbraw/zinc/94/01/69/1042940169.db2.gz DHGHRAUMKGAGDS-KSSFIOAISA-N 1 0 357.429 2.525 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)NCC(F)(F)F)C[C@H]32)c1O ZINC001279234259 1042957856 /nfs/dbraw/zinc/95/78/56/1042957856.db2.gz CKXNIVSCRPOISR-DZGCQCFKSA-N 1 0 371.403 2.787 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCC3(CN(C(=O)NCC(F)(F)F)C3)C2)c1O ZINC001279290997 1042986333 /nfs/dbraw/zinc/98/63/33/1042986333.db2.gz VQUWCNWGAAHFOF-UHFFFAOYSA-N 1 0 371.403 2.870 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c(O)cc1O ZINC001279299289 1042989568 /nfs/dbraw/zinc/98/95/68/1042989568.db2.gz KEOODIQSMZCIJU-GXTWGEPZSA-N 1 0 374.403 2.955 20 10 FFCDRO COC1(CC(=O)N2CCC3(C[NH+](Cc4ccc(C)cc4O)C3)C2)CCC1 ZINC001279338015 1043010781 /nfs/dbraw/zinc/01/07/81/1043010781.db2.gz GCVDMKDAVSIVNH-UHFFFAOYSA-N 1 0 358.482 2.694 20 10 FFCDRO CC(C)(C)c1ccc(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)c(O)c1 ZINC001279394726 1043051348 /nfs/dbraw/zinc/05/13/48/1043051348.db2.gz CBEDANUIVRFKEY-UHFFFAOYSA-N 1 0 354.498 2.704 20 10 FFCDRO CCc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(C(=O)OC)c2)c(O)c1 ZINC001237456546 1043177211 /nfs/dbraw/zinc/17/72/11/1043177211.db2.gz RQLGRUQVTAJWFP-IBGZPJMESA-N 1 0 354.450 2.888 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001237489573 1043203807 /nfs/dbraw/zinc/20/38/07/1043203807.db2.gz ZOFXRHQBGBSKAZ-KRWDZBQOSA-N 1 0 351.450 2.734 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1O ZINC001279514774 1043211733 /nfs/dbraw/zinc/21/17/33/1043211733.db2.gz UFOPKINIJOPUFR-HXUWFJFHSA-N 1 0 357.454 2.620 20 10 FFCDRO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c(OC)c1 ZINC001237675186 1043303276 /nfs/dbraw/zinc/30/32/76/1043303276.db2.gz BDILHLMXDSSFRK-UHFFFAOYSA-N 1 0 359.422 2.985 20 10 FFCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237683062 1043309293 /nfs/dbraw/zinc/30/92/93/1043309293.db2.gz DVXFVNHFKQTYPM-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)cc1Br ZINC001237683134 1043309685 /nfs/dbraw/zinc/30/96/85/1043309685.db2.gz WTGHISPERFMBDH-UHFFFAOYSA-N 1 0 369.259 2.880 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c(O)c(OC)c1 ZINC001237683276 1043309730 /nfs/dbraw/zinc/30/97/30/1043309730.db2.gz GIUTYTDOYWBCKQ-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(C)c4O)C[C@H]3O2)n1 ZINC001237687052 1043313147 /nfs/dbraw/zinc/31/31/47/1043313147.db2.gz VYSJQSAKOWYCAV-APHBMKBZSA-N 1 0 363.845 2.877 20 10 FFCDRO CC[N@@H+]1CCCN(Cc2cccc(I)c2O)CC1 ZINC001237782025 1043355209 /nfs/dbraw/zinc/35/52/09/1043355209.db2.gz DMBSLQBSYBGEEA-UHFFFAOYSA-N 1 0 360.239 2.524 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c([O-])c1Cl ZINC001279665888 1043430468 /nfs/dbraw/zinc/43/04/68/1043430468.db2.gz SIDBTYMVEIYSSA-UHFFFAOYSA-N 1 0 367.921 2.514 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001238061454 1043509251 /nfs/dbraw/zinc/50/92/51/1043509251.db2.gz NDVRVBXXFFWMFN-FQEVSTJZSA-N 1 0 355.413 2.864 20 10 FFCDRO COC[C@H]1CN(Cc2cc(F)cc(C)c2O)CCN1C(=O)OC(C)(C)C ZINC001238063878 1043511196 /nfs/dbraw/zinc/51/11/96/1043511196.db2.gz MKEJXSSUMCZKFH-MRXNPFEDSA-N 1 0 368.449 2.907 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c1O ZINC001238069263 1043515419 /nfs/dbraw/zinc/51/54/19/1043515419.db2.gz XVIABKKVCBYFFX-UHFFFAOYSA-N 1 0 368.412 2.782 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NCC(F)F)C2)cc1 ZINC001279743499 1043572825 /nfs/dbraw/zinc/57/28/25/1043572825.db2.gz LTIXHNFOWJDOJQ-MRXNPFEDSA-N 1 0 351.441 2.736 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)NCC(F)F)C2)c1O ZINC001279978215 1044024597 /nfs/dbraw/zinc/02/45/97/1044024597.db2.gz YVJKBYDNHVZEFT-LIRRHRJNSA-N 1 0 368.424 2.774 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCC34CC4)C2)c1O ZINC001279980990 1044028223 /nfs/dbraw/zinc/02/82/23/1044028223.db2.gz FUBIFFPCXYVPKW-IIBYNOLFSA-N 1 0 356.466 2.768 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)cc1)N[C@@H]1CCCc2ccccc21 ZINC001239222680 1044075019 /nfs/dbraw/zinc/07/50/19/1044075019.db2.gz HOMODLXIAULCCE-OAQYLSRUSA-N 1 0 364.493 2.973 20 10 FFCDRO S=C(NCc1ccc(Cl)cc1)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239368520 1044105197 /nfs/dbraw/zinc/10/51/97/1044105197.db2.gz HDZICLZASYRLFQ-UHFFFAOYSA-N 1 0 374.941 2.914 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)N2CCCCO2)c(O)c1 ZINC001280046944 1044134395 /nfs/dbraw/zinc/13/43/95/1044134395.db2.gz SIXCBAODHATJJS-INIZCTEOSA-N 1 0 362.495 2.562 20 10 FFCDRO CSC1(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001312594325 1044141230 /nfs/dbraw/zinc/14/12/30/1044141230.db2.gz HMEAGCDWVLGFIV-KRWDZBQOSA-N 1 0 364.559 2.940 20 10 FFCDRO CCN(C(=O)C12CC([NH2+]Cc3c(O)cc(OC)cc3OC)(C1)C2)C(C)C ZINC001280059220 1044149593 /nfs/dbraw/zinc/14/95/93/1044149593.db2.gz STALRMHLLIMSJY-UHFFFAOYSA-N 1 0 362.470 2.679 20 10 FFCDRO CC[C@@H]1CO[C@H](C)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313409301 1044347862 /nfs/dbraw/zinc/34/78/62/1044347862.db2.gz CFPUDLKAJJZHMK-SUMDDJOVSA-N 1 0 362.518 2.564 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC001313420057 1044352848 /nfs/dbraw/zinc/35/28/48/1044352848.db2.gz WKXUNCFWNQCXSE-ZVDOUQERSA-N 1 0 374.529 2.612 20 10 FFCDRO CC[N@@H+]1CCN(c2nnc(C)n2CCCSc2nccs2)C[C@H]1C ZINC001313930782 1044444563 /nfs/dbraw/zinc/44/45/63/1044444563.db2.gz BUHMOIKRFQGANU-CYBMUJFWSA-N 1 0 366.560 2.756 20 10 FFCDRO O=C(NC1CCC(F)CC1)[C@@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001280292929 1044561576 /nfs/dbraw/zinc/56/15/76/1044561576.db2.gz PIHMRQSVAJPIIL-BCLQGDPASA-N 1 0 350.409 2.750 20 10 FFCDRO c1cn(Cc2ccccc2)c2ccnc(-c3cnc(N4CC[NH2+]CC4)nc3)c12 ZINC001241895573 1044630577 /nfs/dbraw/zinc/63/05/77/1044630577.db2.gz FXDLRKILOPPBSQ-UHFFFAOYSA-N 1 0 370.460 2.951 20 10 FFCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850252 1044674311 /nfs/dbraw/zinc/67/43/11/1044674311.db2.gz UURIKAQRSYDXGS-LSDHHAIUSA-N 1 0 362.474 2.978 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn2c1 ZINC001539235558 1070593961 /nfs/dbraw/zinc/59/39/61/1070593961.db2.gz LTAHDAZFFRYMKE-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318546963 1044740558 /nfs/dbraw/zinc/74/05/58/1044740558.db2.gz AYPBTJDJVUFIEA-CGBFIWBNSA-N 1 0 360.498 2.803 20 10 FFCDRO CC[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318548407 1044741517 /nfs/dbraw/zinc/74/15/17/1044741517.db2.gz LFNSBWNXPAEXMA-DSKINZAPSA-N 1 0 360.498 2.947 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cncc(C(=O)OC)c2)n1C ZINC001243142668 1044881164 /nfs/dbraw/zinc/88/11/64/1044881164.db2.gz AKZKKGOLUBXSJR-UHFFFAOYSA-N 1 0 353.378 2.907 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC(c4cn[nH]c4)CC3)cc2F)CC1 ZINC001319700845 1045243952 /nfs/dbraw/zinc/24/39/52/1045243952.db2.gz REGKPSAWPRZNLY-UHFFFAOYSA-N 1 0 357.477 2.680 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCc4ccc(O)cc4CC3)cc2F)CC1 ZINC001319701067 1045244436 /nfs/dbraw/zinc/24/44/36/1045244436.db2.gz BAGWHISKAORPTP-UHFFFAOYSA-N 1 0 369.484 2.884 20 10 FFCDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318352427 1045278295 /nfs/dbraw/zinc/27/82/95/1045278295.db2.gz FRQRPPSUMGWHAO-MRXNPFEDSA-N 1 0 359.493 2.508 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)C)cc1C ZINC001319927459 1045304847 /nfs/dbraw/zinc/30/48/47/1045304847.db2.gz GASZOSHJFSNSEP-TYIKBYNUSA-N 1 0 372.509 2.657 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4ccc([N+](=O)[O-])cc4C3)cc2)CC1 ZINC001320068005 1045341909 /nfs/dbraw/zinc/34/19/09/1045341909.db2.gz OXUAIPJBURWBBF-UHFFFAOYSA-N 1 0 366.465 2.905 20 10 FFCDRO CCCc1n[nH]cc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001320379980 1045399009 /nfs/dbraw/zinc/39/90/09/1045399009.db2.gz IGNHGOZSTJCMGI-UHFFFAOYSA-N 1 0 373.476 2.573 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3cccnc3n2)[NH+](C)C)cc1 ZINC001539708104 1070685240 /nfs/dbraw/zinc/68/52/40/1070685240.db2.gz XBAZMWORALMWGX-LJQANCHMSA-N 1 0 363.465 2.729 20 10 FFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC001321979960 1045900882 /nfs/dbraw/zinc/90/08/82/1045900882.db2.gz MXMSWTKBHXMXHE-KBPBESRZSA-N 1 0 370.291 2.827 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCN3CCCC(C)(C)C3)cc2F)CC1 ZINC001322017436 1045916977 /nfs/dbraw/zinc/91/69/77/1045916977.db2.gz IWCGMVIPOAGJNT-UHFFFAOYSA-N 1 0 362.537 2.789 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=[NH2+])Nc3ccccc3C)CC2)cc1 ZINC001327255125 1047258351 /nfs/dbraw/zinc/25/83/51/1047258351.db2.gz JENZLHUFHFRDRF-UHFFFAOYSA-N 1 0 367.497 2.762 20 10 FFCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001288334587 1047449081 /nfs/dbraw/zinc/44/90/81/1047449081.db2.gz LEMUNSYWSHXHML-NRFANRHFSA-N 1 0 367.493 2.832 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H](CO)C3CCCCC3)cc2F)CC1 ZINC001327815768 1048052866 /nfs/dbraw/zinc/05/28/66/1048052866.db2.gz BSGGQWCNRNPWFJ-IBGZPJMESA-N 1 0 363.521 2.856 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(CCC(=O)[O-])c3)cc2)CC1 ZINC001331844960 1048138018 /nfs/dbraw/zinc/13/80/18/1048138018.db2.gz DNTVEPIESZNHNW-UHFFFAOYSA-N 1 0 367.493 2.745 20 10 FFCDRO CN1CCN(c2ccc(CN3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC001332340034 1048354158 /nfs/dbraw/zinc/35/41/58/1048354158.db2.gz UYXUBOWWYRWWMT-FPOVZHCZSA-N 1 0 360.521 2.684 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC001328593875 1048372809 /nfs/dbraw/zinc/37/28/09/1048372809.db2.gz OXMOFWDVDXGDFQ-DAYGRLMNSA-N 1 0 363.477 2.588 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001330532041 1049193338 /nfs/dbraw/zinc/19/33/38/1049193338.db2.gz BHVIWAYZDPOXJC-GOSISDBHSA-N 1 0 363.502 2.604 20 10 FFCDRO CC(C)(C[NH3+])CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001340106384 1050512956 /nfs/dbraw/zinc/51/29/56/1050512956.db2.gz SWBDGVXRYPTXFB-CYBMUJFWSA-N 1 0 355.429 2.748 20 10 FFCDRO C[NH2+]CCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001340235681 1050642745 /nfs/dbraw/zinc/64/27/45/1050642745.db2.gz WRINQSBCARFHBS-AWEZNQCLSA-N 1 0 355.429 2.763 20 10 FFCDRO CCn1c(C2SC=CC2=O)nnc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001340902362 1051230607 /nfs/dbraw/zinc/23/06/07/1051230607.db2.gz IKWBPNKYRRIFCV-ZDUSSCGKSA-N 1 0 370.482 2.842 20 10 FFCDRO CC1(C)OC[C@H](C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)O1 ZINC001342916738 1051526486 /nfs/dbraw/zinc/52/64/86/1051526486.db2.gz YDUZOFCJJDVUMY-INIZCTEOSA-N 1 0 356.413 2.998 20 10 FFCDRO Cc1ccn2ncc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2c1 ZINC001304767407 1051689745 /nfs/dbraw/zinc/68/97/45/1051689745.db2.gz GLEMNHNZTBFTMP-FQEVSTJZSA-N 1 0 365.481 2.741 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])cs2)cc1 ZINC001341334452 1051690746 /nfs/dbraw/zinc/69/07/46/1051690746.db2.gz FVKFXRPSADEZCZ-KUHUBIRLSA-N 1 0 356.495 2.660 20 10 FFCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC001308227665 1052433787 /nfs/dbraw/zinc/43/37/87/1052433787.db2.gz ODCFDWJREDTTCE-FQEVSTJZSA-N 1 0 361.555 2.584 20 10 FFCDRO COc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1Cn1cccn1 ZINC001308298280 1052443275 /nfs/dbraw/zinc/44/32/75/1052443275.db2.gz QKPVYNFKMZREDS-UHFFFAOYSA-N 1 0 372.469 2.649 20 10 FFCDRO CCn1cnnc1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000754350887 1052462108 /nfs/dbraw/zinc/46/21/08/1052462108.db2.gz XRONDXRPRGNHSW-UHFFFAOYSA-N 1 0 358.446 2.529 20 10 FFCDRO CC[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC001345781367 1052610399 /nfs/dbraw/zinc/61/03/99/1052610399.db2.gz SXHMKVPFPFBEAB-IFXJQAMLSA-N 1 0 367.440 2.763 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3ccc(N4CCCC4)cc3)C2)c1Cl ZINC001335133036 1053228638 /nfs/dbraw/zinc/22/86/38/1053228638.db2.gz BYLPHEVQTXFZHR-HNNXBMFYSA-N 1 0 373.888 2.804 20 10 FFCDRO O=C(N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001346699370 1053234276 /nfs/dbraw/zinc/23/42/76/1053234276.db2.gz HIBBUYSDABZMIM-LAUBAEHRSA-N 1 0 365.433 2.673 20 10 FFCDRO CN(C)c1cc(F)c(CN[C@@H]2CCCN(c3cccnc3)C2=O)cc1F ZINC001335154466 1053237758 /nfs/dbraw/zinc/23/77/58/1053237758.db2.gz BSOWAPYQWWBPNR-QGZVFWFLSA-N 1 0 360.408 2.711 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)COCc3cccs3)C2)cc1 ZINC001335458877 1053376634 /nfs/dbraw/zinc/37/66/34/1053376634.db2.gz DFWULWQYFNNRDM-RDJZCZTQSA-N 1 0 362.495 2.503 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)C2)cc1 ZINC001347318380 1053834802 /nfs/dbraw/zinc/83/48/02/1053834802.db2.gz UTZPHFOLLGWBAX-VXNCWWDNSA-N 1 0 357.498 2.511 20 10 FFCDRO [NH3+]C1CCN(CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC001336964347 1054371433 /nfs/dbraw/zinc/37/14/33/1054371433.db2.gz XUTJSGJKLKKENV-UHFFFAOYSA-N 1 0 374.529 2.660 20 10 FFCDRO O=C(NCc1cccc(O)c1O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001349077045 1055079177 /nfs/dbraw/zinc/07/91/77/1055079177.db2.gz BXUNNFWGHUULJN-SFHVURJKSA-N 1 0 354.450 2.669 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000848912360 1055352906 /nfs/dbraw/zinc/35/29/06/1055352906.db2.gz PTDFOELBEBWOPQ-LEWJYISDSA-N 1 0 354.494 2.927 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccn3C3CC3)cc2)C1 ZINC001349762238 1055456076 /nfs/dbraw/zinc/45/60/76/1055456076.db2.gz WHBYGDJIEYIDDH-QGZVFWFLSA-N 1 0 352.482 2.815 20 10 FFCDRO Oc1ccc(Br)cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001350338461 1055732192 /nfs/dbraw/zinc/73/21/92/1055732192.db2.gz NFBDGPTVEUBZSO-UHFFFAOYSA-N 1 0 369.303 2.888 20 10 FFCDRO O=C(c1cc2c(s1)C[NH2+]CC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001357484399 1055922011 /nfs/dbraw/zinc/92/20/11/1055922011.db2.gz FBQDBUOXOBBZFH-MRXNPFEDSA-N 1 0 372.490 2.921 20 10 FFCDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001353278594 1056256408 /nfs/dbraw/zinc/25/64/08/1056256408.db2.gz TUMUWEYTWMOUFL-PXNSSMCTSA-N 1 0 374.554 2.653 20 10 FFCDRO c1ccc([C@H]2CC[NH2+]C[C@H]2NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000849349626 1056836013 /nfs/dbraw/zinc/83/60/13/1056836013.db2.gz DHOZTJGEFGNLDC-FGZHOGPDSA-N 1 0 351.494 2.759 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)N(C)C)[NH+](C)C)cc1 ZINC001456927133 1060229977 /nfs/dbraw/zinc/22/99/77/1060229977.db2.gz ALHWDBKMCTZFMN-NHCUHLMSSA-N 1 0 368.525 2.774 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000848552447 1060264406 /nfs/dbraw/zinc/26/44/06/1060264406.db2.gz BMDHXBSDAODKEA-AVRDEDQJSA-N 1 0 373.541 2.755 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000848557829 1060273597 /nfs/dbraw/zinc/27/35/97/1060273597.db2.gz LFOVUDOGNYQOLF-OKZBNKHCSA-N 1 0 361.530 2.751 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001547469326 1071963793 /nfs/dbraw/zinc/96/37/93/1071963793.db2.gz RQNFEVQJLZGNFH-GOSISDBHSA-N 1 0 354.450 2.984 20 10 FFCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CC2CCCCC2)[NH+](C)C)cc1 ZINC001475765657 1061260283 /nfs/dbraw/zinc/26/02/83/1061260283.db2.gz ABGQYNVYHQZQJR-LJQANCHMSA-N 1 0 367.559 2.855 20 10 FFCDRO CO[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001479533590 1062504035 /nfs/dbraw/zinc/50/40/35/1062504035.db2.gz HLQNUWHLHKEYMO-ROUUACIJSA-N 1 0 364.534 2.716 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3CCC3)cc2)CC1 ZINC001471189777 1064595994 /nfs/dbraw/zinc/59/59/94/1064595994.db2.gz AWOQRKHFTUROKU-HXUWFJFHSA-N 1 0 356.514 2.913 20 10 FFCDRO CCO[C@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001471545329 1064710856 /nfs/dbraw/zinc/71/08/56/1064710856.db2.gz QUDNEWSLORDNBQ-RBUKOAKNSA-N 1 0 362.518 2.566 20 10 FFCDRO C[C@@H]1CCSCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471543424 1064711568 /nfs/dbraw/zinc/71/15/68/1064711568.db2.gz IHDWQKOTIPRADH-CRAIPNDOSA-N 1 0 364.559 2.892 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CC3(O)CCCCC3)CC2)cc1 ZINC001473114697 1065202274 /nfs/dbraw/zinc/20/22/74/1065202274.db2.gz HELBFNPZLKMALE-LJQANCHMSA-N 1 0 362.514 2.654 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cn4ccccc4n3)cc2)CC1 ZINC001473956853 1065427960 /nfs/dbraw/zinc/42/79/60/1065427960.db2.gz BDRCWHUEBNEBHE-UHFFFAOYSA-N 1 0 350.466 2.833 20 10 FFCDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474125945 1065460813 /nfs/dbraw/zinc/46/08/13/1065460813.db2.gz CHRWAUSCTGKTCW-MRXNPFEDSA-N 1 0 374.506 2.858 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2nnc3n2CCC3)c1O ZINC001474392395 1065509691 /nfs/dbraw/zinc/50/96/91/1065509691.db2.gz WUTWVIPUOMWPAZ-SNVBAGLBSA-N 1 0 351.248 2.852 20 10 FFCDRO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccc(Cl)cc3O)C2)CCC1 ZINC001474723506 1065589739 /nfs/dbraw/zinc/58/97/39/1065589739.db2.gz DFDDUXMRCXIGDS-SFHVURJKSA-N 1 0 353.846 2.716 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001474741223 1065595269 /nfs/dbraw/zinc/59/52/69/1065595269.db2.gz HROIBNYOUAXAAB-SFHVURJKSA-N 1 0 359.470 2.915 20 10 FFCDRO CCN(C)c1nnc(C2CC[NH2+]CC2)n1Cc1ccc(N(C)C)cc1C ZINC001577658285 1078385252 /nfs/dbraw/zinc/38/52/52/1078385252.db2.gz ZRERAGQLAJSGIV-UHFFFAOYSA-N 1 0 356.518 2.624 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2[nH]nc3ccc(Cl)cc32)cc1 ZINC001578424515 1078472590 /nfs/dbraw/zinc/47/25/90/1078472590.db2.gz JVVBJLZVURJEID-HNNXBMFYSA-N 1 0 357.845 2.712 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC001579589377 1078646798 /nfs/dbraw/zinc/64/67/98/1078646798.db2.gz GTOKFIIMWSHZOY-IBGZPJMESA-N 1 0 355.482 2.939 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC001579589928 1078647030 /nfs/dbraw/zinc/64/70/30/1078647030.db2.gz RUJWMVBTFBZBAA-UHFFFAOYSA-N 1 0 353.466 2.789 20 10 FFCDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001560308073 1076262459 /nfs/dbraw/zinc/26/24/59/1076262459.db2.gz YQRVLJRJIVEHNV-LJQANCHMSA-N 1 0 367.493 2.900 20 10 FFCDRO COc1cc(C[NH2+]Cc2c(C)c3ccccc3n2C)ccc1OCC(N)=O ZINC001560315526 1076263065 /nfs/dbraw/zinc/26/30/65/1076263065.db2.gz GRSQJIKLEZKXGL-UHFFFAOYSA-N 1 0 367.449 2.649 20 10 FFCDRO CSC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCOCC1 ZINC001560353519 1076266475 /nfs/dbraw/zinc/26/64/75/1076266475.db2.gz NLCMASSLMKEISO-UHFFFAOYSA-N 1 0 367.534 2.579 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC2(CCC2)O1 ZINC001565452568 1076731411 /nfs/dbraw/zinc/73/14/11/1076731411.db2.gz GJLHOBBCVUKDER-VQIMIIECSA-N 1 0 374.529 2.708 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(O)Cc2ccccc2)[NH+](C)C)cc1 ZINC001565453143 1076731489 /nfs/dbraw/zinc/73/14/89/1076731489.db2.gz SUFRCDZPQUGJPP-IBGZPJMESA-N 1 0 356.470 2.956 20 10 FFCDRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001587927441 1079892223 /nfs/dbraw/zinc/89/22/23/1079892223.db2.gz HAHOPQGZOGSMTL-UHFFFAOYSA-N 1 0 366.425 2.853 20 10 FFCDRO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589957753 1080903434 /nfs/dbraw/zinc/90/34/34/1080903434.db2.gz SUAHAKXWWSGIFP-CDJWAVJASA-N 1 0 356.474 2.630 20 10 FFCDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000377284080 512201117 /nfs/dbraw/zinc/20/11/17/512201117.db2.gz YHVPHZIYJMERKE-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000066703115 506614818 /nfs/dbraw/zinc/61/48/18/506614818.db2.gz KCDAQCVTLFWVKG-UHFFFAOYSA-N 1 0 363.502 2.815 20 10 FFCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000050924191 507719265 /nfs/dbraw/zinc/71/92/65/507719265.db2.gz QSJBKBFQZWHVKM-UHFFFAOYSA-N 1 0 374.462 2.885 20 10 FFCDRO CC(C)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[NH+](C)C ZINC000106915506 507828925 /nfs/dbraw/zinc/82/89/25/507828925.db2.gz BXIUTLLCRUGNJR-KRWDZBQOSA-N 1 0 369.456 2.959 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000092704691 508096663 /nfs/dbraw/zinc/09/66/63/508096663.db2.gz JJXMMPVKHOHTQR-INIZCTEOSA-N 1 0 359.401 2.936 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101647657 508251676 /nfs/dbraw/zinc/25/16/76/508251676.db2.gz FCQODBLWTXYYHV-OAGGEKHMSA-N 1 0 363.477 2.540 20 10 FFCDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000101991050 508263492 /nfs/dbraw/zinc/26/34/92/508263492.db2.gz XUECRWPYLDDWGY-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000102416435 508274858 /nfs/dbraw/zinc/27/48/58/508274858.db2.gz AKTJRGILCBMSHW-KRWDZBQOSA-N 1 0 367.493 2.959 20 10 FFCDRO Cn1cc(N2CC[C@@H]([N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000133597886 508422353 /nfs/dbraw/zinc/42/23/53/508422353.db2.gz URCBZEKCJCTOQA-HXUWFJFHSA-N 1 0 367.497 2.648 20 10 FFCDRO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153363385 508576283 /nfs/dbraw/zinc/57/62/83/508576283.db2.gz BBPICZNHCLYXOI-SFHVURJKSA-N 1 0 359.514 2.746 20 10 FFCDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000157768212 508609026 /nfs/dbraw/zinc/60/90/26/508609026.db2.gz RKTDZBWCDUHMGN-OAHLLOKOSA-N 1 0 371.529 2.980 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(NC(N)=O)cc3)CC2)cc1 ZINC000130924163 508866120 /nfs/dbraw/zinc/86/61/20/508866120.db2.gz LNKOEPXIOYVHNH-UHFFFAOYSA-N 1 0 354.454 2.944 20 10 FFCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000155652209 509046117 /nfs/dbraw/zinc/04/61/17/509046117.db2.gz DGKUYQDZNLVREK-LRDDRELGSA-N 1 0 373.419 2.532 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)N1CCCCC1 ZINC000162644261 509272282 /nfs/dbraw/zinc/27/22/82/509272282.db2.gz BMLARBWRRGYMQW-UHFFFAOYSA-N 1 0 371.525 2.748 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(O)c1 ZINC000185685925 509304649 /nfs/dbraw/zinc/30/46/49/509304649.db2.gz ZEOQVTFHNIZZGQ-NSHDSACASA-N 1 0 366.405 2.665 20 10 FFCDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c(C)n1-c1ccccn1 ZINC000267072774 509334608 /nfs/dbraw/zinc/33/46/08/509334608.db2.gz DZEXIQFOQZPIQM-LJQANCHMSA-N 1 0 358.511 2.656 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1O ZINC000186054496 509501747 /nfs/dbraw/zinc/50/17/47/509501747.db2.gz SLZFGFTWZJLSAE-UGSOOPFHSA-N 1 0 350.422 2.735 20 10 FFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000186109037 509525858 /nfs/dbraw/zinc/52/58/58/509525858.db2.gz TWFGAACLBOOIQI-CMPLNLGQSA-N 1 0 356.264 2.609 20 10 FFCDRO O=[N+]([O-])c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)s1 ZINC000192458013 509527686 /nfs/dbraw/zinc/52/76/86/509527686.db2.gz DANIITLNKAXKMI-MRVPVSSYSA-N 1 0 352.445 2.596 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176619361 509614314 /nfs/dbraw/zinc/61/43/14/509614314.db2.gz OSMBWJYBSXSVRY-QUCCMNQESA-N 1 0 374.529 2.537 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COC1CCOCC1 ZINC000268070703 509745269 /nfs/dbraw/zinc/74/52/69/509745269.db2.gz ZDLOFVLLMAIOQB-LJQANCHMSA-N 1 0 350.503 2.520 20 10 FFCDRO CCCO[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000170989263 509877897 /nfs/dbraw/zinc/87/78/97/509877897.db2.gz DVOWVEFNTDLWFC-HXUWFJFHSA-N 1 0 361.530 2.992 20 10 FFCDRO CC[NH+]1CCC(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000174132555 509962687 /nfs/dbraw/zinc/96/26/87/509962687.db2.gz POTVZTSGMBXNCL-VMPITWQZSA-N 1 0 371.525 2.775 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1O ZINC000187606871 510352819 /nfs/dbraw/zinc/35/28/19/510352819.db2.gz GWFZWOHZZBUZMO-UHFFFAOYSA-N 1 0 364.442 2.669 20 10 FFCDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269443760 510409772 /nfs/dbraw/zinc/40/97/72/510409772.db2.gz GCLKAZOZGIHHRN-MRXNPFEDSA-N 1 0 374.506 2.820 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000185354169 510819526 /nfs/dbraw/zinc/81/95/26/510819526.db2.gz RHMONUZMTUPNKU-UHFFFAOYSA-N 1 0 359.514 2.781 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000297285494 510887328 /nfs/dbraw/zinc/88/73/28/510887328.db2.gz XPOGZGASZROBPV-GOSISDBHSA-N 1 0 360.498 2.887 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282289493 510917274 /nfs/dbraw/zinc/91/72/74/510917274.db2.gz BWAYCJBAIPPHEE-HZPDHXFCSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278512419 510995656 /nfs/dbraw/zinc/99/56/56/510995656.db2.gz QCHKGRZGZGSUFL-GXFFZTMASA-N 1 0 352.412 2.972 20 10 FFCDRO COc1c([O-])c(C[NH2+]Cc2ccc(C3OCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278944622 511014218 /nfs/dbraw/zinc/01/42/18/511014218.db2.gz YJZFTGXBCXQYCS-UHFFFAOYSA-N 1 0 360.366 2.644 20 10 FFCDRO CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1[O-] ZINC000287308432 511047223 /nfs/dbraw/zinc/04/72/23/511047223.db2.gz CVWAHQIHHLHERP-HNNXBMFYSA-N 1 0 360.907 2.758 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1OC ZINC000271078414 511076671 /nfs/dbraw/zinc/07/66/71/511076671.db2.gz HUBWAUUHNDUFLD-KRWDZBQOSA-N 1 0 365.470 2.960 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1 ZINC000294682157 511141644 /nfs/dbraw/zinc/14/16/44/511141644.db2.gz AADWPNWDOCJART-UHFFFAOYSA-N 1 0 373.522 2.756 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSC(F)F)cc2F)CC1 ZINC000294745905 511164294 /nfs/dbraw/zinc/16/42/94/511164294.db2.gz WYZCKHSCBNIDRM-UHFFFAOYSA-N 1 0 361.433 2.540 20 10 FFCDRO CC(=O)NC[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000294827788 511190683 /nfs/dbraw/zinc/19/06/83/511190683.db2.gz NDOJUJWMDGGEER-IBGZPJMESA-N 1 0 373.522 2.721 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)c1 ZINC000271491120 511222530 /nfs/dbraw/zinc/22/25/30/511222530.db2.gz LVEOUPQCERKPHK-OAHLLOKOSA-N 1 0 361.511 2.820 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(S(N)(=O)=O)c1 ZINC000271776192 511319722 /nfs/dbraw/zinc/31/97/22/511319722.db2.gz VCKRUTZLQUPWTE-AWEZNQCLSA-N 1 0 359.495 2.567 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272049659 511412610 /nfs/dbraw/zinc/41/26/10/511412610.db2.gz HHAPLQHYWMHWSM-CXAGYDPISA-N 1 0 370.419 2.977 20 10 FFCDRO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000292216267 511509189 /nfs/dbraw/zinc/50/91/89/511509189.db2.gz ZJLMXAPXRWNWFW-GJZGRUSLSA-N 1 0 367.440 2.905 20 10 FFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000273291838 511522318 /nfs/dbraw/zinc/52/23/18/511522318.db2.gz YGOKOGOZNWEYGE-MRXNPFEDSA-N 1 0 361.530 2.678 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454177 511526287 /nfs/dbraw/zinc/52/62/87/511526287.db2.gz GTRQYOLDWDGMNW-JOYOIKCWSA-N 1 0 361.320 2.504 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446052 511526519 /nfs/dbraw/zinc/52/65/19/511526519.db2.gz ZWRCQMPTYHQPRA-ZIAGYGMSSA-N 1 0 372.425 2.771 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273484172 511528850 /nfs/dbraw/zinc/52/88/50/511528850.db2.gz VDIAIRLSFGVTGR-KBXCAEBGSA-N 1 0 355.438 2.638 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccco1)C(C)C)cc2=O ZINC000299365394 511608019 /nfs/dbraw/zinc/60/80/19/511608019.db2.gz JUMDRDCHGVPDGX-UHFFFAOYSA-N 1 0 358.398 2.615 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccc(C)cc2O)CC1 ZINC000296510646 511774370 /nfs/dbraw/zinc/77/43/70/511774370.db2.gz PMOVRIZMQPSQKF-JBEBIEQOSA-N 1 0 353.484 2.538 20 10 FFCDRO Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1NC(=O)CC[NH+](C)C ZINC000274282432 511779056 /nfs/dbraw/zinc/77/90/56/511779056.db2.gz VOSIEDHDJXSPEJ-UHFFFAOYSA-N 1 0 371.437 2.932 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1O ZINC000363868497 511819677 /nfs/dbraw/zinc/81/96/77/511819677.db2.gz NJXIMQRITMRWBG-WCQYABFASA-N 1 0 365.275 2.818 20 10 FFCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297120871 512027792 /nfs/dbraw/zinc/02/77/92/512027792.db2.gz YNEPZUWGTCYHMZ-ROUUACIJSA-N 1 0 351.450 2.941 20 10 FFCDRO O=C([C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)N1CCCCC1 ZINC000374307473 512756486 /nfs/dbraw/zinc/75/64/86/512756486.db2.gz CZGPYOCUXDECAT-FQEVSTJZSA-N 1 0 371.525 2.748 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c1O ZINC000378436277 512757731 /nfs/dbraw/zinc/75/77/31/512757731.db2.gz BWLNWLKLSXMWKF-UHFFFAOYSA-N 1 0 366.889 2.861 20 10 FFCDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000372228747 512770663 /nfs/dbraw/zinc/77/06/63/512770663.db2.gz VPMPAPMZSRKGJA-HNNXBMFYSA-N 1 0 369.465 2.765 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000372281912 512794178 /nfs/dbraw/zinc/79/41/78/512794178.db2.gz KRJQBLSZXLXZPD-UONOGXRCSA-N 1 0 357.834 2.597 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368212824 512848376 /nfs/dbraw/zinc/84/83/76/512848376.db2.gz QFCQDTAMRFHRII-IFXJQAMLSA-N 1 0 358.482 2.702 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000376729696 512961696 /nfs/dbraw/zinc/96/16/96/512961696.db2.gz SASNHORAMCDFQK-UHFFFAOYSA-N 1 0 366.259 2.986 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccccc3F)CC2)cc1 ZINC000370676795 513047044 /nfs/dbraw/zinc/04/70/44/513047044.db2.gz NGZFQDLZMROOTF-UHFFFAOYSA-N 1 0 371.456 2.823 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1O ZINC000527955428 518009782 /nfs/dbraw/zinc/00/97/82/518009782.db2.gz NZTVLXNQQVTXDF-OPAMFIHVSA-N 1 0 370.493 2.812 20 10 FFCDRO Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592566747 520458040 /nfs/dbraw/zinc/45/80/40/520458040.db2.gz WVJSRLHVNGVPPJ-OAHLLOKOSA-N 1 0 365.481 2.657 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C2(CO)CC2)C1 ZINC000617899142 520772439 /nfs/dbraw/zinc/77/24/39/520772439.db2.gz QXFRDWDYGGALPO-MRXNPFEDSA-N 1 0 369.509 2.685 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO1 ZINC000823732248 606751928 /nfs/dbraw/zinc/75/19/28/606751928.db2.gz JPMYORLITVCHPO-GOSISDBHSA-N 1 0 365.437 2.754 20 10 FFCDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Br)ccc1O ZINC000825976571 608521523 /nfs/dbraw/zinc/52/15/23/608521523.db2.gz LVACBRNWFOTZRM-UHFFFAOYSA-N 1 0 374.242 2.967 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000746978135 735522022 /nfs/dbraw/zinc/52/20/22/735522022.db2.gz LADZGFFYQRKZDC-CABCVRRESA-N 1 0 350.482 2.811 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccccc2O)cc(Cl)c1OCC(N)=O ZINC000091956675 728463732 /nfs/dbraw/zinc/46/37/32/728463732.db2.gz CNWTUZMZDBKODY-UHFFFAOYSA-N 1 0 364.829 2.550 20 10 FFCDRO CCS(=O)(=O)NCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000119278263 728590843 /nfs/dbraw/zinc/59/08/43/728590843.db2.gz MOMJOYKDRITKAK-INIZCTEOSA-N 1 0 362.495 2.895 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000125521843 728684569 /nfs/dbraw/zinc/68/45/69/728684569.db2.gz MDUFYDKCAXBFGN-HNAYVOBHSA-N 1 0 368.905 2.616 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC000194944518 729525688 /nfs/dbraw/zinc/52/56/88/729525688.db2.gz VRNOSZSWHOVKNH-JTQLQIEISA-N 1 0 350.260 2.934 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)CC1 ZINC000255193297 729633983 /nfs/dbraw/zinc/63/39/83/729633983.db2.gz YFVFVDDOOPYAEU-GDNBJRDFSA-N 1 0 358.492 2.630 20 10 FFCDRO CON1CCC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000924717595 738441317 /nfs/dbraw/zinc/44/13/17/738441317.db2.gz WABVVOIYMIFHID-HUUCEWRRSA-N 1 0 351.466 2.555 20 10 FFCDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858252497 730420906 /nfs/dbraw/zinc/42/09/06/730420906.db2.gz JMYHKWLPSULMET-RTBURBONSA-N 1 0 365.543 2.627 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1O ZINC000858564297 730428958 /nfs/dbraw/zinc/42/89/58/730428958.db2.gz KBCWSRCHKJHBGA-PBHICJAKSA-N 1 0 361.873 2.992 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1O ZINC000858602678 730429742 /nfs/dbraw/zinc/42/97/42/730429742.db2.gz GIFZPKFMFCYNFU-HZMBPMFUSA-N 1 0 353.260 2.959 20 10 FFCDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000858767007 730433215 /nfs/dbraw/zinc/43/32/15/730433215.db2.gz YUBJHZAEOVRFTI-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)cn1 ZINC000862252789 730682659 /nfs/dbraw/zinc/68/26/59/730682659.db2.gz XGLNKTHDLWKMHC-LBPRGKRZSA-N 1 0 350.260 2.953 20 10 FFCDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(O)cccc1Br ZINC000862366523 730692664 /nfs/dbraw/zinc/69/26/64/730692664.db2.gz KDIIAIOXGMKYJZ-UHFFFAOYSA-N 1 0 370.335 2.613 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000865532319 730966841 /nfs/dbraw/zinc/96/68/41/730966841.db2.gz YPQBETZLVAEDQZ-GFCCVEGCSA-N 1 0 367.902 2.904 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)ccc1OC ZINC000865682413 730985324 /nfs/dbraw/zinc/98/53/24/730985324.db2.gz FLDAGZGDBHQRMF-OAHLLOKOSA-N 1 0 358.364 2.716 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000865710970 730988546 /nfs/dbraw/zinc/98/85/46/730988546.db2.gz GLLVKNSXPGKKSO-KGFZYKRKSA-N 1 0 358.154 2.565 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000876944099 732300998 /nfs/dbraw/zinc/30/09/98/732300998.db2.gz YOJUUANOSGFDPG-LJQANCHMSA-N 1 0 350.528 2.771 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]Cc2cc(Br)ccc2O)cc1C ZINC000877520883 732379368 /nfs/dbraw/zinc/37/93/68/732379368.db2.gz JSBUDYLMEGZCCD-UHFFFAOYSA-N 1 0 353.216 2.868 20 10 FFCDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000877686641 732413655 /nfs/dbraw/zinc/41/36/55/732413655.db2.gz SBFKJNGMEFQGEE-LJQANCHMSA-N 1 0 351.443 2.581 20 10 FFCDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1O ZINC000883308457 733366539 /nfs/dbraw/zinc/36/65/39/733366539.db2.gz POWSSCQMQJNBTI-ZYHUDNBSSA-N 1 0 362.289 2.773 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC2)cc1 ZINC000883360060 733373197 /nfs/dbraw/zinc/37/31/97/733373197.db2.gz SZWJZGWOAQHREQ-CQSZACIVSA-N 1 0 368.346 2.812 20 10 FFCDRO CN(C)Cc1csc(C[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000722380628 734383960 /nfs/dbraw/zinc/38/39/60/734383960.db2.gz RJFFLBXKLMARJL-UHFFFAOYSA-N 1 0 356.289 2.963 20 10 FFCDRO CCc1[nH]nc(Cl)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245453 734404048 /nfs/dbraw/zinc/40/40/48/734404048.db2.gz FICVMZZCRGLQQL-OAHLLOKOSA-N 1 0 363.893 2.724 20 10 FFCDRO Cc1ncc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248506 734404624 /nfs/dbraw/zinc/40/46/24/734404624.db2.gz XMHSUCIGQXCMAH-ZGKFYVQTSA-N 1 0 358.511 2.950 20 10 FFCDRO COc1ccc(CN2CCN(CC(F)(F)F)CC2(C)C)c(O)c1OC ZINC000893590194 734722704 /nfs/dbraw/zinc/72/27/04/734722704.db2.gz PVIYSMHKHMZRHN-UHFFFAOYSA-N 1 0 362.392 2.868 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@](C)(O)C(F)(F)F)c2cc(F)ccc2n1C ZINC000894361254 734845456 /nfs/dbraw/zinc/84/54/56/734845456.db2.gz FZHUQYVCBQDZCI-OAHLLOKOSA-N 1 0 362.323 2.507 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894514141 734872445 /nfs/dbraw/zinc/87/24/45/734872445.db2.gz VNGJMRSBMSWLIQ-AWEZNQCLSA-N 1 0 351.830 2.929 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC[C@H](O)C(F)(F)F)c2cc(F)ccc2n1C ZINC000894769365 734913974 /nfs/dbraw/zinc/91/39/74/734913974.db2.gz FHJMVDHTZRIRRM-ZDUSSCGKSA-N 1 0 362.323 2.507 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC2CC(F)(F)C2)[NH+](C)C)cc1 ZINC000895002989 734950329 /nfs/dbraw/zinc/95/03/29/734950329.db2.gz QZZXLUIQYFRVOM-INIZCTEOSA-N 1 0 354.445 2.700 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000895718996 735047421 /nfs/dbraw/zinc/04/74/21/735047421.db2.gz KTXZZEDQKRNWRL-DYVFJYSZSA-N 1 0 361.515 2.872 20 10 FFCDRO COc1cccc(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)c1O ZINC000897539880 735244869 /nfs/dbraw/zinc/24/48/69/735244869.db2.gz YKJMGSLZVHERJH-UHFFFAOYSA-N 1 0 359.413 2.693 20 10 FFCDRO Cc1cn(C(C)(C)C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000897748548 735272966 /nfs/dbraw/zinc/27/29/66/735272966.db2.gz WLAJTYMEIHUJCM-UHFFFAOYSA-N 1 0 352.232 2.711 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000753568059 736078547 /nfs/dbraw/zinc/07/85/47/736078547.db2.gz KQLZPLJLSKMOHO-ZDUSSCGKSA-N 1 0 362.289 2.520 20 10 FFCDRO COCC(C)(C)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000756102830 736306916 /nfs/dbraw/zinc/30/69/16/736306916.db2.gz RZSVFMMXRNDQLQ-UHFFFAOYSA-N 1 0 352.475 2.507 20 10 FFCDRO CC[C@@](O)(C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905282906 736322370 /nfs/dbraw/zinc/32/23/70/736322370.db2.gz BRLUFXXRQHKAKQ-OAHLLOKOSA-N 1 0 368.346 2.594 20 10 FFCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760890650 736677708 /nfs/dbraw/zinc/67/77/08/736677708.db2.gz XZFUOPFAKNNGPG-LSBZLQRGSA-N 1 0 352.450 2.507 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761231197 736710468 /nfs/dbraw/zinc/71/04/68/736710468.db2.gz ZWBYZHPTMLLVSJ-HNNXBMFYSA-N 1 0 365.861 2.684 20 10 FFCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765287167 737104945 /nfs/dbraw/zinc/10/49/45/737104945.db2.gz SEYOXYOYRVQMMY-GJZGRUSLSA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1 ZINC000765978667 737179869 /nfs/dbraw/zinc/17/98/69/737179869.db2.gz DVYIJDZIVJGKBJ-OAHLLOKOSA-N 1 0 362.470 2.911 20 10 FFCDRO O=S1(=O)CCC(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768651575 737444844 /nfs/dbraw/zinc/44/48/44/737444844.db2.gz RAYXIKLAWZHLDC-UHFFFAOYSA-N 1 0 350.528 2.981 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1O ZINC000768780892 737457350 /nfs/dbraw/zinc/45/73/50/737457350.db2.gz FKJDJSLFTJWPOL-UHFFFAOYSA-N 1 0 360.376 2.681 20 10 FFCDRO COCC[N@H+](C)CCCC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769514835 737537648 /nfs/dbraw/zinc/53/76/48/737537648.db2.gz LTIKAUPXJDGUKS-UHFFFAOYSA-N 1 0 350.503 2.971 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000921744687 738036125 /nfs/dbraw/zinc/03/61/25/738036125.db2.gz QCUVYAZIFUYWAW-KRWDZBQOSA-N 1 0 366.868 2.966 20 10 FFCDRO CCn1nccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000775880970 738135457 /nfs/dbraw/zinc/13/54/57/738135457.db2.gz UTPQNWMVEUOEOQ-OAHLLOKOSA-N 1 0 362.861 2.656 20 10 FFCDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000922403298 738138707 /nfs/dbraw/zinc/13/87/07/738138707.db2.gz KFKPDFYPUPTHAL-UKRRQHHQSA-N 1 0 366.259 2.991 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000924004793 738357142 /nfs/dbraw/zinc/35/71/42/738357142.db2.gz BDLYDKNRRHXLFH-RDJZCZTQSA-N 1 0 362.543 2.522 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000793394300 739776688 /nfs/dbraw/zinc/77/66/88/739776688.db2.gz AXSONLCNYALIJH-UHFFFAOYSA-N 1 0 371.275 2.654 20 10 FFCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1 ZINC000793588287 739796441 /nfs/dbraw/zinc/79/64/41/739796441.db2.gz IPINGQNJHFIRPX-KGLIPLIRSA-N 1 0 359.436 2.658 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000798964449 740377775 /nfs/dbraw/zinc/37/77/75/740377775.db2.gz QKZBYCXEBUTMPR-IBGZPJMESA-N 1 0 351.443 2.583 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000798963297 740377920 /nfs/dbraw/zinc/37/79/20/740377920.db2.gz CHLZSGYHAPEYLE-SFHVURJKSA-N 1 0 371.861 2.846 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000800899569 740562184 /nfs/dbraw/zinc/56/21/84/740562184.db2.gz OLIXLGWFJOPCPW-CQSZACIVSA-N 1 0 360.841 2.815 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)NCc1cc(Br)ccc1O ZINC000806285860 741050518 /nfs/dbraw/zinc/05/05/18/741050518.db2.gz QEUSBSASZDIJBG-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000806664230 741079067 /nfs/dbraw/zinc/07/90/67/741079067.db2.gz JPAHLUDKLAXQPC-CQSZACIVSA-N 1 0 356.894 2.615 20 10 FFCDRO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810258107 741402383 /nfs/dbraw/zinc/40/23/83/741402383.db2.gz ZHJANNIPSQHNCR-HUUCEWRRSA-N 1 0 356.894 2.879 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000813788826 741764283 /nfs/dbraw/zinc/76/42/83/741764283.db2.gz ZOHSCKGZQVHUHD-STQMWFEESA-N 1 0 354.422 2.838 20 10 FFCDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000813860473 741769147 /nfs/dbraw/zinc/76/91/47/741769147.db2.gz JFPCKGVVOFUPGU-DOTOQJQBSA-N 1 0 365.905 2.657 20 10 FFCDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816608658 742046563 /nfs/dbraw/zinc/04/65/63/742046563.db2.gz GGHROYBAHQFRJU-MAUKXSAKSA-N 1 0 362.495 2.743 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000817960076 742224130 /nfs/dbraw/zinc/22/41/30/742224130.db2.gz WWFQYPNWGCVWCM-FZMZJTMJSA-N 1 0 355.276 2.891 20 10 FFCDRO CCOCC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120886 742339744 /nfs/dbraw/zinc/33/97/44/742339744.db2.gz ROUSANLYLRFPFQ-HOCLYGCPSA-N 1 0 358.429 2.634 20 10 FFCDRO O[C@@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819121009 742339775 /nfs/dbraw/zinc/33/97/75/742339775.db2.gz SIEAVUFHZIXFDK-GWCFXTLKSA-N 1 0 354.319 2.770 20 10 FFCDRO O=C(/C=C\[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000819398836 742385408 /nfs/dbraw/zinc/38/54/08/742385408.db2.gz QANYADIMIVUJGS-WOTWFYSVSA-N 1 0 364.873 2.861 20 10 FFCDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000822290909 742714197 /nfs/dbraw/zinc/71/41/97/742714197.db2.gz LWUXMDZMWDPEPI-UHFFFAOYSA-N 1 0 361.467 2.778 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)C12CCC[NH+](CCC1)C2 ZINC000822898328 742799623 /nfs/dbraw/zinc/79/96/23/742799623.db2.gz FIBLTGNIRYGDRT-UHFFFAOYSA-N 1 0 353.260 2.647 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000824564023 743105840 /nfs/dbraw/zinc/10/58/40/743105840.db2.gz FWXYHUSLEKZTPE-CQSZACIVSA-N 1 0 358.866 2.671 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)[nH]1 ZINC000824933930 743180944 /nfs/dbraw/zinc/18/09/44/743180944.db2.gz LFNGTXWJRSADJW-LBPRGKRZSA-N 1 0 351.248 2.961 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000826903334 743467334 /nfs/dbraw/zinc/46/73/34/743467334.db2.gz PJTMENVVURKSIF-DFBGVHRSSA-N 1 0 358.276 2.810 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1F ZINC000827544802 743598153 /nfs/dbraw/zinc/59/81/53/743598153.db2.gz LAQIBTJYBRYTHG-INIZCTEOSA-N 1 0 350.482 2.860 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCCC3(F)F)cc2)CC1 ZINC000829296684 745189725 /nfs/dbraw/zinc/18/97/25/745189725.db2.gz LWWTYTHEJVCKCQ-MRXNPFEDSA-N 1 0 351.441 2.880 20 10 FFCDRO [NH3+][C@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000830664622 745400392 /nfs/dbraw/zinc/40/03/92/745400392.db2.gz KUEPMFUCZSRWHL-XJKSGUPXSA-N 1 0 353.413 2.500 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncccc2C(F)(F)F)cc1 ZINC000832265893 745668841 /nfs/dbraw/zinc/66/88/41/745668841.db2.gz BBXNATQAUZNSFO-AWEZNQCLSA-N 1 0 352.360 2.596 20 10 FFCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839080557 746769899 /nfs/dbraw/zinc/76/98/99/746769899.db2.gz RSLCDHGLGFXBQN-CQSZACIVSA-N 1 0 357.292 2.536 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000840945401 747237502 /nfs/dbraw/zinc/23/75/02/747237502.db2.gz MLXRODZSTMKJHE-CYBMUJFWSA-N 1 0 372.918 2.648 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840947805 747238547 /nfs/dbraw/zinc/23/85/47/747238547.db2.gz GPTLPESZIVINQK-IUODEOHRSA-N 1 0 360.907 2.552 20 10 FFCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707055 747436938 /nfs/dbraw/zinc/43/69/38/747436938.db2.gz MSFIMEACMBJKNB-SFHVURJKSA-N 1 0 364.559 2.755 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1O ZINC000841746298 747447580 /nfs/dbraw/zinc/44/75/80/747447580.db2.gz XTLYOAMKYPTBJW-WCQYABFASA-N 1 0 365.813 2.865 20 10 FFCDRO O=C(NCCCSc1nccs1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841855555 747477034 /nfs/dbraw/zinc/47/70/34/747477034.db2.gz BGAKJVHRYQJGBI-HNNXBMFYSA-N 1 0 362.524 2.812 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2Cl)C1 ZINC000841895853 747484054 /nfs/dbraw/zinc/48/40/54/747484054.db2.gz GTNPCPMRGPKAID-DZGCQCFKSA-N 1 0 350.894 2.819 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]Cc2ccc(CO)cc2)c1O ZINC000842731797 747672101 /nfs/dbraw/zinc/67/21/01/747672101.db2.gz CIHYDZHJZBSSSC-UHFFFAOYSA-N 1 0 352.228 2.945 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000843299919 747806959 /nfs/dbraw/zinc/80/69/59/747806959.db2.gz ZOJHWCUOKQZCRH-KRWDZBQOSA-N 1 0 365.449 2.939 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843431970 747835832 /nfs/dbraw/zinc/83/58/32/747835832.db2.gz GJDUXRAVOGKYCL-AWEZNQCLSA-N 1 0 350.768 2.854 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844948575 748142938 /nfs/dbraw/zinc/14/29/38/748142938.db2.gz MFMFGJCRLQRDFW-INIZCTEOSA-N 1 0 350.507 2.503 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)NCCCSc2nccs2)c(F)c1 ZINC000846153940 748416555 /nfs/dbraw/zinc/41/65/55/748416555.db2.gz KJJOGVOTOCKHRP-UHFFFAOYSA-N 1 0 354.476 2.723 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cccc(OC)c2O)n1 ZINC000846163481 748417928 /nfs/dbraw/zinc/41/79/28/748417928.db2.gz IEHIODSVLUHXFF-NSHDSACASA-N 1 0 350.440 2.927 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847337087 748679384 /nfs/dbraw/zinc/67/93/84/748679384.db2.gz VSANJVXXLSYMKE-ZIAGYGMSSA-N 1 0 354.545 2.941 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848405510 748919724 /nfs/dbraw/zinc/91/97/24/748919724.db2.gz NEQNVTPQKJWUDF-YOEHRIQHSA-N 1 0 367.287 2.893 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000848525702 748949439 /nfs/dbraw/zinc/94/94/39/748949439.db2.gz SLKOEWUIDMUICP-NWDGAFQWSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000848529473 748950725 /nfs/dbraw/zinc/95/07/25/748950725.db2.gz VGNPPONDMLXYKP-RVBZMBCESA-N 1 0 364.305 2.926 20 10 FFCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531574 748951264 /nfs/dbraw/zinc/95/12/64/748951264.db2.gz SPHDGBHQOHIBQV-ZUZCIYMTSA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000848532799 748952035 /nfs/dbraw/zinc/95/20/35/748952035.db2.gz BAIAPJKNNALODF-GWCFXTLKSA-N 1 0 371.275 2.823 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1O ZINC000848543905 748955267 /nfs/dbraw/zinc/95/52/67/748955267.db2.gz IPJOTIVBXXKZPU-QMTHXVAHSA-N 1 0 374.275 2.601 20 10 FFCDRO COc1cc(O)c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000848926367 749035578 /nfs/dbraw/zinc/03/55/78/749035578.db2.gz PRUAERBLVJUPLP-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000895682716 970848647 /nfs/dbraw/zinc/84/86/47/970848647.db2.gz WXNJEDLNKPPEKL-QFIPXVFZSA-N 1 0 366.461 2.704 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)c(O)c1OC ZINC000895699513 970859723 /nfs/dbraw/zinc/85/97/23/970859723.db2.gz KJXFGLIFIATJJB-UHFFFAOYSA-N 1 0 359.422 2.919 20 10 FFCDRO Cc1cc(C(=O)CN(C)C2(CO)CCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000795194187 1013111998 /nfs/dbraw/zinc/11/19/98/1013111998.db2.gz UEQISZLCYYFOOX-UHFFFAOYSA-N 1 0 370.449 2.852 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000893391134 972109800 /nfs/dbraw/zinc/10/98/00/972109800.db2.gz KVMWPOFUNRWWHY-CQSZACIVSA-N 1 0 366.458 2.802 20 10 FFCDRO O=C1N(CCn2ccnc2)CC[C@]12CCC[N@H+]2Cc1ccc(Cl)cc1O ZINC001275895162 1013153224 /nfs/dbraw/zinc/15/32/24/1013153224.db2.gz GIVZLBPNSSJXTE-LJQANCHMSA-N 1 0 374.872 2.509 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@@]3(C2)CN(CC(C)C)C(=O)CO3)ccc1N(C)C ZINC001275951970 1013221028 /nfs/dbraw/zinc/22/10/28/1013221028.db2.gz RJBVBOJEGVLEBP-OAQYLSRUSA-N 1 0 359.514 2.520 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1Cn1cccn1 ZINC000873020469 1013351561 /nfs/dbraw/zinc/35/15/61/1013351561.db2.gz SXTVGVUSHYIULX-UHFFFAOYSA-N 1 0 351.406 2.959 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCc3cccnc32)[NH+](C)C)cc1 ZINC000891248741 962590223 /nfs/dbraw/zinc/59/02/23/962590223.db2.gz NNGMPCRVTTZPSG-WOJBJXKFSA-N 1 0 366.509 2.987 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000891252775 962607071 /nfs/dbraw/zinc/60/70/71/962607071.db2.gz NPKFNICIDLYQFI-IBGZPJMESA-N 1 0 370.453 2.622 20 10 FFCDRO Cc1cc(C)n([C@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891255152 962616776 /nfs/dbraw/zinc/61/67/76/962616776.db2.gz NFJNUZOZBANFTL-YLJYHZDGSA-N 1 0 371.529 2.936 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CSCc2ccccn2)[NH+](C)C)cc1 ZINC000891255450 962622929 /nfs/dbraw/zinc/62/29/29/962622929.db2.gz PLGLOTUOFKTBDJ-IBGZPJMESA-N 1 0 372.538 2.800 20 10 FFCDRO COc1ccc(C[NH2+][C@](C)(CO)c2ccccc2)cc1Cn1cccn1 ZINC000873051607 1013364958 /nfs/dbraw/zinc/36/49/58/1013364958.db2.gz FAUGHMOWVUJKOG-OAQYLSRUSA-N 1 0 351.450 2.937 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)[C@@]12CCCO2 ZINC000873105626 1013386271 /nfs/dbraw/zinc/38/62/71/1013386271.db2.gz ZNSPDFBWXWYSBF-NJYVYQBISA-N 1 0 371.481 2.756 20 10 FFCDRO COC(=O)COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001167437202 963271077 /nfs/dbraw/zinc/27/10/77/963271077.db2.gz PBKGJCJXSJXSGD-UHFFFAOYSA-N 1 0 369.465 2.602 20 10 FFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000068549363 963667468 /nfs/dbraw/zinc/66/74/68/963667468.db2.gz YMVUMEVBORTGFE-MSOLQXFVSA-N 1 0 374.529 2.615 20 10 FFCDRO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1O ZINC001279108756 964069791 /nfs/dbraw/zinc/06/97/91/964069791.db2.gz WNKBTHMKAJPBSG-BETUJISGSA-N 1 0 351.422 2.894 20 10 FFCDRO COc1cccc([C@H]2CN(Cc3ccc(OC)c(OC)c3O)CCO2)c1 ZINC000891930515 965426796 /nfs/dbraw/zinc/42/67/96/965426796.db2.gz XABGNYKBMIQDHC-GOSISDBHSA-N 1 0 359.422 2.992 20 10 FFCDRO C[NH+](C)CCn1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cn1 ZINC001176445878 1013700258 /nfs/dbraw/zinc/70/02/58/1013700258.db2.gz IJTQOHGRECKDJE-UHFFFAOYSA-N 1 0 360.417 2.964 20 10 FFCDRO COCCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000895005558 967150708 /nfs/dbraw/zinc/15/07/08/967150708.db2.gz GDGJUAHKNCKFDR-INIZCTEOSA-N 1 0 360.454 2.930 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000729500991 967397463 /nfs/dbraw/zinc/39/74/63/967397463.db2.gz DSVDYZWEFIESPN-PMACEKPBSA-N 1 0 374.529 2.537 20 10 FFCDRO O=C(c1cc2cc(O)c(O)cc2[nH]1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001270952196 967865579 /nfs/dbraw/zinc/86/55/79/967865579.db2.gz FHJXXIRBMTXRAQ-UHFFFAOYSA-N 1 0 355.438 2.670 20 10 FFCDRO Cc1cccnc1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895172016 968076394 /nfs/dbraw/zinc/07/63/94/968076394.db2.gz ILUWINQWQAQYBA-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000874196941 1013784652 /nfs/dbraw/zinc/78/46/52/1013784652.db2.gz ATUAXSKHFZXEDB-OXQOHEQNSA-N 1 0 357.498 2.717 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)c(O)c1OC ZINC000892466239 968894796 /nfs/dbraw/zinc/89/47/96/968894796.db2.gz MIDTYURVEYOAFO-UHFFFAOYSA-N 1 0 356.422 2.826 20 10 FFCDRO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179560111 968972094 /nfs/dbraw/zinc/97/20/94/968972094.db2.gz HXNSHQGFIMNANO-OAHLLOKOSA-N 1 0 357.429 2.676 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000984347343 969004299 /nfs/dbraw/zinc/00/42/99/969004299.db2.gz JWFUXSXMSHUCSD-MFPFFRNPSA-N 1 0 372.509 2.803 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000177143417 969072234 /nfs/dbraw/zinc/07/22/34/969072234.db2.gz VTWKDEPOZLPCSC-UHFFFAOYSA-N 1 0 368.525 2.850 20 10 FFCDRO CCC(CC)[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)N1CCOCC1 ZINC000892534882 969394624 /nfs/dbraw/zinc/39/46/24/969394624.db2.gz ZMSNCHQLIGLTTI-QGZVFWFLSA-N 1 0 366.502 2.636 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CN(C)Cc3ccccc3C)CC2)cc1 ZINC000023816711 970012133 /nfs/dbraw/zinc/01/21/33/970012133.db2.gz MTAVCGCMCKMCBF-UHFFFAOYSA-N 1 0 367.493 2.784 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c1O ZINC000895340375 970414468 /nfs/dbraw/zinc/41/44/68/970414468.db2.gz QFDGKMUSWWJGBV-UHFFFAOYSA-N 1 0 355.438 2.919 20 10 FFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)c1ccccc1 ZINC000122628570 970547856 /nfs/dbraw/zinc/54/78/56/970547856.db2.gz JECJZLHIUGPEQH-MJGOQNOKSA-N 1 0 374.868 2.860 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C1 ZINC000875301257 1014007753 /nfs/dbraw/zinc/00/77/53/1014007753.db2.gz PSXWCQAERNRCLY-YJBOKZPZSA-N 1 0 361.486 2.554 20 10 FFCDRO C[NH2+]C1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)CC1 ZINC000653050201 1014216674 /nfs/dbraw/zinc/21/66/74/1014216674.db2.gz IDOAAJKKEZUXHM-UHFFFAOYSA-N 1 0 355.482 2.739 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000653130056 1014234008 /nfs/dbraw/zinc/23/40/08/1014234008.db2.gz SWHONGLDOXSWMJ-QFIPXVFZSA-N 1 0 367.493 2.741 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CCCC1 ZINC000653127050 1014234328 /nfs/dbraw/zinc/23/43/28/1014234328.db2.gz WZMAMLRGAISTSC-LSDHHAIUSA-N 1 0 355.482 2.724 20 10 FFCDRO Cc1ccccc1CO[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506084 1014288357 /nfs/dbraw/zinc/28/83/57/1014288357.db2.gz DSQKXLHYIMIHGO-OXQOHEQNSA-N 1 0 355.482 2.782 20 10 FFCDRO Cn1ncc2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)cnc21 ZINC000876531795 1014294630 /nfs/dbraw/zinc/29/46/30/1014294630.db2.gz PHZLMYVHDNJIGM-GOSISDBHSA-N 1 0 352.438 2.855 20 10 FFCDRO COC(=O)c1[nH]c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000876550897 1014300022 /nfs/dbraw/zinc/30/00/22/1014300022.db2.gz GQHFCWUQEJYBHM-UHFFFAOYSA-N 1 0 357.454 2.578 20 10 FFCDRO Cc1noc2ncc(C[NH2+]C[C@H](c3ccc(N(C)C)cc3)N(C)C)cc12 ZINC000898447199 976469468 /nfs/dbraw/zinc/46/94/68/976469468.db2.gz GTGIJIIMDPQNPD-LJQANCHMSA-N 1 0 353.470 2.990 20 10 FFCDRO Oc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000876654006 1014340000 /nfs/dbraw/zinc/34/00/00/1014340000.db2.gz WKJLTVNCPMVLKF-UHFFFAOYSA-N 1 0 352.478 2.954 20 10 FFCDRO C[C@@H](Cc1ccccn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097452 976904849 /nfs/dbraw/zinc/90/48/49/976904849.db2.gz AMQBWVIZEDKYBB-JXFKEZNVSA-N 1 0 369.513 2.681 20 10 FFCDRO CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)c2C)cc1 ZINC000728914724 977465252 /nfs/dbraw/zinc/46/52/52/977465252.db2.gz VLUMLZIFWGDJHR-ROUUACIJSA-N 1 0 367.493 2.827 20 10 FFCDRO C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)c(F)c3[O-])cc2)CC1 ZINC000876932768 1014424408 /nfs/dbraw/zinc/42/44/08/1014424408.db2.gz VXNHFAZLKADMIN-UHFFFAOYSA-N 1 0 361.436 2.708 20 10 FFCDRO CO[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000876999801 1014444826 /nfs/dbraw/zinc/44/48/26/1014444826.db2.gz ZCVYPNSZSVXGCZ-KSSFIOAISA-N 1 0 370.440 2.898 20 10 FFCDRO Cc1cccc2nc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cn21 ZINC000877009079 1014448662 /nfs/dbraw/zinc/44/86/62/1014448662.db2.gz GVWXHFFQYOEGFP-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877019919 1014450984 /nfs/dbraw/zinc/45/09/84/1014450984.db2.gz UHPRWIPLCRTNDF-UHFFFAOYSA-N 1 0 371.437 2.854 20 10 FFCDRO COc1cccc(C(=O)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000178850808 978094640 /nfs/dbraw/zinc/09/46/40/978094640.db2.gz HYKGBHPAOHIXJR-UHFFFAOYSA-N 1 0 354.450 2.976 20 10 FFCDRO Cc1cc(C(=O)NCCN2CCOC[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000729384914 978269062 /nfs/dbraw/zinc/26/90/62/978269062.db2.gz GTDCEILLUBPCAA-OAHLLOKOSA-N 1 0 359.445 2.684 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)Cc1ccccc1 ZINC000877117060 1014479027 /nfs/dbraw/zinc/47/90/27/1014479027.db2.gz ZYMKGAZAZYVTSM-JTSKRJEESA-N 1 0 354.494 2.729 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(O)c1OC ZINC000894243371 978402296 /nfs/dbraw/zinc/40/22/96/978402296.db2.gz IEECQTCLQFLDNX-PBHICJAKSA-N 1 0 370.449 2.689 20 10 FFCDRO [O-]c1c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc(F)c1F ZINC000877190808 1014505507 /nfs/dbraw/zinc/50/55/07/1014505507.db2.gz UQEXLPZYHHGREN-KRWDZBQOSA-N 1 0 362.420 2.917 20 10 FFCDRO Cn1nc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000877408334 1014577458 /nfs/dbraw/zinc/57/74/58/1014577458.db2.gz LAVJZZQMTDQPPJ-UHFFFAOYSA-N 1 0 364.493 2.867 20 10 FFCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877520775 1014611473 /nfs/dbraw/zinc/61/14/73/1014611473.db2.gz HOXKUKPVCISSSQ-UHFFFAOYSA-N 1 0 373.541 2.872 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]1 ZINC000877598818 1014640837 /nfs/dbraw/zinc/64/08/37/1014640837.db2.gz TYQRAMARGVRQGA-HNNXBMFYSA-N 1 0 357.454 2.816 20 10 FFCDRO CCOc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1O ZINC000877687287 1014679238 /nfs/dbraw/zinc/67/92/38/1014679238.db2.gz HCNPPMRFXZJTJX-QZTJIDSGSA-N 1 0 369.465 2.795 20 10 FFCDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000841739639 981315848 /nfs/dbraw/zinc/31/58/48/981315848.db2.gz AIBFOYYKXKVSHH-OXJNMPFZSA-N 1 0 374.529 2.791 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1O ZINC000877803746 1014734720 /nfs/dbraw/zinc/73/47/20/1014734720.db2.gz YRTCMNVGUGROPW-GUDVDZBRSA-N 1 0 360.498 2.586 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc3n2CCOC3)ccc1N1CCCCC1 ZINC000898271729 982662555 /nfs/dbraw/zinc/66/25/55/982662555.db2.gz HVHLGVMARAOQOA-UHFFFAOYSA-N 1 0 371.441 2.602 20 10 FFCDRO CCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878241778 1014940398 /nfs/dbraw/zinc/94/03/98/1014940398.db2.gz ZLFAZFFUBSEAGE-HNNXBMFYSA-N 1 0 374.403 2.784 20 10 FFCDRO OCC1(C[C@@H](O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCC1 ZINC000878241574 1014941472 /nfs/dbraw/zinc/94/14/72/1014941472.db2.gz WTCSAPRLIFWRSR-RTBURBONSA-N 1 0 363.498 2.677 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911632845 983859501 /nfs/dbraw/zinc/85/95/01/983859501.db2.gz KXCBUZJWEDNQIL-UHFFFAOYSA-N 1 0 364.493 2.990 20 10 FFCDRO CC(C)C[C@@H]1CC(=O)N(CN(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000072915291 983912808 /nfs/dbraw/zinc/91/28/08/983912808.db2.gz SQZPYRCEHGFCNH-LJQANCHMSA-N 1 0 359.514 2.807 20 10 FFCDRO COCCn1nc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000760634810 984040031 /nfs/dbraw/zinc/04/00/31/984040031.db2.gz WFZDWLHICHNAHI-UHFFFAOYSA-N 1 0 357.502 2.510 20 10 FFCDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cccc(O)c1O ZINC000185851762 984047595 /nfs/dbraw/zinc/04/75/95/984047595.db2.gz RORFCFQODNVLHZ-HUUCEWRRSA-N 1 0 354.450 2.984 20 10 FFCDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cccc(O)c1O ZINC000185851748 984047795 /nfs/dbraw/zinc/04/77/95/984047795.db2.gz RORFCFQODNVLHZ-GJZGRUSLSA-N 1 0 354.450 2.984 20 10 FFCDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164463489 984369252 /nfs/dbraw/zinc/36/92/52/984369252.db2.gz SXAHZOLPXVHEAZ-MRXNPFEDSA-N 1 0 374.485 2.807 20 10 FFCDRO CCCCCNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000045578710 984461260 /nfs/dbraw/zinc/46/12/60/984461260.db2.gz WSIVMGGPFPCTKV-UHFFFAOYSA-N 1 0 362.518 2.697 20 10 FFCDRO COc1ccc2nc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2n1 ZINC000760866922 984550267 /nfs/dbraw/zinc/55/02/67/984550267.db2.gz BFFWLNHDBIUJRO-CQSZACIVSA-N 1 0 367.453 2.654 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3nnc4n3CCCCC4)CC2)cc1 ZINC000157532207 984563214 /nfs/dbraw/zinc/56/32/14/984563214.db2.gz FDZZESDRJATWJX-UHFFFAOYSA-N 1 0 355.486 2.772 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cc(OC)ncn3)CC2)cc1 ZINC000764676065 984630829 /nfs/dbraw/zinc/63/08/29/984630829.db2.gz FMSUJFSGHCMLAK-UHFFFAOYSA-N 1 0 355.486 2.654 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cncc(F)c1 ZINC000765253730 985006597 /nfs/dbraw/zinc/00/65/97/985006597.db2.gz LUPWBMNZPSESLY-GDBMZVCRSA-N 1 0 356.445 2.773 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765361476 985044062 /nfs/dbraw/zinc/04/40/62/985044062.db2.gz VUOGYEHVJSDNCY-OXJNMPFZSA-N 1 0 358.482 2.990 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 ZINC000765404489 985075847 /nfs/dbraw/zinc/07/58/47/985075847.db2.gz ZMMVUPDKTBZUKH-OAQYLSRUSA-N 1 0 361.530 2.612 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000765622149 985245487 /nfs/dbraw/zinc/24/54/87/985245487.db2.gz GMPFBLCZBGSGRN-SPLOXXLWSA-N 1 0 366.465 2.658 20 10 FFCDRO O=c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc[nH]1 ZINC000921547298 985290934 /nfs/dbraw/zinc/29/09/34/985290934.db2.gz CHHOHFPSGXHFNB-UHFFFAOYSA-N 1 0 367.371 2.932 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)c2c1 ZINC000173375076 985822365 /nfs/dbraw/zinc/82/23/65/985822365.db2.gz OYSIIBLHOBLCQK-QGZVFWFLSA-N 1 0 356.466 2.851 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](C)C3CC3)CC2)cc1 ZINC000063666321 986007214 /nfs/dbraw/zinc/00/72/14/986007214.db2.gz PZAXEARWAKZQFP-KRWDZBQOSA-N 1 0 359.514 2.760 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000999151370 986349917 /nfs/dbraw/zinc/34/99/17/986349917.db2.gz JWMCJKMCGMQSTB-GMNCBBECSA-N 1 0 360.498 2.898 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000174718543 986701345 /nfs/dbraw/zinc/70/13/45/986701345.db2.gz OSQSLLKQMKPWIP-UHFFFAOYSA-N 1 0 359.514 2.854 20 10 FFCDRO CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078474993 987148684 /nfs/dbraw/zinc/14/86/84/987148684.db2.gz AVPQROKAAZCQPG-GUDVDZBRSA-N 1 0 360.498 2.757 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153291429 987849037 /nfs/dbraw/zinc/84/90/37/987849037.db2.gz ZMUWBNVAJXFVST-MJGOQNOKSA-N 1 0 372.465 2.962 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000914789705 987913079 /nfs/dbraw/zinc/91/30/79/987913079.db2.gz CWZPCGYUJFIUOB-IEBWSBKVSA-N 1 0 359.514 2.854 20 10 FFCDRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000702227787 989938368 /nfs/dbraw/zinc/93/83/68/989938368.db2.gz NYTGDIACLRJHMI-WOJBJXKFSA-N 1 0 351.494 2.785 20 10 FFCDRO C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000920920118 990933060 /nfs/dbraw/zinc/93/30/60/990933060.db2.gz HUUZMCMSCCSCLV-GOSISDBHSA-N 1 0 374.529 2.759 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000921052591 990963098 /nfs/dbraw/zinc/96/30/98/990963098.db2.gz FPCBHHGGNPGICA-RDJZCZTQSA-N 1 0 356.466 2.909 20 10 FFCDRO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3O)CC2)c1C ZINC000179553738 991293854 /nfs/dbraw/zinc/29/38/54/991293854.db2.gz FXYUNMXUGXOINE-UHFFFAOYSA-N 1 0 353.466 2.765 20 10 FFCDRO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179560098 991294261 /nfs/dbraw/zinc/29/42/61/991294261.db2.gz HXNSHQGFIMNANO-HNNXBMFYSA-N 1 0 357.429 2.676 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651859 1015627286 /nfs/dbraw/zinc/62/72/86/1015627286.db2.gz NCCJYNZIOHXRQM-JKSUJKDBSA-N 1 0 369.465 2.803 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCCOC2CCCCC2)c1 ZINC000182370426 992023348 /nfs/dbraw/zinc/02/33/48/992023348.db2.gz OHDPLQWVMHGDBQ-OAHLLOKOSA-N 1 0 364.486 2.907 20 10 FFCDRO Cc1csc([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000880007889 1015729694 /nfs/dbraw/zinc/72/96/94/1015729694.db2.gz JQNJEWPWRJNMMB-QGZVFWFLSA-N 1 0 372.538 2.965 20 10 FFCDRO CCC(CC)[N@H+](CC)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000808782003 994259334 /nfs/dbraw/zinc/25/93/34/994259334.db2.gz BACGUAAHIGNSTG-HXUWFJFHSA-N 1 0 363.546 2.689 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(F)nc3)C[C@H]2C)cc1C ZINC001082451582 994626723 /nfs/dbraw/zinc/62/67/23/994626723.db2.gz JIMNEVALLYEFNJ-RHSMWYFYSA-N 1 0 357.429 2.788 20 10 FFCDRO C[N@H+](C[C@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2)C1CC1 ZINC000809959482 994652785 /nfs/dbraw/zinc/65/27/85/994652785.db2.gz IFHMTCQMDBMMEE-KRWDZBQOSA-N 1 0 374.506 2.981 20 10 FFCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2c(O)cccc2OC)cc1OC ZINC000810174226 994723019 /nfs/dbraw/zinc/72/30/19/994723019.db2.gz QKARINMPHIOPHV-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@H]2C)cc1C ZINC001082600782 995047026 /nfs/dbraw/zinc/04/70/26/995047026.db2.gz VEMXAYKZFNIYTH-DNVCBOLYSA-N 1 0 371.456 2.717 20 10 FFCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CN1c1ccccc1F ZINC000812782508 995532784 /nfs/dbraw/zinc/53/27/84/995532784.db2.gz VTZBWVMSTLBHTI-KRWDZBQOSA-N 1 0 369.440 2.557 20 10 FFCDRO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)no1 ZINC001082869627 995663225 /nfs/dbraw/zinc/66/32/25/995663225.db2.gz NCBIPFRIPPLHHM-RDTXWAMCSA-N 1 0 357.454 2.804 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3cc(C)cn3)C[C@H]2C)cc1C ZINC001082942047 995877510 /nfs/dbraw/zinc/87/75/10/995877510.db2.gz ASWMHHORNVYXDQ-IEBWSBKVSA-N 1 0 370.497 2.535 20 10 FFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000727643574 995910731 /nfs/dbraw/zinc/91/07/31/995910731.db2.gz CCNQVBNDBYHNIT-HXUWFJFHSA-N 1 0 356.466 2.909 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4cnn(C)c4)CC3)c2c1 ZINC000729988161 996772427 /nfs/dbraw/zinc/77/24/27/996772427.db2.gz BLAQUXFGYQKZRI-UHFFFAOYSA-N 1 0 366.465 2.605 20 10 FFCDRO CCCc1cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)[nH]n1 ZINC000730235996 997001520 /nfs/dbraw/zinc/00/15/20/997001520.db2.gz ROEUJNHJKINYQO-UHFFFAOYSA-N 1 0 373.476 2.573 20 10 FFCDRO CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000824681775 997050225 /nfs/dbraw/zinc/05/02/25/997050225.db2.gz OTAWHENHAFRNLX-ROUUACIJSA-N 1 0 374.529 2.647 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000824685339 997051683 /nfs/dbraw/zinc/05/16/83/997051683.db2.gz DMNKCIINVOVGOV-MSOLQXFVSA-N 1 0 374.529 2.505 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC3(C)CC[NH+](C)CC3)C2)cc1 ZINC000824685222 997052354 /nfs/dbraw/zinc/05/23/54/997052354.db2.gz BGQYKNAYTJSEOS-QGZVFWFLSA-N 1 0 374.529 2.553 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824830470 997118269 /nfs/dbraw/zinc/11/82/69/997118269.db2.gz TYBSWQYQCASTAQ-GXTWGEPZSA-N 1 0 372.387 2.634 20 10 FFCDRO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825118941 997219642 /nfs/dbraw/zinc/21/96/42/997219642.db2.gz ZJVQSNAQUJZIMX-INIZCTEOSA-N 1 0 371.447 2.839 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC000825183359 997243504 /nfs/dbraw/zinc/24/35/04/997243504.db2.gz LSMZDSBJECBLMJ-IBGZPJMESA-N 1 0 355.482 2.819 20 10 FFCDRO COCC[N@H+](C)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001143622151 997435787 /nfs/dbraw/zinc/43/57/87/997435787.db2.gz NTJIPIPKAJYMDO-UHFFFAOYSA-N 1 0 371.481 2.523 20 10 FFCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000844172352 997693536 /nfs/dbraw/zinc/69/35/36/997693536.db2.gz GNOXQNQYKQTQEX-GJZGRUSLSA-N 1 0 365.493 2.821 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1F ZINC000844182721 997698373 /nfs/dbraw/zinc/69/83/73/997698373.db2.gz JTEHCIWASTWNLV-UHFFFAOYSA-N 1 0 355.457 2.784 20 10 FFCDRO CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]1 ZINC000844188589 997698926 /nfs/dbraw/zinc/69/89/26/997698926.db2.gz WZOILQOWNDYHJN-KUHUBIRLSA-N 1 0 367.440 2.905 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000844191741 997701461 /nfs/dbraw/zinc/70/14/61/997701461.db2.gz XWULPJBXDPAYHY-UHFFFAOYSA-N 1 0 371.456 2.559 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000844400459 997862730 /nfs/dbraw/zinc/86/27/30/997862730.db2.gz CAXOLPFCDGDSRS-IBGZPJMESA-N 1 0 359.426 2.705 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000844402721 997864557 /nfs/dbraw/zinc/86/45/57/997864557.db2.gz UOGPLMAUBDZTNS-UHFFFAOYSA-N 1 0 363.502 2.930 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000826894932 1016170720 /nfs/dbraw/zinc/17/07/20/1016170720.db2.gz ZEZRCLCQQBUWTD-CTNGQTDRSA-N 1 0 368.477 2.876 20 10 FFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC(=O)NC1CCCC1 ZINC000731848381 998275996 /nfs/dbraw/zinc/27/59/96/998275996.db2.gz XMFGCLZCAUUCTN-UHFFFAOYSA-N 1 0 359.470 2.905 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000845016602 998295383 /nfs/dbraw/zinc/29/53/83/998295383.db2.gz USQXGMQMCSYNAK-JLYLLQBASA-N 1 0 374.529 2.788 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845040386 998310614 /nfs/dbraw/zinc/31/06/14/998310614.db2.gz BFMMGOZNSHOHQV-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508590 998615411 /nfs/dbraw/zinc/61/54/11/998615411.db2.gz RETLOGSRTSSPQM-LJQANCHMSA-N 1 0 374.462 2.884 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514707 998626481 /nfs/dbraw/zinc/62/64/81/998626481.db2.gz PGEKKDUJQFMYCF-GFCCVEGCSA-N 1 0 352.431 2.683 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]12 ZINC001144515824 998627352 /nfs/dbraw/zinc/62/73/52/998627352.db2.gz GKFDXHDZIZPFGM-OSAQELSMSA-N 1 0 364.442 2.539 20 10 FFCDRO CC1(C)[N@H+](Cc2c(O)cc(O)cc2O)CC[C@]12c1ccccc1OC2=O ZINC001144515863 998627581 /nfs/dbraw/zinc/62/75/81/998627581.db2.gz HDWULLCDNFFSJZ-HXUWFJFHSA-N 1 0 355.390 2.645 20 10 FFCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000732456405 998671381 /nfs/dbraw/zinc/67/13/81/998671381.db2.gz PWJYSECNTZEZEY-MJGOQNOKSA-N 1 0 374.529 2.756 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC3(C)C)cc2F)CC1 ZINC000732825932 998791626 /nfs/dbraw/zinc/79/16/26/998791626.db2.gz CBLXKEVNONVLTJ-INIZCTEOSA-N 1 0 362.493 2.813 20 10 FFCDRO COc1cccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1O ZINC000734845837 999348109 /nfs/dbraw/zinc/34/81/09/999348109.db2.gz IIRAILMQOJKESW-OAQYLSRUSA-N 1 0 356.466 2.518 20 10 FFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCOC[C@@H]1C1CC1 ZINC000766244374 999658713 /nfs/dbraw/zinc/65/87/13/999658713.db2.gz VFCNXUBHYOFUPY-LJQANCHMSA-N 1 0 358.482 2.774 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000741258161 999717517 /nfs/dbraw/zinc/71/75/17/999717517.db2.gz LLBANMCQSYHAHQ-NRFANRHFSA-N 1 0 356.466 2.518 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000743310362 999810972 /nfs/dbraw/zinc/81/09/72/999810972.db2.gz CNCPYZDHPHKGKJ-QZTJIDSGSA-N 1 0 374.529 2.614 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001086431193 999910451 /nfs/dbraw/zinc/91/04/51/999910451.db2.gz CKIIAILHWJOHSQ-MFPFFRNPSA-N 1 0 372.509 2.803 20 10 FFCDRO COc1cccc(O)c1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000846050259 1000197862 /nfs/dbraw/zinc/19/78/62/1000197862.db2.gz ZOKVHNJMUXISGA-SIKLNZKXSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)c1O ZINC000846153075 1000210531 /nfs/dbraw/zinc/21/05/31/1000210531.db2.gz FJJRGELNMVYLDS-ZFWWWQNUSA-N 1 0 356.422 2.866 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000846167958 1000214830 /nfs/dbraw/zinc/21/48/30/1000214830.db2.gz PJSVHHIMDZFMJW-JKSUJKDBSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000846138209 1000217196 /nfs/dbraw/zinc/21/71/96/1000217196.db2.gz UYBPJRGBYSAADW-SJLPKXTDSA-N 1 0 356.466 2.952 20 10 FFCDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000846187314 1000225688 /nfs/dbraw/zinc/22/56/88/1000225688.db2.gz KKHJSLLKABVPOI-IEBWSBKVSA-N 1 0 374.506 2.690 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000768535485 1000289566 /nfs/dbraw/zinc/28/95/66/1000289566.db2.gz AEOPSCXGBFGJMU-HNNXBMFYSA-N 1 0 355.438 2.955 20 10 FFCDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000768536534 1000289751 /nfs/dbraw/zinc/28/97/51/1000289751.db2.gz GNZLTMXBLZFBPL-CQSZACIVSA-N 1 0 369.421 2.675 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000846674501 1000405482 /nfs/dbraw/zinc/40/54/82/1000405482.db2.gz ZWAYINVLERNNKN-SUMWQHHRSA-N 1 0 367.440 2.891 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cnc(N4CCCC4)nc3)CC2)cc1 ZINC000768998549 1000414012 /nfs/dbraw/zinc/41/40/12/1000414012.db2.gz OYQJPBIKGYESRD-UHFFFAOYSA-N 1 0 367.497 2.798 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1O ZINC000769444693 1000522765 /nfs/dbraw/zinc/52/27/65/1000522765.db2.gz BMZYTBRYWODUDX-UHFFFAOYSA-N 1 0 354.450 2.810 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3/N=C(c4cccc(F)c4)OC3=O)cc2)CC1 ZINC000771519031 1001135863 /nfs/dbraw/zinc/13/58/63/1001135863.db2.gz BVMCSBMMVWDZNF-CPNJWEJPSA-N 1 0 365.408 2.922 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1C ZINC000785564855 1001458926 /nfs/dbraw/zinc/45/89/26/1001458926.db2.gz ULMDXVLDIAZFJX-KRWDZBQOSA-N 1 0 370.497 2.691 20 10 FFCDRO CCOC(=O)[C@H](CC)N(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000787438582 1001690805 /nfs/dbraw/zinc/69/08/05/1001690805.db2.gz DIPOSOUVFSHAOH-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC001232979257 1036210987 /nfs/dbraw/zinc/21/09/87/1036210987.db2.gz VUHSORORVVSCDR-UHFFFAOYSA-N 1 0 372.250 2.524 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(-c4ccccn4)s3)cc2)CC1 ZINC000788400224 1001801878 /nfs/dbraw/zinc/80/18/78/1001801878.db2.gz JKOFOWXJMUMNIH-UHFFFAOYSA-N 1 0 366.494 2.964 20 10 FFCDRO C[NH+](C)CCCCC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001184058901 1002484439 /nfs/dbraw/zinc/48/44/39/1002484439.db2.gz MZHDIXZNVMBEGX-UHFFFAOYSA-N 1 0 373.419 2.966 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000793386080 1003359007 /nfs/dbraw/zinc/35/90/07/1003359007.db2.gz IQLGXEVQKPASAJ-ZDUSSCGKSA-N 1 0 354.406 2.565 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c1O ZINC000775676160 1003626212 /nfs/dbraw/zinc/62/62/12/1003626212.db2.gz MXEYNYAPUMRVLN-APWZRJJASA-N 1 0 359.514 2.513 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000102554352 1003884513 /nfs/dbraw/zinc/88/45/13/1003884513.db2.gz NSNZNMAZOZRICC-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1ccc(F)cc1 ZINC000747232561 1003956422 /nfs/dbraw/zinc/95/64/22/1003956422.db2.gz YMGWMFNDOZZWAB-RBUKOAKNSA-N 1 0 371.456 2.826 20 10 FFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806634161 1004381362 /nfs/dbraw/zinc/38/13/62/1004381362.db2.gz FQCOAWWPCJGUPY-APWZRJJASA-N 1 0 356.514 2.837 20 10 FFCDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833194 1004547343 /nfs/dbraw/zinc/54/73/43/1004547343.db2.gz HVNZIUHMAXIIGT-ZDUSSCGKSA-N 1 0 372.425 2.959 20 10 FFCDRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775833270 1004548434 /nfs/dbraw/zinc/54/84/34/1004548434.db2.gz AQOPOLOXTRKOLY-INIZCTEOSA-N 1 0 355.482 2.866 20 10 FFCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000775834195 1004570491 /nfs/dbraw/zinc/57/04/91/1004570491.db2.gz LJDVLDYZTLAHHK-CYBMUJFWSA-N 1 0 372.425 2.959 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000807400414 1004586187 /nfs/dbraw/zinc/58/61/87/1004586187.db2.gz BDRXUFIAAFMVKB-IFXJQAMLSA-N 1 0 357.454 2.891 20 10 FFCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(I)cc2O)C1 ZINC001205838847 1004619394 /nfs/dbraw/zinc/61/93/94/1004619394.db2.gz DFFPGDBLQBBPFJ-GXFFZTMASA-N 1 0 360.239 2.556 20 10 FFCDRO C=Cc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001194156343 1004664196 /nfs/dbraw/zinc/66/41/96/1004664196.db2.gz OFLKNWQUWDVDAE-UHFFFAOYSA-N 1 0 371.506 2.560 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000776160783 1005205227 /nfs/dbraw/zinc/20/52/27/1005205227.db2.gz RDIAXAAUHNELCJ-HBMCJLEFSA-N 1 0 373.541 2.610 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccco3)cc2F)CC1 ZINC000106702544 1005356480 /nfs/dbraw/zinc/35/64/80/1005356480.db2.gz PDVHTEHPTOUTOP-SOFGYWHQSA-N 1 0 357.429 2.890 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2F)CC1 ZINC000850072914 1005782808 /nfs/dbraw/zinc/78/28/08/1005782808.db2.gz QAXDKFQRBHEOPF-UHFFFAOYSA-N 1 0 358.461 2.683 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cncn4)c(C)c3)C2)cc1 ZINC000850346230 1005808973 /nfs/dbraw/zinc/80/89/73/1005808973.db2.gz CTNQZGUMXJRCHH-GOSISDBHSA-N 1 0 363.465 2.953 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3-c3cccnc3)C2)cc1 ZINC000850345641 1005809000 /nfs/dbraw/zinc/80/90/00/1005809000.db2.gz GWARERBRKLJUAE-SFHVURJKSA-N 1 0 363.465 2.859 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000850480929 1005817946 /nfs/dbraw/zinc/81/79/46/1005817946.db2.gz CSTOXIIYIYEULD-RHSMWYFYSA-N 1 0 363.429 2.811 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000850759196 1005836890 /nfs/dbraw/zinc/83/68/90/1005836890.db2.gz NKHXUSCLHIYDMB-YJYMSZOUSA-N 1 0 371.437 2.944 20 10 FFCDRO C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000851630777 1005901315 /nfs/dbraw/zinc/90/13/15/1005901315.db2.gz RLMRNYMGTFULQJ-IERDGZPVSA-N 1 0 365.477 2.935 20 10 FFCDRO CC(=O)c1nc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000851899254 1005921381 /nfs/dbraw/zinc/92/13/81/1005921381.db2.gz ZREMBNIIAKZYEF-AWEZNQCLSA-N 1 0 356.470 2.651 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000852297829 1005965869 /nfs/dbraw/zinc/96/58/69/1005965869.db2.gz OIXFZSSEMTYTME-LRYGQEGESA-N 1 0 372.513 2.590 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C1CCOCC1 ZINC000852321745 1005976503 /nfs/dbraw/zinc/97/65/03/1005976503.db2.gz RHKBRHHAMTWUCF-NRFANRHFSA-N 1 0 362.514 2.833 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000852386277 1006001142 /nfs/dbraw/zinc/00/11/42/1006001142.db2.gz ATQXVCAOGGHZMV-IAGOWNOFSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000852386276 1006001687 /nfs/dbraw/zinc/00/16/87/1006001687.db2.gz ATQXVCAOGGHZMV-DLBZAZTESA-N 1 0 374.529 2.694 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3=CCCC3)cc2F)CC1 ZINC000852634108 1006117056 /nfs/dbraw/zinc/11/70/56/1006117056.db2.gz KGVXMMOKWDJZHL-UHFFFAOYSA-N 1 0 360.477 2.877 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(F)(F)C3)cc2F)CC1 ZINC000776620565 1006154678 /nfs/dbraw/zinc/15/46/78/1006154678.db2.gz VPIKMUBBPNMJPS-UHFFFAOYSA-N 1 0 370.419 2.518 20 10 FFCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]21 ZINC000814172971 1006168118 /nfs/dbraw/zinc/16/81/18/1006168118.db2.gz FPSOBJXCRBIHFB-RUYXUALKSA-N 1 0 353.418 2.822 20 10 FFCDRO Cc1nc(C(C)C)ncc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850240 1006241562 /nfs/dbraw/zinc/24/15/62/1006241562.db2.gz ZITVGXAXCCLANM-UHFFFAOYSA-N 1 0 367.497 2.590 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2)CC1 ZINC000881850794 1006242397 /nfs/dbraw/zinc/24/23/97/1006242397.db2.gz GHEDYZDEBKCLLW-UHFFFAOYSA-N 1 0 367.497 2.680 20 10 FFCDRO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1O ZINC000111235263 1006362721 /nfs/dbraw/zinc/36/27/21/1006362721.db2.gz LUZQXMVIPVJODK-INIZCTEOSA-N 1 0 371.456 2.700 20 10 FFCDRO CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000853486514 1006406313 /nfs/dbraw/zinc/40/63/13/1006406313.db2.gz FJILNQWNMXXJOQ-XLIONFOSSA-N 1 0 374.529 2.710 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)c(F)c2)[NH+](C)C)cc1 ZINC001134686658 1006438667 /nfs/dbraw/zinc/43/86/67/1006438667.db2.gz RFXQFZDURJDTBG-IBGZPJMESA-N 1 0 361.436 2.992 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC001134681951 1006444683 /nfs/dbraw/zinc/44/46/83/1006444683.db2.gz ODWKRQANCLUNKL-ICSRJNTNSA-N 1 0 367.493 2.723 20 10 FFCDRO Cc1ccc(COCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001134882231 1006525313 /nfs/dbraw/zinc/52/53/13/1006525313.db2.gz NARCTKYCHCZDCE-OAQYLSRUSA-N 1 0 369.509 2.997 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nccc4c3C(=O)OC4(C)C)cc2)CC1 ZINC000882880578 1006545230 /nfs/dbraw/zinc/54/52/30/1006545230.db2.gz YXIGUYXNOLHVCT-UHFFFAOYSA-N 1 0 366.465 2.851 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C3CCC3)cc2F)CC1 ZINC000130436021 1006551658 /nfs/dbraw/zinc/55/16/58/1006551658.db2.gz WJVAJDAWVRXSKV-HNNXBMFYSA-N 1 0 362.493 2.955 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000854002971 1006624035 /nfs/dbraw/zinc/62/40/35/1006624035.db2.gz DNRDYIIZVVKLSS-PXNSSMCTSA-N 1 0 374.529 2.710 20 10 FFCDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000825549997 1006729010 /nfs/dbraw/zinc/72/90/10/1006729010.db2.gz XCHQQRYPQGKAMU-UHFFFAOYSA-N 1 0 358.413 2.879 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000854300458 1006766312 /nfs/dbraw/zinc/76/63/12/1006766312.db2.gz SYZUWBBBIKBJEQ-ZWKOTPCHSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883421225 1006786546 /nfs/dbraw/zinc/78/65/46/1006786546.db2.gz GAHMDYKYAJZZCF-UHFFFAOYSA-N 1 0 374.529 2.504 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000112446476 1006932126 /nfs/dbraw/zinc/93/21/26/1006932126.db2.gz ASLWNGONNVMULU-QGZVFWFLSA-N 1 0 362.518 2.615 20 10 FFCDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255826 1007109989 /nfs/dbraw/zinc/10/99/89/1007109989.db2.gz RLQPUXBWCGCOFN-HKUYNNGSSA-N 1 0 359.514 2.965 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)c1 ZINC000775369755 1007555647 /nfs/dbraw/zinc/55/56/47/1007555647.db2.gz QMUXRNNEIQCIFD-CZUORRHYSA-N 1 0 359.422 2.694 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000775374518 1007584346 /nfs/dbraw/zinc/58/43/46/1007584346.db2.gz CUKZOUHUOKEMIR-LBPRGKRZSA-N 1 0 360.410 2.707 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000775376765 1007589940 /nfs/dbraw/zinc/58/99/40/1007589940.db2.gz ZNCSJCDDRGNRJQ-AWEZNQCLSA-N 1 0 353.422 2.688 20 10 FFCDRO COc1ccc(N2CCN(CCN[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000817894946 1007802808 /nfs/dbraw/zinc/80/28/08/1007802808.db2.gz PJNFEJFEUHLDKL-YADHBBJMSA-N 1 0 366.509 2.552 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000817938333 1007815689 /nfs/dbraw/zinc/81/56/89/1007815689.db2.gz JDMBSNDSWSWAFC-HTAPYJJXSA-N 1 0 368.525 2.940 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940260 1007818754 /nfs/dbraw/zinc/81/87/54/1007818754.db2.gz FCBMLSRKQWZQFB-VOQZNFBZSA-N 1 0 367.541 2.648 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000856428357 1007822349 /nfs/dbraw/zinc/82/23/49/1007822349.db2.gz UWGHXLZTXDRDQS-GOSISDBHSA-N 1 0 370.497 2.672 20 10 FFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001206362028 1032256208 /nfs/dbraw/zinc/25/62/08/1032256208.db2.gz MENRLSXNWNXARF-SFHVURJKSA-N 1 0 355.885 2.830 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000885935575 1007842634 /nfs/dbraw/zinc/84/26/34/1007842634.db2.gz NZCQJLXMESIOHT-QWFCFKBJSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)cc1Br ZINC001206371045 1032258358 /nfs/dbraw/zinc/25/83/58/1032258358.db2.gz RGKFUPRSSHQFIT-OAHLLOKOSA-N 1 0 361.255 2.816 20 10 FFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001206370213 1032258498 /nfs/dbraw/zinc/25/84/98/1032258498.db2.gz MAJPFSBJMMWDBH-GOSISDBHSA-N 1 0 355.885 2.830 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)n1 ZINC000856594493 1007904495 /nfs/dbraw/zinc/90/44/95/1007904495.db2.gz GLCQTWPAOPJIGL-GZNAHNRGSA-N 1 0 370.497 2.781 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000818655863 1007960398 /nfs/dbraw/zinc/96/03/98/1007960398.db2.gz OGKKUXYSJWYTQK-UZLBHIALSA-N 1 0 368.481 2.521 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+]C[C@H](O)COC3CCOCC3)cc2)CC1 ZINC000819039138 1008029476 /nfs/dbraw/zinc/02/94/76/1008029476.db2.gz NUWVSYSZLKYOBF-FQEVSTJZSA-N 1 0 362.514 2.569 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)COCc1ccccc1F ZINC000819095026 1008032153 /nfs/dbraw/zinc/03/21/53/1008032153.db2.gz RQMXQORUCBPRRJ-FQEVSTJZSA-N 1 0 356.441 2.869 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+](C2CCCCC2)CC1 ZINC000819167624 1008055804 /nfs/dbraw/zinc/05/58/04/1008055804.db2.gz GCNFYNDDRQZNBT-UHFFFAOYSA-N 1 0 371.481 2.954 20 10 FFCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819359718 1008107667 /nfs/dbraw/zinc/10/76/67/1008107667.db2.gz GSPMXTRAYSCRQW-LJQANCHMSA-N 1 0 362.420 2.933 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3ccccc3C)CC2)cc1 ZINC000819393702 1008113419 /nfs/dbraw/zinc/11/34/19/1008113419.db2.gz GBSMDZLSGCUPTE-LJQANCHMSA-N 1 0 355.482 2.599 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000819380370 1008128275 /nfs/dbraw/zinc/12/82/75/1008128275.db2.gz POLXNYXCFDZERD-AEFFLSMTSA-N 1 0 374.456 2.690 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642196 1008203816 /nfs/dbraw/zinc/20/38/16/1008203816.db2.gz NFNIZFKAIFBRKM-CUZNAYPQSA-N 1 0 364.445 2.844 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCc2ccc(CN3CCOCC3)cc2)c1 ZINC000858117905 1008305132 /nfs/dbraw/zinc/30/51/32/1008305132.db2.gz GIMKPUAJORZDLJ-UHFFFAOYSA-N 1 0 369.465 2.532 20 10 FFCDRO CCNc1nccnc1NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000820609529 1008357358 /nfs/dbraw/zinc/35/73/58/1008357358.db2.gz GFDYCPWAMZDWAE-UHFFFAOYSA-N 1 0 370.501 2.541 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(N4CCOCC4)CC3)cc2)CC1 ZINC000859356456 1008506344 /nfs/dbraw/zinc/50/63/44/1008506344.db2.gz PUBREYQIJGLPKV-UHFFFAOYSA-N 1 0 373.541 2.598 20 10 FFCDRO O=C(CN1C[C@@H](CO)[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000859449376 1008515450 /nfs/dbraw/zinc/51/54/50/1008515450.db2.gz AXAFFFXEFVMSJO-HOTGVXAUSA-N 1 0 368.437 2.573 20 10 FFCDRO Cc1cccc(OCCN(C)CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000137611812 1008632193 /nfs/dbraw/zinc/63/21/93/1008632193.db2.gz LLLZMPDFBUJUIX-UHFFFAOYSA-N 1 0 355.482 2.688 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3c[nH]nc3C(C)(C)C)CC2)cc1 ZINC001177515145 1008636892 /nfs/dbraw/zinc/63/68/92/1008636892.db2.gz CXJTYKKYCFCDII-UHFFFAOYSA-N 1 0 371.529 2.628 20 10 FFCDRO Cn1cc([C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000822534425 1008649397 /nfs/dbraw/zinc/64/93/97/1008649397.db2.gz GFCCXAYHASXJMO-DLBZAZTESA-N 1 0 372.469 2.618 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCc4cccnc43)CC2)cc1 ZINC000886493307 1008700586 /nfs/dbraw/zinc/70/05/86/1008700586.db2.gz DJGKBXWXGCGVHS-NRFANRHFSA-N 1 0 366.509 2.879 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC001177729822 1008717680 /nfs/dbraw/zinc/71/76/80/1008717680.db2.gz XZPFJYSWQFWDJM-SFHVURJKSA-N 1 0 367.559 2.827 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cnn(C)c1 ZINC000886751568 1008859189 /nfs/dbraw/zinc/85/91/89/1008859189.db2.gz UNSZXJIRGSRNBX-HXUWFJFHSA-N 1 0 369.513 2.609 20 10 FFCDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001178204532 1008905339 /nfs/dbraw/zinc/90/53/39/1008905339.db2.gz TUCQXBAUAHGLMU-ZDUSSCGKSA-N 1 0 352.398 2.595 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC3([NH+](C)C)CCCC3)C2)cc1 ZINC000823230864 1008974329 /nfs/dbraw/zinc/97/43/29/1008974329.db2.gz PETRQOJMKIMIPV-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001179117137 1009266188 /nfs/dbraw/zinc/26/61/88/1009266188.db2.gz YEZYYMWASKGQOI-SJLPKXTDSA-N 1 0 350.528 2.980 20 10 FFCDRO O=C(NCC[NH2+]Cc1ccc(N2CCOCC2)cc1)OCc1ccccc1 ZINC001179823004 1009473094 /nfs/dbraw/zinc/47/30/94/1009473094.db2.gz ZDLMIAYIJGGDPR-UHFFFAOYSA-N 1 0 369.465 2.539 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000861621077 1009488069 /nfs/dbraw/zinc/48/80/69/1009488069.db2.gz WMWWSRSOZQOQTD-BJJXKVORSA-N 1 0 372.435 2.982 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862278719 1009781043 /nfs/dbraw/zinc/78/10/43/1009781043.db2.gz JOSVUNKENZNNEL-DYVFJYSZSA-N 1 0 366.458 2.515 20 10 FFCDRO Cc1ccoc1CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663416 1010046127 /nfs/dbraw/zinc/04/61/27/1010046127.db2.gz QWYHJUYTYHJPRF-UHFFFAOYSA-N 1 0 356.470 2.681 20 10 FFCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncnc1 ZINC000863897502 1010350373 /nfs/dbraw/zinc/35/03/73/1010350373.db2.gz LBNJZKFLXKMYAK-CXAGYDPISA-N 1 0 374.872 2.720 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cncs3)C[C@H]2C)cc1C ZINC001093656089 1010422913 /nfs/dbraw/zinc/42/29/13/1010422913.db2.gz DEBAZZCHQPNONL-GDBMZVCRSA-N 1 0 359.495 2.958 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3c(C)ncn3C)C[C@H]2C)cc1C ZINC001093839857 1010610814 /nfs/dbraw/zinc/61/08/14/1010610814.db2.gz CJUYLVPQSGBPLI-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C)cc1C ZINC001094059886 1010786143 /nfs/dbraw/zinc/78/61/43/1010786143.db2.gz BRAQEZZIQWAYHF-IOESTIDPSA-N 1 0 372.509 2.755 20 10 FFCDRO CCCn1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nn1 ZINC000865517006 1010804259 /nfs/dbraw/zinc/80/42/59/1010804259.db2.gz KBKMXXDJRDUVJD-UHFFFAOYSA-N 1 0 368.529 2.510 20 10 FFCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171505407 1011361424 /nfs/dbraw/zinc/36/14/24/1011361424.db2.gz IZKPXDNFPMGJIU-NSHDSACASA-N 1 0 353.340 2.910 20 10 FFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001171870893 1011491705 /nfs/dbraw/zinc/49/17/05/1011491705.db2.gz XOPFYOFIPIJUMF-SFHVURJKSA-N 1 0 354.450 2.925 20 10 FFCDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000828018816 1032579746 /nfs/dbraw/zinc/57/97/46/1032579746.db2.gz MUVRFLVXCUETHS-UHFFFAOYSA-N 1 0 372.488 2.980 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)c(OC)c1 ZINC001172761168 1011998314 /nfs/dbraw/zinc/99/83/14/1011998314.db2.gz FIUAHZMEDGJAAN-MRXNPFEDSA-N 1 0 364.486 2.946 20 10 FFCDRO O=C1N(Cc2ccncc2)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275231871 1012111582 /nfs/dbraw/zinc/11/15/82/1012111582.db2.gz HWQQVSVLEOXJOG-UHFFFAOYSA-N 1 0 351.450 2.802 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275248285 1012137788 /nfs/dbraw/zinc/13/77/88/1012137788.db2.gz MYIPXQDCSUYBMK-LRDDRELGSA-N 1 0 364.873 2.741 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1O ZINC001275280526 1012201982 /nfs/dbraw/zinc/20/19/82/1012201982.db2.gz ZUXRWSLCTYYRGC-LJQANCHMSA-N 1 0 368.424 2.876 20 10 FFCDRO C[C@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1C(=O)OC(C)(C)C ZINC001173055388 1012213603 /nfs/dbraw/zinc/21/36/03/1012213603.db2.gz ITSHYYXAEZTVKZ-JSGCOSHPSA-N 1 0 366.458 2.724 20 10 FFCDRO CCCCC[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000828258199 1032638569 /nfs/dbraw/zinc/63/85/69/1032638569.db2.gz AELRTUSZQWTPHI-OAQYLSRUSA-N 1 0 373.541 2.776 20 10 FFCDRO O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001275577790 1012639221 /nfs/dbraw/zinc/63/92/21/1012639221.db2.gz FSOUOPYDNWEDJN-ZDUSSCGKSA-N 1 0 372.387 2.769 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275597459 1012665226 /nfs/dbraw/zinc/66/52/26/1012665226.db2.gz HOOPHHJCTJQXTI-NRFANRHFSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccc[nH]3)C2=O)cc1 ZINC001275602978 1012680150 /nfs/dbraw/zinc/68/01/50/1012680150.db2.gz NECFVLZYRSLSQI-OAQYLSRUSA-N 1 0 352.482 2.848 20 10 FFCDRO COc1cc(N2CC[NH+](CCc3ccncc3C)CC2)cc(OC)c1OC ZINC000828263395 1032643745 /nfs/dbraw/zinc/64/37/45/1032643745.db2.gz SJCHNJDYFMXFOC-UHFFFAOYSA-N 1 0 371.481 2.781 20 10 FFCDRO COc1cc(CN2CCC[C@]23CCN(C2CCCC2)C3=O)cc(O)c1O ZINC001275676277 1012830367 /nfs/dbraw/zinc/83/03/67/1012830367.db2.gz NJLYTRCMKICZBB-HXUWFJFHSA-N 1 0 360.454 2.616 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)C1=O ZINC001275770914 1012987598 /nfs/dbraw/zinc/98/75/98/1012987598.db2.gz HTVBVXZHWAMCBK-OAQYLSRUSA-N 1 0 360.498 2.858 20 10 FFCDRO CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1Cc1ccccc1 ZINC000828427741 1032699123 /nfs/dbraw/zinc/69/91/23/1032699123.db2.gz DIDJRKUJZMZTEO-HNNXBMFYSA-N 1 0 358.413 2.974 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccccc1O)c1nccn12 ZINC000924903952 1017540706 /nfs/dbraw/zinc/54/07/06/1017540706.db2.gz YOWRPGMOALWXFB-HNNXBMFYSA-N 1 0 370.453 2.769 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CC(C)C)CC2)cc1 ZINC000748806524 1017666027 /nfs/dbraw/zinc/66/60/27/1017666027.db2.gz AXWYWSCDWZAPMR-IBGZPJMESA-N 1 0 359.514 2.854 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925887192 1017883627 /nfs/dbraw/zinc/88/36/27/1017883627.db2.gz UWKWVZIYHDXJMH-ZVGUJKQYSA-N 1 0 354.450 2.889 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000925900962 1017889861 /nfs/dbraw/zinc/88/98/61/1017889861.db2.gz VDMFIHANZFBLDJ-KBXCAEBGSA-N 1 0 372.469 2.849 20 10 FFCDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000828519720 1032737556 /nfs/dbraw/zinc/73/75/56/1032737556.db2.gz YUJZXNUPVQRGSQ-NRFANRHFSA-N 1 0 362.514 2.929 20 10 FFCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000926874232 1018276855 /nfs/dbraw/zinc/27/68/55/1018276855.db2.gz RLLKMWRZCFLINY-OAHLLOKOSA-N 1 0 368.481 2.643 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000828564927 1032756412 /nfs/dbraw/zinc/75/64/12/1032756412.db2.gz YDXJSOIWVSARDE-RXVVDRJESA-N 1 0 371.525 2.792 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]([NH+]3CCCC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000827655091 1018593201 /nfs/dbraw/zinc/59/32/01/1018593201.db2.gz MOBKIZBTFUYJGU-SFHVURJKSA-N 1 0 370.472 2.981 20 10 FFCDRO C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000827725252 1018629012 /nfs/dbraw/zinc/62/90/12/1018629012.db2.gz DCJGXQVYZIWPPI-KRWDZBQOSA-N 1 0 359.514 3.000 20 10 FFCDRO CN(c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC000827821020 1018747233 /nfs/dbraw/zinc/74/72/33/1018747233.db2.gz LFVZAMNSATTZHM-UHFFFAOYSA-N 1 0 359.514 2.840 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000801595703 1019155659 /nfs/dbraw/zinc/15/56/59/1019155659.db2.gz INHUEVKGOHKMBS-QGZVFWFLSA-N 1 0 356.470 2.842 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000390737397 1019877526 /nfs/dbraw/zinc/87/75/26/1019877526.db2.gz QIKDRYRWPJJTJK-HZPDHXFCSA-N 1 0 362.470 2.995 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c(O)c1 ZINC000725848324 1020270114 /nfs/dbraw/zinc/27/01/14/1020270114.db2.gz PNZXYUNLCAQTKC-UHFFFAOYSA-N 1 0 370.449 2.553 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C1CC1 ZINC000828905346 1032897362 /nfs/dbraw/zinc/89/73/62/1032897362.db2.gz UWSKGYCBPYEXTE-INIZCTEOSA-N 1 0 358.413 2.877 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000900509360 1020460192 /nfs/dbraw/zinc/46/01/92/1020460192.db2.gz UKOUYOUNOJUNEI-QUCCMNQESA-N 1 0 357.498 2.797 20 10 FFCDRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2c(O)cccc2F)CC1 ZINC000902945432 1020589624 /nfs/dbraw/zinc/58/96/24/1020589624.db2.gz TXDJYFRDBAQOMT-UHFFFAOYSA-N 1 0 358.417 2.605 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)cc2)CC1 ZINC000903022230 1020634693 /nfs/dbraw/zinc/63/46/93/1020634693.db2.gz GKOMWZOOOKNJGS-SFHVURJKSA-N 1 0 367.497 2.778 20 10 FFCDRO C[NH2+][C@H]1C[C@H](Oc2cc3c(c(OC)c2C)C(=O)c2ccccc2C3=O)C1 ZINC001217954923 1032919099 /nfs/dbraw/zinc/91/90/99/1032919099.db2.gz UGQDADPPXDJBLA-JOCQHMNTSA-N 1 0 351.402 2.908 20 10 FFCDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217979289 1032929166 /nfs/dbraw/zinc/92/91/66/1032929166.db2.gz FTMRIIUTRIQMCI-PBHICJAKSA-N 1 0 369.392 2.945 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc2c(cc1O)CCCC2 ZINC000903399171 1020822616 /nfs/dbraw/zinc/82/26/16/1020822616.db2.gz VPTVAIGZNZWJAO-CZUORRHYSA-N 1 0 354.454 2.696 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001217988466 1032934706 /nfs/dbraw/zinc/93/47/06/1032934706.db2.gz OITOQVDTCADTLJ-MLGOLLRUSA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001217985830 1032934824 /nfs/dbraw/zinc/93/48/24/1032934824.db2.gz CTQLFUAXTMIXAX-MLGOLLRUSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1cc(O[C@H]2CCC[NH2+]CC2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217996792 1032939978 /nfs/dbraw/zinc/93/99/78/1032939978.db2.gz LSDLUIDAUFYNFJ-ZDUSSCGKSA-N 1 0 351.402 2.997 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000749557919 1021006184 /nfs/dbraw/zinc/00/61/84/1021006184.db2.gz HBBFAQURNOTQNS-ILZDJORESA-N 1 0 374.529 2.756 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](CO)CC2CCOCC2)c1O ZINC001116827335 1021440218 /nfs/dbraw/zinc/44/02/18/1021440218.db2.gz XNFCMSJRJAUGSK-CQSZACIVSA-N 1 0 372.303 2.978 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCCCCC1 ZINC000074504821 1021451926 /nfs/dbraw/zinc/45/19/26/1021451926.db2.gz FKBRJHWJBAUZOC-MRXNPFEDSA-N 1 0 363.477 2.543 20 10 FFCDRO COc1c(C)c(O[C@@H]2CC[NH2+]C[C@H]2F)cc2c1C(=O)c1ccccc1C2=O ZINC001218073826 1032980790 /nfs/dbraw/zinc/98/07/90/1032980790.db2.gz WLUUPYCDPUFHDC-HZPDHXFCSA-N 1 0 369.392 2.858 20 10 FFCDRO COc1cccc(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c1O ZINC000934940118 1021477791 /nfs/dbraw/zinc/47/77/91/1021477791.db2.gz ILKPBBCNLIXQGT-XFXZXTDPSA-N 1 0 370.449 2.671 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001117809301 1021909629 /nfs/dbraw/zinc/90/96/29/1021909629.db2.gz GCDZVTDYPSEVFN-HXUWFJFHSA-N 1 0 355.482 2.671 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2C(=O)COc3ccccc32)cc1 ZINC001117831175 1021927716 /nfs/dbraw/zinc/92/77/16/1021927716.db2.gz KHLSXUMDGOKFJB-AATRIKPKSA-N 1 0 351.450 2.781 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CCC3(C[NH2+]C3)C1)C(=O)c1ccccc1C2=O ZINC001218237793 1033064190 /nfs/dbraw/zinc/06/41/90/1033064190.db2.gz LFRSAXSTLVFOGN-ZDUSSCGKSA-N 1 0 363.413 2.992 20 10 FFCDRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001119472303 1022794243 /nfs/dbraw/zinc/79/42/43/1022794243.db2.gz YUGMHXFOVFDXKQ-ZBFHGGJFSA-N 1 0 370.419 2.565 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)ccn3C)cc2F)CC1 ZINC000189742914 1023333121 /nfs/dbraw/zinc/33/31/21/1023333121.db2.gz DQGJDAOBSXKRLQ-UHFFFAOYSA-N 1 0 358.461 2.545 20 10 FFCDRO COc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000754726911 1023508687 /nfs/dbraw/zinc/50/86/87/1023508687.db2.gz ASIIAIZRPBFUJH-UHFFFAOYSA-N 1 0 361.486 2.688 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)c3cccs3)CC2)cc1 ZINC000754828808 1023524323 /nfs/dbraw/zinc/52/43/23/1023524323.db2.gz CKLZKQBNQLXMPB-UHFFFAOYSA-N 1 0 373.522 2.930 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000756458090 1023713808 /nfs/dbraw/zinc/71/38/08/1023713808.db2.gz TWYLHGAQJLLLGZ-GOEBONIOSA-N 1 0 370.449 2.676 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000757687840 1023847792 /nfs/dbraw/zinc/84/77/92/1023847792.db2.gz IDGPAEITRSPLOT-KDOFPFPSSA-N 1 0 362.493 2.954 20 10 FFCDRO CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758224362 1023975002 /nfs/dbraw/zinc/97/50/02/1023975002.db2.gz RIDGXXOGIJBZAF-HXUWFJFHSA-N 1 0 370.493 2.820 20 10 FFCDRO O=C1[C@@H]2CCCN(Cc3c(O)cccc3F)[C@H]2C(=O)N1Cc1ccccc1 ZINC001137838825 1033181447 /nfs/dbraw/zinc/18/14/47/1033181447.db2.gz LFFXEKKPQQNLCU-DNVCBOLYSA-N 1 0 368.408 2.681 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000758522267 1024153990 /nfs/dbraw/zinc/15/39/90/1024153990.db2.gz KBBPZLSZFJGYAU-YADHBBJMSA-N 1 0 370.468 2.918 20 10 FFCDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3ccc(N4CCSCC4)cc3)ccc21 ZINC001121987964 1024238981 /nfs/dbraw/zinc/23/89/81/1024238981.db2.gz GETYWVGXNJWSEO-OAHLLOKOSA-N 1 0 370.522 2.636 20 10 FFCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000193041427 1024360227 /nfs/dbraw/zinc/36/02/27/1024360227.db2.gz GICLHVSOGZRITG-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(O)cc1C ZINC000758974284 1024405834 /nfs/dbraw/zinc/40/58/34/1024405834.db2.gz RGHCPOJKXNPQRA-MRXNPFEDSA-N 1 0 367.449 2.742 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000759172039 1024503888 /nfs/dbraw/zinc/50/38/88/1024503888.db2.gz PBBLTVICIUHMNH-ZWKOTPCHSA-N 1 0 359.514 2.760 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCCN(Cc4ccncc4)CC3)ccc21 ZINC001141140494 1025507512 /nfs/dbraw/zinc/50/75/12/1025507512.db2.gz NCGMYLQKGKKOLQ-UHFFFAOYSA-N 1 0 352.482 2.618 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)Cc2ccccc21 ZINC001141145640 1025521856 /nfs/dbraw/zinc/52/18/56/1025521856.db2.gz XIDIWAAITYSAFJ-SFHVURJKSA-N 1 0 352.434 2.788 20 10 FFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141145679 1025522754 /nfs/dbraw/zinc/52/27/54/1025522754.db2.gz GDMZCPQYISPLQA-SFHVURJKSA-N 1 0 369.465 2.962 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC001141157389 1025538668 /nfs/dbraw/zinc/53/86/68/1025538668.db2.gz GUFZWPDIMNXIEO-FPOVZHCZSA-N 1 0 370.449 2.943 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC001141159063 1025540718 /nfs/dbraw/zinc/54/07/18/1025540718.db2.gz XNEZRVXVTKNRSI-LKUPVBHCSA-N 1 0 370.449 2.689 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000837882957 1026085250 /nfs/dbraw/zinc/08/52/50/1026085250.db2.gz UHYFAAMWPKMFRD-XLIONFOSSA-N 1 0 374.529 2.708 20 10 FFCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc(C2CC2)[nH]1 ZINC000838895071 1026526883 /nfs/dbraw/zinc/52/68/83/1026526883.db2.gz LAPFTLFRKHJZGI-QGZVFWFLSA-N 1 0 355.438 2.946 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1 ZINC000839176291 1026612863 /nfs/dbraw/zinc/61/28/63/1026612863.db2.gz UFKGQWLHFHBAKH-UEKDZROGSA-N 1 0 360.498 2.771 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](C[C@@H]3CCC(=O)N3)C(C)C)cc2)CC1 ZINC000839670685 1026786930 /nfs/dbraw/zinc/78/69/30/1026786930.db2.gz WIZPLGMIVCWTCG-SFHVURJKSA-N 1 0 359.514 2.791 20 10 FFCDRO CN(CC(F)F)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092436901 1027324032 /nfs/dbraw/zinc/32/40/32/1027324032.db2.gz SGOUFUSUCREDFM-UHFFFAOYSA-N 1 0 366.456 2.625 20 10 FFCDRO CCOc1ccc(O)c(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000092665985 1027395670 /nfs/dbraw/zinc/39/56/70/1027395670.db2.gz CXACXAWTASMWFI-HDICACEKSA-N 1 0 361.530 2.781 20 10 FFCDRO Cc1ccc2c(c1Nc1cnn(C3C[NH2+]C3)c1)C(=O)c1ccccc1C2=O ZINC001159557964 1027431905 /nfs/dbraw/zinc/43/19/05/1027431905.db2.gz PDWQYFDWJMILHG-UHFFFAOYSA-N 1 0 358.401 2.855 20 10 FFCDRO Nc1ccc(N(Cc2ccccc2)c2cnc(N3CC[NH2+]CC3)nc2)cc1 ZINC001159713476 1027472312 /nfs/dbraw/zinc/47/23/12/1027472312.db2.gz RBICEFVULZWHSX-UHFFFAOYSA-N 1 0 360.465 2.807 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(O)cc1C ZINC000795659375 1027590391 /nfs/dbraw/zinc/59/03/91/1027590391.db2.gz YAGDUAQOJKYKMU-ZDUSSCGKSA-N 1 0 374.403 2.990 20 10 FFCDRO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093413309 1027713804 /nfs/dbraw/zinc/71/38/04/1027713804.db2.gz ZTVAMNVIMQEFOQ-IBGZPJMESA-N 1 0 366.509 2.797 20 10 FFCDRO [NH3+][C@H](c1ccccc1O)[C@H](Nc1ccc(F)c[n+]1[O-])c1ccccc1O ZINC001160616903 1027779082 /nfs/dbraw/zinc/77/90/82/1027779082.db2.gz XBXHEDNINOWTRN-RTBURBONSA-N 1 0 355.369 2.724 20 10 FFCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532157 1028217909 /nfs/dbraw/zinc/21/79/09/1028217909.db2.gz OCRRGSZYBIVOMM-XJKSGUPXSA-N 1 0 371.403 2.622 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccon3)C[C@H]2C)cc1C ZINC001103938769 1028396663 /nfs/dbraw/zinc/39/66/63/1028396663.db2.gz UUPNEIOASLZCRV-NVXWUHKLSA-N 1 0 357.454 2.880 20 10 FFCDRO NC(=O)c1ccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001155629452 1028825535 /nfs/dbraw/zinc/82/55/35/1028825535.db2.gz KATLYCNOJSFFQR-JRBPQWBISA-N 1 0 352.482 2.580 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1nc(C[NH3+])cc1C)N=[N+]=[N-] ZINC001163979519 1029133212 /nfs/dbraw/zinc/13/32/12/1029133212.db2.gz AQYJGWKJTQQOJQ-NVNXTCNLSA-N 1 0 355.402 2.866 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H](F)Oc3ccc(Cl)nc3)cc2)CC1 ZINC001156656402 1029290796 /nfs/dbraw/zinc/29/07/96/1029290796.db2.gz SELHDCSYXSZJDL-SFHVURJKSA-N 1 0 364.852 2.909 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(C)n1-c1ccccc1C ZINC001157549952 1029614782 /nfs/dbraw/zinc/61/47/82/1029614782.db2.gz TXYZDRMZGJFSPG-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(Cl)c1 ZINC000840890266 1029906721 /nfs/dbraw/zinc/90/67/21/1029906721.db2.gz LTIFZLZFQPKJDL-IBGZPJMESA-N 1 0 373.840 2.698 20 10 FFCDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C2CC3CC(C2)CC1C3 ZINC000840962633 1029946455 /nfs/dbraw/zinc/94/64/55/1029946455.db2.gz ILHYJXKBWCDAHC-UHFFFAOYSA-N 1 0 374.500 2.939 20 10 FFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044633 1029997235 /nfs/dbraw/zinc/99/72/35/1029997235.db2.gz DXRHJRQGYHTZBD-HLLBOEOZSA-N 1 0 369.456 2.709 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1ccccc1O ZINC000783521333 1030135774 /nfs/dbraw/zinc/13/57/74/1030135774.db2.gz VUCZXYYVSVKDMU-WDSOQIARSA-N 1 0 365.477 2.642 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000783537253 1030143633 /nfs/dbraw/zinc/14/36/33/1030143633.db2.gz WCZNYCNSYHVCAG-MOPGFXCFSA-N 1 0 369.513 2.718 20 10 FFCDRO C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC000841326143 1030197972 /nfs/dbraw/zinc/19/79/72/1030197972.db2.gz SSAFBHDNXNDCIF-HNNXBMFYSA-N 1 0 354.454 2.865 20 10 FFCDRO CCO[C@@H]1C[C@](CO)([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000783724966 1030254024 /nfs/dbraw/zinc/25/40/24/1030254024.db2.gz ZGSOWXQQEIWQAL-TZIWHRDSSA-N 1 0 362.514 2.820 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000841778979 1030460753 /nfs/dbraw/zinc/46/07/53/1030460753.db2.gz JRHCGDFHNIJHMG-BEFAXECRSA-N 1 0 360.502 2.575 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841793487 1030469803 /nfs/dbraw/zinc/46/98/03/1030469803.db2.gz LKTSKERGHLTLRI-FQEVSTJZSA-N 1 0 356.514 2.959 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cs2)cc1 ZINC000841849165 1030502802 /nfs/dbraw/zinc/50/28/02/1030502802.db2.gz YLJBMCQCVUJKEQ-UHFFFAOYSA-N 1 0 370.522 2.920 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C)CN1CCO ZINC000841891619 1030522146 /nfs/dbraw/zinc/52/21/46/1030522146.db2.gz MXPUVKHJVADBFB-MSOLQXFVSA-N 1 0 370.493 2.858 20 10 FFCDRO Cc1nc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4O)C3)C2=O)cs1 ZINC001203552209 1030758868 /nfs/dbraw/zinc/75/88/68/1030758868.db2.gz DYFGTFPLQIPRMB-LJQANCHMSA-N 1 0 357.479 2.782 20 10 FFCDRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]12)N1CCCCC1 ZINC001203552922 1030765180 /nfs/dbraw/zinc/76/51/80/1030765180.db2.gz VMTGBBIVIANLRI-QWFCFKBJSA-N 1 0 358.482 2.632 20 10 FFCDRO COc1cccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1O ZINC001203590066 1030773290 /nfs/dbraw/zinc/77/32/90/1030773290.db2.gz UFOCMWLLTLNHHZ-XAUMDUMWSA-N 1 0 356.422 2.607 20 10 FFCDRO COc1cccc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1O ZINC001203592703 1030775260 /nfs/dbraw/zinc/77/52/60/1030775260.db2.gz WQARDHZGJNJAFN-MRXNPFEDSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1O ZINC001203594097 1030778284 /nfs/dbraw/zinc/77/82/84/1030778284.db2.gz RQNXUXKSYZRKJU-VDZJLULYSA-N 1 0 370.449 2.854 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203600156 1030781223 /nfs/dbraw/zinc/78/12/23/1030781223.db2.gz TYBBNEAVWZDMDP-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1O ZINC001203601955 1030781479 /nfs/dbraw/zinc/78/14/79/1030781479.db2.gz SQCMVLKTUCNRAY-QGZVFWFLSA-N 1 0 358.413 2.934 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c1O ZINC001203602934 1030782061 /nfs/dbraw/zinc/78/20/61/1030782061.db2.gz CGRPAHWQIXVPIC-RRQGHBQHSA-N 1 0 359.426 2.834 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c1O ZINC001203607896 1030784693 /nfs/dbraw/zinc/78/46/93/1030784693.db2.gz CZYXKHZSBSUPOD-UHFFFAOYSA-N 1 0 361.486 2.903 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1O ZINC001203609236 1030785331 /nfs/dbraw/zinc/78/53/31/1030785331.db2.gz CYPQTUNLSPEWBN-NQIIRXRSSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001203623869 1030792910 /nfs/dbraw/zinc/79/29/10/1030792910.db2.gz XIKNEQPPQXOCGU-YLJYHZDGSA-N 1 0 372.440 2.877 20 10 FFCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203642795 1030800388 /nfs/dbraw/zinc/80/03/88/1030800388.db2.gz KUILYQXQQWGHQL-CQSZACIVSA-N 1 0 367.287 2.845 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1cc(Cl)ccc1O ZINC001203664687 1030812778 /nfs/dbraw/zinc/81/27/78/1030812778.db2.gz PYZSPRDJTZRVAD-UHFFFAOYSA-N 1 0 357.834 2.754 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001203671159 1030817444 /nfs/dbraw/zinc/81/74/44/1030817444.db2.gz LAJWXERCUBRPFX-SESVDKBCSA-N 1 0 370.449 2.744 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842720892 1030923712 /nfs/dbraw/zinc/92/37/12/1030923712.db2.gz AYCFBLPZPBEQRB-SFHVURJKSA-N 1 0 374.506 2.857 20 10 FFCDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(O)c(O)c2)cs1 ZINC001203877472 1030952150 /nfs/dbraw/zinc/95/21/50/1030952150.db2.gz SDIQBAUOQZKLBG-HZPDHXFCSA-N 1 0 373.478 2.628 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)cc1 ZINC001203931166 1030990799 /nfs/dbraw/zinc/99/07/99/1030990799.db2.gz NZFKQECWNNHZJN-GHTZIAJQSA-N 1 0 367.468 2.982 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000842852548 1030994303 /nfs/dbraw/zinc/99/43/03/1030994303.db2.gz OPNIRXQPZNFUAB-KRWDZBQOSA-N 1 0 356.422 2.902 20 10 FFCDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843130137 1031196538 /nfs/dbraw/zinc/19/65/38/1031196538.db2.gz YHSVBZPZOKHWNG-OAQYLSRUSA-N 1 0 355.457 2.720 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c(O)c1 ZINC001204272520 1031198902 /nfs/dbraw/zinc/19/89/02/1031198902.db2.gz CGDBTMPRSARMLZ-GOSISDBHSA-N 1 0 356.422 2.695 20 10 FFCDRO COCC[N@H+](Cc1ccc(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204277762 1031204404 /nfs/dbraw/zinc/20/44/04/1031204404.db2.gz LEDYQFPAOGJKSW-HNNXBMFYSA-N 1 0 366.458 2.556 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001204339241 1031234830 /nfs/dbraw/zinc/23/48/30/1031234830.db2.gz CDAYIAPKIFYYTA-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143105409 1031236960 /nfs/dbraw/zinc/23/69/60/1031236960.db2.gz UZPGSMPXARAETB-ZWKOTPCHSA-N 1 0 368.481 2.803 20 10 FFCDRO CC[N@H+](CCn1ccnc1)Cc1cc(Br)cc(OC)c1O ZINC001204341278 1031238586 /nfs/dbraw/zinc/23/85/86/1031238586.db2.gz BPOVDFLDDZVPFW-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)cc(O)c1O ZINC001204347890 1031241875 /nfs/dbraw/zinc/24/18/75/1031241875.db2.gz ZTFKHXBHAIIZIM-UHFFFAOYSA-N 1 0 354.406 2.592 20 10 FFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(O)c(O)c(OC)c1 ZINC001204349952 1031246431 /nfs/dbraw/zinc/24/64/31/1031246431.db2.gz ZCYSCLDSZWRFQF-OAHLLOKOSA-N 1 0 369.458 2.677 20 10 FFCDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350164 1031341106 /nfs/dbraw/zinc/34/11/06/1031341106.db2.gz NZYBVTDHMRMKQZ-CYBMUJFWSA-N 1 0 354.410 2.833 20 10 FFCDRO CCOc1ccc(CN(C)C(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350729 1031342297 /nfs/dbraw/zinc/34/22/97/1031342297.db2.gz XSDXGZAJVQKJMK-UHFFFAOYSA-N 1 0 367.493 2.955 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001205706438 1031946034 /nfs/dbraw/zinc/94/60/34/1031946034.db2.gz JGZYWYXPEGALLZ-KBPBESRZSA-N 1 0 366.458 2.687 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)ccc1N1CCCCC1 ZINC000830027947 1033433083 /nfs/dbraw/zinc/43/30/83/1033433083.db2.gz CNNHRDKWEHSQPX-FQEVSTJZSA-N 1 0 369.513 2.906 20 10 FFCDRO COCCCn1cc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000830492881 1033639135 /nfs/dbraw/zinc/63/91/35/1033639135.db2.gz UUQWKSACWSRMOK-UHFFFAOYSA-N 1 0 357.502 2.592 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000830545716 1033666294 /nfs/dbraw/zinc/66/62/94/1033666294.db2.gz MDGOXEIALYZJLF-GJZGRUSLSA-N 1 0 365.493 2.786 20 10 FFCDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001219653310 1033733069 /nfs/dbraw/zinc/73/30/69/1033733069.db2.gz CLTRXVMCDIISFT-ZIAGYGMSSA-N 1 0 358.511 2.852 20 10 FFCDRO O=C1COCCN1C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138222284 1033974046 /nfs/dbraw/zinc/97/40/46/1033974046.db2.gz QBDAWFLINPHRMM-UHFFFAOYSA-N 1 0 357.498 2.500 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3c(C)n(C)c4ccccc43)C2)C1=O ZINC001138255522 1034024958 /nfs/dbraw/zinc/02/49/58/1034024958.db2.gz KCVKAHQDZYHUBC-QFIPXVFZSA-N 1 0 369.509 2.948 20 10 FFCDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138258131 1034028924 /nfs/dbraw/zinc/02/89/24/1034028924.db2.gz MPVYVIBGBAOBHX-IEBWSBKVSA-N 1 0 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FC1CC[NH+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC001138498709 1034338088 /nfs/dbraw/zinc/33/80/88/1034338088.db2.gz AHXYANLCOGTEFS-UHFFFAOYSA-N 1 0 361.505 2.922 20 10 FFCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499425 1034341154 /nfs/dbraw/zinc/34/11/54/1034341154.db2.gz JBCZPGAIKHYQAH-UHFFFAOYSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)cc(O)c1O ZINC001221043459 1034521145 /nfs/dbraw/zinc/52/11/45/1034521145.db2.gz WWHUQLNJERNHRR-GOSISDBHSA-N 1 0 374.412 2.716 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000832272473 1034694591 /nfs/dbraw/zinc/69/45/91/1034694591.db2.gz GATCADWIKHBCSR-VDZJLULYSA-N 1 0 359.420 2.951 20 10 FFCDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1 ZINC000832286070 1034702921 /nfs/dbraw/zinc/70/29/21/1034702921.db2.gz VXRWFCFVDXWUAR-KUHUBIRLSA-N 1 0 371.456 2.917 20 10 FFCDRO COc1cc(CN2CCCC[C@H]2c2noc(C)n2)cc(C[NH+](C)C)c1O ZINC001139256480 1035030670 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FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC001140102540 1035343135 /nfs/dbraw/zinc/34/31/35/1035343135.db2.gz RIZYYLYUABUESV-BXUZGUMPSA-N 1 0 353.260 2.597 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+][C@H]2CCc3cccc(O)c32)cc(OC)c1 ZINC000834611798 1035418100 /nfs/dbraw/zinc/41/81/00/1035418100.db2.gz OJZGOFIAENZNRM-KXBFYZLASA-N 1 0 357.450 2.838 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(N4CC(F)(F)C4)CC3)cc2)CC1 ZINC001140285730 1035418983 /nfs/dbraw/zinc/41/89/83/1035418983.db2.gz PBJQTWYFUVJKQE-UHFFFAOYSA-N 1 0 365.468 2.563 20 10 FFCDRO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCN(C(C)=O)CC1 ZINC001140287925 1035419893 /nfs/dbraw/zinc/41/98/93/1035419893.db2.gz KCCYOBBRDDBCBG-UHFFFAOYSA-N 1 0 373.541 2.871 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)CN1CC1CC1 ZINC001140465312 1035485256 /nfs/dbraw/zinc/48/52/56/1035485256.db2.gz NQLWZKKJBPTLMG-UHFFFAOYSA-N 1 0 364.873 2.649 20 10 FFCDRO O=C(N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001140467860 1035486415 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FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(OC)cc3O)C2)nc1 ZINC001232271363 1035541496 /nfs/dbraw/zinc/54/14/96/1035541496.db2.gz VATNGLDTORTCHL-GFCCVEGCSA-N 1 0 365.817 2.506 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)OCC1=O ZINC001277211766 1035565964 /nfs/dbraw/zinc/56/59/64/1035565964.db2.gz ABTUPYQFPXCMSZ-LIRRHRJNSA-N 1 0 366.889 2.956 20 10 FFCDRO CCOCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277211769 1035566377 /nfs/dbraw/zinc/56/63/77/1035566377.db2.gz ACDVIIHMHPVGJQ-IBGZPJMESA-N 1 0 366.889 2.815 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001277215688 1035590888 /nfs/dbraw/zinc/59/08/88/1035590888.db2.gz YZRVUVNRBMXZPO-NRFANRHFSA-N 1 0 359.514 2.984 20 10 FFCDRO COC(=O)c1c(C[N@H+](C(C)C)[C@H]2CCN(C(C)=O)C2)c2ccccc2n1C ZINC001232404272 1035652090 /nfs/dbraw/zinc/65/20/90/1035652090.db2.gz QJIRHXRGRUYVGL-INIZCTEOSA-N 1 0 371.481 2.796 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c1 ZINC001140620346 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/nfs/dbraw/zinc/09/35/26/1036093526.db2.gz LFQSTOJIJJBPPS-CVEARBPZSA-N 1 0 367.465 2.895 20 10 FFCDRO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)cc1 ZINC001232839359 1036094211 /nfs/dbraw/zinc/09/42/11/1036094211.db2.gz HWLYOBWJUNZBBI-UHFFFAOYSA-N 1 0 353.466 2.983 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c(O)c1 ZINC001232840923 1036097554 /nfs/dbraw/zinc/09/75/54/1036097554.db2.gz MZKJQAASDOYJIW-UHFFFAOYSA-N 1 0 353.422 2.515 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(I)cc2O)C[C@H](C)[N@H+]1C ZINC001232979873 1036216125 /nfs/dbraw/zinc/21/61/25/1036216125.db2.gz JJWMBYOKTXAFQL-PHIMTYICSA-N 1 0 360.239 2.521 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)c(O)c1 ZINC001140855145 1036292349 /nfs/dbraw/zinc/29/23/49/1036292349.db2.gz OWGSIURMRLCMHL-UHFFFAOYSA-N 1 0 368.525 2.994 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(Br)cc(C)c2O)C1 ZINC001233110361 1036356878 /nfs/dbraw/zinc/35/68/78/1036356878.db2.gz BQKBFERDDUSGFP-OAHLLOKOSA-N 1 0 355.276 2.906 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1O ZINC001233111513 1036357044 /nfs/dbraw/zinc/35/70/44/1036357044.db2.gz ROAOMGQIXAPBHM-UHFFFAOYSA-N 1 0 370.291 2.699 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nccc4ccsc43)cc2)CC1 ZINC001536531720 1069998460 /nfs/dbraw/zinc/99/84/60/1069998460.db2.gz IKXBLWBDKMWFKS-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO CCOC(=O)c1c(C[N@H+](C)CCc2noc(C)n2)c2ccccc2n1C ZINC001233270413 1036477682 /nfs/dbraw/zinc/47/76/82/1036477682.db2.gz MVZRIIIJPZEEHP-UHFFFAOYSA-N 1 0 356.426 2.721 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H]3[C@H](C(=O)OCC)[C@H]3C2)c2ccccc2n1C ZINC001233273289 1036480145 /nfs/dbraw/zinc/48/01/45/1036480145.db2.gz WEZJDNAEPYSWDO-HWWDLCQESA-N 1 0 370.449 2.596 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c1 ZINC001233284945 1036493402 /nfs/dbraw/zinc/49/34/02/1036493402.db2.gz NIAKOABJJBDDIQ-GUDVDZBRSA-N 1 0 372.509 2.805 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233284780 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/nfs/dbraw/zinc/27/35/86/1038273586.db2.gz NWEVQCZAESUHNK-FQEVSTJZSA-N 1 0 368.477 2.878 20 10 FFCDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794535 1038274640 /nfs/dbraw/zinc/27/46/40/1038274640.db2.gz XJKXLBQHEAGXCK-JKSUJKDBSA-N 1 0 358.313 2.909 20 10 FFCDRO COc1cc(O)c(CN2CCN(c3nccc(Cl)n3)CC2)c(Cl)c1 ZINC001236804796 1038279250 /nfs/dbraw/zinc/27/92/50/1038279250.db2.gz ZSZCSUXYZFPRMW-UHFFFAOYSA-N 1 0 369.252 2.820 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(O)c1 ZINC001236808758 1038280702 /nfs/dbraw/zinc/28/07/02/1038280702.db2.gz LSTKLSMAUJVDPW-IERDGZPVSA-N 1 0 370.449 2.632 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236809109 1038283058 /nfs/dbraw/zinc/28/30/58/1038283058.db2.gz SZZGRRUAQKADEO-LSDHHAIUSA-N 1 0 351.340 2.937 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236809106 1038284082 /nfs/dbraw/zinc/28/40/82/1038284082.db2.gz SZZGRRUAQKADEO-GJZGRUSLSA-N 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ZINC001236845185 1038306617 /nfs/dbraw/zinc/30/66/17/1038306617.db2.gz ZLIKREITMOSDPE-GFCCVEGCSA-N 1 0 357.292 2.985 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001237039720 1038416768 /nfs/dbraw/zinc/41/67/68/1038416768.db2.gz CNVXWWCNVGGRIN-OALUTQOASA-N 1 0 366.461 2.995 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001237040150 1038417192 /nfs/dbraw/zinc/41/71/92/1038417192.db2.gz FFVBJOAOSQSOIK-OAQYLSRUSA-N 1 0 352.434 2.911 20 10 FFCDRO Cc1ccc(N2CCO[C@H]3C[N@@H+](Cc4ccc(C(C)C)cc4O)C[C@H]32)nn1 ZINC001237048648 1038423296 /nfs/dbraw/zinc/42/32/96/1038423296.db2.gz MCJWZBPTPQJJGR-QUCCMNQESA-N 1 0 368.481 2.704 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055632 1038425890 /nfs/dbraw/zinc/42/58/90/1038425890.db2.gz HMLMXGANOOEIAZ-ZDUSSCGKSA-N 1 0 360.376 2.634 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(Br)c1 ZINC001237059019 1038427285 /nfs/dbraw/zinc/42/72/85/1038427285.db2.gz FAEXQUMVSDEGNX-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c(Br)c1 ZINC001237067484 1038433506 /nfs/dbraw/zinc/43/35/06/1038433506.db2.gz JMGGFZUGMZONJZ-NSHDSACASA-N 1 0 372.259 2.891 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)[C@H]1C ZINC001237073865 1038436410 /nfs/dbraw/zinc/43/64/10/1038436410.db2.gz WGSXVTYWCYJOCE-JQWIXIFHSA-N 1 0 372.259 2.937 20 10 FFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237074004 1038436572 /nfs/dbraw/zinc/43/65/72/1038436572.db2.gz YZSWOJCNXIOSAT-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237073856 1038436875 /nfs/dbraw/zinc/43/68/75/1038436875.db2.gz WBFQCCXUCJRERA-MNOVXSKESA-N 1 0 372.259 2.937 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2([C@H]3CCCCO3)CC2)[NH+](C)C)cc1 ZINC001256237031 1038445868 /nfs/dbraw/zinc/44/58/68/1038445868.db2.gz PHQMMPSKAIGOIY-RBUKOAKNSA-N 1 0 374.529 2.756 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001237124633 1038451142 /nfs/dbraw/zinc/45/11/42/1038451142.db2.gz DFXOZRICYRYMGY-NSHDSACASA-N 1 0 355.316 2.734 20 10 FFCDRO COc1ccnc(N2CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)n1 ZINC001237140697 1038453588 /nfs/dbraw/zinc/45/35/88/1038453588.db2.gz NSSPNPCDKSQYQI-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO COc1ccc(N2CC[NH+](C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001256587660 1038571086 /nfs/dbraw/zinc/57/10/86/1038571086.db2.gz OBSASZCAEDESQA-UHFFFAOYSA-N 1 0 366.509 2.877 20 10 FFCDRO COC1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4cc(C)ccc4O)[C@@H]3C2)CCC1 ZINC001278615291 1038817540 /nfs/dbraw/zinc/81/75/40/1038817540.db2.gz NWCCYNRJRLODGE-FUHWJXTLSA-N 1 0 358.482 2.693 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)c1 ZINC001278617147 1038842602 /nfs/dbraw/zinc/84/26/02/1038842602.db2.gz STSMGWUYJJMGED-OKILXGFUSA-N 1 0 357.376 2.621 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4c[nH]nc4C)C3)C2)cc1 ZINC001209552496 1038981388 /nfs/dbraw/zinc/98/13/88/1038981388.db2.gz HPOATEBOLPFBMM-NRFANRHFSA-N 1 0 370.497 2.846 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001251409998 1039115718 /nfs/dbraw/zinc/11/57/18/1039115718.db2.gz PWWKGYBXUORNML-FQEVSTJZSA-N 1 0 363.502 2.556 20 10 FFCDRO c1ccc(C[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[NH2+]2)cc1 ZINC001210311618 1039481348 /nfs/dbraw/zinc/48/13/48/1039481348.db2.gz LBIJKRMSDSHGOD-OAQYLSRUSA-N 1 0 351.494 2.540 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CN(CC2CCCC2)C(=O)CO3)c1O ZINC001276684237 1039554426 /nfs/dbraw/zinc/55/44/26/1039554426.db2.gz ZMLJBUZLAOITIQ-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO C[C@@H]1CC[C@@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C[NH2+]1 ZINC001246999872 1039570910 /nfs/dbraw/zinc/57/09/10/1039570910.db2.gz KIGSINFOTDYNRI-WIYYLYMNSA-N 1 0 366.509 2.923 20 10 FFCDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1Cl ZINC001278491269 1039884741 /nfs/dbraw/zinc/88/47/41/1039884741.db2.gz SKNBDAKPKIVGTC-GOOCMWNKSA-N 1 0 354.878 2.751 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCC3(C[NH+](C)C3)CC2)c1 ZINC001278731874 1040252283 /nfs/dbraw/zinc/25/22/83/1040252283.db2.gz OHRJIKHQXXBMRP-UHFFFAOYSA-N 1 0 353.466 2.968 20 10 FFCDRO C[NH+]1CCN(C2CN(Cc3cc(Cl)c(C(C)(C)C)cc3O)C2)CC1 ZINC001248885505 1040493304 /nfs/dbraw/zinc/49/33/04/1040493304.db2.gz ZHWUSUSUFSVTGI-UHFFFAOYSA-N 1 0 351.922 2.775 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c(O)c1 ZINC001249201467 1040626263 /nfs/dbraw/zinc/62/62/63/1040626263.db2.gz TZQINOCLRXDHAQ-UHFFFAOYSA-N 1 0 368.477 2.816 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC(N4CCOCC4)CC3)ccc2O1 ZINC001249223207 1040638261 /nfs/dbraw/zinc/63/82/61/1040638261.db2.gz BFMFKAKSWAGOJA-UHFFFAOYSA-N 1 0 358.482 2.873 20 10 FFCDRO CCC[NH+]1CCN(Cc2ccc(OCCCC(=O)OCC)cc2O)CC1 ZINC001249736656 1040969109 /nfs/dbraw/zinc/96/91/09/1040969109.db2.gz ALFBYRQRTRKSEC-UHFFFAOYSA-N 1 0 364.486 2.642 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CC[NH2+]CC2)cc1 ZINC001261453328 1041246567 /nfs/dbraw/zinc/24/65/67/1041246567.db2.gz CACNIVXSCXNJBE-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO CN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001255411387 1041329861 /nfs/dbraw/zinc/32/98/61/1041329861.db2.gz HTBMOKAHUXHXDB-SFHVURJKSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(C[NH+](C)C)c1O ZINC001250766816 1041352972 /nfs/dbraw/zinc/35/29/72/1041352972.db2.gz LEVSLBXJFLGZIQ-UHFFFAOYSA-N 1 0 355.394 2.777 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC001261814059 1041432880 /nfs/dbraw/zinc/43/28/80/1041432880.db2.gz ODXUUCGCNHKUEZ-QUCCMNQESA-N 1 0 367.484 2.888 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC001262077519 1041540430 /nfs/dbraw/zinc/54/04/30/1041540430.db2.gz GMJFOKSVZPPXJF-UHFFFAOYSA-N 1 0 371.525 2.970 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)CCC1 ZINC001262379311 1041666926 /nfs/dbraw/zinc/66/69/26/1041666926.db2.gz XHEBSFZGEONTAL-GQCTYLIASA-N 1 0 372.509 2.936 20 10 FFCDRO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001263011244 1042031245 /nfs/dbraw/zinc/03/12/45/1042031245.db2.gz WFXNYCYJZMFOPS-BFHYXJOUSA-N 1 0 361.515 2.899 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(F)ccc2O)C3)CCC1 ZINC001279191901 1042939915 /nfs/dbraw/zinc/93/99/15/1042939915.db2.gz CUHBALMDSHDCHO-YOEHRIQHSA-N 1 0 362.445 2.523 20 10 FFCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)c(Cl)c1 ZINC001279333968 1043007918 /nfs/dbraw/zinc/00/79/18/1043007918.db2.gz VGICCSCBJMQMGF-UHFFFAOYSA-N 1 0 359.905 2.837 20 10 FFCDRO [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279421225 1043093900 /nfs/dbraw/zinc/09/39/00/1043093900.db2.gz CAQFEJGCGSXUJE-CALCHBBNSA-N 1 0 358.461 2.572 20 10 FFCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c(C)cc(C)cc2O)n(C)n1 ZINC001279432366 1043106228 /nfs/dbraw/zinc/10/62/28/1043106228.db2.gz IKZMSNWRXOIYPC-PMACEKPBSA-N 1 0 354.498 2.900 20 10 FFCDRO COC(=O)Cc1cccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001237484451 1043197029 /nfs/dbraw/zinc/19/70/29/1043197029.db2.gz WOADDXHZGGKLPS-UHFFFAOYSA-N 1 0 354.450 2.733 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001237487813 1043200165 /nfs/dbraw/zinc/20/01/65/1043200165.db2.gz DPOYPYBIVTYDCJ-OAQYLSRUSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 ZINC001237492488 1043205631 /nfs/dbraw/zinc/20/56/31/1043205631.db2.gz RNXVOBDAMHEOBC-UHFFFAOYSA-N 1 0 365.433 2.868 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001279514435 1043210518 /nfs/dbraw/zinc/21/05/18/1043210518.db2.gz RXKQFAASGWLSHG-UHFFFAOYSA-N 1 0 366.387 2.842 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)c1O ZINC001237679325 1043306960 /nfs/dbraw/zinc/30/69/60/1043306960.db2.gz HQCHTWBKLDVJCZ-UHFFFAOYSA-N 1 0 371.872 2.854 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(OC)n3)C2)c(O)c(OC)c1 ZINC001237682684 1043308559 /nfs/dbraw/zinc/30/85/59/1043308559.db2.gz CEMILZJMSPCYOH-HNNXBMFYSA-N 1 0 374.437 2.856 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237684946 1043311336 /nfs/dbraw/zinc/31/13/36/1043311336.db2.gz ASPYIFZTNFSLSX-UHFFFAOYSA-N 1 0 354.878 2.861 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC(=O)N(C(C)C)C3)CC2)c(O)c(OC)c1 ZINC001237686138 1043313659 /nfs/dbraw/zinc/31/36/59/1043313659.db2.gz XUSYAIYXYNQSSP-UHFFFAOYSA-N 1 0 362.470 2.632 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001237779854 1043352267 /nfs/dbraw/zinc/35/22/67/1043352267.db2.gz JOGUGZDGWZECRJ-CYBMUJFWSA-N 1 0 372.250 2.667 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NCC(F)(F)F)c(O)c1 ZINC001279664103 1043425301 /nfs/dbraw/zinc/42/53/01/1043425301.db2.gz RPIDRYQINPNSLH-GJZGRUSLSA-N 1 0 371.403 2.875 20 10 FFCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1O ZINC001279665548 1043430298 /nfs/dbraw/zinc/43/02/98/1043430298.db2.gz QRGDRHJEIJVTRT-OKILXGFUSA-N 1 0 358.313 2.909 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1O ZINC001238060529 1043506481 /nfs/dbraw/zinc/50/64/81/1043506481.db2.gz IWQNCGBEJJEZEP-CVEARBPZSA-N 1 0 361.442 2.785 20 10 FFCDRO Cc1cc(F)cc(CN2CCc3onc(C(=O)N4CCCC4)c3C2)c1O ZINC001238061991 1043508260 /nfs/dbraw/zinc/50/82/60/1043508260.db2.gz SAXBQFDDVHHJDQ-UHFFFAOYSA-N 1 0 359.401 2.622 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1O ZINC001238061627 1043508652 /nfs/dbraw/zinc/50/86/52/1043508652.db2.gz PFMXLZPBODACIV-OAQYLSRUSA-N 1 0 369.440 2.859 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)cc1 ZINC001279744661 1043575967 /nfs/dbraw/zinc/57/59/67/1043575967.db2.gz UNFBMJOFSZMWHP-KRWDZBQOSA-N 1 0 361.555 2.975 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCCN(c1ccc(OC)cc1OC)C2 ZINC001279759168 1043598392 /nfs/dbraw/zinc/59/83/92/1043598392.db2.gz QEPHAVWGOJXMAN-HXUWFJFHSA-N 1 0 364.486 2.617 20 10 FFCDRO O=S(=O)(N[C@H]1[C@@H]2C[C@H]1C[NH2+]C2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238302746 1043641698 /nfs/dbraw/zinc/64/16/98/1043641698.db2.gz PYXVBFSCQPGEEK-RCLDQXMYSA-N 1 0 356.451 2.988 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cnc(C3CC3)nc2)[NH+](C)C)cc1 ZINC001310259762 1043658668 /nfs/dbraw/zinc/65/86/68/1043658668.db2.gz SQQFEJWQUAIFIF-GOSISDBHSA-N 1 0 368.485 2.844 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C34CC(C(=O)N5CCCCO5)(C3)C4)ccc21 ZINC001279881618 1043836201 /nfs/dbraw/zinc/83/62/01/1043836201.db2.gz IYJGLMZGJUZGIQ-UHFFFAOYSA-N 1 0 355.482 2.635 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C2CC(F)(F)C2)c(O)c1 ZINC001279980010 1044026231 /nfs/dbraw/zinc/02/62/31/1044026231.db2.gz JEKQDHDICCDKCB-ORAYPTAESA-N 1 0 366.408 2.621 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)Nc3ccc(O)cc3O)C2)c(O)c1 ZINC001280047155 1044134274 /nfs/dbraw/zinc/13/42/74/1044134274.db2.gz ZRVLGPUMDVTVAY-OAHLLOKOSA-N 1 0 354.406 2.572 20 10 FFCDRO Cc1cc(-c2cc(N3CCc4ccccc43)ncn2)cnc1N1CC[NH2+]CC1 ZINC001239729414 1044159684 /nfs/dbraw/zinc/15/96/84/1044159684.db2.gz RDXSLSTVDABSQH-UHFFFAOYSA-N 1 0 372.476 2.951 20 10 FFCDRO NC(=O)[C@@H]1OC2(CC[NH+](Cc3cc(F)ccc3O)CC2)c2ccccc21 ZINC001280292172 1044560175 /nfs/dbraw/zinc/56/01/75/1044560175.db2.gz IDGFYDNVAQVNIA-GOSISDBHSA-N 1 0 356.397 2.579 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001280313095 1044588748 /nfs/dbraw/zinc/58/87/48/1044588748.db2.gz PUXYIZRHRKGWAP-LRDDRELGSA-N 1 0 353.260 2.632 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)Nc2cn[nH]c2)c1O ZINC001280345820 1044634222 /nfs/dbraw/zinc/63/42/22/1044634222.db2.gz FEOSHOAERMFPMP-MRXNPFEDSA-N 1 0 372.494 2.678 20 10 FFCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850249 1044673781 /nfs/dbraw/zinc/67/37/81/1044673781.db2.gz UURIKAQRSYDXGS-CABCVRRESA-N 1 0 362.474 2.978 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001539301183 1070608553 /nfs/dbraw/zinc/60/85/53/1070608553.db2.gz AIBBCVJFROIIAS-QUCCMNQESA-N 1 0 359.514 2.602 20 10 FFCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC001319706723 1045247919 /nfs/dbraw/zinc/24/79/19/1045247919.db2.gz AIOXTMRMZIPEPP-UHFFFAOYSA-N 1 0 360.248 2.937 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)cc2F)CC1 ZINC001319869634 1045289647 /nfs/dbraw/zinc/28/96/47/1045289647.db2.gz FNHRIIARTBZPIK-HXUWFJFHSA-N 1 0 361.505 2.969 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)cc2F)CC1 ZINC001319961634 1045313472 /nfs/dbraw/zinc/31/34/72/1045313472.db2.gz CXUIVLUVWARHLM-LJQANCHMSA-N 1 0 361.505 2.826 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC001320130461 1045353501 /nfs/dbraw/zinc/35/35/01/1045353501.db2.gz LDBBGCBNHXBRCN-BBRMVZONSA-N 1 0 364.511 2.795 20 10 FFCDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCOCC1 ZINC001323560211 1045640211 /nfs/dbraw/zinc/64/02/11/1045640211.db2.gz IUQCZLNIVGRPDY-KRWDZBQOSA-N 1 0 357.420 2.640 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001324443188 1046033041 /nfs/dbraw/zinc/03/30/41/1046033041.db2.gz RWDCMOKWDZZYHO-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325712849 1046619778 /nfs/dbraw/zinc/61/97/78/1046619778.db2.gz DTIOOMVKJDRLHT-XLIONFOSSA-N 1 0 360.521 2.636 20 10 FFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001326688335 1047036709 /nfs/dbraw/zinc/03/67/09/1047036709.db2.gz QDBOQDBDDZRVAR-DOTOQJQBSA-N 1 0 358.511 2.919 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001326942649 1047141318 /nfs/dbraw/zinc/14/13/18/1047141318.db2.gz HQFPPGDFHOVXDY-UHFFFAOYSA-N 1 0 367.493 2.744 20 10 FFCDRO Cc1cccc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001288331285 1047449658 /nfs/dbraw/zinc/44/96/58/1047449658.db2.gz ZBNYNDUQJCCXJR-UHFFFAOYSA-N 1 0 351.494 2.996 20 10 FFCDRO COCC1(C2CCC2)C[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328273165 1048243373 /nfs/dbraw/zinc/24/33/73/1048243373.db2.gz JQGLZELSKCXQMC-UHFFFAOYSA-N 1 0 361.505 2.826 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NCc1cccc2c1CC[NH2+]C2 ZINC001332510304 1048427530 /nfs/dbraw/zinc/42/75/30/1048427530.db2.gz IPVPYEYCUHSMRJ-UHFFFAOYSA-N 1 0 364.493 2.932 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001332741621 1048541124 /nfs/dbraw/zinc/54/11/24/1048541124.db2.gz BIJTVPDGRIGIDT-UHFFFAOYSA-N 1 0 353.466 2.549 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@H]34)cc2F)CC1 ZINC001329113375 1048581523 /nfs/dbraw/zinc/58/15/23/1048581523.db2.gz JPZVYMRKBCITCX-TZIWHRDSSA-N 1 0 360.521 2.684 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001329283337 1048651064 /nfs/dbraw/zinc/65/10/64/1048651064.db2.gz JFZSUDVYZDTCKX-MRXNPFEDSA-N 1 0 365.477 2.597 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC001330661860 1049258399 /nfs/dbraw/zinc/25/83/99/1049258399.db2.gz QADQVBLFJOBRBE-HXUWFJFHSA-N 1 0 360.498 2.793 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](Cn2c(CC)nnc2N(C)Cc2ccccc2O)C1 ZINC001294662065 1049791329 /nfs/dbraw/zinc/79/13/29/1049791329.db2.gz ZZHUIVXPDXDYHP-MRXNPFEDSA-N 1 0 357.502 2.914 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000742928473 1049992511 /nfs/dbraw/zinc/99/25/11/1049992511.db2.gz SJUAUUKVIBVVPU-UHFFFAOYSA-N 1 0 356.426 2.838 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC001341535528 1050165163 /nfs/dbraw/zinc/16/51/63/1050165163.db2.gz UWKZFCNJVHHLPL-CQSZACIVSA-N 1 0 365.399 2.746 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001341629347 1050255915 /nfs/dbraw/zinc/25/59/15/1050255915.db2.gz DCIJMLMJJMTSQD-TYPHKJRUSA-N 1 0 371.525 2.792 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1C1CC[NH2+]CC1 ZINC001341740332 1050358553 /nfs/dbraw/zinc/35/85/53/1050358553.db2.gz AQSTWQICMINLDG-UHFFFAOYSA-N 1 0 355.438 2.656 20 10 FFCDRO C[C@H]1[NH2+]CCn2c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 ZINC001340319004 1050717110 /nfs/dbraw/zinc/71/71/10/1050717110.db2.gz DQVRTTSYLLGISL-WBVHZDCISA-N 1 0 369.465 2.679 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nccc4ccccc43)cc2)CC1 ZINC001303086262 1051272930 /nfs/dbraw/zinc/27/29/30/1051272930.db2.gz WMVXSGNTGRFWAO-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO CC[NH+]1CCC(C(=O)NCc2c(O)cccc2O)(c2ccccc2)CC1 ZINC001304053833 1051515575 /nfs/dbraw/zinc/51/55/75/1051515575.db2.gz TVUFQQXTCRIVCH-UHFFFAOYSA-N 1 0 354.450 2.768 20 10 FFCDRO Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001304238852 1051577944 /nfs/dbraw/zinc/57/79/44/1051577944.db2.gz XPHKTCQNVAZCFC-JXFKEZNVSA-N 1 0 368.529 2.682 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)cs2)cc1 ZINC001341219743 1051579859 /nfs/dbraw/zinc/57/98/59/1051579859.db2.gz NLDUYTQLVKRGFL-LJQANCHMSA-N 1 0 356.495 2.674 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cc2F)CC1 ZINC001343915543 1052486730 /nfs/dbraw/zinc/48/67/30/1052486730.db2.gz SQKSUTONEVTAIX-FQEVSTJZSA-N 1 0 361.436 2.540 20 10 FFCDRO COC(=O)C1([C@@]2(O)CCC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)CCC1 ZINC001308955785 1052527025 /nfs/dbraw/zinc/52/70/25/1052527025.db2.gz ZVLDBERVYLJKOJ-ZMTJCJBESA-N 1 0 372.509 2.936 20 10 FFCDRO Cc1nn(C)c(C)c1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001336027482 1053716423 /nfs/dbraw/zinc/71/64/23/1053716423.db2.gz AKNXPMWLJDJEDQ-KRWDZBQOSA-N 1 0 358.490 2.527 20 10 FFCDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(N3CCN(C)CC3)c(F)c1)C2 ZINC001347212752 1053725435 /nfs/dbraw/zinc/72/54/35/1053725435.db2.gz YIPGQOYTDDUSBV-UHFFFAOYSA-N 1 0 361.505 2.969 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](Cc3cc(Cl)ccc3O)CC2)CCC1 ZINC001336889680 1054318189 /nfs/dbraw/zinc/31/81/89/1054318189.db2.gz WLCQRAORFXBXSI-UHFFFAOYSA-N 1 0 353.846 2.716 20 10 FFCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001337273985 1054615452 /nfs/dbraw/zinc/61/54/52/1054615452.db2.gz FCJXMNFJDWVTDU-QGZVFWFLSA-N 1 0 363.521 2.856 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)ccc21 ZINC001351974567 1055094968 /nfs/dbraw/zinc/09/49/68/1055094968.db2.gz AFPOIHYOBZYCOW-SLFFLAALSA-N 1 0 370.541 2.941 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC(O)(C4CCC4)CC3)cc2F)CC1 ZINC001352087514 1055181003 /nfs/dbraw/zinc/18/10/03/1055181003.db2.gz BAWDPWLPPIXLBB-UHFFFAOYSA-N 1 0 361.505 2.705 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000848912361 1055353176 /nfs/dbraw/zinc/35/31/76/1055353176.db2.gz PTDFOELBEBWOPQ-NHCUHLMSSA-N 1 0 354.494 2.927 20 10 FFCDRO CC(C)C[C@](C)(C[NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001357368668 1055881068 /nfs/dbraw/zinc/88/10/68/1055881068.db2.gz QNBRNDZPUOGODL-OAQYLSRUSA-N 1 0 361.530 2.523 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001357668517 1055979005 /nfs/dbraw/zinc/97/90/05/1055979005.db2.gz OBTWWZBSZRYCTQ-OXQOHEQNSA-N 1 0 352.482 2.979 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](Cc3ccc(Cl)cc3)C(N)=O)C2)cc1 ZINC000849323476 1056828344 /nfs/dbraw/zinc/82/83/44/1056828344.db2.gz YJMMAXGSGCDVMA-QFBILLFUSA-N 1 0 373.884 2.614 20 10 FFCDRO COCOCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000848166923 1059216267 /nfs/dbraw/zinc/21/62/67/1059216267.db2.gz IILKREZMVWRIJS-UHFFFAOYSA-N 1 0 373.497 2.535 20 10 FFCDRO Cc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c(C)n1-c1ccccn1 ZINC001454285693 1059487913 /nfs/dbraw/zinc/48/79/13/1059487913.db2.gz LJHLMADYVZYFDA-SFTDATJTSA-N 1 0 352.482 2.903 20 10 FFCDRO COc1ccc(C[NH2+]CCc2ccnn2-c2ccccc2)c(O)c1OC ZINC001355350498 1060156814 /nfs/dbraw/zinc/15/68/14/1060156814.db2.gz WAIDBKZZPCEVHE-UHFFFAOYSA-N 1 0 353.422 2.927 20 10 FFCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)NCc1ccccc1 ZINC001461109710 1061214079 /nfs/dbraw/zinc/21/40/79/1061214079.db2.gz KZXMNQPTZBORMA-LBPRGKRZSA-N 1 0 363.255 2.949 20 10 FFCDRO Cc1noc(C2CC([NH2+]Cc3cc(F)c(N4CCOCC4)c(F)c3)C2)n1 ZINC001462336393 1061587484 /nfs/dbraw/zinc/58/74/84/1061587484.db2.gz VSGTYSNQTISAJC-UHFFFAOYSA-N 1 0 364.396 2.529 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCOC2CCCC2)[NH+](C)C)cc1 ZINC001477536476 1061731679 /nfs/dbraw/zinc/73/16/79/1061731679.db2.gz OVUZALKWSJWIBD-LJQANCHMSA-N 1 0 362.518 2.614 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(F)cc3F)cc2)CC1 ZINC001477645662 1061763450 /nfs/dbraw/zinc/76/34/50/1061763450.db2.gz DMMRHOQOGZTUAC-UHFFFAOYSA-N 1 0 374.435 2.716 20 10 FFCDRO CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001478859171 1062132727 /nfs/dbraw/zinc/13/27/27/1062132727.db2.gz CMUQIVNCLIRVTC-MRXNPFEDSA-N 1 0 362.518 2.599 20 10 FFCDRO CCOC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001479185328 1062277231 /nfs/dbraw/zinc/27/72/31/1062277231.db2.gz GUYXLDLILNDDQT-FQEVSTJZSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc(C)cn3)C2)cc1C ZINC001479438337 1062399332 /nfs/dbraw/zinc/39/93/32/1062399332.db2.gz WZBLYVMUZZVQHD-RBUKOAKNSA-N 1 0 370.497 2.583 20 10 FFCDRO CO[C@]1(C)CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001479532499 1062501131 /nfs/dbraw/zinc/50/11/31/1062501131.db2.gz DAQSTRIQRQSSRI-UYAOXDASSA-N 1 0 362.518 2.566 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4scnc43)cc2)CC1 ZINC001438895577 1063068410 /nfs/dbraw/zinc/06/84/10/1063068410.db2.gz BMASPAPKISDGEI-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCCSc1nccs1 ZINC001469329103 1064128560 /nfs/dbraw/zinc/12/85/60/1064128560.db2.gz IKCCGZYZFBDSQE-AWEZNQCLSA-N 1 0 356.561 2.997 20 10 FFCDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCCSc1nccs1 ZINC001469329106 1064129003 /nfs/dbraw/zinc/12/90/03/1064129003.db2.gz IKCCGZYZFBDSQE-CQSZACIVSA-N 1 0 356.561 2.997 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](CC)CO1 ZINC001471190224 1064595760 /nfs/dbraw/zinc/59/57/60/1064595760.db2.gz GYRZLGMDMNMJPO-UYAOXDASSA-N 1 0 374.529 2.537 20 10 FFCDRO C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001471544981 1064711408 /nfs/dbraw/zinc/71/14/08/1064711408.db2.gz PVEFRFRBRSAHBZ-YJBOKZPZSA-N 1 0 362.518 2.564 20 10 FFCDRO CCO[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001471545331 1064711854 /nfs/dbraw/zinc/71/18/54/1064711854.db2.gz QUDNEWSLORDNBQ-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001546188413 1064758776 /nfs/dbraw/zinc/75/87/76/1064758776.db2.gz ZGJOSYHQVRIUNJ-QGZVFWFLSA-N 1 0 359.514 2.901 20 10 FFCDRO C[C@H]1CCc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn2C1 ZINC001472280515 1064997958 /nfs/dbraw/zinc/99/79/58/1064997958.db2.gz FOZMJIVWNQGBOZ-HNAYVOBHSA-N 1 0 369.513 2.564 20 10 FFCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H]1CC(=O)N(C)C1=O ZINC001473420278 1065261303 /nfs/dbraw/zinc/26/13/03/1065261303.db2.gz ZZNHXDHKTIZCQZ-IBGZPJMESA-N 1 0 357.498 2.955 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001474030785 1065444031 /nfs/dbraw/zinc/44/40/31/1065444031.db2.gz BAKOBWDBEPETGT-DYVFJYSZSA-N 1 0 351.454 2.504 20 10 FFCDRO O=C(NCC1CC1)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC001474423751 1065518673 /nfs/dbraw/zinc/51/86/73/1065518673.db2.gz AWEKSJPKTAOARB-UHFFFAOYSA-N 1 0 371.525 2.576 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC001474699007 1065584562 /nfs/dbraw/zinc/58/45/62/1065584562.db2.gz GUGSUTSJGMAEDC-DYXWJJEUSA-N 1 0 373.541 2.693 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001579617286 1078650800 /nfs/dbraw/zinc/65/08/00/1078650800.db2.gz NMWQWMJZVIDMDN-DAXOMENPSA-N 1 0 372.435 2.523 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@H](C)[NH+](C)C)CCCC1 ZINC001584196555 1079320530 /nfs/dbraw/zinc/32/05/30/1079320530.db2.gz WKYJMJOAEVXGIL-HNNXBMFYSA-N 1 0 357.498 2.985 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc1C=O ZINC001558723375 1076063205 /nfs/dbraw/zinc/06/32/05/1076063205.db2.gz MYIPOQMGWSDVMD-INIZCTEOSA-N 1 0 359.495 2.968 20 10 FFCDRO CCc1[nH]c(=O)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC001558723537 1076063342 /nfs/dbraw/zinc/06/33/42/1076063342.db2.gz QNDIZUMYGUYKPK-LJQANCHMSA-N 1 0 370.497 2.757 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC12COC2 ZINC001560122988 1076231123 /nfs/dbraw/zinc/23/11/23/1076231123.db2.gz LYPVCFHXQFGPPT-LJQANCHMSA-N 1 0 372.509 2.997 20 10 FFCDRO O=c1ccc(Br)cn1CC[NH2+]Cc1c(O)cccc1Cl ZINC001560488348 1076275855 /nfs/dbraw/zinc/27/58/55/1076275855.db2.gz BGGBUIYMRDLXKV-UHFFFAOYSA-N 1 0 357.635 2.760 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001566008601 1076842875 /nfs/dbraw/zinc/84/28/75/1076842875.db2.gz WFQJYNXMQIAIFE-UHFFFAOYSA-N 1 0 353.466 2.653 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(Br)ccc1O ZINC000373250866 512240408 /nfs/dbraw/zinc/24/04/08/512240408.db2.gz ABEVKSVDPLDJRP-YUTCNCBUSA-N 1 0 355.276 2.669 20 10 FFCDRO Cc1n[nH]cc1C1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000375375507 512291472 /nfs/dbraw/zinc/29/14/72/512291472.db2.gz DNWNYQOORFJUGK-UHFFFAOYSA-N 1 0 369.513 2.622 20 10 FFCDRO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387290 507086070 /nfs/dbraw/zinc/08/60/70/507086070.db2.gz KOXXMZMUEYMLET-INIZCTEOSA-N 1 0 373.522 2.721 20 10 FFCDRO CC[N@H+](C)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000068420329 507224327 /nfs/dbraw/zinc/22/43/27/507224327.db2.gz JLOPHVFDWOSCIK-NRFANRHFSA-N 1 0 367.493 2.832 20 10 FFCDRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000048710881 507553899 /nfs/dbraw/zinc/55/38/99/507553899.db2.gz QQBAJIFYUKUTGR-UHFFFAOYSA-N 1 0 369.465 2.511 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2nccn2C)C1 ZINC000410767142 512363363 /nfs/dbraw/zinc/36/33/63/512363363.db2.gz NKOPRMCSDNCACP-UHFFFAOYSA-N 1 0 365.481 2.804 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)cc1 ZINC000092362121 508064950 /nfs/dbraw/zinc/06/49/50/508064950.db2.gz ODPTWWAUHQURCZ-UHFFFAOYSA-N 1 0 361.530 2.898 20 10 FFCDRO c1nc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cs1 ZINC000093016020 508114574 /nfs/dbraw/zinc/11/45/74/508114574.db2.gz BMYBWBXQLVYNNT-UHFFFAOYSA-N 1 0 372.538 2.688 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1O ZINC000077208612 508287695 /nfs/dbraw/zinc/28/76/95/508287695.db2.gz ZJUVMKROBJSSOD-HNNXBMFYSA-N 1 0 359.426 2.630 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000157070375 508518873 /nfs/dbraw/zinc/51/88/73/508518873.db2.gz BHIHZYPAZLWSAM-HNNXBMFYSA-N 1 0 369.465 2.991 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccccc1O ZINC000157502590 508575766 /nfs/dbraw/zinc/57/57/66/508575766.db2.gz OMTQFPMHWUWWQQ-QGZVFWFLSA-N 1 0 354.516 2.883 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000158062356 508652006 /nfs/dbraw/zinc/65/20/06/508652006.db2.gz YQDYKDGZCKUNCA-CZUORRHYSA-N 1 0 352.862 2.553 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Br)ccc1O ZINC000371466640 512418844 /nfs/dbraw/zinc/41/88/44/512418844.db2.gz QVQDMNDGQWEHPW-VYDXJSESSA-N 1 0 369.303 2.838 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159860182 508901565 /nfs/dbraw/zinc/90/15/65/508901565.db2.gz IYZYEESFFCLGOP-VMPITWQZSA-N 1 0 369.509 2.527 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132187747 509003469 /nfs/dbraw/zinc/00/34/69/509003469.db2.gz PCJGKJYOGDCWTO-VQIMIIECSA-N 1 0 358.457 2.917 20 10 FFCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Br)cc1O ZINC000185450102 509183462 /nfs/dbraw/zinc/18/34/62/509183462.db2.gz IOVRAUMNZUPUGC-LBPRGKRZSA-N 1 0 357.292 2.916 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186030375 509489460 /nfs/dbraw/zinc/48/94/60/509489460.db2.gz YISOODCKGMBPJI-NXEZZACHSA-N 1 0 350.278 2.629 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1[O-] ZINC000186060315 509505313 /nfs/dbraw/zinc/50/53/13/509505313.db2.gz BBSUSBVBNFBVKR-AWEZNQCLSA-N 1 0 359.445 2.674 20 10 FFCDRO O=C(C[C@H]1CCC[NH2+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166294165 509601443 /nfs/dbraw/zinc/60/14/43/509601443.db2.gz OCIBBWFDZWMPBZ-CQSZACIVSA-N 1 0 353.413 2.515 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000179848815 509648271 /nfs/dbraw/zinc/64/82/71/509648271.db2.gz YNDDSXJMXKLKSN-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186377131 509679887 /nfs/dbraw/zinc/67/98/87/509679887.db2.gz QDJHYGHXZPRKAR-CYBMUJFWSA-N 1 0 358.479 2.632 20 10 FFCDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cc3ccc(N)cc3)CC2)C[C@H](C)O1 ZINC000237605993 509688265 /nfs/dbraw/zinc/68/82/65/509688265.db2.gz SURLKKVHFVRXSA-CALCHBBNSA-N 1 0 359.514 2.549 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)OCO2 ZINC000170790684 509778427 /nfs/dbraw/zinc/77/84/27/509778427.db2.gz XXPFIYULOHWJEP-MRXNPFEDSA-N 1 0 355.312 2.661 20 10 FFCDRO COc1cccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+](C)C)c1 ZINC000180605524 510009481 /nfs/dbraw/zinc/00/94/81/510009481.db2.gz ULBUTROBPXAZEQ-VMSUTVGLSA-N 1 0 356.422 2.539 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000193883144 510113279 /nfs/dbraw/zinc/11/32/79/510113279.db2.gz XXPTYFBYUKRVEM-VNQPRFMTSA-N 1 0 350.434 2.655 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(C)c(C)cc1O ZINC000266185943 510452386 /nfs/dbraw/zinc/45/23/86/510452386.db2.gz WZKLDBYGVWPOKK-IBGZPJMESA-N 1 0 351.450 2.937 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)Cc1ccccc1O ZINC000171926976 510456559 /nfs/dbraw/zinc/45/65/59/510456559.db2.gz QQWSPMBUKRREIS-INIZCTEOSA-N 1 0 369.465 2.688 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185279205 510786196 /nfs/dbraw/zinc/78/61/96/510786196.db2.gz LTZXNPOXVUWLDC-ZDUSSCGKSA-N 1 0 361.417 2.622 20 10 FFCDRO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000275644207 510908589 /nfs/dbraw/zinc/90/85/89/510908589.db2.gz TXCVQRLLBJJXIF-INIZCTEOSA-N 1 0 364.449 2.939 20 10 FFCDRO OC[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCOc2ccccc21 ZINC000282471366 510991112 /nfs/dbraw/zinc/99/11/12/510991112.db2.gz URIJHRYVZSVDEF-KRWDZBQOSA-N 1 0 364.239 2.915 20 10 FFCDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000288224720 511068014 /nfs/dbraw/zinc/06/80/14/511068014.db2.gz NTLGCAXGAPZWNP-UHFFFAOYSA-N 1 0 357.410 2.630 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1O ZINC000288453374 511075525 /nfs/dbraw/zinc/07/55/25/511075525.db2.gz NGTXMVXKKRFTQN-OAHLLOKOSA-N 1 0 358.438 2.891 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000289432561 511100944 /nfs/dbraw/zinc/10/09/44/511100944.db2.gz KZSVRKXRZMTDGG-ZDUSSCGKSA-N 1 0 354.406 2.565 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C(F)F)n1 ZINC000291102243 511158814 /nfs/dbraw/zinc/15/88/14/511158814.db2.gz AYITVFJNYLTVSS-UHFFFAOYSA-N 1 0 354.376 2.623 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c(C(F)(F)F)c1 ZINC000279730503 511191849 /nfs/dbraw/zinc/19/18/49/511191849.db2.gz VYNAHTQPHXHQME-UHFFFAOYSA-N 1 0 370.419 2.761 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOCC4(CCOCC4)C3)cc2)CC1 ZINC000294908282 511217517 /nfs/dbraw/zinc/21/75/17/511217517.db2.gz FKPSCCMNCHPQAO-UHFFFAOYSA-N 1 0 374.525 2.931 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000283169449 511263024 /nfs/dbraw/zinc/26/30/24/511263024.db2.gz YVLLAGKQEAPAMO-SJCJKPOMSA-N 1 0 355.862 2.712 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000283169454 511263115 /nfs/dbraw/zinc/26/31/15/511263115.db2.gz YVLLAGKQEAPAMO-SJKOYZFVSA-N 1 0 355.862 2.712 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C)cc1O ZINC000280040430 511313965 /nfs/dbraw/zinc/31/39/65/511313965.db2.gz IUSWDSNPMLZKKE-SFHVURJKSA-N 1 0 363.479 2.708 20 10 FFCDRO COCCC[N@H+](CCOC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295551682 511441918 /nfs/dbraw/zinc/44/19/18/511441918.db2.gz PKGGIQLCVXQCGF-UHFFFAOYSA-N 1 0 350.503 2.787 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(CNC(C)=O)CC3)cc2)CC1 ZINC000295568295 511447348 /nfs/dbraw/zinc/44/73/48/511447348.db2.gz QWIXXTZBFNHLBO-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO [NH3+]CCOc1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000273012503 511515453 /nfs/dbraw/zinc/51/54/53/511515453.db2.gz PAVDPFBHLSVWJJ-XCVCLJGOSA-N 1 0 367.449 2.513 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000273607179 511548817 /nfs/dbraw/zinc/54/88/17/511548817.db2.gz UMZQRQSQZRCLOQ-IAGOWNOFSA-N 1 0 370.497 2.657 20 10 FFCDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3c(F)ccc(O)c3O)cc2)CC1 ZINC000296060010 511607175 /nfs/dbraw/zinc/60/71/75/511607175.db2.gz OYWKBDOVKSVTGL-UHFFFAOYSA-N 1 0 374.412 2.640 20 10 FFCDRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)ccc1O ZINC000280832689 511620800 /nfs/dbraw/zinc/62/08/00/511620800.db2.gz LDPOLFPVHZUICW-JTQLQIEISA-N 1 0 351.191 2.577 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(C)nc(C)n3)CC2)cc1 ZINC000301096086 511688398 /nfs/dbraw/zinc/68/83/98/511688398.db2.gz ZNBPTSWOAWVNQH-UHFFFAOYSA-N 1 0 355.486 2.726 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296325226 511699951 /nfs/dbraw/zinc/69/99/51/511699951.db2.gz FZUBXEZNOPGDBD-FUHWJXTLSA-N 1 0 352.434 2.649 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301725661 511702484 /nfs/dbraw/zinc/70/24/84/511702484.db2.gz UWHIPNWFQXRCMZ-BWVNKGDMSA-N 1 0 359.426 2.702 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296413817 511733730 /nfs/dbraw/zinc/73/37/30/511733730.db2.gz LBIXMOFELRKJOT-IUCAKERBSA-N 1 0 355.287 2.677 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc(C)cc2O)CC1 ZINC000296510648 511774554 /nfs/dbraw/zinc/77/45/54/511774554.db2.gz PMOVRIZMQPSQKF-LFPIHBKWSA-N 1 0 353.484 2.538 20 10 FFCDRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000317817310 511805232 /nfs/dbraw/zinc/80/52/32/511805232.db2.gz NTNLJECAOSVDDR-AWEZNQCLSA-N 1 0 366.259 2.511 20 10 FFCDRO COCCOCCOCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000274384116 511815060 /nfs/dbraw/zinc/81/50/60/511815060.db2.gz JHUNCXTXIPHWCR-UHFFFAOYSA-N 1 0 350.503 2.836 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(O)c1C ZINC000363870466 511818936 /nfs/dbraw/zinc/81/89/36/511818936.db2.gz VOPZGRDGIRUJFR-VQIMIIECSA-N 1 0 350.528 2.868 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000274877165 511973243 /nfs/dbraw/zinc/97/32/43/511973243.db2.gz GXIKPHLMMZFFLM-HOCLYGCPSA-N 1 0 358.276 2.983 20 10 FFCDRO COc1ccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC000369544922 512468344 /nfs/dbraw/zinc/46/83/44/512468344.db2.gz BEPZBJAAZFHDDE-UHFFFAOYSA-N 1 0 370.453 2.512 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000369601226 512506592 /nfs/dbraw/zinc/50/65/92/512506592.db2.gz YQNIAZUGNFGQOM-UZLBHIALSA-N 1 0 356.466 2.780 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000371852685 512603048 /nfs/dbraw/zinc/60/30/48/512603048.db2.gz NALHSRYUTLPHCR-JKSUJKDBSA-N 1 0 365.861 2.876 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000374012756 512620751 /nfs/dbraw/zinc/62/07/51/512620751.db2.gz FZORDWLJABVZGE-QHRIQVFBSA-N 1 0 351.418 2.892 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000374494255 512858768 /nfs/dbraw/zinc/85/87/68/512858768.db2.gz CUCIZEYSCUYKTG-XAUMDUMWSA-N 1 0 364.461 2.651 20 10 FFCDRO O=C(c1cccc(O)c1O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368593576 513016227 /nfs/dbraw/zinc/01/62/27/513016227.db2.gz PCXLFXLPYQDGAV-DLBZAZTESA-N 1 0 352.434 2.692 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@@H+]1CCOC ZINC000472237995 515180516 /nfs/dbraw/zinc/18/05/16/515180516.db2.gz FHWHOWSOKVBOCJ-QGZVFWFLSA-N 1 0 372.513 2.739 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000579838239 518880865 /nfs/dbraw/zinc/88/08/65/518880865.db2.gz NSGAHZOGKZYODJ-KRWDZBQOSA-N 1 0 364.449 2.529 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC3(C[NH+](C)C3)C2)CCCC1 ZINC000614033418 520773071 /nfs/dbraw/zinc/77/30/71/520773071.db2.gz JWMLMRPPPADKBM-UHFFFAOYSA-N 1 0 367.493 2.693 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@@H](C(C)C)C3)ccc21 ZINC000621153422 522663688 /nfs/dbraw/zinc/66/36/88/522663688.db2.gz RUMTZVLXDHHVSR-LJQANCHMSA-N 1 0 357.498 2.975 20 10 FFCDRO COc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000826216065 608519135 /nfs/dbraw/zinc/51/91/35/608519135.db2.gz JARTWZXFIMUGKG-UHFFFAOYSA-N 1 0 351.410 2.746 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1O ZINC000898392044 735354167 /nfs/dbraw/zinc/35/41/67/735354167.db2.gz BQMCYDYBRMXELB-RHSMWYFYSA-N 1 0 364.239 2.911 20 10 FFCDRO COCCc1ncc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898448083 735362140 /nfs/dbraw/zinc/36/21/40/735362140.db2.gz OXYAGCPITSYEJY-SFHVURJKSA-N 1 0 362.543 2.791 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000745812331 735445549 /nfs/dbraw/zinc/44/55/49/735445549.db2.gz SKWUQFBZJYEYIT-INIZCTEOSA-N 1 0 350.482 2.955 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2=CCSC2)[NH+](C)C)cc1 ZINC000899098021 735446999 /nfs/dbraw/zinc/44/69/99/735446999.db2.gz KNMACRXZTQTFFC-GOSISDBHSA-N 1 0 362.543 2.670 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCCSCC2)[NH+](C)C)cc1 ZINC000899103334 735447813 /nfs/dbraw/zinc/44/78/13/735447813.db2.gz ZFFKPAOSKPFVAG-QGZVFWFLSA-N 1 0 350.532 2.504 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000104192784 728501024 /nfs/dbraw/zinc/50/10/24/728501024.db2.gz FQCJIXQJSKIFRP-MRXNPFEDSA-N 1 0 360.527 2.521 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](C)SC)cc2F)CC1 ZINC000119179432 728589421 /nfs/dbraw/zinc/58/94/21/728589421.db2.gz UOGSQEBIJXRNAW-CQSZACIVSA-N 1 0 353.507 2.725 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129887005 728713892 /nfs/dbraw/zinc/71/38/92/728713892.db2.gz FOZHEBNVOADKAT-HNNXBMFYSA-N 1 0 361.511 2.854 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000129946857 728714202 /nfs/dbraw/zinc/71/42/02/728714202.db2.gz VLUWZKARKKRNHC-MRXNPFEDSA-N 1 0 350.482 2.765 20 10 FFCDRO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000134264468 728729317 /nfs/dbraw/zinc/72/93/17/728729317.db2.gz VJMAXXRPONRUFV-HNNXBMFYSA-N 1 0 360.845 2.538 20 10 FFCDRO CC(C)[NH2+]CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166291599 728975921 /nfs/dbraw/zinc/97/59/21/728975921.db2.gz HRCKOMSQJWBPIU-UHFFFAOYSA-N 1 0 355.429 2.761 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000182439829 729278106 /nfs/dbraw/zinc/27/81/06/729278106.db2.gz OSTKMBUXOFHMBP-NEPJUHHUSA-N 1 0 360.376 2.852 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000188807398 729391887 /nfs/dbraw/zinc/39/18/87/729391887.db2.gz MWFBDBWKVQIWCY-LRDDRELGSA-N 1 0 363.376 2.983 20 10 FFCDRO CCS(=O)(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000194357660 729508444 /nfs/dbraw/zinc/50/84/44/729508444.db2.gz LNVMWSYVHPKNOB-UHFFFAOYSA-N 1 0 355.500 2.794 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000858164960 730418371 /nfs/dbraw/zinc/41/83/71/730418371.db2.gz JOHGYSUBRNEZOP-CJNGLKHVSA-N 1 0 350.212 2.739 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@H]1n1cccn1 ZINC000858171120 730418638 /nfs/dbraw/zinc/41/86/38/730418638.db2.gz UPAWGCWLOJMZBR-KBAYOESNSA-N 1 0 350.413 2.736 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434657 730425723 /nfs/dbraw/zinc/42/57/23/730425723.db2.gz MIMXYIRFNQSCJF-OLZOCXBDSA-N 1 0 354.248 2.663 20 10 FFCDRO CON1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000925158074 738484011 /nfs/dbraw/zinc/48/40/11/738484011.db2.gz BIAASEFHNIUKEV-HNNXBMFYSA-N 1 0 355.429 2.872 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c(O)cccc1Br ZINC000862252509 730682302 /nfs/dbraw/zinc/68/23/02/730682302.db2.gz DAQVQXYQHQWNRR-PVUWLOKVSA-N 1 0 369.303 2.838 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC(F)(F)C1 ZINC000862294404 730686286 /nfs/dbraw/zinc/68/62/86/730686286.db2.gz IFKWYCVEQQWHMN-HIFRSBDPSA-N 1 0 351.441 2.912 20 10 FFCDRO Oc1cccc(Br)c1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000862417568 730699791 /nfs/dbraw/zinc/69/97/91/730699791.db2.gz AQICVCJCJRHKMY-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc([C@@H]4CCCO4)s3)cc2)CC1 ZINC000865295420 730936132 /nfs/dbraw/zinc/93/61/32/730936132.db2.gz DYKKHZVELGCDRL-INIZCTEOSA-N 1 0 359.499 2.754 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000866574366 731075771 /nfs/dbraw/zinc/07/57/71/731075771.db2.gz VDRNUUNVIDVPCH-AWEZNQCLSA-N 1 0 371.522 2.781 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2c(I)cnn2C)c(O)c1 ZINC000866631070 731081934 /nfs/dbraw/zinc/08/19/34/731081934.db2.gz DHHSFLDUWATKLX-JTQLQIEISA-N 1 0 371.222 2.890 20 10 FFCDRO Fc1cc(CN[C@@H]2CC[NH2+]C23CCCC3)cc(F)c1N1CCOCC1 ZINC000925697269 738524261 /nfs/dbraw/zinc/52/42/61/738524261.db2.gz WZWZXTYOJYKUFB-QGZVFWFLSA-N 1 0 351.441 2.566 20 10 FFCDRO CN(C)c1ccc(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1F ZINC000870875523 731569114 /nfs/dbraw/zinc/56/91/14/731569114.db2.gz FISVUYWJJGHJPA-UHFFFAOYSA-N 1 0 362.474 2.745 20 10 FFCDRO COc1cccc(O)c1C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000877679614 732412654 /nfs/dbraw/zinc/41/26/54/732412654.db2.gz OXVVYRSCCARTSE-ZIAGYGMSSA-N 1 0 350.459 2.993 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1C(F)(F)F ZINC000877693704 732414964 /nfs/dbraw/zinc/41/49/64/732414964.db2.gz OGMZUWMAWHWGFF-WCBMZHEXSA-N 1 0 354.166 2.757 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000927130767 738694726 /nfs/dbraw/zinc/69/47/26/738694726.db2.gz OKOGVAMUXZOVJW-IINYFYTJSA-N 1 0 354.248 2.581 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000883297800 733362819 /nfs/dbraw/zinc/36/28/19/733362819.db2.gz ZJVKAEOWHXFZQO-AWEZNQCLSA-N 1 0 364.433 2.828 20 10 FFCDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1O ZINC000883308456 733366378 /nfs/dbraw/zinc/36/63/78/733366378.db2.gz POWSSCQMQJNBTI-PWSUYJOCSA-N 1 0 362.289 2.773 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c1O ZINC000725841684 734395823 /nfs/dbraw/zinc/39/58/23/734395823.db2.gz URPWKIPSVXHIPR-INIZCTEOSA-N 1 0 361.511 2.541 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(O)c1OC ZINC000891920912 734495238 /nfs/dbraw/zinc/49/52/38/734495238.db2.gz LABLQFLPCIJOGN-UHFFFAOYSA-N 1 0 363.483 2.574 20 10 FFCDRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892621203 734581626 /nfs/dbraw/zinc/58/16/26/734581626.db2.gz HUQAISZHNFLLFI-XJKSGUPXSA-N 1 0 357.267 2.925 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892882380 734617905 /nfs/dbraw/zinc/61/79/05/734617905.db2.gz KFUZULCPALTPFD-UHFFFAOYSA-N 1 0 360.483 2.698 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)c1OC ZINC000893626884 734728599 /nfs/dbraw/zinc/72/85/99/734728599.db2.gz LQCPXCWOGHRAHY-AWEZNQCLSA-N 1 0 351.443 2.963 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000733329527 734809421 /nfs/dbraw/zinc/80/94/21/734809421.db2.gz UVENNSIZDARGHM-MRXNPFEDSA-N 1 0 369.303 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NOCCC(F)(F)F)[NH+](C)C)cc1 ZINC000894313452 734835347 /nfs/dbraw/zinc/83/53/47/734835347.db2.gz FGRDNSSUATUHSY-AWEZNQCLSA-N 1 0 362.396 2.539 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894811845 734920990 /nfs/dbraw/zinc/92/09/90/734920990.db2.gz SXYRDKNVCUGXME-IBGZPJMESA-N 1 0 351.443 2.963 20 10 FFCDRO Cc1nnc([C@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)[nH]1 ZINC000895008329 734951365 /nfs/dbraw/zinc/95/13/65/734951365.db2.gz WBUFKNBWTUJDII-NSHDSACASA-N 1 0 351.248 2.879 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896568466 735175156 /nfs/dbraw/zinc/17/51/56/735175156.db2.gz NFWWOTCEILSYGP-NVXWUHKLSA-N 1 0 360.527 2.520 20 10 FFCDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(C)cc(OC)c3O)C2)s1 ZINC000896971169 735190081 /nfs/dbraw/zinc/19/00/81/735190081.db2.gz OIFOPJCAAUMPGS-GFCCVEGCSA-N 1 0 362.451 2.942 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897257897 735211712 /nfs/dbraw/zinc/21/17/12/735211712.db2.gz CTDQMQUCEFDABG-CQSZACIVSA-N 1 0 356.260 2.661 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000748958664 735684896 /nfs/dbraw/zinc/68/48/96/735684896.db2.gz DNSNLJQUABBAPN-ZBFHGGJFSA-N 1 0 350.482 2.906 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825395 735996372 /nfs/dbraw/zinc/99/63/72/735996372.db2.gz MQMDEJIGVQMAGC-STQMWFEESA-N 1 0 351.401 2.736 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1O ZINC000903188231 736051553 /nfs/dbraw/zinc/05/15/53/736051553.db2.gz BQDBGSYDQFAZHR-ZDUSSCGKSA-N 1 0 370.515 2.692 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC(F)(F)F)ccc1N1CCCCC1 ZINC000756994440 736382085 /nfs/dbraw/zinc/38/20/85/736382085.db2.gz RDXQKNRFJKMSHM-ZDUSSCGKSA-N 1 0 361.364 2.988 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Br)cc1O ZINC000757654710 736416503 /nfs/dbraw/zinc/41/65/03/736416503.db2.gz NHSQYGJYVOQPGM-ZYHUDNBSSA-N 1 0 362.289 2.773 20 10 FFCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(C(F)(F)F)cc1 ZINC000758633301 736508175 /nfs/dbraw/zinc/50/81/75/736508175.db2.gz UFOSQTZBUWMQJI-CYBMUJFWSA-N 1 0 355.312 2.963 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000767712818 737358793 /nfs/dbraw/zinc/35/87/93/737358793.db2.gz QMBCAGVVMXYJMG-LBPRGKRZSA-N 1 0 355.356 2.759 20 10 FFCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769511825 737537666 /nfs/dbraw/zinc/53/76/66/737537666.db2.gz WOLQPKJHWPJTQW-UHFFFAOYSA-N 1 0 353.457 2.685 20 10 FFCDRO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054983 737690010 /nfs/dbraw/zinc/69/00/10/737690010.db2.gz ASGXYEDUFBCOGD-YQQAZPJKSA-N 1 0 352.862 2.551 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3Nc4cc(Cl)ccc4C(=O)N3)cc2)CC1 ZINC000771520610 737732069 /nfs/dbraw/zinc/73/20/69/737732069.db2.gz LIXHSAXWDGWDNY-GOSISDBHSA-N 1 0 356.857 2.946 20 10 FFCDRO CO[C@@H](C)c1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000771842690 737760867 /nfs/dbraw/zinc/76/08/67/737760867.db2.gz KHZMIODHAKTTLP-HNNXBMFYSA-N 1 0 360.527 2.892 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc1 ZINC000773049222 737865833 /nfs/dbraw/zinc/86/58/33/737865833.db2.gz BFACPHQLCWFOMK-YOEHRIQHSA-N 1 0 353.532 2.935 20 10 FFCDRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921799672 738046471 /nfs/dbraw/zinc/04/64/71/738046471.db2.gz IHDGXBKKLMGDCR-CRAIPNDOSA-N 1 0 366.527 2.550 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000775369917 738087679 /nfs/dbraw/zinc/08/76/79/738087679.db2.gz IYGBZWGSHPPHLQ-ZDUSSCGKSA-N 1 0 365.451 2.534 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1O ZINC000775493406 738096843 /nfs/dbraw/zinc/09/68/43/738096843.db2.gz ZSUBPGYRVLNVQA-HNNXBMFYSA-N 1 0 360.907 2.900 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cc(Br)ccc1O ZINC000775503134 738097915 /nfs/dbraw/zinc/09/79/15/738097915.db2.gz BYSHFGOWZBXBBK-UKRRQHHQSA-N 1 0 357.292 2.916 20 10 FFCDRO CCOc1cccc(C[NH2+]CCc2ccccc2S(=O)(=O)CC)c1O ZINC000922688987 738186004 /nfs/dbraw/zinc/18/60/04/738186004.db2.gz MLVLFLCCIIOOJY-UHFFFAOYSA-N 1 0 363.479 2.917 20 10 FFCDRO CS(=O)(=O)CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796285408 740125574 /nfs/dbraw/zinc/12/55/74/740125574.db2.gz RJZRCHRNTNHKGA-UHFFFAOYSA-N 1 0 358.507 2.774 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000796482152 740146925 /nfs/dbraw/zinc/14/69/25/740146925.db2.gz JWYGDWGYOFBWCW-HKUYNNGSSA-N 1 0 367.559 2.730 20 10 FFCDRO CCOCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000799697359 740442009 /nfs/dbraw/zinc/44/20/09/740442009.db2.gz DJDUOWCRWSTHOR-MRXNPFEDSA-N 1 0 366.889 2.943 20 10 FFCDRO C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)C[NH+]1CCCC1 ZINC000805180062 740947923 /nfs/dbraw/zinc/94/79/23/740947923.db2.gz BGTKMGJKIFVKNZ-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO Cn1cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(C(F)F)n1 ZINC000812219846 741597502 /nfs/dbraw/zinc/59/75/02/741597502.db2.gz QQZYDMMSLZBXJO-XFFZJAGNSA-N 1 0 372.466 2.653 20 10 FFCDRO CO[C@](C)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000812535858 741630613 /nfs/dbraw/zinc/63/06/13/741630613.db2.gz ISIDRFKJTPSUAA-APWZRJJASA-N 1 0 366.889 2.941 20 10 FFCDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CC[NH+](C)CC1 ZINC000815575830 741946225 /nfs/dbraw/zinc/94/62/25/741946225.db2.gz BKPPSIZYEYNUQT-KBPBESRZSA-N 1 0 359.436 2.945 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816667774 742052155 /nfs/dbraw/zinc/05/21/55/742052155.db2.gz WGPFCZRQKRUFOD-IRXDYDNUSA-N 1 0 370.287 2.873 20 10 FFCDRO C[NH+](C)C1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000817177651 742102147 /nfs/dbraw/zinc/10/21/47/742102147.db2.gz IACDCHNHVASZCX-UHFFFAOYSA-N 1 0 370.291 2.827 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(C)nc3C(F)F)C2)cc1 ZINC000818221901 742251435 /nfs/dbraw/zinc/25/14/35/742251435.db2.gz OXHNBCSMPBAUJR-ZDUSSCGKSA-N 1 0 350.413 2.982 20 10 FFCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Br)cc1O ZINC000818350131 742266139 /nfs/dbraw/zinc/26/61/39/742266139.db2.gz KBBIABSUYCLWNH-JTQLQIEISA-N 1 0 350.278 2.630 20 10 FFCDRO COC(=O)CC1CC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000818331395 742263892 /nfs/dbraw/zinc/26/38/92/742263892.db2.gz HAEFQGTYQUDRRN-PWZRNIHTSA-N 1 0 366.889 2.941 20 10 FFCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000818349845 742266167 /nfs/dbraw/zinc/26/61/67/742266167.db2.gz IFUYTBIHPVNZBL-JTQLQIEISA-N 1 0 350.278 2.630 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000819241438 742359503 /nfs/dbraw/zinc/35/95/03/742359503.db2.gz CILVUGDPDHUJAZ-YOEHRIQHSA-N 1 0 351.491 2.631 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733017 743137441 /nfs/dbraw/zinc/13/74/41/743137441.db2.gz FKXQJKDHBBEDDC-UHFFFAOYSA-N 1 0 350.415 2.608 20 10 FFCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2C1)C(F)(F)F ZINC000824827301 743156527 /nfs/dbraw/zinc/15/65/27/743156527.db2.gz BJPGLAWDBMIVFO-QWRGUYRKSA-N 1 0 362.779 2.888 20 10 FFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000824855862 743165069 /nfs/dbraw/zinc/16/50/69/743165069.db2.gz QXQFEEQXIQFLEX-JKSUJKDBSA-N 1 0 370.287 2.907 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000825119854 743212614 /nfs/dbraw/zinc/21/26/14/743212614.db2.gz GIFRFUMIQWDWOF-UHFFFAOYSA-N 1 0 368.886 2.894 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1Cl ZINC000825417889 743267802 /nfs/dbraw/zinc/26/78/02/743267802.db2.gz RONMUONXIIWIHE-UHFFFAOYSA-N 1 0 374.934 2.894 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)NCc1ccco1 ZINC000825425760 743268561 /nfs/dbraw/zinc/26/85/61/743268561.db2.gz JLSPCDBNGJKEOW-JTQLQIEISA-N 1 0 353.216 2.542 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1O ZINC000827151917 743520316 /nfs/dbraw/zinc/52/03/16/743520316.db2.gz NENVNFGFTMDDOO-INIZCTEOSA-N 1 0 356.260 2.900 20 10 FFCDRO CC(C)[NH2+]CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663540 745400174 /nfs/dbraw/zinc/40/01/74/745400174.db2.gz AFUUUEZFHHSXBW-CQSZACIVSA-N 1 0 355.429 2.761 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000834851465 745914528 /nfs/dbraw/zinc/91/45/28/745914528.db2.gz XSUFEDRYDFGTGM-HIFRSBDPSA-N 1 0 371.319 2.961 20 10 FFCDRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)ccc1O ZINC000834894089 745920970 /nfs/dbraw/zinc/92/09/70/745920970.db2.gz YZJLHRVKIPCEHW-BNOWGMLFSA-N 1 0 355.276 2.669 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000835035879 745935614 /nfs/dbraw/zinc/93/56/14/745935614.db2.gz LBSDNGOJEBWVNK-FNORWQNLSA-N 1 0 359.495 2.927 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000835053979 745940348 /nfs/dbraw/zinc/94/03/48/745940348.db2.gz GGSKMRDXAFGUJV-KEGWNNHHSA-N 1 0 356.491 2.927 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000835081254 745946853 /nfs/dbraw/zinc/94/68/53/745946853.db2.gz DZSCFWRMKZAVQB-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000837485921 746457924 /nfs/dbraw/zinc/45/79/24/746457924.db2.gz RTNVRNQEJGXIPW-KONPQCLYSA-N 1 0 364.873 2.694 20 10 FFCDRO Brc1cc(C[NH2+]C[C@H]2COCCO2)ccc1N1CCCCC1 ZINC000838906502 746734071 /nfs/dbraw/zinc/73/40/71/746734071.db2.gz IZPLDZPGYYSBFQ-HNNXBMFYSA-N 1 0 369.303 2.944 20 10 FFCDRO CCCn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000839146247 746788122 /nfs/dbraw/zinc/78/81/22/746788122.db2.gz AJKCLZLGVMMATG-UHFFFAOYSA-N 1 0 350.413 2.698 20 10 FFCDRO CC(C)n1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000839146369 746788357 /nfs/dbraw/zinc/78/83/57/746788357.db2.gz FODDAZPDOIQFKZ-UHFFFAOYSA-N 1 0 350.413 2.869 20 10 FFCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000839843189 746939121 /nfs/dbraw/zinc/93/91/21/746939121.db2.gz GQNCFSAJLMBTEL-NVXWUHKLSA-N 1 0 360.479 2.721 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1C(C)C ZINC000840170926 747026168 /nfs/dbraw/zinc/02/61/68/747026168.db2.gz WTGYFYAZWKYTKC-UHFFFAOYSA-N 1 0 366.527 2.824 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC1(C)C ZINC000840724415 747167257 /nfs/dbraw/zinc/16/72/57/747167257.db2.gz VUFKHTJDWQFRIS-MSOLQXFVSA-N 1 0 350.528 2.836 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000840883995 747211691 /nfs/dbraw/zinc/21/16/91/747211691.db2.gz NYSIAUVNKOOHQQ-SNVBAGLBSA-N 1 0 362.289 2.691 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c(Cl)c1 ZINC000840908351 747221805 /nfs/dbraw/zinc/22/18/05/747221805.db2.gz VUJQAHNYMBKVBM-CYBMUJFWSA-N 1 0 350.821 2.927 20 10 FFCDRO C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841051921 747261365 /nfs/dbraw/zinc/26/13/65/747261365.db2.gz RVKICHHPPYIEMD-SSDOTTSWSA-N 1 0 352.070 2.744 20 10 FFCDRO [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000841100096 747268785 /nfs/dbraw/zinc/26/87/85/747268785.db2.gz ULJXAHFDBCNTFM-ZDUSSCGKSA-N 1 0 356.257 2.586 20 10 FFCDRO CCCN(C(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000841796932 747462427 /nfs/dbraw/zinc/46/24/27/747462427.db2.gz WEWRXVFVDZLBRH-INIZCTEOSA-N 1 0 350.482 2.955 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H](C[NH3+])C3CCCCC3)cs2)cc1 ZINC000841848967 747475714 /nfs/dbraw/zinc/47/57/14/747475714.db2.gz YHSKHKIXTDHVER-MRXNPFEDSA-N 1 0 358.511 2.954 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841982395 747496109 /nfs/dbraw/zinc/49/61/09/747496109.db2.gz BFYSVQFYJGGUAL-UONOGXRCSA-N 1 0 370.291 2.956 20 10 FFCDRO CC[NH2+][C@H](C)CNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000841984228 747496695 /nfs/dbraw/zinc/49/66/95/747496695.db2.gz JQTDUWVBKGPSQQ-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1 ZINC000842882678 747713059 /nfs/dbraw/zinc/71/30/59/747713059.db2.gz CQXKWZJMIQJWOL-CABCVRRESA-N 1 0 361.463 2.895 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CC[NH3+])C(F)F)c2C)cc1 ZINC000843483640 747843682 /nfs/dbraw/zinc/84/36/82/747843682.db2.gz ISRGYJAEJBRVAA-INIZCTEOSA-N 1 0 351.397 2.815 20 10 FFCDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cc(Cl)ccc1O ZINC000844877481 748123218 /nfs/dbraw/zinc/12/32/18/748123218.db2.gz JRJAUVFZYRPBAA-UHFFFAOYSA-N 1 0 359.857 2.903 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000844903231 748133151 /nfs/dbraw/zinc/13/31/51/748133151.db2.gz VPCOCIKRHYVGAR-XFJVYGCCSA-N 1 0 369.849 2.672 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1O ZINC000846143568 748414710 /nfs/dbraw/zinc/41/47/10/748414710.db2.gz GRSSQZFAESWBAQ-JTQLQIEISA-N 1 0 356.348 2.972 20 10 FFCDRO CC[C@](C)(CO)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590961 748736601 /nfs/dbraw/zinc/73/66/01/748736601.db2.gz LPUVTDRMGQBUPZ-MAUKXSAKSA-N 1 0 354.878 2.535 20 10 FFCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848521338 748948603 /nfs/dbraw/zinc/94/86/03/748948603.db2.gz MSPDXDPZGJWAEF-HXUWFJFHSA-N 1 0 361.555 2.583 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000848517921 748948620 /nfs/dbraw/zinc/94/86/20/748948620.db2.gz HOMMGHLTNNJMES-NWDGAFQWSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000848532838 748952009 /nfs/dbraw/zinc/95/20/09/748952009.db2.gz FMGCQDLXPWJQMQ-PWSUYJOCSA-N 1 0 371.275 2.823 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cn(C)cn2)c1O ZINC000848553514 748958757 /nfs/dbraw/zinc/95/87/57/748958757.db2.gz UMCKWVDSEDIGMN-SNVBAGLBSA-N 1 0 354.248 2.790 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)ccc1OC ZINC000850353520 749350462 /nfs/dbraw/zinc/35/04/62/749350462.db2.gz FKHVRQBWZPISKS-NZSAHSFTSA-N 1 0 351.487 2.887 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000850554953 749386970 /nfs/dbraw/zinc/38/69/70/749386970.db2.gz FSRFONCZWOVSBM-SNVBAGLBSA-N 1 0 362.289 2.773 20 10 FFCDRO Cc1ccc(CN(C[C@H]2C[NH2+]CCO2)c2ccc3c(c2)OCCO3)s1 ZINC000852744884 749942619 /nfs/dbraw/zinc/94/26/19/749942619.db2.gz KJAXKMFJIWTVKH-MRXNPFEDSA-N 1 0 360.479 2.823 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1F ZINC000057647012 845374997 /nfs/dbraw/zinc/37/49/97/845374997.db2.gz SKWMFEJQJVSQBA-UHFFFAOYSA-N 1 0 350.482 2.765 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1O ZINC000895680407 970847017 /nfs/dbraw/zinc/84/70/17/970847017.db2.gz LYJSWQGOJHSHRI-QFIPXVFZSA-N 1 0 366.461 2.704 20 10 FFCDRO CN1CCC[C@@H]1c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000895710238 970872357 /nfs/dbraw/zinc/87/23/57/970872357.db2.gz IPANTIXSISKOLC-LJQANCHMSA-N 1 0 353.470 2.707 20 10 FFCDRO COc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(O)c1OC ZINC000895825677 970987154 /nfs/dbraw/zinc/98/71/54/970987154.db2.gz JVMTWKUAHBMJFG-MRXNPFEDSA-N 1 0 355.438 2.789 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837078 1013058004 /nfs/dbraw/zinc/05/80/04/1013058004.db2.gz BGCMGYFDMSIYTI-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826511323 948433321 /nfs/dbraw/zinc/43/33/21/948433321.db2.gz LDQSHKSJVZRROA-UHFFFAOYSA-N 1 0 369.400 2.755 20 10 FFCDRO C[C@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(I)cc1O ZINC001205916604 1032066107 /nfs/dbraw/zinc/06/61/07/1032066107.db2.gz UTPAISWCRDSKON-WDEREUQCSA-N 1 0 360.239 2.556 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F ZINC000123968644 1013162590 /nfs/dbraw/zinc/16/25/90/1013162590.db2.gz VPALFPURDXGVNY-GOSISDBHSA-N 1 0 366.383 2.764 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](O)C2)C1 ZINC000683501865 960794119 /nfs/dbraw/zinc/79/41/19/960794119.db2.gz ZVUUZNHDGXQEHJ-IRXDYDNUSA-N 1 0 369.509 2.685 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCCC1 ZINC000653134178 962138433 /nfs/dbraw/zinc/13/84/33/962138433.db2.gz QBEPMDODSHIIGS-DNVCBOLYSA-N 1 0 367.493 2.739 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000773407636 1013318098 /nfs/dbraw/zinc/31/80/98/1013318098.db2.gz ABANUCNPJJXKLC-MRXNPFEDSA-N 1 0 359.474 2.831 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]cnc3c2F)[NH+](C)C)cc1 ZINC000891245573 962559035 /nfs/dbraw/zinc/55/90/35/962559035.db2.gz GTIMJQYJUJNWLR-KRWDZBQOSA-N 1 0 369.444 2.801 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c[nH]nc3c2)[NH+](C)C)cc1 ZINC000891249679 962585461 /nfs/dbraw/zinc/58/54/61/962585461.db2.gz VPLMLUIHTSAJLH-HXUWFJFHSA-N 1 0 365.481 2.591 20 10 FFCDRO Cc1cncc(/C=C\C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891252830 962606564 /nfs/dbraw/zinc/60/65/64/962606564.db2.gz OBAHBWOTRXVLDW-HUQFFUELSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2noc3ccccc23)[NH+](C)C)cc1 ZINC000891255255 962619252 /nfs/dbraw/zinc/61/92/52/962619252.db2.gz OAWIGTKKBPPNRY-LJQANCHMSA-N 1 0 366.465 2.855 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CSCc2ccncc2)[NH+](C)C)cc1 ZINC000891255429 962622289 /nfs/dbraw/zinc/62/22/89/962622289.db2.gz PBGZSWLABDWTPI-LJQANCHMSA-N 1 0 372.538 2.800 20 10 FFCDRO COCCC[NH+]1CCC(NCc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873036979 1013358807 /nfs/dbraw/zinc/35/88/07/1013358807.db2.gz IHGYRLYUULKVPX-UHFFFAOYSA-N 1 0 372.513 2.531 20 10 FFCDRO COc1ccc(C[NH2+]CCc2ccc(CO)cc2)cc1Cn1cccn1 ZINC000873100954 1013386252 /nfs/dbraw/zinc/38/62/52/1013386252.db2.gz JRKIINXPPUVBBQ-UHFFFAOYSA-N 1 0 351.450 2.765 20 10 FFCDRO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276063970 1013387814 /nfs/dbraw/zinc/38/78/14/1013387814.db2.gz NUBQVUMKSFHHPM-MRXNPFEDSA-N 1 0 364.461 2.675 20 10 FFCDRO Cc1[nH]c2c(ncnc2NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001167426983 963028871 /nfs/dbraw/zinc/02/88/71/963028871.db2.gz RYXWJMSAVSDVQS-UHFFFAOYSA-N 1 0 350.470 2.939 20 10 FFCDRO COC(C)(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001276064957 1013393618 /nfs/dbraw/zinc/39/36/18/1013393618.db2.gz YGYQFBHNCFTHGG-HXUWFJFHSA-N 1 0 364.461 2.913 20 10 FFCDRO COC(=O)c1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001167434691 963185012 /nfs/dbraw/zinc/18/50/12/963185012.db2.gz SDHRGHDLJNJBDW-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C4(C)OCCO4)nc3)cc2)CC1 ZINC001167436843 963263631 /nfs/dbraw/zinc/26/36/31/963263631.db2.gz BXQPBXWILQWVPI-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4ncc([N+](=O)[O-])n43)cc2)CC1 ZINC001167437184 963270511 /nfs/dbraw/zinc/27/05/11/963270511.db2.gz OGHNZCNVXYTICD-UHFFFAOYSA-N 1 0 366.425 2.606 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[NH2+]CCC12CCC2 ZINC000891368934 963624079 /nfs/dbraw/zinc/62/40/79/963624079.db2.gz JFOHLDLRILNMRL-UHFFFAOYSA-N 1 0 374.554 2.667 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncnc2)cc1C ZINC001087154305 963869073 /nfs/dbraw/zinc/86/90/73/963869073.db2.gz MRISKHWRRHJLGO-BEFAXECRSA-N 1 0 368.481 2.824 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cccc3c2OCCO3)ccc1N1CCOCC1 ZINC000054175923 967439455 /nfs/dbraw/zinc/43/94/55/967439455.db2.gz BWQGRZBKFVOWSE-UHFFFAOYSA-N 1 0 358.413 2.723 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(O)c1OC ZINC000895113811 967657948 /nfs/dbraw/zinc/65/79/48/967657948.db2.gz HURQMWJODHRSEB-KRWDZBQOSA-N 1 0 370.449 2.548 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(c4cccnn4)CC3)CC2)cc1 ZINC000760048124 967660778 /nfs/dbraw/zinc/66/07/78/967660778.db2.gz PYZKCCJBQOMAFO-UHFFFAOYSA-N 1 0 367.497 2.713 20 10 FFCDRO O=C(c1cc2cc(O)c(O)cc2[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001270953226 967872517 /nfs/dbraw/zinc/87/25/17/967872517.db2.gz NSGBIDBRFYTGQW-GASCZTMLSA-N 1 0 355.438 2.811 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177157348 969080420 /nfs/dbraw/zinc/08/04/20/969080420.db2.gz UEUHISIRWXMJPO-UHFFFAOYSA-N 1 0 374.554 2.911 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)c(O)c1OC ZINC000892633544 969660928 /nfs/dbraw/zinc/66/09/28/969660928.db2.gz FXMRCRWBWLDCKS-UHFFFAOYSA-N 1 0 354.410 2.588 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[N@H+](C)CC2)CCCC1 ZINC000650993838 970209593 /nfs/dbraw/zinc/20/95/93/970209593.db2.gz WZFQWHHRGHZWLG-UHFFFAOYSA-N 1 0 355.482 2.693 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1OC ZINC000892870715 970344004 /nfs/dbraw/zinc/34/40/04/970344004.db2.gz IGXCVVXAOCBJHT-GFCCVEGCSA-N 1 0 356.422 2.779 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893134635 970657354 /nfs/dbraw/zinc/65/73/54/970657354.db2.gz ISEHLZFOTUNBSU-UHFFFAOYSA-N 1 0 354.498 2.879 20 10 FFCDRO C[NH2+][C@H]1CCCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000653047774 1014215481 /nfs/dbraw/zinc/21/54/81/1014215481.db2.gz SLSUTDTXDZTMKT-HNNXBMFYSA-N 1 0 355.482 2.739 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCCC1 ZINC000655519380 974984792 /nfs/dbraw/zinc/98/47/92/974984792.db2.gz RYTYAIVAPRZFOW-INIZCTEOSA-N 1 0 369.387 2.535 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3=CCCCC3)CC2)cc1 ZINC000125901480 1014242856 /nfs/dbraw/zinc/24/28/56/1014242856.db2.gz PCPWZWSLYFOQON-UHFFFAOYSA-N 1 0 357.498 2.824 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC000644823203 975222869 /nfs/dbraw/zinc/22/28/69/975222869.db2.gz ZJEURUJATNHRDS-YLJYHZDGSA-N 1 0 355.482 2.681 20 10 FFCDRO Cc1ccccc1CO[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506082 1014288123 /nfs/dbraw/zinc/28/81/23/1014288123.db2.gz DSQKXLHYIMIHGO-JXFKEZNVSA-N 1 0 355.482 2.782 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)N(C)C)cc1 ZINC000898448268 976459662 /nfs/dbraw/zinc/45/96/62/976459662.db2.gz RGQUVOINKQJNPR-QYZOEREBSA-N 1 0 365.493 2.579 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c(O)c1OC ZINC000898448416 976460127 /nfs/dbraw/zinc/46/01/27/976460127.db2.gz RTZDMMCNSQPARZ-SFHVURJKSA-N 1 0 373.497 2.868 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4oc(=O)n(C)c4c3)CC2)cc1 ZINC000876631071 1014332099 /nfs/dbraw/zinc/33/20/99/1014332099.db2.gz CEFDFVDTHVLCOR-UHFFFAOYSA-N 1 0 367.449 2.852 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C(C)(C)C)C1)cc2=O ZINC000796575821 1014375114 /nfs/dbraw/zinc/37/51/14/1014375114.db2.gz QGSORXAIPLBTAO-CYBMUJFWSA-N 1 0 360.458 2.870 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1NC(=N)SCC[NH3+])N=[N+]=[N-] ZINC001167908830 977608739 /nfs/dbraw/zinc/60/87/39/977608739.db2.gz BEVGJYLFIGGMNZ-WQLSENKSSA-N 1 0 363.447 2.951 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1O ZINC000894034059 977641439 /nfs/dbraw/zinc/64/14/39/977641439.db2.gz PWNQCFITDTVWHE-UHFFFAOYSA-N 1 0 354.450 2.728 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)CC2)cc1 ZINC000876998597 1014445045 /nfs/dbraw/zinc/44/50/45/1014445045.db2.gz KAIMWKSFALWUDW-UHFFFAOYSA-N 1 0 371.441 2.762 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1O ZINC000894155435 978002851 /nfs/dbraw/zinc/00/28/51/978002851.db2.gz DRVLUXGCROICHF-KRWDZBQOSA-N 1 0 360.454 2.774 20 10 FFCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877019491 1014450524 /nfs/dbraw/zinc/45/05/24/1014450524.db2.gz NFEAOIYPPUDUNA-UHFFFAOYSA-N 1 0 355.438 2.888 20 10 FFCDRO Cn1cc(C(=O)N2CC3(CCC3)c3ccccc32)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333324927 978156355 /nfs/dbraw/zinc/15/63/55/978156355.db2.gz VCAPGKXHXLPERJ-OAHLLOKOSA-N 1 0 350.466 2.969 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCc2ccccc21 ZINC000877116986 1014478399 /nfs/dbraw/zinc/47/83/99/1014478399.db2.gz FLWORUUIBWAOEA-JOCHJYFZSA-N 1 0 352.478 2.571 20 10 FFCDRO CCCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000825952541 1014543634 /nfs/dbraw/zinc/54/36/34/1014543634.db2.gz BVJFEZAUJIETMJ-XLIONFOSSA-N 1 0 374.529 2.710 20 10 FFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000877578623 1014632528 /nfs/dbraw/zinc/63/25/28/1014632528.db2.gz GFHFJWDZNXRXPY-OAQYLSRUSA-N 1 0 368.521 2.958 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]c1C ZINC000877597959 1014639834 /nfs/dbraw/zinc/63/98/34/1014639834.db2.gz DJHFNDBFGBOCKP-HNNXBMFYSA-N 1 0 357.454 2.734 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@]1(O)CCc2ccccc21 ZINC000877604582 1014641838 /nfs/dbraw/zinc/64/18/38/1014641838.db2.gz ODCIMUALACTTLF-QHCPKHFHSA-N 1 0 366.505 2.914 20 10 FFCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000877611782 1014645642 /nfs/dbraw/zinc/64/56/42/1014645642.db2.gz ZTUQSKHSHHQGNS-BTYIYWSLSA-N 1 0 358.457 2.999 20 10 FFCDRO COC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000905786964 980519819 /nfs/dbraw/zinc/51/98/19/980519819.db2.gz AYJHLZAXAFETBD-FQEVSTJZSA-N 1 0 371.456 2.581 20 10 FFCDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000906661135 981123733 /nfs/dbraw/zinc/12/37/33/981123733.db2.gz OWCCUSXSFTTWNN-CQSZACIVSA-N 1 0 368.481 2.762 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCCO1 ZINC000907191875 981212299 /nfs/dbraw/zinc/21/22/99/981212299.db2.gz CRGHXTDKCNZDKA-LAUBAEHRSA-N 1 0 371.525 2.650 20 10 FFCDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877757405 1014714780 /nfs/dbraw/zinc/71/47/80/1014714780.db2.gz YBVQLEWFFXNRCK-GJZGRUSLSA-N 1 0 362.470 2.623 20 10 FFCDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccc(OC)cc2O)cc1 ZINC000897630509 982444606 /nfs/dbraw/zinc/44/46/06/982444606.db2.gz ATNKHLLHRXHWEJ-IBGZPJMESA-N 1 0 358.438 2.765 20 10 FFCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CCO2 ZINC000897974913 982561140 /nfs/dbraw/zinc/56/11/40/982561140.db2.gz SVTLXSFIBNZTHO-RTWAWAEBSA-N 1 0 360.498 2.813 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(C)cc(OC)c3O)CC2)n1 ZINC000164530804 984376582 /nfs/dbraw/zinc/37/65/82/984376582.db2.gz YETMLMILFOYBPZ-UHFFFAOYSA-N 1 0 372.469 2.610 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000996695171 984516022 /nfs/dbraw/zinc/51/60/22/984516022.db2.gz DUYHOEGXAVWOES-XLIONFOSSA-N 1 0 360.498 2.899 20 10 FFCDRO CCCN(CC[NH+]1CCCCC1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796461070 1015042361 /nfs/dbraw/zinc/04/23/61/1015042361.db2.gz IBMKJAHOTOLMGL-UHFFFAOYSA-N 1 0 374.573 2.909 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000764576665 984576112 /nfs/dbraw/zinc/57/61/12/984576112.db2.gz SSHYZVVOWHQNMA-KRWDZBQOSA-N 1 0 363.502 2.815 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCc4c3cnn4CCO)CC2)cc1 ZINC000765294998 985021427 /nfs/dbraw/zinc/02/14/27/985021427.db2.gz BZANAPAWGAVWKF-HXUWFJFHSA-N 1 0 370.497 2.520 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765382143 985054303 /nfs/dbraw/zinc/05/43/03/985054303.db2.gz PQUXYXFXFZQNLS-INIZCTEOSA-N 1 0 371.456 2.629 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccnc3C)cc2F)CC1 ZINC000170992306 985194637 /nfs/dbraw/zinc/19/46/37/985194637.db2.gz YZZDRGXOIYBIMI-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO O=C(c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1)N1CCOCC1 ZINC000921593331 985410309 /nfs/dbraw/zinc/41/03/09/985410309.db2.gz QBVSZQKJLQGCIE-UHFFFAOYSA-N 1 0 366.461 2.774 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000311310327 986407880 /nfs/dbraw/zinc/40/78/80/986407880.db2.gz UBLPWAWVGJRLRP-UONOGXRCSA-N 1 0 366.458 2.687 20 10 FFCDRO COc1cccc([C@H](CNC(=O)NCc2c(O)cccc2F)[NH+](C)C)c1 ZINC000913890088 986999157 /nfs/dbraw/zinc/99/91/57/986999157.db2.gz MKGYXBGTQLROOF-KRWDZBQOSA-N 1 0 361.417 2.642 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCCN1Cc1ccccn1 ZINC000921991368 987465693 /nfs/dbraw/zinc/46/56/93/987465693.db2.gz QVFXXZZTYWACCI-IBGZPJMESA-N 1 0 351.450 2.687 20 10 FFCDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000153062525 987614095 /nfs/dbraw/zinc/61/40/95/987614095.db2.gz XSLKRXQHYKDMKA-UHFFFAOYSA-N 1 0 361.530 2.896 20 10 FFCDRO CC[N@H+](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000153096868 987632467 /nfs/dbraw/zinc/63/24/67/987632467.db2.gz JZEIWSACIYCDMR-CQSZACIVSA-N 1 0 367.440 2.857 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000765978785 988206052 /nfs/dbraw/zinc/20/60/52/988206052.db2.gz OPOTWHGARRLHQB-FQEVSTJZSA-N 1 0 374.481 2.838 20 10 FFCDRO CCN(C(=O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000922476508 988626901 /nfs/dbraw/zinc/62/69/01/988626901.db2.gz CQTQSMPUFIZLFJ-UHFFFAOYSA-N 1 0 371.456 2.805 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(CCOc3ccccc3)CC2)c1O ZINC000916568170 989831341 /nfs/dbraw/zinc/83/13/41/989831341.db2.gz LHRNMMUFZMFQNE-UHFFFAOYSA-N 1 0 356.466 2.906 20 10 FFCDRO Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1N1CCOCC1 ZINC000154482747 990261976 /nfs/dbraw/zinc/26/19/76/990261976.db2.gz PFELVPYSYYUSNC-UHFFFAOYSA-N 1 0 369.484 2.980 20 10 FFCDRO CC[C@@H]1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000704605302 990366754 /nfs/dbraw/zinc/36/67/54/990366754.db2.gz BRYATGPTXBUHOB-UONOGXRCSA-N 1 0 364.442 2.999 20 10 FFCDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000706408398 990568603 /nfs/dbraw/zinc/56/86/03/990568603.db2.gz XKLWLXIVVNPAMW-INIZCTEOSA-N 1 0 363.502 2.868 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000921118119 990979579 /nfs/dbraw/zinc/97/95/79/990979579.db2.gz KZPSYPNRMSIURT-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000921119914 990980453 /nfs/dbraw/zinc/98/04/53/990980453.db2.gz DSXKTKJGZIDJID-FUHWJXTLSA-N 1 0 363.502 2.813 20 10 FFCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cccc(C)c3O)CC2)nc1 ZINC000179897569 991368863 /nfs/dbraw/zinc/36/88/63/991368863.db2.gz RMHJNTRCLWIREX-UHFFFAOYSA-N 1 0 369.465 2.985 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180215456 991456829 /nfs/dbraw/zinc/45/68/29/991456829.db2.gz APOYLTZLRBHFIJ-AWEZNQCLSA-N 1 0 359.449 2.620 20 10 FFCDRO COCCCNC(=O)C[N@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068960131 991554624 /nfs/dbraw/zinc/55/46/24/991554624.db2.gz NPFIGVHOMAVXLB-UHFFFAOYSA-N 1 0 360.454 2.602 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181820027 991889782 /nfs/dbraw/zinc/88/97/82/991889782.db2.gz MDBBTVLSJZUVJM-HNNXBMFYSA-N 1 0 370.453 2.936 20 10 FFCDRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182362311 992018583 /nfs/dbraw/zinc/01/85/83/992018583.db2.gz YDTBPRIRFAFVDX-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCCOc2cccc(C)c2)c1 ZINC000182448278 992053672 /nfs/dbraw/zinc/05/36/72/992053672.db2.gz KFIMDGNUXHAQMO-INIZCTEOSA-N 1 0 372.465 2.945 20 10 FFCDRO CCNC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000183424269 992444802 /nfs/dbraw/zinc/44/48/02/992444802.db2.gz DLBYCRQHGJNIDF-AWEZNQCLSA-N 1 0 358.438 2.767 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000184268201 992713301 /nfs/dbraw/zinc/71/33/01/992713301.db2.gz IOZFNKRGWVDCLV-UHFFFAOYSA-N 1 0 354.410 2.989 20 10 FFCDRO COCC[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001107007363 993139067 /nfs/dbraw/zinc/13/90/67/993139067.db2.gz WIUGPHNIJQJZNR-SZVBFZGTSA-N 1 0 362.514 2.860 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)ccc21 ZINC000747548105 994447017 /nfs/dbraw/zinc/44/70/17/994447017.db2.gz VKYFLCXSAHJHPN-UHFFFAOYSA-N 1 0 362.437 2.971 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C)c1O ZINC000809619591 994551725 /nfs/dbraw/zinc/55/17/25/994551725.db2.gz URGJWXGEPHFBOB-UHFFFAOYSA-N 1 0 374.506 2.534 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000747622801 994869453 /nfs/dbraw/zinc/86/94/53/994869453.db2.gz YONGTCRIKHEHQB-GOSISDBHSA-N 1 0 358.482 2.711 20 10 FFCDRO CN(C)c1ccc([C@@H](CN[C@H](c2cccs2)c2nc[nH]n2)[NH+](C)C)cc1 ZINC000903449639 1015898339 /nfs/dbraw/zinc/89/83/39/1015898339.db2.gz YXVPYHSWUMQMCA-SJLPKXTDSA-N 1 0 370.526 2.914 20 10 FFCDRO COc1cc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C ZINC001132899247 995193181 /nfs/dbraw/zinc/19/31/81/995193181.db2.gz QPBBMVUPCKLAFI-UHFFFAOYSA-N 1 0 367.493 2.614 20 10 FFCDRO CCC[N@H+](CC(=O)NCCN1CCc2ccccc21)Cc1ccccc1O ZINC000727830669 995980399 /nfs/dbraw/zinc/98/03/99/995980399.db2.gz GJRVJQJNJSRDGA-UHFFFAOYSA-N 1 0 367.493 2.783 20 10 FFCDRO CCC(=O)N1CCC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000128727472 1016059871 /nfs/dbraw/zinc/05/98/71/1016059871.db2.gz MJLZDLLILPPBBX-UHFFFAOYSA-N 1 0 370.449 2.776 20 10 FFCDRO Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000844175079 997694706 /nfs/dbraw/zinc/69/47/06/997694706.db2.gz FACLQJJSXKZPDV-UZLBHIALSA-N 1 0 353.466 2.709 20 10 FFCDRO C[C@@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000844177038 997695027 /nfs/dbraw/zinc/69/50/27/997695027.db2.gz YLQFLWWAAWPWSQ-IERDGZPVSA-N 1 0 353.466 2.575 20 10 FFCDRO CC[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]1 ZINC000844188587 997699082 /nfs/dbraw/zinc/69/90/82/997699082.db2.gz WZOILQOWNDYHJN-AUUYWEPGSA-N 1 0 367.440 2.905 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)COc2ccccc2F)cc1 ZINC000844398756 997859072 /nfs/dbraw/zinc/85/90/72/997859072.db2.gz BMHBDWAMWSTUIZ-KRWDZBQOSA-N 1 0 362.445 2.642 20 10 FFCDRO CCOC(=O)c1ccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)nc1 ZINC000844401423 997862060 /nfs/dbraw/zinc/86/20/60/997862060.db2.gz LBZZGBJEINUUBC-UHFFFAOYSA-N 1 0 357.454 2.835 20 10 FFCDRO C[C@@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000844926661 998233438 /nfs/dbraw/zinc/23/34/38/998233438.db2.gz JEYSKMAGDVUTKD-GOSISDBHSA-N 1 0 374.529 2.712 20 10 FFCDRO COC(=O)Cc1cc(NCc2cc(Br)ccc2O)cc[nH+]1 ZINC001171177727 998507064 /nfs/dbraw/zinc/50/70/64/998507064.db2.gz HNBDKAUZCNSKPN-UHFFFAOYSA-N 1 0 351.200 2.877 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1cccc(Cl)c1 ZINC000732148320 998507562 /nfs/dbraw/zinc/50/75/62/998507562.db2.gz ZFLWOZXBNGVLHO-SFHVURJKSA-N 1 0 374.916 2.723 20 10 FFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCC2(CC1)OCCO2 ZINC000732204618 998547334 /nfs/dbraw/zinc/54/73/34/998547334.db2.gz PBNCUJJGRFLEOM-UHFFFAOYSA-N 1 0 374.481 2.502 20 10 FFCDRO Cn1ncc2c1nc(C[N@H+](Cc1ccccc1O)C1CCCC1)[nH]c2=O ZINC000732204597 998548185 /nfs/dbraw/zinc/54/81/85/998548185.db2.gz OJCYJJQGTYOFBS-UHFFFAOYSA-N 1 0 353.426 2.719 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@@H]21 ZINC001144504575 998612242 /nfs/dbraw/zinc/61/22/42/998612242.db2.gz VWPVVYPTKCTEIU-DOMZBBRYSA-N 1 0 364.442 2.635 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516090 998627817 /nfs/dbraw/zinc/62/78/17/998627817.db2.gz PAAQLCJRVOXJDF-GOSISDBHSA-N 1 0 352.431 2.540 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2c(O)cc(O)cc2O)C2CC2)C1 ZINC001144516431 998628318 /nfs/dbraw/zinc/62/83/18/998628318.db2.gz YFQCCZHBTIYVHK-CYBMUJFWSA-N 1 0 364.442 2.777 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001085206091 999161218 /nfs/dbraw/zinc/16/12/18/999161218.db2.gz ZQONJKZWFRGZSJ-OOSNJVJTSA-N 1 0 358.482 2.557 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)ncn2C)cc1C ZINC001085233906 999222113 /nfs/dbraw/zinc/22/21/13/999222113.db2.gz QXTFVBKRZKQJJS-QZTJIDSGSA-N 1 0 370.497 2.876 20 10 FFCDRO Cc1c(C[C@H](C[NH3+])CN2CCCc3cc(OC(F)F)ccc32)cnn1C ZINC000903905849 1016298557 /nfs/dbraw/zinc/29/85/57/1016298557.db2.gz PCNSIRNLHGMWNU-CQSZACIVSA-N 1 0 364.440 2.900 20 10 FFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000738991484 999637688 /nfs/dbraw/zinc/63/76/88/999637688.db2.gz XMRRQCDGYRKSJA-XLIONFOSSA-N 1 0 374.529 2.566 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1F ZINC000742393158 999771935 /nfs/dbraw/zinc/77/19/35/999771935.db2.gz VQZBWLIFAYPAHV-KDOFPFPSSA-N 1 0 373.476 2.689 20 10 FFCDRO [NH3+]Cc1ccc2c(n1)N(c1cccc3c1NC(=O)C31CCOCC1)CCC2 ZINC001169591831 1000060107 /nfs/dbraw/zinc/06/01/07/1000060107.db2.gz OVOVGQANHRRAMG-UHFFFAOYSA-N 1 0 364.449 2.625 20 10 FFCDRO CCOC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001169646346 1000065633 /nfs/dbraw/zinc/06/56/33/1000065633.db2.gz SFAUWFJPZHPFJF-GOSISDBHSA-N 1 0 361.486 2.624 20 10 FFCDRO CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1O ZINC000103479532 1000088056 /nfs/dbraw/zinc/08/80/56/1000088056.db2.gz BOBMVSPTPHQODJ-UHFFFAOYSA-N 1 0 355.438 2.732 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768218470 1000196401 /nfs/dbraw/zinc/19/64/01/1000196401.db2.gz JGKLOHUUIMOAIL-OXJNMPFZSA-N 1 0 370.449 2.908 20 10 FFCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C1 ZINC000846066572 1000202433 /nfs/dbraw/zinc/20/24/33/1000202433.db2.gz CUAAXZJDCOEURP-QHCPKHFHSA-N 1 0 365.521 2.882 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@]2(O)CCCOC2)ccc1N1CCCCC1 ZINC000846109375 1000202984 /nfs/dbraw/zinc/20/29/84/1000202984.db2.gz HQHVUUMZWMANNW-LJQANCHMSA-N 1 0 363.458 2.606 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccc(-c3nncnn3)cc2)ccc1OC ZINC000846099880 1000207584 /nfs/dbraw/zinc/20/75/84/1000207584.db2.gz AATSGEAWICNXJM-UHFFFAOYSA-N 1 0 365.437 2.769 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1O ZINC000846166327 1000214897 /nfs/dbraw/zinc/21/48/97/1000214897.db2.gz VIFQABBDYJZKIZ-YOEHRIQHSA-N 1 0 355.438 2.638 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000846170848 1000215934 /nfs/dbraw/zinc/21/59/34/1000215934.db2.gz MGIWNKGLJZXDMF-ZDUSSCGKSA-N 1 0 354.406 2.738 20 10 FFCDRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768340813 1000217017 /nfs/dbraw/zinc/21/70/17/1000217017.db2.gz FKFORSJNMZZUIJ-IBGZPJMESA-N 1 0 374.506 2.963 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439365 1000248199 /nfs/dbraw/zinc/24/81/99/1000248199.db2.gz GODRJMPGQASVSN-CRAIPNDOSA-N 1 0 360.498 2.634 20 10 FFCDRO COc1ccc(OC2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1 ZINC000768438548 1000249493 /nfs/dbraw/zinc/24/94/93/1000249493.db2.gz BKOBLORMDZRYSV-HXUWFJFHSA-N 1 0 371.433 2.870 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCO3)[C@H](O)CO2 ZINC000768448202 1000250548 /nfs/dbraw/zinc/25/05/48/1000250548.db2.gz BPMDIOWUEVNALO-DOTOQJQBSA-N 1 0 355.390 2.884 20 10 FFCDRO NC(=O)c1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)cc1 ZINC000768445709 1000250928 /nfs/dbraw/zinc/25/09/28/1000250928.db2.gz GRWVTLVWCMKECK-UHFFFAOYSA-N 1 0 365.477 2.692 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465525 1000263740 /nfs/dbraw/zinc/26/37/40/1000263740.db2.gz ILVMLQSCWFHESS-PXNSSMCTSA-N 1 0 354.450 2.524 20 10 FFCDRO C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000768466705 1000264255 /nfs/dbraw/zinc/26/42/55/1000264255.db2.gz VBNWVMZKIHYAMN-KKSFZXQISA-N 1 0 368.477 2.914 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000846312264 1000265460 /nfs/dbraw/zinc/26/54/60/1000265460.db2.gz GWZSUBBEHIJTOD-UHFFFAOYSA-N 1 0 372.469 2.633 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cn2ccc3ccc(F)cc32)cc1 ZINC000846663836 1000404108 /nfs/dbraw/zinc/40/41/08/1000404108.db2.gz PJDQGMFUTJJCFV-SFHVURJKSA-N 1 0 354.429 2.663 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000846677750 1000406206 /nfs/dbraw/zinc/40/62/06/1000406206.db2.gz SGZOXQKBWXBHHY-DFQSSKMNSA-N 1 0 359.514 2.778 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cc(C)cc(C)c1)cc2=O ZINC000769848608 1000620255 /nfs/dbraw/zinc/62/02/55/1000620255.db2.gz ZZQXUQLNICHSHI-UHFFFAOYSA-N 1 0 368.437 2.860 20 10 FFCDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(C(C)(C)C)no1 ZINC000771841951 1001211520 /nfs/dbraw/zinc/21/15/20/1001211520.db2.gz HHNSPDIXZNXWDE-HNNXBMFYSA-N 1 0 357.502 2.970 20 10 FFCDRO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000771815185 1001217163 /nfs/dbraw/zinc/21/71/63/1001217163.db2.gz KPVNGYFTUFQXGJ-IBGZPJMESA-N 1 0 369.509 2.931 20 10 FFCDRO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087073364 1001753254 /nfs/dbraw/zinc/75/32/54/1001753254.db2.gz UWXBBVXJTMBZKQ-VXXKDZQQSA-N 1 0 360.498 2.613 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)C1 ZINC000788245762 1001777641 /nfs/dbraw/zinc/77/76/41/1001777641.db2.gz KSEDYEFEHCPPRY-PGFLUOATSA-N 1 0 371.525 2.970 20 10 FFCDRO CC[N@@H+]1CCN(Cc2ccc(I)cc2O)[C@H](C)C1 ZINC001232981156 1036213220 /nfs/dbraw/zinc/21/32/20/1036213220.db2.gz YTBMAMWTNQITRN-LLVKDONJSA-N 1 0 360.239 2.523 20 10 FFCDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000788596328 1001830182 /nfs/dbraw/zinc/83/01/82/1001830182.db2.gz IPHYJRCOAZIKJC-UHFFFAOYSA-N 1 0 373.522 2.827 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1 ZINC000774420182 1001903279 /nfs/dbraw/zinc/90/32/79/1001903279.db2.gz RKGCLVOBIWBBLR-HXUWFJFHSA-N 1 0 373.522 2.803 20 10 FFCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000774520049 1001965865 /nfs/dbraw/zinc/96/58/65/1001965865.db2.gz YSULHGYREDQWFR-MJBXVCDLSA-N 1 0 374.441 2.767 20 10 FFCDRO C[C@H](NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000789214271 1001996712 /nfs/dbraw/zinc/99/67/12/1001996712.db2.gz VUBWYKWHCPZZOC-BBWFWOEESA-N 1 0 362.518 2.564 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(O)c1 ZINC000792804827 1003188519 /nfs/dbraw/zinc/18/85/19/1003188519.db2.gz WHQKGAXNIMPQFQ-GOSISDBHSA-N 1 0 363.502 2.957 20 10 FFCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c(O)c1 ZINC000793386040 1003359073 /nfs/dbraw/zinc/35/90/73/1003359073.db2.gz HWCFMETUUNJFNT-UHFFFAOYSA-N 1 0 353.378 2.809 20 10 FFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203645724 1003424160 /nfs/dbraw/zinc/42/41/60/1003424160.db2.gz NPGCGJPNNKNEMK-MJVIPROJSA-N 1 0 354.244 2.928 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC001197582277 1004286391 /nfs/dbraw/zinc/28/63/91/1004286391.db2.gz KUXWLKVAZXFULY-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000806538594 1004347728 /nfs/dbraw/zinc/34/77/28/1004347728.db2.gz MZTISKZSLWLGJD-GOSISDBHSA-N 1 0 359.514 2.998 20 10 FFCDRO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775826820 1004531573 /nfs/dbraw/zinc/53/15/73/1004531573.db2.gz IHLGOGCRRVRZED-MRXNPFEDSA-N 1 0 355.482 2.866 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000808157100 1004763435 /nfs/dbraw/zinc/76/34/35/1004763435.db2.gz SKXKEZWZMJCNMX-RBUKOAKNSA-N 1 0 371.456 2.514 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)C1 ZINC001199608487 1004985026 /nfs/dbraw/zinc/98/50/26/1004985026.db2.gz IJJPVSKVHSKSOP-MRXNPFEDSA-N 1 0 358.873 2.727 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000105228447 1005010099 /nfs/dbraw/zinc/01/00/99/1005010099.db2.gz DDJPAQGKGWZZIE-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108557736 1005679786 /nfs/dbraw/zinc/67/97/86/1005679786.db2.gz LRFMSZACUSTZQQ-SFHVURJKSA-N 1 0 374.554 2.523 20 10 FFCDRO CCCn1nccc1C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000850014062 1005777750 /nfs/dbraw/zinc/77/77/50/1005777750.db2.gz SREWGEWEXFFTAP-UHFFFAOYSA-N 1 0 371.529 2.604 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)sc(=O)n4C)C2)cc1 ZINC000850346563 1005808933 /nfs/dbraw/zinc/80/89/33/1005808933.db2.gz HBPZYUPEDUOYAM-OAHLLOKOSA-N 1 0 369.490 2.977 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3C(=O)N(C)C)C2)cc1 ZINC000850347358 1005809057 /nfs/dbraw/zinc/80/90/57/1005809057.db2.gz QVAIIHQLQAYMLM-KRWDZBQOSA-N 1 0 353.466 2.766 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)[C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000850354308 1005810929 /nfs/dbraw/zinc/81/09/29/1005810929.db2.gz YQCWOFUTHLXDBT-ORYQWCPZSA-N 1 0 362.514 2.820 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 ZINC000850359455 1005811139 /nfs/dbraw/zinc/81/11/39/1005811139.db2.gz IEHOAQYJVCHIAQ-OAHLLOKOSA-N 1 0 356.422 2.695 20 10 FFCDRO Cc1ccc2ncc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)n2c1 ZINC000850405918 1005813742 /nfs/dbraw/zinc/81/37/42/1005813742.db2.gz KGPBRMPMBDVQQV-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c1O ZINC000850576847 1005823428 /nfs/dbraw/zinc/82/34/28/1005823428.db2.gz PWQQUUDNBYLEMA-HKUYNNGSSA-N 1 0 369.509 2.868 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000850753086 1005835916 /nfs/dbraw/zinc/83/59/16/1005835916.db2.gz WOBIXPZWBUFNGN-GOSISDBHSA-N 1 0 366.465 2.741 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769327 1005862282 /nfs/dbraw/zinc/86/22/82/1005862282.db2.gz IQAMOIXFIVTTLU-INIZCTEOSA-N 1 0 369.465 2.584 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000851656218 1005903456 /nfs/dbraw/zinc/90/34/56/1005903456.db2.gz GMDVXFSKNIAFDD-FQEVSTJZSA-N 1 0 368.525 2.984 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000851657123 1005903815 /nfs/dbraw/zinc/90/38/15/1005903815.db2.gz VIEZBWCLPSZTPJ-FQEVSTJZSA-N 1 0 370.541 2.990 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851657062 1005903882 /nfs/dbraw/zinc/90/38/82/1005903882.db2.gz VNECWEWGFJEBBH-IBGZPJMESA-N 1 0 358.530 2.982 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CCC(C[NH+](C)C)CC3)C2)cc1 ZINC000852225990 1005953281 /nfs/dbraw/zinc/95/32/81/1005953281.db2.gz VNHQVVHAJDSEFM-DAWZGUTISA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1 ZINC000852447884 1006028937 /nfs/dbraw/zinc/02/89/37/1006028937.db2.gz GDQKHLAPJGONIJ-AOIWGVFYSA-N 1 0 372.513 2.542 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1cc(C2CC[NH2+]CC2)no1 ZINC000852810178 1006195188 /nfs/dbraw/zinc/19/51/88/1006195188.db2.gz CGHCVEKZJSNGKE-UHFFFAOYSA-N 1 0 355.438 2.656 20 10 FFCDRO O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852869282 1006213628 /nfs/dbraw/zinc/21/36/28/1006213628.db2.gz BAWIDVZETWACCE-OAHLLOKOSA-N 1 0 365.424 2.683 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C3CCOCC3)cc2)CC1 ZINC000881854194 1006244688 /nfs/dbraw/zinc/24/46/88/1006244688.db2.gz WRTWOKSIERIYDW-UHFFFAOYSA-N 1 0 359.514 2.507 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1F ZINC000853122394 1006304829 /nfs/dbraw/zinc/30/48/29/1006304829.db2.gz PXNHNNQUYPYPJB-UHFFFAOYSA-N 1 0 371.456 2.905 20 10 FFCDRO C[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1O ZINC000111236063 1006362224 /nfs/dbraw/zinc/36/22/24/1006362224.db2.gz GHYBPKDTQHZMSK-UHFFFAOYSA-N 1 0 373.884 2.826 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+](C)C3CCCCC3)C2)cc1 ZINC000853585824 1006460112 /nfs/dbraw/zinc/46/01/12/1006460112.db2.gz JQURSNHDZJHOEA-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC000853681317 1006502845 /nfs/dbraw/zinc/50/28/45/1006502845.db2.gz BVCJGABYIGTURU-YLJYHZDGSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](CC(N)=O)c3ccccc3)CC2)cc1 ZINC000815153183 1006520211 /nfs/dbraw/zinc/52/02/11/1006520211.db2.gz DILVTGHDACBLIK-FQEVSTJZSA-N 1 0 353.466 2.870 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H]1n1cccn1 ZINC000815167039 1006524448 /nfs/dbraw/zinc/52/44/48/1006524448.db2.gz OCNBYOKQWWAHBC-PWRODBHTSA-N 1 0 370.497 2.869 20 10 FFCDRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000854002972 1006624843 /nfs/dbraw/zinc/62/48/43/1006624843.db2.gz DNRDYIIZVVKLSS-XLIONFOSSA-N 1 0 374.529 2.710 20 10 FFCDRO C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000854004985 1006626420 /nfs/dbraw/zinc/62/64/20/1006626420.db2.gz MQFDGWMLOYABIE-QFBILLFUSA-N 1 0 362.518 2.566 20 10 FFCDRO COC1(CO)CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000775203731 1006746280 /nfs/dbraw/zinc/74/62/80/1006746280.db2.gz HKTLDWWXFVYYMH-UHFFFAOYSA-N 1 0 357.450 2.945 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816484745 1007064704 /nfs/dbraw/zinc/06/47/04/1007064704.db2.gz NDNXPBXSNSJFRA-UHFFFAOYSA-N 1 0 369.509 2.922 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n2ncnc2n1 ZINC000816486300 1007065382 /nfs/dbraw/zinc/06/53/82/1007065382.db2.gz XHJXZDXSUMFSOE-UHFFFAOYSA-N 1 0 374.448 2.614 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775257051 1007110093 /nfs/dbraw/zinc/11/00/93/1007110093.db2.gz DUYSKQMLYICRFK-SJORKVTESA-N 1 0 371.525 2.963 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000775256970 1007112900 /nfs/dbraw/zinc/11/29/00/1007112900.db2.gz BKACMLZYKWOYJI-YWZLYKJASA-N 1 0 371.437 2.816 20 10 FFCDRO CCN1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3O)CC2)CC1 ZINC000816889032 1007241248 /nfs/dbraw/zinc/24/12/48/1007241248.db2.gz KBOUGZSGXWTYCX-UHFFFAOYSA-N 1 0 359.514 2.547 20 10 FFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000776813099 1007353532 /nfs/dbraw/zinc/35/35/32/1007353532.db2.gz TZXQCHWETNBPBL-TZIWHRDSSA-N 1 0 357.450 2.969 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)n3C)C2)cc1C ZINC001086786526 1007391225 /nfs/dbraw/zinc/39/12/25/1007391225.db2.gz FMDMTDBLZJJSKF-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO C[C@@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1(F)F ZINC000817441614 1007607383 /nfs/dbraw/zinc/60/73/83/1007607383.db2.gz OIHQIGBMYHBFSA-IBGZPJMESA-N 1 0 363.452 2.880 20 10 FFCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903926 1007805284 /nfs/dbraw/zinc/80/52/84/1007805284.db2.gz XCMIAYPBBPLQIE-GDBMZVCRSA-N 1 0 369.456 2.613 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000817943495 1007820282 /nfs/dbraw/zinc/82/02/82/1007820282.db2.gz UQDFEULFHYWAQH-HNAYVOBHSA-N 1 0 350.470 2.684 20 10 FFCDRO COc1ccc(N2CCC(Nc3ccc(N4CC[NH2+]CC4)cn3)CC2)cc1 ZINC000817948261 1007822944 /nfs/dbraw/zinc/82/29/44/1007822944.db2.gz HUIIGZRSGJZJDH-UHFFFAOYSA-N 1 0 367.497 2.581 20 10 FFCDRO CC(=O)N1CCN(c2cccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c2)CC1 ZINC000817998945 1007830952 /nfs/dbraw/zinc/83/09/52/1007830952.db2.gz MJBROTYAUXDONE-OAHLLOKOSA-N 1 0 366.465 2.627 20 10 FFCDRO CCn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n1 ZINC001086820030 1007895633 /nfs/dbraw/zinc/89/56/33/1007895633.db2.gz MQPFDBALDBMHCW-ZWKOTPCHSA-N 1 0 370.497 2.908 20 10 FFCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000818634903 1007957122 /nfs/dbraw/zinc/95/71/22/1007957122.db2.gz USOYVGXEEZWSGL-UHFFFAOYSA-N 1 0 372.444 2.751 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000818655860 1007960728 /nfs/dbraw/zinc/96/07/28/1007960728.db2.gz OGKKUXYSJWYTQK-JXFKEZNVSA-N 1 0 368.481 2.521 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000819003116 1008006905 /nfs/dbraw/zinc/00/69/05/1008006905.db2.gz SHHNMQRMGAMKRG-FQEVSTJZSA-N 1 0 358.457 2.996 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+]C[C@@H](O)COC3CCOCC3)cc2)CC1 ZINC000819039140 1008029114 /nfs/dbraw/zinc/02/91/14/1008029114.db2.gz NUWVSYSZLKYOBF-HXUWFJFHSA-N 1 0 362.514 2.569 20 10 FFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819077651 1008038253 /nfs/dbraw/zinc/03/82/53/1008038253.db2.gz MHRQTOGANMIHDW-IBGZPJMESA-N 1 0 358.482 2.989 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1C ZINC000857067131 1008049786 /nfs/dbraw/zinc/04/97/86/1008049786.db2.gz FOCSIARKRLLALT-UHFFFAOYSA-N 1 0 357.429 2.569 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COc3cccc(C)c3)C2)cc1 ZINC000819379764 1008127932 /nfs/dbraw/zinc/12/79/32/1008127932.db2.gz KXRFFZOLXSDRKP-UYAOXDASSA-N 1 0 370.493 2.859 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000115853974 1008301589 /nfs/dbraw/zinc/30/15/89/1008301589.db2.gz BTYUWZCJEBJLBZ-UHFFFAOYSA-N 1 0 369.513 2.729 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc2ccccc2c1O ZINC000858488924 1008368090 /nfs/dbraw/zinc/36/80/90/1008368090.db2.gz NVMDHMRWJMLWCZ-ZBFHGGJFSA-N 1 0 374.448 2.913 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC000858553121 1008381225 /nfs/dbraw/zinc/38/12/25/1008381225.db2.gz XOKYYPFRPIMXQQ-ZWKOTPCHSA-N 1 0 374.529 2.553 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000859059422 1008470884 /nfs/dbraw/zinc/47/08/84/1008470884.db2.gz FYQJUVNBBLKCHH-NRFANRHFSA-N 1 0 371.525 2.889 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000859288232 1008497606 /nfs/dbraw/zinc/49/76/06/1008497606.db2.gz VMIGPZLTTGFCSY-KRWDZBQOSA-N 1 0 353.466 2.978 20 10 FFCDRO COc1cc(C)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC001177334337 1008571455 /nfs/dbraw/zinc/57/14/55/1008571455.db2.gz OYTXMULFJBBPAM-UHFFFAOYSA-N 1 0 359.445 2.973 20 10 FFCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325009 1008636840 /nfs/dbraw/zinc/63/68/40/1008636840.db2.gz PVXMQCRMUITGFM-UHFFFAOYSA-N 1 0 356.445 2.521 20 10 FFCDRO COc1cccc(O)c1C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000822525381 1008646415 /nfs/dbraw/zinc/64/64/15/1008646415.db2.gz GAYPTBJRZZJTBB-UHFFFAOYSA-N 1 0 354.406 2.519 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773702502 1008696793 /nfs/dbraw/zinc/69/67/93/1008696793.db2.gz OYRWSZVUAXINES-OALUTQOASA-N 1 0 359.514 2.507 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1c([O-])cccc1F ZINC000886520329 1008714681 /nfs/dbraw/zinc/71/46/81/1008714681.db2.gz BIWXUEXCTSVOAE-CQSZACIVSA-N 1 0 359.445 2.674 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1c([O-])cccc1F ZINC000886549075 1008732619 /nfs/dbraw/zinc/73/26/19/1008732619.db2.gz BEXMBBHYCZRDRT-CQSZACIVSA-N 1 0 359.445 2.674 20 10 FFCDRO CCOCc1cc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)ccc1OC ZINC001177805020 1008754822 /nfs/dbraw/zinc/75/48/22/1008754822.db2.gz WTFDRTYTXQOIHI-FQEVSTJZSA-N 1 0 362.514 2.965 20 10 FFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000886751056 1008860111 /nfs/dbraw/zinc/86/01/11/1008860111.db2.gz GNBJHTHQMFOJFF-MRXNPFEDSA-N 1 0 359.514 2.826 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCc4cccnc43)cc2)CC1 ZINC000886751725 1008860904 /nfs/dbraw/zinc/86/09/04/1008860904.db2.gz ZUAACQMVCCHQDW-IBGZPJMESA-N 1 0 350.466 2.560 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC000823629454 1009146036 /nfs/dbraw/zinc/14/60/36/1009146036.db2.gz VYIQQUWYSAYURT-IRXDYDNUSA-N 1 0 362.518 2.549 20 10 FFCDRO Nc1ccc(-n2cc(-c3csc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)n3)nn2)cc1 ZINC000887453899 1009238173 /nfs/dbraw/zinc/23/81/73/1009238173.db2.gz ITLSQCZYONOXDA-PBHICJAKSA-N 1 0 368.466 2.509 20 10 FFCDRO Cc1cccc(N(C(=O)/C=C/c2ccc(O)c(O)c2)C2CC[NH2+]CC2)n1 ZINC001179687268 1009401645 /nfs/dbraw/zinc/40/16/45/1009401645.db2.gz ROKQSIVYEKTQCU-SOFGYWHQSA-N 1 0 353.422 2.600 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)[NH+](C)C)cc1 ZINC001180178885 1009572651 /nfs/dbraw/zinc/57/26/51/1009572651.db2.gz HNILZCLPGMCNKA-CDMIOBSGSA-N 1 0 371.525 2.867 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000862141157 1009716650 /nfs/dbraw/zinc/71/66/50/1009716650.db2.gz HVDGTICZPVGKFK-MOBUCQHHSA-N 1 0 353.466 2.977 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1F ZINC000862252569 1009766572 /nfs/dbraw/zinc/76/65/72/1009766572.db2.gz FDZWUFWDZMSCOY-UGSOOPFHSA-N 1 0 364.440 2.710 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000777246503 1009793110 /nfs/dbraw/zinc/79/31/10/1009793110.db2.gz YFLLABYSILASMO-UWJYYQICSA-N 1 0 369.509 2.777 20 10 FFCDRO CCC1(N2CCOCC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000862535343 1009868593 /nfs/dbraw/zinc/86/85/93/1009868593.db2.gz JZXXMOGPUCMPOC-UHFFFAOYSA-N 1 0 373.541 2.600 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1O ZINC000862539607 1009872809 /nfs/dbraw/zinc/87/28/09/1009872809.db2.gz ZZEKWRHNJUQREA-UKMLZYKCSA-N 1 0 368.399 2.932 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C(F)F)CC3)cc2)CC1 ZINC000889666194 1010046240 /nfs/dbraw/zinc/04/62/40/1010046240.db2.gz HTAHVIBOJISQPV-UHFFFAOYSA-N 1 0 366.456 2.625 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2C)cc1C ZINC001093637415 1010401850 /nfs/dbraw/zinc/40/18/50/1010401850.db2.gz FHQXMNPWIFTYLG-SJLPKXTDSA-N 1 0 355.482 2.840 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)n3cccn3)C[C@H]2C)cc1C ZINC001093649558 1010414434 /nfs/dbraw/zinc/41/44/34/1010414434.db2.gz FUQOBIAHOCJNPD-ZIFCJYIRSA-N 1 0 370.497 2.645 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)cc1C ZINC001093671575 1010452633 /nfs/dbraw/zinc/45/26/33/1010452633.db2.gz MIVQDTIQKOUIFI-GDBMZVCRSA-N 1 0 359.495 2.958 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCCO3)C[C@H]2C)cc1C ZINC001093719328 1010498136 /nfs/dbraw/zinc/49/81/36/1010498136.db2.gz AGUTZPAQVOEQGK-YVWKXTFCSA-N 1 0 360.498 2.757 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)Cc3ccccc3O)CC2)c1 ZINC000120254289 1010596624 /nfs/dbraw/zinc/59/66/24/1010596624.db2.gz XKSDPZQKHBPBSZ-UHFFFAOYSA-N 1 0 367.493 2.871 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(C)cc1O ZINC000794792534 1010601360 /nfs/dbraw/zinc/60/13/60/1010601360.db2.gz LDGDGJXKROEWBV-MRXNPFEDSA-N 1 0 359.470 2.996 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C)C[C@H]2C)cc1C ZINC001094053179 1010811481 /nfs/dbraw/zinc/81/14/81/1010811481.db2.gz IJWUKOHOHJCMHK-ODZKNYGOSA-N 1 0 360.498 2.613 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4c(cnn4C)c3)C2)cc1 ZINC000865609625 1010826470 /nfs/dbraw/zinc/82/64/70/1010826470.db2.gz ZCQPEZNLHPIWIX-HNNXBMFYSA-N 1 0 351.454 2.593 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1 ZINC000865816214 1010868380 /nfs/dbraw/zinc/86/83/80/1010868380.db2.gz BYRLBYZBBOVGJW-UHFFFAOYSA-N 1 0 355.438 2.606 20 10 FFCDRO O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001275035476 1011844020 /nfs/dbraw/zinc/84/40/20/1011844020.db2.gz VJZGZXUTGOANFC-CQSZACIVSA-N 1 0 372.387 2.769 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1 ZINC001275238536 1012121984 /nfs/dbraw/zinc/12/19/84/1012121984.db2.gz KNEIVZDUXIOEGK-AWEZNQCLSA-N 1 0 356.388 2.981 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)c1 ZINC001275253720 1012153073 /nfs/dbraw/zinc/15/30/73/1012153073.db2.gz FNIRVTPHXJTJBD-UHFFFAOYSA-N 1 0 352.434 2.911 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4cc[nH]c4)C3)C2=O)cc1 ZINC001275265379 1012175472 /nfs/dbraw/zinc/17/54/72/1012175472.db2.gz JIBNJYHHTHEMIR-NRFANRHFSA-N 1 0 352.482 2.705 20 10 FFCDRO O=S1(=O)CC(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796359567 1012338269 /nfs/dbraw/zinc/33/82/69/1012338269.db2.gz GSGYZDZLMYVLLK-UHFFFAOYSA-N 1 0 370.518 2.774 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001275385246 1012403733 /nfs/dbraw/zinc/40/37/33/1012403733.db2.gz CUULGFPCZZHMRL-NRFANRHFSA-N 1 0 358.482 2.718 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870861096 1012610566 /nfs/dbraw/zinc/61/05/66/1012610566.db2.gz CVIDNWMQDBKDNJ-WSTZPKSXSA-N 1 0 359.514 2.778 20 10 FFCDRO COC(=O)CCCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001173457364 1012627487 /nfs/dbraw/zinc/62/74/87/1012627487.db2.gz JYEHXSXRCJNWLU-INIZCTEOSA-N 1 0 364.486 2.948 20 10 FFCDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204887 1012784878 /nfs/dbraw/zinc/78/48/78/1012784878.db2.gz RPUYSLNXPHNMMD-DHZHZOJOSA-N 1 0 352.434 2.888 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001275770689 1012983807 /nfs/dbraw/zinc/98/38/07/1012983807.db2.gz FRGINULGEXGXJA-UTKZUKDTSA-N 1 0 360.498 2.858 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275770680 1012985794 /nfs/dbraw/zinc/98/57/94/1012985794.db2.gz FLMDTMVSJXADFG-GOSISDBHSA-N 1 0 360.498 2.764 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001275771013 1012987178 /nfs/dbraw/zinc/98/71/78/1012987178.db2.gz JYOWXESOJAVMJG-HRAATJIYSA-N 1 0 358.482 2.944 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001275771487 1012990206 /nfs/dbraw/zinc/99/02/06/1012990206.db2.gz OVRYXVGUCBETBK-FQEVSTJZSA-N 1 0 355.438 2.764 20 10 FFCDRO Cc1cc(CC[NH2+][C@@H]2C(=O)NCC23CCOCC3)c(C)n1-c1ccccc1 ZINC000924590778 1017365141 /nfs/dbraw/zinc/36/51/41/1017365141.db2.gz XPPINMUZLXYSAL-HXUWFJFHSA-N 1 0 367.493 2.521 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cn(C(C)C)nn3)cc2F)CC1 ZINC000924996162 1017575103 /nfs/dbraw/zinc/57/51/03/1017575103.db2.gz PFVLQQWMJJQGOC-INIZCTEOSA-N 1 0 374.508 2.991 20 10 FFCDRO COCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827323953 1017616898 /nfs/dbraw/zinc/61/68/98/1017616898.db2.gz VAQWWLJUKULZOS-UHFFFAOYSA-N 1 0 373.541 2.960 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925817273 1017860394 /nfs/dbraw/zinc/86/03/94/1017860394.db2.gz OGCATEHQISKJPQ-OAHLLOKOSA-N 1 0 370.453 2.556 20 10 FFCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000926874231 1018277115 /nfs/dbraw/zinc/27/71/15/1018277115.db2.gz RLLKMWRZCFLINY-HNNXBMFYSA-N 1 0 368.481 2.643 20 10 FFCDRO C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000827726204 1018630820 /nfs/dbraw/zinc/63/08/20/1018630820.db2.gz VEAPWUSHNVGASC-LNLFQRSKSA-N 1 0 359.514 2.726 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001045076035 1019815740 /nfs/dbraw/zinc/81/57/40/1019815740.db2.gz YDXWIPGROWRSAY-RCCFBDPRSA-N 1 0 368.481 2.611 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001045125514 1019845581 /nfs/dbraw/zinc/84/55/81/1019845581.db2.gz LASYYHSBQIGJTA-VNYTWHDVSA-N 1 0 372.509 2.899 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)c2ccccc2O)[C@H](c2cnn(C)c2)C1 ZINC000827956373 1020123307 /nfs/dbraw/zinc/12/33/07/1020123307.db2.gz LCBFALZMYWZGDV-MNEFBYGVSA-N 1 0 370.497 2.817 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(N2CCOCC2)c(F)c1 ZINC000902437023 1020200742 /nfs/dbraw/zinc/20/07/42/1020200742.db2.gz GMHFPEYXCZSAKK-YFZFPPMRSA-N 1 0 355.457 2.938 20 10 FFCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC)c1O ZINC000725844711 1020269299 /nfs/dbraw/zinc/26/92/99/1020269299.db2.gz ZVAWJPBFUPGWMO-GOSISDBHSA-N 1 0 356.466 2.970 20 10 FFCDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000800474277 1020343152 /nfs/dbraw/zinc/34/31/52/1020343152.db2.gz HVMYBGMCSOCGIM-NQIIRXRSSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000900509359 1020460255 /nfs/dbraw/zinc/46/02/55/1020460255.db2.gz UKOUYOUNOJUNEI-ICSRJNTNSA-N 1 0 357.498 2.797 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000802981599 1020545339 /nfs/dbraw/zinc/54/53/39/1020545339.db2.gz VLWQGYPWPCIBAC-RTWAWAEBSA-N 1 0 371.525 2.650 20 10 FFCDRO O=C1c2cccc(O[C@@H]3CCC[NH2+]C[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217951441 1032916042 /nfs/dbraw/zinc/91/60/42/1032916042.db2.gz RQYZUKHCXDENIQ-DZGCQCFKSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC[NH2+]C[C@@H]3F)ccc(O)c21 ZINC001217951541 1032916594 /nfs/dbraw/zinc/91/65/94/1032916594.db2.gz SIHDQMFTZJPQJO-DZGCQCFKSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217947192 1032914298 /nfs/dbraw/zinc/91/42/98/1032914298.db2.gz QSJAOGODSPJRPT-HOCLYGCPSA-N 1 0 355.365 2.637 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H](c3ccccn3)C3CC3)cc2)CC1 ZINC000903096648 1020676072 /nfs/dbraw/zinc/67/60/72/1020676072.db2.gz ICTQMXADBYZBRS-FQEVSTJZSA-N 1 0 371.506 2.557 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CCCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217970126 1032924775 /nfs/dbraw/zinc/92/47/75/1032924775.db2.gz ILYKDVOFNUFKBT-CYBMUJFWSA-N 1 0 351.402 2.992 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cc(C)on3)cc2F)CC1 ZINC000932190595 1020738475 /nfs/dbraw/zinc/73/84/75/1020738475.db2.gz OIJILBGMRNKUSP-UHFFFAOYSA-N 1 0 374.460 2.513 20 10 FFCDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217979297 1032929504 /nfs/dbraw/zinc/92/95/04/1032929504.db2.gz FTMRIIUTRIQMCI-YOEHRIQHSA-N 1 0 369.392 2.945 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[NH2+]CCC[C@H]3F)cccc21 ZINC001217980538 1032931233 /nfs/dbraw/zinc/93/12/33/1032931233.db2.gz ZIABVUARPNDKEN-CJNGLKHVSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003049 1032940129 /nfs/dbraw/zinc/94/01/29/1032940129.db2.gz HVMUBRJAGDAYEI-LJQANCHMSA-N 1 0 352.434 2.817 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+][C@@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218062765 1032976224 /nfs/dbraw/zinc/97/62/24/1032976224.db2.gz WHCHAWQVJOJUHC-AAEUAGOBSA-N 1 0 351.402 2.995 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218113975 1033004394 /nfs/dbraw/zinc/00/43/94/1033004394.db2.gz AOVOWOUZNBMALL-VGOFRKELSA-N 1 0 363.413 2.997 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc(O)c(O)c21 ZINC001218187436 1033039326 /nfs/dbraw/zinc/03/93/26/1033039326.db2.gz YGIAIFGDVHKCAJ-GDNZZTSVSA-N 1 0 365.385 2.535 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222563317 1033052404 /nfs/dbraw/zinc/05/24/04/1033052404.db2.gz MTSMGVRVGXRRRZ-UNMCSNQZSA-N 1 0 367.468 2.734 20 10 FFCDRO CCC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccccc1O ZINC000750875170 1022693250 /nfs/dbraw/zinc/69/32/50/1022693250.db2.gz OHOFOAGLGHJNIL-UHFFFAOYSA-N 1 0 371.437 2.961 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000829275073 1033073198 /nfs/dbraw/zinc/07/31/98/1033073198.db2.gz KMAPLOQJEIBCRU-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c1O ZINC001119510545 1022823846 /nfs/dbraw/zinc/82/38/46/1022823846.db2.gz UPRJVHKAMXKJCO-LJQANCHMSA-N 1 0 356.466 2.872 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc[nH]3)cc2F)CC1 ZINC000187805991 1022942994 /nfs/dbraw/zinc/94/29/94/1022942994.db2.gz DTIAWHBXGRUBTP-SOFGYWHQSA-N 1 0 356.445 2.625 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000075860009 1023167264 /nfs/dbraw/zinc/16/72/64/1023167264.db2.gz GRUYVTPBLWEIMP-HXUWFJFHSA-N 1 0 360.546 2.517 20 10 FFCDRO COc1cc(N2CC[NH+](CCC(=O)C(C)(C)C)CC2)cc(OC)c1OC ZINC000753765910 1023377840 /nfs/dbraw/zinc/37/78/40/1023377840.db2.gz OUAQRMWZADOEIX-UHFFFAOYSA-N 1 0 364.486 2.840 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](CC(C)C)C(C)C)CC2)cc1 ZINC000754008534 1023414570 /nfs/dbraw/zinc/41/45/70/1023414570.db2.gz WEFIXBSMDZZVTO-FQEVSTJZSA-N 1 0 363.546 2.545 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+]3C4CCCC3CCC4)CC2)cc1 ZINC000754050727 1023419113 /nfs/dbraw/zinc/41/91/13/1023419113.db2.gz RCOYQHLMUXEMFM-CBNMVNINSA-N 1 0 373.541 2.585 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000754107828 1023426605 /nfs/dbraw/zinc/42/66/05/1023426605.db2.gz VVGSQPNFDIBOES-NQIIRXRSSA-N 1 0 369.509 2.529 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3nc4ccccc4[nH]3)CC2)cc1 ZINC000755367670 1023595393 /nfs/dbraw/zinc/59/53/93/1023595393.db2.gz WNIYSSLBVYTTGN-UHFFFAOYSA-N 1 0 351.454 2.806 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cc(F)ccc1O ZINC000756472241 1023715791 /nfs/dbraw/zinc/71/57/91/1023715791.db2.gz ZWHJYRABFRCXBE-CQSZACIVSA-N 1 0 358.413 2.855 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3cc(C)ccc3O)C2)nc1 ZINC000757652487 1023842750 /nfs/dbraw/zinc/84/27/50/1023842750.db2.gz AJYHKEZATKGRAS-AWEZNQCLSA-N 1 0 355.438 2.812 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1 ZINC000779443472 1023866727 /nfs/dbraw/zinc/86/67/27/1023866727.db2.gz IMINZBPLQUKDRE-UHFFFAOYSA-N 1 0 355.482 2.671 20 10 FFCDRO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000078680586 1023921470 /nfs/dbraw/zinc/92/14/70/1023921470.db2.gz XIWGXKKTVNTTGD-SCTDSRPQSA-N 1 0 360.498 2.878 20 10 FFCDRO CN(Cc1ccco1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000078680597 1023922032 /nfs/dbraw/zinc/92/20/32/1023922032.db2.gz VMBZEKWMVDTTCA-SFHVURJKSA-N 1 0 358.438 2.625 20 10 FFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000758429540 1024111072 /nfs/dbraw/zinc/11/10/72/1024111072.db2.gz IZIKMMGWSCPDLH-INIZCTEOSA-N 1 0 358.530 2.941 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC001121944887 1024192585 /nfs/dbraw/zinc/19/25/85/1024192585.db2.gz AILXEDGHTABUPX-UHFFFAOYSA-N 1 0 353.466 2.897 20 10 FFCDRO C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137855236 1033220746 /nfs/dbraw/zinc/22/07/46/1033220746.db2.gz QWIZCEVPUDEUSH-YJBOKZPZSA-N 1 0 354.450 2.667 20 10 FFCDRO C[C@@H]([NH2+]C1(CNC(=O)Cc2ccc(N)cc2)CCOCC1)c1ccccc1 ZINC000829579391 1033230163 /nfs/dbraw/zinc/23/01/63/1033230163.db2.gz JAKFKDOWFLPBJZ-QGZVFWFLSA-N 1 0 367.493 2.828 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@]4(CCN(CC5CC5)C4=O)C3)ccc21 ZINC001141141350 1025509292 /nfs/dbraw/zinc/50/92/92/1025509292.db2.gz QEHNSCYZSVDSLD-QFIPXVFZSA-N 1 0 369.509 2.740 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)c1 ZINC001141146132 1025523333 /nfs/dbraw/zinc/52/33/33/1025523333.db2.gz LUHMRTYNZBHYSU-KRWDZBQOSA-N 1 0 355.438 2.572 20 10 FFCDRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141158284 1025539093 /nfs/dbraw/zinc/53/90/93/1025539093.db2.gz XGKDHWIZIBIAGL-NRFANRHFSA-N 1 0 370.424 2.862 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001141159883 1025543225 /nfs/dbraw/zinc/54/32/25/1025543225.db2.gz MBNRLEWDXFTGAL-INIZCTEOSA-N 1 0 374.412 2.834 20 10 FFCDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141160313 1025544823 /nfs/dbraw/zinc/54/48/23/1025544823.db2.gz VKGTUTWDSVLMRF-FCHUYYIVSA-N 1 0 366.461 2.862 20 10 FFCDRO CC[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](CC)CC ZINC000837709620 1025975841 /nfs/dbraw/zinc/97/58/41/1025975841.db2.gz KSHNKWDNJDVJPX-KRWDZBQOSA-N 1 0 369.456 2.538 20 10 FFCDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000837882049 1026083320 /nfs/dbraw/zinc/08/33/20/1026083320.db2.gz IKYIAOSSCAMNRX-MSOLQXFVSA-N 1 0 374.529 2.710 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]3C3CC3)cc2F)CC1 ZINC000838337782 1026321407 /nfs/dbraw/zinc/32/14/07/1026321407.db2.gz NMAHGHRUOJRXBX-SFHVURJKSA-N 1 0 360.477 2.662 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@H]2CCc3ccccc3C2)cc1 ZINC000839492117 1026699355 /nfs/dbraw/zinc/69/93/55/1026699355.db2.gz BDNJZCPKKDABNK-NRFANRHFSA-N 1 0 351.494 2.858 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CN4CCOC4=O)C3)c2c1 ZINC000840094064 1026953958 /nfs/dbraw/zinc/95/39/58/1026953958.db2.gz FLGACMIDGDCNCD-AWEZNQCLSA-N 1 0 356.422 2.828 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)cc1 ZINC000840779631 1027244959 /nfs/dbraw/zinc/24/49/59/1027244959.db2.gz AYEIFTZPTCUECD-SFHVURJKSA-N 1 0 361.530 2.675 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)cc1 ZINC000840779628 1027245628 /nfs/dbraw/zinc/24/56/28/1027245628.db2.gz AYEIFTZPTCUECD-GOSISDBHSA-N 1 0 361.530 2.675 20 10 FFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092707666 1027409709 /nfs/dbraw/zinc/40/97/09/1027409709.db2.gz BXHSDOSDOJNJSD-IBGZPJMESA-N 1 0 359.514 2.652 20 10 FFCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000795725869 1028016910 /nfs/dbraw/zinc/01/69/10/1028016910.db2.gz LHZQTMXJFGCIGF-QAPCUYQASA-N 1 0 371.433 2.870 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2C)cc1C ZINC001104019680 1028481430 /nfs/dbraw/zinc/48/14/30/1028481430.db2.gz JVTRUMWQMGPBDQ-SJLPKXTDSA-N 1 0 371.481 2.809 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2C)cc1C ZINC001104071045 1028538851 /nfs/dbraw/zinc/53/88/51/1028538851.db2.gz HKHCERCMQXZTJW-SJLPKXTDSA-N 1 0 370.497 2.625 20 10 FFCDRO Nc1nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ccc1[N+](=O)[O-] ZINC001155640626 1028831437 /nfs/dbraw/zinc/83/14/37/1028831437.db2.gz JLIFDGFXEDYAQE-WFXMFSGNSA-N 1 0 369.469 2.971 20 10 FFCDRO Oc1cc2c(cc1O)CN(c1cccc(OCC[NH+]3CCCC3)n1)CCC2 ZINC001155944247 1028986321 /nfs/dbraw/zinc/98/63/21/1028986321.db2.gz AHLFXZZYRJNOSN-UHFFFAOYSA-N 1 0 369.465 2.920 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc(C)c3C)CC2)cc1 ZINC001156260479 1029116965 /nfs/dbraw/zinc/11/69/65/1029116965.db2.gz DAMVUOAWMVGWTO-UHFFFAOYSA-N 1 0 355.486 2.726 20 10 FFCDRO CCOc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1Cl ZINC001164008952 1029143241 /nfs/dbraw/zinc/14/32/41/1029143241.db2.gz QMQLQUPQAHFNBI-UHFFFAOYSA-N 1 0 361.877 2.893 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc4[nH]ccc4n3)CC2)cc1 ZINC001164328149 1029246759 /nfs/dbraw/zinc/24/67/59/1029246759.db2.gz RKEIOVZYCRLHKL-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO C=Cc1cnc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC001164330575 1029247377 /nfs/dbraw/zinc/24/73/77/1029247377.db2.gz ZLXNHXLQGPYZSJ-UHFFFAOYSA-N 1 0 353.470 2.752 20 10 FFCDRO CCN(CC)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC001156656937 1029291883 /nfs/dbraw/zinc/29/18/83/1029291883.db2.gz CTRXHZVZMLELFT-UHFFFAOYSA-N 1 0 354.502 2.687 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001157431929 1029585155 /nfs/dbraw/zinc/58/51/55/1029585155.db2.gz BITOIPRRUGUHAY-XJKSGUPXSA-N 1 0 352.425 2.993 20 10 FFCDRO COC[C@@]1(CNCc2ccc(OCc3ccccc3)cc2O)CCC[NH2+]1 ZINC000841067934 1030012735 /nfs/dbraw/zinc/01/27/35/1030012735.db2.gz QUAQLOGAQORFKZ-NRFANRHFSA-N 1 0 356.466 2.829 20 10 FFCDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1)CC1CC1 ZINC000841081515 1030023805 /nfs/dbraw/zinc/02/38/05/1030023805.db2.gz WEBSDLAGSCYFKV-UHFFFAOYSA-N 1 0 372.513 2.568 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000783537258 1030143444 /nfs/dbraw/zinc/14/34/44/1030143444.db2.gz WCZNYCNSYHVCAG-RBUKOAKNSA-N 1 0 369.513 2.718 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC000841760432 1030448010 /nfs/dbraw/zinc/44/80/10/1030448010.db2.gz VONMUNVYGKJLCA-UXHICEINSA-N 1 0 370.541 2.990 20 10 FFCDRO CN(c1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1)C1CCCCC1 ZINC000841760181 1030448608 /nfs/dbraw/zinc/44/86/08/1030448608.db2.gz RMNRJFMHAKFVTD-FQEVSTJZSA-N 1 0 374.529 2.715 20 10 FFCDRO C[NH+](C)CCCOc1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841787221 1030467215 /nfs/dbraw/zinc/46/72/15/1030467215.db2.gz CDWPISRVNLZKMX-UHFFFAOYSA-N 1 0 370.497 2.641 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000841851366 1030501781 /nfs/dbraw/zinc/50/17/81/1030501781.db2.gz PKHZIRRXWZMTGF-MRXNPFEDSA-N 1 0 370.522 2.778 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@H](C)CN1CCO ZINC000841891620 1030523216 /nfs/dbraw/zinc/52/32/16/1030523216.db2.gz MXPUVKHJVADBFB-QZTJIDSGSA-N 1 0 370.493 2.858 20 10 FFCDRO [NH3+][C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000841950176 1030558863 /nfs/dbraw/zinc/55/88/63/1030558863.db2.gz QWPZLGJJGBDLDO-OALUTQOASA-N 1 0 369.465 2.783 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000841997696 1030572093 /nfs/dbraw/zinc/57/20/93/1030572093.db2.gz OSNMCWZFYJOPNT-UGSOOPFHSA-N 1 0 355.438 2.648 20 10 FFCDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000842002449 1030576292 /nfs/dbraw/zinc/57/62/92/1030576292.db2.gz KWJXEJPNDAGMOB-INIZCTEOSA-N 1 0 365.380 2.694 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC001203390483 1030685350 /nfs/dbraw/zinc/68/53/50/1030685350.db2.gz YAKTYDRJUNWEJF-UHFFFAOYSA-N 1 0 368.886 2.594 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccccc3O)CC2)N1Cc1ccncc1 ZINC001203552104 1030761001 /nfs/dbraw/zinc/76/10/01/1030761001.db2.gz APDAEXQRJJVTDL-UHFFFAOYSA-N 1 0 351.450 2.944 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001203552392 1030763511 /nfs/dbraw/zinc/76/35/11/1030763511.db2.gz MFGMZDVIVGIBLG-IRFCIJBXSA-N 1 0 354.450 2.983 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c1O ZINC001203589527 1030772549 /nfs/dbraw/zinc/77/25/49/1030772549.db2.gz KAOBDMLNELOCRW-WMZOPIPTSA-N 1 0 370.424 2.630 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596880 1030779433 /nfs/dbraw/zinc/77/94/33/1030779433.db2.gz RHSNUKJICDSOGC-UHFFFAOYSA-N 1 0 356.422 2.510 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1O ZINC001203601723 1030779919 /nfs/dbraw/zinc/77/99/19/1030779919.db2.gz IJMWBWJRVSUIIX-OAHLLOKOSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001203622882 1030791948 /nfs/dbraw/zinc/79/19/48/1030791948.db2.gz DLQHGDUTZDCSJJ-RXVVDRJESA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c(O)c1 ZINC001203623459 1030792575 /nfs/dbraw/zinc/79/25/75/1030792575.db2.gz RLDBHHLRCPYOTA-LJQANCHMSA-N 1 0 366.461 2.897 20 10 FFCDRO COCCOc1cccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)c1 ZINC001203634356 1030797579 /nfs/dbraw/zinc/79/75/79/1030797579.db2.gz AUIKQQPXLNUQMP-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO O=C(N[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1)C1CC1 ZINC001203650645 1030803628 /nfs/dbraw/zinc/80/36/28/1030803628.db2.gz ZUDIEXAMHUBJJO-CQSZACIVSA-N 1 0 353.260 2.645 20 10 FFCDRO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC001203657398 1030808267 /nfs/dbraw/zinc/80/82/67/1030808267.db2.gz DJMXANSISMWSGG-IYBDPMFKSA-N 1 0 357.841 2.645 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001203672763 1030818124 /nfs/dbraw/zinc/81/81/24/1030818124.db2.gz DKFLVTVDUBZUFJ-WMLDXEAASA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001203673412 1030822216 /nfs/dbraw/zinc/82/22/16/1030822216.db2.gz YCBRRFANTDMXIH-FXAWDEMLSA-N 1 0 372.440 2.877 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 ZINC001203681068 1030824064 /nfs/dbraw/zinc/82/40/64/1030824064.db2.gz NWDDCUSQDRNIRS-QGZVFWFLSA-N 1 0 358.413 2.934 20 10 FFCDRO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000842632867 1030859352 /nfs/dbraw/zinc/85/93/52/1030859352.db2.gz LZLRINKCBIZZOT-INIZCTEOSA-N 1 0 363.454 2.762 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842720891 1030923864 /nfs/dbraw/zinc/92/38/64/1030923864.db2.gz AYCFBLPZPBEQRB-GOSISDBHSA-N 1 0 374.506 2.857 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723469 1030925804 /nfs/dbraw/zinc/92/58/04/1030925804.db2.gz DSEDIZPFWPPDOC-OOFWQKGWSA-N 1 0 372.490 2.590 20 10 FFCDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203877909 1030953681 /nfs/dbraw/zinc/95/36/81/1030953681.db2.gz ZIGKZFFEQUHLED-SFHVURJKSA-N 1 0 366.461 2.936 20 10 FFCDRO Cc1cccc2nc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)cn21 ZINC000842782839 1030956863 /nfs/dbraw/zinc/95/68/63/1030956863.db2.gz YEVKVVGLPZWLLK-UHFFFAOYSA-N 1 0 350.466 2.812 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)cc1 ZINC001203933300 1030993483 /nfs/dbraw/zinc/99/34/83/1030993483.db2.gz LACZIUIKLNDFIL-OAQYLSRUSA-N 1 0 365.481 2.562 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)cc1 ZINC001203933518 1030993523 /nfs/dbraw/zinc/99/35/23/1030993523.db2.gz OGWVBFYCZYRZLT-FQEVSTJZSA-N 1 0 364.493 2.786 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001204273457 1031198435 /nfs/dbraw/zinc/19/84/35/1031198435.db2.gz BXGARMXDHSCKEK-DKSSEZFCSA-N 1 0 356.422 2.551 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c(O)c1 ZINC001204273698 1031199463 /nfs/dbraw/zinc/19/94/63/1031199463.db2.gz FVXNUHPPSRNCRW-FBBABVLZSA-N 1 0 370.449 2.689 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204327428 1031229370 /nfs/dbraw/zinc/22/93/70/1031229370.db2.gz SYPHZVVWSKBOAK-UHFFFAOYSA-N 1 0 371.525 2.890 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@@H]1C ZINC001204339247 1031234266 /nfs/dbraw/zinc/23/42/66/1031234266.db2.gz CNHGSUFBWCGWCN-MFKMUULPSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1O ZINC001204335921 1031235420 /nfs/dbraw/zinc/23/54/20/1031235420.db2.gz DBPRKPPFULGWNK-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC001204340091 1031236252 /nfs/dbraw/zinc/23/62/52/1031236252.db2.gz BRABTGPYFJBWKP-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(O)c1 ZINC000798104466 1031308028 /nfs/dbraw/zinc/30/80/28/1031308028.db2.gz DSWYLFIZUCUJKP-QGZVFWFLSA-N 1 0 361.486 2.997 20 10 FFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184356 1031330209 /nfs/dbraw/zinc/33/02/09/1031330209.db2.gz UAYNTHSNCOEHEZ-STQMWFEESA-N 1 0 373.419 2.649 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000843350849 1031342621 /nfs/dbraw/zinc/34/26/21/1031342621.db2.gz WYDVLOKDSNXKNG-IBGZPJMESA-N 1 0 366.421 2.612 20 10 FFCDRO COc1cccc(CNC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349578 1031343516 /nfs/dbraw/zinc/34/35/16/1031343516.db2.gz DYSVNTLCNWGZNT-HNNXBMFYSA-N 1 0 353.466 2.611 20 10 FFCDRO COc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c(OC)c1 ZINC000843350494 1031345304 /nfs/dbraw/zinc/34/53/04/1031345304.db2.gz SRWNKFHNJWSFEJ-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO Cn1c(Cl)cnc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000799340557 1031741675 /nfs/dbraw/zinc/74/16/75/1031741675.db2.gz GTJUJKNVTLONKY-UHFFFAOYSA-N 1 0 373.932 2.895 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)cc1F ZINC000084963970 1031784638 /nfs/dbraw/zinc/78/46/38/1031784638.db2.gz NSSIMDFKCITEIB-LJQANCHMSA-N 1 0 374.456 2.534 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3CC[NH2+]C[C@@H]3F)cc2)cc1 ZINC001219492913 1033667993 /nfs/dbraw/zinc/66/79/93/1033667993.db2.gz GDJHXNJICOBAKO-IRXDYDNUSA-N 1 0 371.416 2.799 20 10 FFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967151 1033863539 /nfs/dbraw/zinc/86/35/39/1033863539.db2.gz FDHPECKRDABGTP-HZPDHXFCSA-N 1 0 370.852 2.787 20 10 FFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220830 1033972001 /nfs/dbraw/zinc/97/20/01/1033972001.db2.gz OZUNUGXLGZETJG-FQEVSTJZSA-N 1 0 359.514 2.794 20 10 FFCDRO COc1ccc(N(CC(=O)NC2CC[NH+](C(C)C)CC2)CC2CC2)cc1 ZINC000831587824 1034139075 /nfs/dbraw/zinc/13/90/75/1034139075.db2.gz MJOAEKRXLYIDQR-UHFFFAOYSA-N 1 0 359.514 2.901 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc2c3c1CCCN3CCC2 ZINC001138341658 1034172548 /nfs/dbraw/zinc/17/25/48/1034172548.db2.gz SKXOLTYSFFLPOK-QGZVFWFLSA-N 1 0 366.465 2.534 20 10 FFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138341137 1034172921 /nfs/dbraw/zinc/17/29/21/1034172921.db2.gz IGTVSDYTGHQMMY-IBGZPJMESA-N 1 0 373.541 2.634 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1O ZINC001277027039 1034174779 /nfs/dbraw/zinc/17/47/79/1034174779.db2.gz XWGAYIWJAMRIBV-FQEVSTJZSA-N 1 0 364.461 2.547 20 10 FFCDRO CN1CCCc2cc(CN3CC[N@H+](Cc4ccccc4)[C@H](CO)C3)ccc21 ZINC001138354974 1034191311 /nfs/dbraw/zinc/19/13/11/1034191311.db2.gz XEULWNQALSAOSO-QFIPXVFZSA-N 1 0 365.521 2.748 20 10 FFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OCC(N)=O)c(OC)c1 ZINC001138598742 1034450999 /nfs/dbraw/zinc/45/09/99/1034450999.db2.gz DSFJFNFXBZEEDN-UHFFFAOYSA-N 1 0 371.481 2.647 20 10 FFCDRO O[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676574 1034537523 /nfs/dbraw/zinc/53/75/23/1034537523.db2.gz NYKIKONKJUOIPQ-HNNXBMFYSA-N 1 0 369.303 2.633 20 10 FFCDRO COc1ccccc1C(C)(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267115 1034688217 /nfs/dbraw/zinc/68/82/17/1034688217.db2.gz NINQJGODUVQKGU-GOSISDBHSA-N 1 0 355.482 2.855 20 10 FFCDRO CCCn1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C1CC1 ZINC000832266867 1034688237 /nfs/dbraw/zinc/68/82/37/1034688237.db2.gz KEHSRHYJIJMOQX-GOSISDBHSA-N 1 0 355.486 2.666 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226468925 1034698937 /nfs/dbraw/zinc/69/89/37/1034698937.db2.gz QEXRXVNZBVJBAO-YPMHNXCESA-N 1 0 361.394 2.504 20 10 FFCDRO CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832280765 1034699272 /nfs/dbraw/zinc/69/92/72/1034699272.db2.gz QTDZOUWHPHVGMC-YWZLYKJASA-N 1 0 369.465 2.539 20 10 FFCDRO Cc1cc2c(cc1C)[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CO2 ZINC000832284212 1034700628 /nfs/dbraw/zinc/70/06/28/1034700628.db2.gz IIBJCXWLWULPLE-OALUTQOASA-N 1 0 353.466 2.662 20 10 FFCDRO COc1ccccc1/C(C)=C/C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283718 1034700777 /nfs/dbraw/zinc/70/07/77/1034700777.db2.gz ANGJWLQNZKUJHN-OCKXMSAZSA-N 1 0 353.466 2.981 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000832284885 1034702728 /nfs/dbraw/zinc/70/27/28/1034702728.db2.gz NTDWYBPHJHTXIG-RBUKOAKNSA-N 1 0 351.450 2.629 20 10 FFCDRO COc1cccc2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000832300253 1034713633 /nfs/dbraw/zinc/71/36/33/1034713633.db2.gz PYJRDSAMSXQNHH-MRXNPFEDSA-N 1 0 353.422 2.937 20 10 FFCDRO C[N@H+](Cc1ccc(OCC(N)=O)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001138870656 1034763878 /nfs/dbraw/zinc/76/38/78/1034763878.db2.gz VHJUFBFGBILAFI-UHFFFAOYSA-N 1 0 353.466 2.783 20 10 FFCDRO Cc1cc(C[N@H+](CCN2CCOCC2)Cc2ccco2)ccc1N(C)C ZINC000832672209 1034904962 /nfs/dbraw/zinc/90/49/62/1034904962.db2.gz JACORRYVEGTYAH-UHFFFAOYSA-N 1 0 357.498 2.988 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c(O)cc1Br ZINC001277191971 1034981038 /nfs/dbraw/zinc/98/10/38/1034981038.db2.gz UGZVUFDLMVKICR-MRXNPFEDSA-N 1 0 353.260 2.517 20 10 FFCDRO COc1ccnc(OC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC001139673514 1035193907 /nfs/dbraw/zinc/19/39/07/1035193907.db2.gz DGRIHEHWGBMNNL-UHFFFAOYSA-N 1 0 356.470 2.903 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140054835 1035324073 /nfs/dbraw/zinc/32/40/73/1035324073.db2.gz XXPPTIOEHFSWPA-OAQYLSRUSA-N 1 0 369.440 2.941 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)c1O ZINC001140180851 1035370513 /nfs/dbraw/zinc/37/05/13/1035370513.db2.gz MRZOWTCCGDCJHN-QRVBRYPASA-N 1 0 374.481 2.685 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1c(C)ccc(C)c1O ZINC001140185385 1035372044 /nfs/dbraw/zinc/37/20/44/1035372044.db2.gz ULVOHMLXQWKFEV-UHFFFAOYSA-N 1 0 351.443 2.717 20 10 FFCDRO O=c1c2ccccc2nnn1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342242 1035444922 /nfs/dbraw/zinc/44/49/22/1035444922.db2.gz ZROKPNOGHFUGNS-UHFFFAOYSA-N 1 0 370.840 2.988 20 10 FFCDRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465735 1035485509 /nfs/dbraw/zinc/48/55/09/1035485509.db2.gz SKFJRVWDACHMPE-LJQANCHMSA-N 1 0 372.856 2.855 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835029577 1035490125 /nfs/dbraw/zinc/49/01/25/1035490125.db2.gz XSEJHFVNVWOSMD-IIMPKJCBSA-N 1 0 359.514 2.629 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1O ZINC000835054129 1035494241 /nfs/dbraw/zinc/49/42/41/1035494241.db2.gz RERLFFWEPPSBEZ-PHWHVTFISA-N 1 0 370.493 2.921 20 10 FFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232204311 1035498585 /nfs/dbraw/zinc/49/85/85/1035498585.db2.gz KKXJAIYKMQJYBJ-SFHVURJKSA-N 1 0 352.862 2.562 20 10 FFCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000835078693 1035517961 /nfs/dbraw/zinc/51/79/61/1035517961.db2.gz WVKNSLCXKYCGSZ-UHFFFAOYSA-N 1 0 367.465 2.619 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cnoc2)c(O)c1 ZINC001277204143 1035523050 /nfs/dbraw/zinc/52/30/50/1035523050.db2.gz DBZPZUBJZBQAAZ-QZTJIDSGSA-N 1 0 355.438 2.763 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001277204732 1035527826 /nfs/dbraw/zinc/52/78/26/1035527826.db2.gz VMZKNORWQSOHDM-LAUBAEHRSA-N 1 0 360.498 2.858 20 10 FFCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263852 1035535855 /nfs/dbraw/zinc/53/58/55/1035535855.db2.gz DSXVFYOPZSOTCZ-GFCCVEGCSA-N 1 0 350.802 2.808 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)cc1Cl ZINC001232263620 1035536310 /nfs/dbraw/zinc/53/63/10/1035536310.db2.gz BSBINGCTRWMYIC-UHFFFAOYSA-N 1 0 353.781 2.724 20 10 FFCDRO C[N+](C)(C)C[C@H](O)CC(=O)OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227489210 1035578854 /nfs/dbraw/zinc/57/88/54/1035578854.db2.gz LCHHMCYSZNZGSX-CQSZACIVSA-O 1 0 359.406 2.565 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C)c2ccccc2n1C ZINC001232406094 1035654285 /nfs/dbraw/zinc/65/42/85/1035654285.db2.gz UFZLICZBCAKQJZ-UONOGXRCSA-N 1 0 358.438 2.738 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCC[C@@H](C(=O)OC)[C@H]2C)c2ccccc2n1C ZINC001232404464 1035654306 /nfs/dbraw/zinc/65/43/06/1035654306.db2.gz UFZLICZBCAKQJZ-ZIAGYGMSSA-N 1 0 358.438 2.738 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)c1 ZINC001140621634 1035748838 /nfs/dbraw/zinc/74/88/38/1035748838.db2.gz NJHLZLOGENIGNQ-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1cc(C)ccc1O ZINC001140622242 1035749165 /nfs/dbraw/zinc/74/91/65/1035749165.db2.gz ZEGDFAYREIGTTQ-SFHVURJKSA-N 1 0 356.470 2.714 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncc(Br)cn3)C2)c1 ZINC001140621015 1035749396 /nfs/dbraw/zinc/74/93/96/1035749396.db2.gz LYFHUUBOIIFWAX-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660134 1035811857 /nfs/dbraw/zinc/81/18/57/1035811857.db2.gz HDUWOKUTWTZAMK-MRXNPFEDSA-N 1 0 364.461 2.828 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1O ZINC001140750982 1036057894 /nfs/dbraw/zinc/05/78/94/1036057894.db2.gz FVYUZPYMNDLPDB-CYBMUJFWSA-N 1 0 352.232 2.812 20 10 FFCDRO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(N(C)C)cc4O)C[C@H]3O2)n1 ZINC001232838381 1036093829 /nfs/dbraw/zinc/09/38/29/1036093829.db2.gz JMBNDWIKZBKVLN-MORSLUCNSA-N 1 0 358.442 2.502 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c(O)c1 ZINC001232841345 1036097765 /nfs/dbraw/zinc/09/77/65/1036097765.db2.gz DFSNAUQOZZTMLD-UHFFFAOYSA-N 1 0 371.456 2.992 20 10 FFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2O)[C@@H]1CO ZINC001232973897 1036201121 /nfs/dbraw/zinc/20/11/21/1036201121.db2.gz DKXUAQPHBLCDKS-ZWNOBZJWSA-N 1 0 361.223 2.590 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]12CCN(CC1CCOCC1)C2=O ZINC001277316298 1036196636 /nfs/dbraw/zinc/19/66/36/1036196636.db2.gz SGSLNLNVDKLQQN-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CCCC2(COC2)C1 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COc1cc(C)c(CN2CCn3c(C[N@H+](C)C(C)C)cnc3C2)c(O)c1 ZINC001236812182 1038286785 /nfs/dbraw/zinc/28/67/85/1038286785.db2.gz XFQHVBWIOABXEZ-UHFFFAOYSA-N 1 0 358.486 2.762 20 10 FFCDRO O[C@@]1(CF)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236921401 1038356501 /nfs/dbraw/zinc/35/65/01/1038356501.db2.gz FUITVPOQPAUIBP-SFHVURJKSA-N 1 0 356.869 2.863 20 10 FFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001236928550 1038359416 /nfs/dbraw/zinc/35/94/16/1038359416.db2.gz XVFWWXFULWYMOO-KRWDZBQOSA-N 1 0 361.877 2.605 20 10 FFCDRO CCOC(=O)c1c(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c2ccccc2n1C ZINC001236983644 1038398218 /nfs/dbraw/zinc/39/82/18/1038398218.db2.gz VXJYCRJYHNOLMJ-OAHLLOKOSA-N 1 0 369.387 2.691 20 10 FFCDRO CCOc1ccc(C[N@H+]2CC[C@H](OCC)[C@@H]2Cc2cnn(C)c2)c(O)c1 ZINC001237039747 1038416282 /nfs/dbraw/zinc/41/62/82/1038416282.db2.gz BHKMLGFOBYWJQE-ICSRJNTNSA-N 1 0 359.470 2.747 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237070471 1038435590 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10 FFCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)CC1 ZINC001256790526 1038621427 /nfs/dbraw/zinc/62/14/27/1038621427.db2.gz TYQJFARTCKHOJY-UHFFFAOYSA-N 1 0 365.886 2.893 20 10 FFCDRO COc1ccc(NC[C@@]2(O)CC[NH2+]C2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001245964193 1039167474 /nfs/dbraw/zinc/16/74/74/1039167474.db2.gz QOGCVXFFWAUCBZ-LJQANCHMSA-N 1 0 360.841 2.716 20 10 FFCDRO CCC(CC)(CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC001251547048 1039173722 /nfs/dbraw/zinc/17/37/22/1039173722.db2.gz AZDBXILZTCJPRE-SFHVURJKSA-N 1 0 364.534 2.860 20 10 FFCDRO O=C(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001258135366 1039213584 /nfs/dbraw/zinc/21/35/84/1039213584.db2.gz CWQIWOHLQDMFDI-UHFFFAOYSA-N 1 0 354.450 2.577 20 10 FFCDRO CN(OCc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001246305698 1039308286 /nfs/dbraw/zinc/30/82/86/1039308286.db2.gz YVSBFPXZZUYKFO-UHFFFAOYSA-N 1 0 368.481 2.712 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3cnoc3)CC2)c1O ZINC001276683891 1039542319 /nfs/dbraw/zinc/54/23/19/1039542319.db2.gz RLXLNEPAWLUOEN-QGZVFWFLSA-N 1 0 355.438 2.607 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001278688046 1039813924 /nfs/dbraw/zinc/81/39/24/1039813924.db2.gz SKRYKDAOCNMALY-LJQANCHMSA-N 1 0 353.457 2.520 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC001247901055 1040032845 /nfs/dbraw/zinc/03/28/45/1040032845.db2.gz ZZNMKFZKMDORPA-LAUBAEHRSA-N 1 0 364.449 2.923 20 10 FFCDRO CC1(C)C=Cc2c(O)c(CN3CCO[C@@H](C[NH+]4CCCC4)C3)ccc2O1 ZINC001249259098 1040654200 /nfs/dbraw/zinc/65/42/00/1040654200.db2.gz RPZCYUAXLRKJCY-KRWDZBQOSA-N 1 0 358.482 2.873 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC001254380123 1040690416 /nfs/dbraw/zinc/69/04/16/1040690416.db2.gz JWJDEHHANIUZMN-PZJWPPBQSA-N 1 0 360.498 2.793 20 10 FFCDRO Cc1cc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)ccc1F ZINC001260759287 1040772740 /nfs/dbraw/zinc/77/27/40/1040772740.db2.gz RLSPMFRURKLHHE-UHFFFAOYSA-N 1 0 363.458 2.687 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCC(OC)CC2)c(O)c1 ZINC001249726271 1040964120 /nfs/dbraw/zinc/96/41/20/1040964120.db2.gz ZLJGXUMMNUWNDN-UHFFFAOYSA-N 1 0 351.443 2.725 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)Cc2ccncn2)c(O)c1 ZINC001249743707 1040973419 /nfs/dbraw/zinc/97/34/19/1040973419.db2.gz NTFOCOFWECUWBB-UHFFFAOYSA-N 1 0 359.426 2.536 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)c1 ZINC001249737531 1040974087 /nfs/dbraw/zinc/97/40/87/1040974087.db2.gz KBKZGLDTAAVQON-INIZCTEOSA-N 1 0 365.470 2.709 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C)c(Br)cc2O)CC1 ZINC001250133523 1041124688 /nfs/dbraw/zinc/12/46/88/1041124688.db2.gz NBYKKMGYYVZDQV-UHFFFAOYSA-N 1 0 355.276 2.906 20 10 FFCDRO COCCC[NH+]1CCN(Cc2cc(C)c(Br)cc2O)CC1 ZINC001250128693 1041124795 /nfs/dbraw/zinc/12/47/95/1041124795.db2.gz JFKGIJTYTUNDAD-UHFFFAOYSA-N 1 0 357.292 2.617 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCN(C(=O)NC(C)C)C3)CC2)c1 ZINC001278570337 1041214079 /nfs/dbraw/zinc/21/40/79/1041214079.db2.gz CDAOFLIKTQGLJK-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)c1 ZINC001278571144 1041217509 /nfs/dbraw/zinc/21/75/09/1041217509.db2.gz PCYJUGWSXJKIHH-HXUWFJFHSA-N 1 0 356.470 2.612 20 10 FFCDRO CC(C)(C)OC(=O)NCC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000404862728 1042146337 /nfs/dbraw/zinc/14/63/37/1042146337.db2.gz XLPUMQIFYAULON-UHFFFAOYSA-N 1 0 364.442 2.906 20 10 FFCDRO CC(C)NC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001279142023 1042916357 /nfs/dbraw/zinc/91/63/57/1042916357.db2.gz MLHYMARWQHSDNB-FQEVSTJZSA-N 1 0 361.486 2.894 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)cc1 ZINC001279150166 1042920423 /nfs/dbraw/zinc/92/04/23/1042920423.db2.gz UAPATEQARXQRQJ-UHFFFAOYSA-N 1 0 370.419 2.532 20 10 FFCDRO c1n[nH]cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001279229754 1042956316 /nfs/dbraw/zinc/95/63/16/1042956316.db2.gz BBAGYCUHVRFEOH-OYRHEFFESA-N 1 0 351.498 2.859 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC001279294546 1042988058 /nfs/dbraw/zinc/98/80/58/1042988058.db2.gz UZGMTLSUNIVBEK-UHFFFAOYSA-N 1 0 356.466 2.674 20 10 FFCDRO COC1(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])cccc2F)CCC1 ZINC001279421257 1043094059 /nfs/dbraw/zinc/09/40/59/1043094059.db2.gz DCTOAMNYCFPAOV-IRXDYDNUSA-N 1 0 362.445 2.666 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(C)cc1O ZINC001279432263 1043106383 /nfs/dbraw/zinc/10/63/83/1043106383.db2.gz CPUIRMRUQBZJEO-IYBDPMFKSA-N 1 0 354.878 2.623 20 10 FFCDRO COc1cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)cc1Br ZINC001237409405 1043146161 /nfs/dbraw/zinc/14/61/61/1043146161.db2.gz AMLHLIIMELFJOH-FZMZJTMJSA-N 1 0 355.276 2.737 20 10 FFCDRO COC[C@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237487817 1043201555 /nfs/dbraw/zinc/20/15/55/1043201555.db2.gz DUGLFJXJCUVBQX-IBGZPJMESA-N 1 0 372.509 2.798 20 10 FFCDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c(OC)c1 ZINC001237678146 1043304559 /nfs/dbraw/zinc/30/45/59/1043304559.db2.gz VEFZRGWYGWBUMQ-IRXDYDNUSA-N 1 0 352.450 2.808 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237679888 1043307971 /nfs/dbraw/zinc/30/79/71/1043307971.db2.gz VXIXYYAGMWQEPG-UHFFFAOYSA-N 1 0 355.276 2.954 20 10 FFCDRO CCN1C[C@H]2CC[N@H+](Cc3cc(Cl)cc(C)c3O)CC[C@H]2S1(=O)=O ZINC001237683683 1043309556 /nfs/dbraw/zinc/30/95/56/1043309556.db2.gz HULZRGLYOUOHDK-CZUORRHYSA-N 1 0 372.918 2.600 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Br)c(C)cc2O)CC12CC2 ZINC001237686751 1043313411 /nfs/dbraw/zinc/31/34/11/1043313411.db2.gz XNCSSCHFEPLXIC-GFCCVEGCSA-N 1 0 354.244 2.848 20 10 FFCDRO Oc1c(I)cccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001237776622 1043349822 /nfs/dbraw/zinc/34/98/22/1043349822.db2.gz BOIUAJAWGZRHOE-ZDUSSCGKSA-N 1 0 372.250 2.667 20 10 FFCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665790 1043430421 /nfs/dbraw/zinc/43/04/21/1043430421.db2.gz XJKXLBQHEAGXCK-HOTGVXAUSA-N 1 0 358.313 2.909 20 10 FFCDRO CC(C)c1ccc(CN2CC3(C2)CC[N@H+](CCn2ccnc2)C3)c(O)c1 ZINC001279674145 1043445150 /nfs/dbraw/zinc/44/51/50/1043445150.db2.gz REIBBXXVWAPTIL-UHFFFAOYSA-N 1 0 354.498 2.920 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1cc(F)cc(C)c1O ZINC001238066697 1043513204 /nfs/dbraw/zinc/51/32/04/1043513204.db2.gz JBMNQPCBEMYWJV-UHFFFAOYSA-N 1 0 355.406 2.548 20 10 FFCDRO COc1ccc(N2CCN(Cc3cccc4c[nH+]cn43)CC2)c(OC)c1 ZINC001238117630 1043548490 /nfs/dbraw/zinc/54/84/90/1043548490.db2.gz ZYJGAFJULPOUHC-UHFFFAOYSA-N 1 0 352.438 2.674 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]CC3(CC(=O)[O-])CCCCC3)cc2)CC1 ZINC000756303518 1043576902 /nfs/dbraw/zinc/57/69/02/1043576902.db2.gz WJHMZFGSQBHZDQ-UHFFFAOYSA-N 1 0 359.514 2.953 20 10 FFCDRO COCCOC[N@@H+]1CCC2(C1)CCN(c1ccc(OC)cc1OC)CC2 ZINC001279759091 1043597166 /nfs/dbraw/zinc/59/71/66/1043597166.db2.gz OKWLRUGDVKKDEW-UHFFFAOYSA-N 1 0 364.486 2.617 20 10 FFCDRO COc1ccc(N2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(OC)c1 ZINC001279759486 1043599091 /nfs/dbraw/zinc/59/90/91/1043599091.db2.gz SYLSQQWUUZESOH-UHFFFAOYSA-N 1 0 356.470 2.919 20 10 FFCDRO Cc1cccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[O-])c1C ZINC000756382192 1043599831 /nfs/dbraw/zinc/59/98/31/1043599831.db2.gz JIZGBVDWSDCWRH-NRFANRHFSA-N 1 0 367.493 2.971 20 10 FFCDRO O=C(NCC(F)F)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001279846462 1043766440 /nfs/dbraw/zinc/76/64/40/1043766440.db2.gz SADASIDICARLSG-CYBMUJFWSA-N 1 0 368.424 2.861 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([N@H+](C)CC)C2)cc1F ZINC001311935780 1044005193 /nfs/dbraw/zinc/00/51/93/1044005193.db2.gz QYKQVRBOFIUKKA-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279981468 1044029117 /nfs/dbraw/zinc/02/91/17/1044029117.db2.gz AMRLWJXIRBXTKP-CWTRNNRKSA-N 1 0 374.824 2.917 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)c1O ZINC001279981427 1044029633 /nfs/dbraw/zinc/02/96/33/1044029633.db2.gz LIHSXGWAQLHLAN-FCLUMBPUSA-N 1 0 368.424 2.677 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cc(Cl)ccc2O)C3)C[C@@H](C)O1 ZINC001279983155 1044034817 /nfs/dbraw/zinc/03/48/17/1044034817.db2.gz FEOJQPILEOOKOZ-IOASZLSFSA-N 1 0 364.873 2.503 20 10 FFCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1O ZINC001312082898 1044036629 /nfs/dbraw/zinc/03/66/29/1044036629.db2.gz IUZMQZOEQGYNNQ-OAHLLOKOSA-N 1 0 353.466 2.852 20 10 FFCDRO CC[NH+](CC)CCn1cc(-c2ncc(C(=O)OC)c3c2ccn3C)cn1 ZINC001239195354 1044067536 /nfs/dbraw/zinc/06/75/36/1044067536.db2.gz PKJIBDSJSYTAPD-UHFFFAOYSA-N 1 0 355.442 2.565 20 10 FFCDRO Cc1ccccc1CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001312218136 1044070837 /nfs/dbraw/zinc/07/08/37/1044070837.db2.gz DRENSVSBLGKKJD-UHFFFAOYSA-N 1 0 366.509 2.789 20 10 FFCDRO CCn1ccnc1CN1CCC2(C[NH+](Cc3cc(F)cc(C)c3O)C2)C1 ZINC001280028456 1044104183 /nfs/dbraw/zinc/10/41/83/1044104183.db2.gz UDKXXYAIZUYFCB-UHFFFAOYSA-N 1 0 358.461 2.764 20 10 FFCDRO CCO[C@@H]1CCC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001312853351 1044183130 /nfs/dbraw/zinc/18/31/30/1044183130.db2.gz QAYVMRZOZVCVGU-GUDVDZBRSA-N 1 0 362.518 2.612 20 10 FFCDRO COC[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001313335269 1044320232 /nfs/dbraw/zinc/32/02/32/1044320232.db2.gz LZLXVBGMQHYJIK-HKUYNNGSSA-N 1 0 364.534 2.573 20 10 FFCDRO CC[C@@H]1CO[C@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313409302 1044348169 /nfs/dbraw/zinc/34/81/69/1044348169.db2.gz CFPUDLKAJJZHMK-SZVBFZGTSA-N 1 0 362.518 2.564 20 10 FFCDRO CC[N@@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)C1 ZINC001313895967 1044439668 /nfs/dbraw/zinc/43/96/68/1044439668.db2.gz OOAHSAGQQNESEC-KRWDZBQOSA-N 1 0 369.513 2.914 20 10 FFCDRO O=C(NCC(F)F)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292744 1044559651 /nfs/dbraw/zinc/55/96/51/1044559651.db2.gz NDDVBWBYZGYADU-KDOFPFPSSA-N 1 0 356.388 2.905 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC001317913553 1045170199 /nfs/dbraw/zinc/17/01/99/1045170199.db2.gz VTMKRCHWEGLDDF-MOPGFXCFSA-N 1 0 371.525 2.856 20 10 FFCDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319811159 1045276164 /nfs/dbraw/zinc/27/61/64/1045276164.db2.gz VASLUTCIXDTPCX-SFHVURJKSA-N 1 0 371.500 2.961 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]n1 ZINC001318418612 1045296579 /nfs/dbraw/zinc/29/65/79/1045296579.db2.gz HCTBELQFEBDZPK-UHFFFAOYSA-N 1 0 354.376 2.863 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C(C)C)cc1C ZINC001319927458 1045304685 /nfs/dbraw/zinc/30/46/85/1045304685.db2.gz GASZOSHJFSNSEP-KBAFEORJSA-N 1 0 372.509 2.657 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccccn4)C3)cc2F)CC1 ZINC001321153412 1045564716 /nfs/dbraw/zinc/56/47/16/1045564716.db2.gz AJYNFVNDRFPYGO-GOSISDBHSA-N 1 0 354.473 2.962 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](CCO)Cc3ccccc3)cc2F)CC1 ZINC001321351109 1045637646 /nfs/dbraw/zinc/63/76/46/1045637646.db2.gz XOAPIZJMNICQRY-HXUWFJFHSA-N 1 0 371.500 2.661 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001321839867 1045829734 /nfs/dbraw/zinc/82/97/34/1045829734.db2.gz QLSQIASCBRSGEF-UHFFFAOYSA-N 1 0 374.554 2.911 20 10 FFCDRO Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc2c[nH+]cn21 ZINC001324978696 1046318182 /nfs/dbraw/zinc/31/81/82/1046318182.db2.gz YCUCTSNCGOSDEG-UHFFFAOYSA-N 1 0 364.449 2.752 20 10 FFCDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729684302 1046938958 /nfs/dbraw/zinc/93/89/58/1046938958.db2.gz QASWIOLNISJMRN-UHFFFAOYSA-N 1 0 362.474 2.837 20 10 FFCDRO COc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)cc1 ZINC001290005654 1047807953 /nfs/dbraw/zinc/80/79/53/1047807953.db2.gz PJSOZIOZFPDCHW-SFHVURJKSA-N 1 0 370.449 2.602 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000734508809 1047815687 /nfs/dbraw/zinc/81/56/87/1047815687.db2.gz JKAWUGGWWIXGMC-KRWDZBQOSA-N 1 0 363.458 2.870 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC001327701762 1048002089 /nfs/dbraw/zinc/00/20/89/1048002089.db2.gz ZQKIUHIQELLPNX-QGZVFWFLSA-N 1 0 362.493 2.813 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCn2cc(Br)cn2)cc1F ZINC001328702548 1048428122 /nfs/dbraw/zinc/42/81/22/1048428122.db2.gz IXTZLFCUQFDYNA-UHFFFAOYSA-N 1 0 359.218 2.780 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001329746801 1048889987 /nfs/dbraw/zinc/88/99/87/1048889987.db2.gz ZESDGAZFPFQGCQ-TUVASFSCSA-N 1 0 352.500 2.699 20 10 FFCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001330422459 1049161856 /nfs/dbraw/zinc/16/18/56/1049161856.db2.gz COIVQVDJNZOIJX-NRFANRHFSA-N 1 0 363.521 2.808 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@H]3O)cc2F)CC1 ZINC001330532986 1049192803 /nfs/dbraw/zinc/19/28/03/1049192803.db2.gz JFDZGGNLYZHSKK-FBBABVLZSA-N 1 0 361.505 2.703 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cc2F)CC1 ZINC001341540423 1050169730 /nfs/dbraw/zinc/16/97/30/1050169730.db2.gz SYXRKOMDEGNAER-LJQANCHMSA-N 1 0 360.521 2.638 20 10 FFCDRO Cc1cc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)c(C)n1-c1cccc(C)c1 ZINC001342712846 1051329092 /nfs/dbraw/zinc/32/90/92/1051329092.db2.gz QVDZKFSBRAOCNY-UHFFFAOYSA-N 1 0 367.493 2.997 20 10 FFCDRO Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001304238860 1051578009 /nfs/dbraw/zinc/57/80/09/1051578009.db2.gz XPHKTCQNVAZCFC-OXQOHEQNSA-N 1 0 368.529 2.682 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CNc3ccccc32)[NH+](C)C)cc1 ZINC001343165382 1051788520 /nfs/dbraw/zinc/78/85/20/1051788520.db2.gz GAKGXYVVJYNJCZ-UYAOXDASSA-N 1 0 352.482 2.681 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCCNc2ncccn2)ccc1N1CCCCC1 ZINC000751507659 1052197087 /nfs/dbraw/zinc/19/70/87/1052197087.db2.gz VRRHDZRHAHAHTC-UHFFFAOYSA-N 1 0 370.457 2.967 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001308010770 1052383304 /nfs/dbraw/zinc/38/33/04/1052383304.db2.gz YYHREORMNPTKGU-XHSDSOJGSA-N 1 0 370.449 2.730 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC001308543013 1052466629 /nfs/dbraw/zinc/46/66/29/1052466629.db2.gz FUHFSGJOWZUZSQ-UHMOLFJZSA-N 1 0 361.530 2.923 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCCNC(=O)OC(C)(C)C)cc1OC ZINC001308682386 1052485967 /nfs/dbraw/zinc/48/59/67/1052485967.db2.gz SMGBFNJLXIESMX-UHFFFAOYSA-N 1 0 354.447 2.804 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]Cc2nc(-c3ccccn3)n[nH]2)c1O ZINC001308767759 1052497691 /nfs/dbraw/zinc/49/76/91/1052497691.db2.gz WZRHCSSCYGBHSO-UHFFFAOYSA-N 1 0 374.242 2.933 20 10 FFCDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001346739991 1053273742 /nfs/dbraw/zinc/27/37/42/1053273742.db2.gz WNPITTPIMWVWRZ-UHFFFAOYSA-N 1 0 352.482 2.995 20 10 FFCDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccc(N)cc3)cc2)CC1 ZINC001335572895 1053444160 /nfs/dbraw/zinc/44/41/60/1053444160.db2.gz VGAGNKTWXZQGDR-UHFFFAOYSA-N 1 0 368.481 2.741 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)no1 ZINC001348494447 1054739510 /nfs/dbraw/zinc/73/95/10/1054739510.db2.gz YXDKLHDKELTNAG-UHFFFAOYSA-N 1 0 356.470 2.752 20 10 FFCDRO Cc1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C2CC2)n1 ZINC001351906911 1055057045 /nfs/dbraw/zinc/05/70/45/1055057045.db2.gz ZMFVVGODUDZGQM-IBGZPJMESA-N 1 0 367.497 2.761 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001338751828 1055784712 /nfs/dbraw/zinc/78/47/12/1055784712.db2.gz UUYBVKPDUOTHMY-HNNXBMFYSA-N 1 0 369.494 2.960 20 10 FFCDRO Oc1cccc(Br)c1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001351328946 1056200844 /nfs/dbraw/zinc/20/08/44/1056200844.db2.gz GMLWTKNUSTXUAT-RDJZCZTQSA-N 1 0 369.303 2.622 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)C2CC[NH+](CC(C)C)CC2)cc1 ZINC001300280574 1056345636 /nfs/dbraw/zinc/34/56/36/1056345636.db2.gz OEWWYERODXHMPO-UHFFFAOYSA-N 1 0 361.530 2.958 20 10 FFCDRO Fc1cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)ccc1N1CCOCC1 ZINC000849352898 1056836825 /nfs/dbraw/zinc/83/68/25/1056836825.db2.gz RVDJCMYPNVCGEB-OAQYLSRUSA-N 1 0 371.456 2.935 20 10 FFCDRO Cc1cc(CC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(C)n1-c1ccccc1 ZINC001447791499 1058705753 /nfs/dbraw/zinc/70/57/53/1058705753.db2.gz LYZLRALARQUNGQ-UHFFFAOYSA-N 1 0 369.509 2.552 20 10 FFCDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001502286275 1058807748 /nfs/dbraw/zinc/80/77/48/1058807748.db2.gz KNSITUXZSFSDJD-QGZVFWFLSA-N 1 0 355.486 2.982 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H](C)CCO1 ZINC001354993200 1059744091 /nfs/dbraw/zinc/74/40/91/1059744091.db2.gz XAHZBEZBNCBQJZ-MDZRGWNJSA-N 1 0 362.518 2.564 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cncnc3C)CC2)cc1 ZINC000848517300 1060206195 /nfs/dbraw/zinc/20/61/95/1060206195.db2.gz GSPSNHJNEQVGOG-QGZVFWFLSA-N 1 0 369.513 2.657 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000848525142 1060216727 /nfs/dbraw/zinc/21/67/27/1060216727.db2.gz KSTDECVSFCSFBM-HXUWFJFHSA-N 1 0 359.514 2.507 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001457810514 1060448361 /nfs/dbraw/zinc/44/83/61/1060448361.db2.gz ORPKGKRDUZKIAU-UHFFFAOYSA-N 1 0 367.380 2.748 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458617840 1060636381 /nfs/dbraw/zinc/63/63/81/1060636381.db2.gz LAAMMDGZKVUBKE-VMSUTVGLSA-N 1 0 367.405 2.932 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCC[C@@H](C)C1 ZINC001461046306 1061196279 /nfs/dbraw/zinc/19/62/79/1061196279.db2.gz YDWLFRDGPIENIP-MSOLQXFVSA-N 1 0 362.537 2.788 20 10 FFCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)NCc1ccccc1 ZINC001461109707 1061214886 /nfs/dbraw/zinc/21/48/86/1061214886.db2.gz KZXMNQPTZBORMA-GFCCVEGCSA-N 1 0 363.255 2.949 20 10 FFCDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001461180589 1061240734 /nfs/dbraw/zinc/24/07/34/1061240734.db2.gz NVYFFIPCCNMGFF-UHFFFAOYSA-N 1 0 351.450 2.802 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1Cn1cccn1 ZINC001461433404 1061317140 /nfs/dbraw/zinc/31/71/40/1061317140.db2.gz JJUGRVZRXAZTFY-HNNXBMFYSA-N 1 0 374.485 2.943 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC001462370726 1061597724 /nfs/dbraw/zinc/59/77/24/1061597724.db2.gz PBXLZVZVMNAAKO-MRXNPFEDSA-N 1 0 361.463 2.840 20 10 FFCDRO COc1cc(C)c(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC001462544158 1061665467 /nfs/dbraw/zinc/66/54/67/1061665467.db2.gz DOUWYIXCEZAHNM-INIZCTEOSA-N 1 0 362.376 2.883 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC001462604651 1061689040 /nfs/dbraw/zinc/68/90/40/1061689040.db2.gz RYKJKRNZHPTPAT-UHFFFAOYSA-N 1 0 365.481 2.965 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)n1-c1cccc(C)c1 ZINC000771655296 1061975056 /nfs/dbraw/zinc/97/50/56/1061975056.db2.gz XEFUVLGJSFMAOI-HXUWFJFHSA-N 1 0 369.509 2.979 20 10 FFCDRO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495058333 1063433735 /nfs/dbraw/zinc/43/37/35/1063433735.db2.gz FJFQHHGWTOQJFV-GBESFXJTSA-N 1 0 370.497 2.525 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(NC=O)c2)[NH+](C)C)cc1 ZINC001467443671 1063748344 /nfs/dbraw/zinc/74/83/44/1063748344.db2.gz WGWJOUMLCZNWMP-IBGZPJMESA-N 1 0 369.469 2.745 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC001470555538 1064362662 /nfs/dbraw/zinc/36/26/62/1064362662.db2.gz GMSINZKWGXBFMG-GOSISDBHSA-N 1 0 360.546 2.975 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCOc3ccccc3F)cc2)CC1 ZINC001471563513 1064716123 /nfs/dbraw/zinc/71/61/23/1064716123.db2.gz FWOLFQXOZDPEEH-UHFFFAOYSA-N 1 0 371.456 2.663 20 10 FFCDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)n2)CC1 ZINC001472552194 1065095845 /nfs/dbraw/zinc/09/58/45/1065095845.db2.gz KXVQPUFZKKDFGR-UHFFFAOYSA-N 1 0 355.402 2.565 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C ZINC001474019582 1065442103 /nfs/dbraw/zinc/44/21/03/1065442103.db2.gz DQLNEPJZDBIPOO-SFTDATJTSA-N 1 0 354.494 2.976 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1OC ZINC001474286040 1065484935 /nfs/dbraw/zinc/48/49/35/1065484935.db2.gz DIQNGDMTWUDUEM-INIZCTEOSA-N 1 0 366.458 2.872 20 10 FFCDRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001577012437 1078293718 /nfs/dbraw/zinc/29/37/18/1078293718.db2.gz SARFGCNTHJIXNG-GRDNDAEWSA-N 1 0 374.508 2.828 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C2CC2)C2C[NH2+]C2)ccc1C ZINC001579660382 1078657780 /nfs/dbraw/zinc/65/77/80/1078657780.db2.gz RWKYISMOROSAIS-UHFFFAOYSA-N 1 0 351.450 2.791 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC[C@H]1CC[NH2+]C1 ZINC001579902915 1078710617 /nfs/dbraw/zinc/71/06/17/1078710617.db2.gz LQSVYZAGWPMRAM-GOSISDBHSA-N 1 0 368.529 2.823 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CC[C@@H]1CC[NH2+]C1 ZINC001579902916 1078710758 /nfs/dbraw/zinc/71/07/58/1078710758.db2.gz LQSVYZAGWPMRAM-SFHVURJKSA-N 1 0 368.529 2.823 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)C3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC001557449402 1075850786 /nfs/dbraw/zinc/85/07/86/1075850786.db2.gz FNHNWJYGUJTBQI-GOSISDBHSA-N 1 0 359.514 2.758 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001557898529 1075907973 /nfs/dbraw/zinc/90/79/73/1075907973.db2.gz WBCJRJGLLLKDPK-NEKNQUFESA-N 1 0 366.461 2.995 20 10 FFCDRO Cc1cc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)ccc1N(C)C ZINC001559946301 1076205126 /nfs/dbraw/zinc/20/51/26/1076205126.db2.gz PSUFJISZKHWUML-IBGZPJMESA-N 1 0 363.571 2.701 20 10 FFCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 ZINC001560283711 1076260120 /nfs/dbraw/zinc/26/01/20/1076260120.db2.gz HVPFKAJAJUJTIU-GGPKGHCWSA-N 1 0 359.514 2.682 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)cc1C ZINC001569310560 1077137800 /nfs/dbraw/zinc/13/78/00/1077137800.db2.gz GJJDTCZHBCPEOY-VNYTWHDVSA-N 1 0 372.509 2.803 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000277322507 510961035 /nfs/dbraw/zinc/96/10/35/510961035.db2.gz DPFOINIFWHVHJT-STQMWFEESA-N 1 0 370.291 2.827 20 10 FFCDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)CC1 ZINC000066450412 506523120 /nfs/dbraw/zinc/52/31/20/506523120.db2.gz GTWPAZVYVNHZRR-UHFFFAOYSA-N 1 0 373.541 2.775 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090803351 507936909 /nfs/dbraw/zinc/93/69/09/507936909.db2.gz GRCBMQBYDPWPQE-FUHWJXTLSA-N 1 0 370.472 2.987 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000093056342 508117802 /nfs/dbraw/zinc/11/78/02/508117802.db2.gz LZYRSAVCHVQXEH-UHFFFAOYSA-N 1 0 363.259 2.657 20 10 FFCDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000101629740 508251097 /nfs/dbraw/zinc/25/10/97/508251097.db2.gz ADKPMRQTEHTFGZ-BZSNNMDCSA-N 1 0 359.514 2.743 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104806542 508348271 /nfs/dbraw/zinc/34/82/71/508348271.db2.gz JIEKCNIVANSDHA-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000131854883 508975881 /nfs/dbraw/zinc/97/58/81/508975881.db2.gz PWKBUCJZFDEXFZ-UHFFFAOYSA-N 1 0 367.493 2.992 20 10 FFCDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1O ZINC000155365070 508986265 /nfs/dbraw/zinc/98/62/65/508986265.db2.gz BFQAHOMBHNLAGL-JTQLQIEISA-N 1 0 369.181 2.874 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1O ZINC000155637813 509042864 /nfs/dbraw/zinc/04/28/64/509042864.db2.gz QPKPQKSUMXSHBR-GOSISDBHSA-N 1 0 368.481 2.730 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CCn4ccnc4C3)cc2)CC1 ZINC000161507576 509123347 /nfs/dbraw/zinc/12/33/47/509123347.db2.gz FZKQOEHZVVIFIK-SFHVURJKSA-N 1 0 352.482 2.998 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000185685393 509303262 /nfs/dbraw/zinc/30/32/62/509303262.db2.gz GBZSBSCLIDUYEI-NSHDSACASA-N 1 0 366.405 2.665 20 10 FFCDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000164271427 509483867 /nfs/dbraw/zinc/48/38/67/509483867.db2.gz OTIGEFABZBCQFX-OAHLLOKOSA-N 1 0 373.419 2.532 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(O)c1 ZINC000186026040 509486745 /nfs/dbraw/zinc/48/67/45/509486745.db2.gz BPMJMKKBCVXKNB-LBPRGKRZSA-N 1 0 362.442 2.616 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)cc1 ZINC000192521677 509546075 /nfs/dbraw/zinc/54/60/75/509546075.db2.gz PJYMOIPZCPCEEI-OAQYLSRUSA-N 1 0 353.466 2.608 20 10 FFCDRO C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000237550551 509676293 /nfs/dbraw/zinc/67/62/93/509676293.db2.gz NPGJVMSRZKAALJ-UWJYYQICSA-N 1 0 367.493 2.818 20 10 FFCDRO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1O ZINC000183433222 509785687 /nfs/dbraw/zinc/78/56/87/509785687.db2.gz NGBMMXSJLMBBEM-HNNXBMFYSA-N 1 0 354.450 2.943 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180674623 510048401 /nfs/dbraw/zinc/04/84/01/510048401.db2.gz XWCDKEFITPXPBI-UHFFFAOYSA-N 1 0 366.458 2.649 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3csc(C)n3)CC2)cc1 ZINC000269384909 510375733 /nfs/dbraw/zinc/37/57/33/510375733.db2.gz ARCMSXCWIHYNQR-HNNXBMFYSA-N 1 0 360.527 2.933 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191206095 510547386 /nfs/dbraw/zinc/54/73/86/510547386.db2.gz DCIRUPSOXTVUIC-CYBMUJFWSA-N 1 0 362.424 2.668 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)ccc1O ZINC000184916746 510581416 /nfs/dbraw/zinc/58/14/16/510581416.db2.gz SKTRLTTUJGHXQJ-JTQLQIEISA-N 1 0 353.216 2.828 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000178403418 510586204 /nfs/dbraw/zinc/58/62/04/510586204.db2.gz DIMGDFGLYARRMV-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000184958690 510604553 /nfs/dbraw/zinc/60/45/53/510604553.db2.gz ASLDREQOWFKYBB-CQSZACIVSA-N 1 0 374.506 2.812 20 10 FFCDRO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444779 510663810 /nfs/dbraw/zinc/66/38/10/510663810.db2.gz IABDLOBLLGRAAJ-MEDUHNTESA-N 1 0 353.825 2.864 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185123258 510698379 /nfs/dbraw/zinc/69/83/79/510698379.db2.gz SREVSRSIZALARP-VXGBXAGGSA-N 1 0 352.431 2.851 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2F)CC1 ZINC000270421755 510803271 /nfs/dbraw/zinc/80/32/71/510803271.db2.gz FPVLXWDQYKDHQY-PWIZWCRZSA-N 1 0 360.473 2.834 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c(O)c1 ZINC000285485962 510926611 /nfs/dbraw/zinc/92/66/11/510926611.db2.gz LYAHIGMXFIYCEZ-QGZVFWFLSA-N 1 0 372.469 2.930 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc1OC ZINC000276814400 510947221 /nfs/dbraw/zinc/94/72/21/510947221.db2.gz VJGOOZHVLDNIEY-INIZCTEOSA-N 1 0 362.470 2.823 20 10 FFCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000278247243 510986340 /nfs/dbraw/zinc/98/63/40/510986340.db2.gz OULFVKPSDIGNFX-CYBMUJFWSA-N 1 0 374.397 2.949 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1C ZINC000285726863 511014159 /nfs/dbraw/zinc/01/41/59/511014159.db2.gz QNEDDRYWIWRKGR-CSNJMZFVSA-N 1 0 359.514 2.743 20 10 FFCDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000286317995 511021811 /nfs/dbraw/zinc/02/18/11/511021811.db2.gz YFSKPGIJZJDOKH-RIWGIVCCSA-N 1 0 356.422 2.539 20 10 FFCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000290231879 511129947 /nfs/dbraw/zinc/12/99/47/511129947.db2.gz IQZSXECTCIBSOD-FIKMYACPSA-N 1 0 372.440 2.808 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291356002 511165054 /nfs/dbraw/zinc/16/50/54/511165054.db2.gz XTRIWJNNLUUZJH-LLVKDONJSA-N 1 0 350.203 2.913 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](CC)c2ccccc2O)CC1 ZINC000294764407 511170895 /nfs/dbraw/zinc/17/08/95/511170895.db2.gz JLQLJPQKWHIAPF-MYYSRTQBSA-N 1 0 353.484 2.620 20 10 FFCDRO C[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000294776938 511174382 /nfs/dbraw/zinc/17/43/82/511174382.db2.gz BJPJGDMOUXZCDD-UHFFFAOYSA-N 1 0 350.413 2.617 20 10 FFCDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000283005229 511196004 /nfs/dbraw/zinc/19/60/04/511196004.db2.gz OGVSWPAMFYRLHH-HNNXBMFYSA-N 1 0 355.394 2.517 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccnn3C(C)C)CC2)cc1 ZINC000279826024 511230138 /nfs/dbraw/zinc/23/01/38/511230138.db2.gz GQYQMNDGHMJMQB-UHFFFAOYSA-N 1 0 371.529 2.775 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1SC ZINC000298444281 511287554 /nfs/dbraw/zinc/28/75/54/511287554.db2.gz NQDULMQQSJQYIB-QRQLOZEOSA-N 1 0 368.518 2.785 20 10 FFCDRO COc1cc(N2CC[NH+](CCOCC(C)C)CC2)cc(OC)c1OC ZINC000283240464 511290679 /nfs/dbraw/zinc/29/06/79/511290679.db2.gz JHZAOEYPPNMCMD-UHFFFAOYSA-N 1 0 352.475 2.507 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C)cc1O ZINC000280110990 511337768 /nfs/dbraw/zinc/33/77/68/511337768.db2.gz NQAUKNXPYOJRGC-IBGZPJMESA-N 1 0 369.513 2.744 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](N4CCOCC4)C[C@@H]3C)cc2)CC1 ZINC000295368590 511380082 /nfs/dbraw/zinc/38/00/82/511380082.db2.gz SEZBMRYQCFSNMF-GHTZIAJQSA-N 1 0 373.541 2.597 20 10 FFCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000272827675 511508037 /nfs/dbraw/zinc/50/80/37/511508037.db2.gz GZQBYDXDODRJRJ-INIZCTEOSA-N 1 0 353.466 2.912 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000273390345 511524755 /nfs/dbraw/zinc/52/47/55/511524755.db2.gz KODVRVZHCMOBRQ-QGZVFWFLSA-N 1 0 367.493 2.939 20 10 FFCDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000273439973 511526608 /nfs/dbraw/zinc/52/66/08/511526608.db2.gz MPWSWBSCARVTJP-YMTOWFKASA-N 1 0 363.767 2.880 20 10 FFCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(OCCN3CCOCC3)c1)CC2 ZINC000296075528 511610907 /nfs/dbraw/zinc/61/09/07/511610907.db2.gz SILZDEOEDJOSFC-FQEVSTJZSA-N 1 0 368.477 2.880 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(Br)cc1O ZINC000284251866 511657096 /nfs/dbraw/zinc/65/70/96/511657096.db2.gz INKCUEJYIZHBHU-ITDIGPHOSA-N 1 0 360.292 2.963 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000365845405 511683173 /nfs/dbraw/zinc/68/31/73/511683173.db2.gz CWCGMIKOJPIIPE-CYBMUJFWSA-N 1 0 352.232 2.807 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000365845406 511683886 /nfs/dbraw/zinc/68/38/86/511683886.db2.gz CWCGMIKOJPIIPE-ZDUSSCGKSA-N 1 0 352.232 2.807 20 10 FFCDRO O=C(NCCCCC[NH+]1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000296443714 511744882 /nfs/dbraw/zinc/74/48/82/511744882.db2.gz UIVDTPWBGMRJRO-UHFFFAOYSA-N 1 0 374.529 2.589 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc(Cl)ccc1O ZINC000284944218 511939902 /nfs/dbraw/zinc/93/99/02/511939902.db2.gz VPIGGPVHXBLGDJ-UCMVZMLTSA-N 1 0 362.861 2.792 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](CCO)Cc3cccnc3)cc2)CC1 ZINC000296903740 511943110 /nfs/dbraw/zinc/94/31/10/511943110.db2.gz ZKVPPUWWPIKIMP-UHFFFAOYSA-N 1 0 355.482 2.691 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)ccc21 ZINC000582367494 518719645 /nfs/dbraw/zinc/71/96/45/518719645.db2.gz PMLNJDCJCHZGQB-SFHVURJKSA-N 1 0 355.482 2.871 20 10 FFCDRO CCC[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000736479936 598524364 /nfs/dbraw/zinc/52/43/64/598524364.db2.gz MYFKSBAFGADQAK-UHFFFAOYSA-N 1 0 353.426 2.863 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@H+](CC)C1CC1 ZINC000153745959 728787284 /nfs/dbraw/zinc/78/72/84/728787284.db2.gz CEUGYKSRYGGHNP-UHFFFAOYSA-N 1 0 355.276 2.988 20 10 FFCDRO C[NH+](C)CCC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154607251 728808016 /nfs/dbraw/zinc/80/80/16/728808016.db2.gz SBAHHHAWETZNNQ-UHFFFAOYSA-N 1 0 356.561 2.999 20 10 FFCDRO Cc1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c(O)c1 ZINC000897978394 735299195 /nfs/dbraw/zinc/29/91/95/735299195.db2.gz OODQIRGEOQUHHT-CYBMUJFWSA-N 1 0 362.227 2.511 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c(O)cccc3Cl)C2)c1Cl ZINC000898363899 735346076 /nfs/dbraw/zinc/34/60/76/735346076.db2.gz FSZCGXXBXRGYKQ-VIFPVBQESA-N 1 0 355.225 2.563 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)CCSCC)cc2=O ZINC000744426172 735354049 /nfs/dbraw/zinc/35/40/49/735354049.db2.gz GAYVHOVKJXUBJL-LBPRGKRZSA-N 1 0 366.487 2.575 20 10 FFCDRO C[N@H+](Cc1cc(Br)ccc1O)CC(C)(C)CN1CCOCC1 ZINC000093769503 728477749 /nfs/dbraw/zinc/47/77/49/728477749.db2.gz PKMQTKYEWNTDFD-UHFFFAOYSA-N 1 0 371.319 2.945 20 10 FFCDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000119459379 728594677 /nfs/dbraw/zinc/59/46/77/728594677.db2.gz CWTXCHOHXXIESV-ZDUSSCGKSA-N 1 0 365.474 2.732 20 10 FFCDRO Cn1cc(Br)cc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000122781373 728651591 /nfs/dbraw/zinc/65/15/91/728651591.db2.gz CAHXVIOOAXZMOS-UHFFFAOYSA-N 1 0 353.216 2.854 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000124092226 728666243 /nfs/dbraw/zinc/66/62/43/728666243.db2.gz YJSFYLQHHCMMTE-SFHVURJKSA-N 1 0 350.459 2.721 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000125521665 728684548 /nfs/dbraw/zinc/68/45/48/728684548.db2.gz MDUFYDKCAXBFGN-BEFAXECRSA-N 1 0 368.905 2.616 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)CSC)cc2F)CC1 ZINC000133478038 728727066 /nfs/dbraw/zinc/72/70/66/728727066.db2.gz AWNQFMCEMLUPAH-CQSZACIVSA-N 1 0 368.522 2.518 20 10 FFCDRO C[C@H](OCC1CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262426 728729278 /nfs/dbraw/zinc/72/92/78/728729278.db2.gz QHRGJXFYBBPJJJ-SUMWQHHRSA-N 1 0 366.889 2.941 20 10 FFCDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000182495220 729280102 /nfs/dbraw/zinc/28/01/02/729280102.db2.gz AJOOHEFDWYRDQC-ROUUACIJSA-N 1 0 368.568 2.685 20 10 FFCDRO C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183071340 729295016 /nfs/dbraw/zinc/29/50/16/729295016.db2.gz RXIMLGBDXPOPII-OAHLLOKOSA-N 1 0 363.479 2.836 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185322643 729346729 /nfs/dbraw/zinc/34/67/29/729346729.db2.gz FPDHNMSZAPDYFP-CHWSQXEVSA-N 1 0 364.467 2.721 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)cc2O)s1 ZINC000186141962 729361116 /nfs/dbraw/zinc/36/11/16/729361116.db2.gz ZOGOLRVLGUQJCH-ZDUSSCGKSA-N 1 0 354.497 2.700 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779024768 738430523 /nfs/dbraw/zinc/43/05/23/738430523.db2.gz QZGIXSMLMKKQMW-OCCSQVGLSA-N 1 0 357.292 2.834 20 10 FFCDRO COc1cccc([C@H](O)C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858133784 730417443 /nfs/dbraw/zinc/41/74/43/730417443.db2.gz XXSKPKRZBRLGQO-MRXNPFEDSA-N 1 0 352.228 2.987 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnnn1C ZINC000925160847 738484404 /nfs/dbraw/zinc/48/44/04/738484404.db2.gz NCPLPQVDJRPJOO-QWHCGFSZSA-N 1 0 351.401 2.736 20 10 FFCDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862418476 730699803 /nfs/dbraw/zinc/69/98/03/730699803.db2.gz JWMDTGXYOWKKFW-LBPRGKRZSA-N 1 0 353.260 2.599 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(S(N)(=O)=O)cc1F ZINC000876654322 732266051 /nfs/dbraw/zinc/26/60/51/732266051.db2.gz CDQQWVZBYGEGFJ-UHFFFAOYSA-N 1 0 352.431 2.591 20 10 FFCDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000876712258 732271532 /nfs/dbraw/zinc/27/15/32/732271532.db2.gz CZZBWSCXCWMGMO-UHFFFAOYSA-N 1 0 358.511 2.915 20 10 FFCDRO COc1ccc(CNC(=O)c2sc(C3CC[NH2+]CC3)nc2C)c(O)c1 ZINC000876910804 732295888 /nfs/dbraw/zinc/29/58/88/732295888.db2.gz NAPUKOUNPXXYCE-UHFFFAOYSA-N 1 0 361.467 2.563 20 10 FFCDRO c1cc(N2CCSCC2)ccc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000876942799 732300361 /nfs/dbraw/zinc/30/03/61/732300361.db2.gz FXAVHXMKPINZHS-UHFFFAOYSA-N 1 0 357.479 2.696 20 10 FFCDRO CO[C@@]1(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCOC1 ZINC000876998303 732309831 /nfs/dbraw/zinc/30/98/31/732309831.db2.gz FHHVBKRIYKMAJO-GOSISDBHSA-N 1 0 356.413 2.652 20 10 FFCDRO COc1nsc(C[NH2+]Cc2cc(OC)ccc2O)c1Br ZINC000877035284 732316007 /nfs/dbraw/zinc/31/60/07/732316007.db2.gz DJBAJFSUGKLHCA-UHFFFAOYSA-N 1 0 359.245 2.918 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000877653338 732406716 /nfs/dbraw/zinc/40/67/16/732406716.db2.gz HITDSPZVOONMQP-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cc(Br)ccc1O ZINC000877765722 732425945 /nfs/dbraw/zinc/42/59/45/732425945.db2.gz OZWCGYDQIIEWEV-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)c1 ZINC000878359935 732520182 /nfs/dbraw/zinc/52/01/82/732520182.db2.gz FDLDTXKPJDGFFF-PRHODGIISA-N 1 0 357.204 2.536 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N(C)C)cc1 ZINC000878454894 732535357 /nfs/dbraw/zinc/53/53/57/732535357.db2.gz KJHUOHNGVMNRHB-GWCFXTLKSA-N 1 0 354.248 2.887 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccnc3Cl)cc2)CC1 ZINC000886325077 733773652 /nfs/dbraw/zinc/77/36/52/733773652.db2.gz SNRONOCKLOOILM-UHFFFAOYSA-N 1 0 358.873 2.727 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000886668167 733814321 /nfs/dbraw/zinc/81/43/21/733814321.db2.gz OCXMJGZGUSQNHN-UXLLHSPISA-N 1 0 368.905 2.757 20 10 FFCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000892622421 734581694 /nfs/dbraw/zinc/58/16/94/734581694.db2.gz OYJIGFKMADXVJC-ARFHVFGLSA-N 1 0 354.466 2.580 20 10 FFCDRO CCOC(=O)c1ncc(CN(C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000893571918 734721129 /nfs/dbraw/zinc/72/11/29/734721129.db2.gz NZZQNAWTEFYACX-UHFFFAOYSA-N 1 0 363.483 2.897 20 10 FFCDRO CCc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733330898 734809639 /nfs/dbraw/zinc/80/96/39/734809639.db2.gz RXDOEYAOYKFNRY-UHFFFAOYSA-N 1 0 358.507 2.774 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895340442 734992992 /nfs/dbraw/zinc/99/29/92/734992992.db2.gz SGOMZBSESFFPJC-UHFFFAOYSA-N 1 0 373.222 2.710 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000740900028 735097464 /nfs/dbraw/zinc/09/74/64/735097464.db2.gz IWTRBRIFELYZLU-OLZOCXBDSA-N 1 0 362.289 2.600 20 10 FFCDRO O=C1NCCC2(CC[NH+](Cc3ccc(Br)cc3O)CC2)O1 ZINC000897010769 735191760 /nfs/dbraw/zinc/19/17/60/735191760.db2.gz RTIRQJHHKLAMHO-UHFFFAOYSA-N 1 0 355.232 2.619 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897257896 735211656 /nfs/dbraw/zinc/21/16/56/735211656.db2.gz CTDQMQUCEFDABG-AWEZNQCLSA-N 1 0 356.260 2.661 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)ccc1O ZINC000742373670 735234525 /nfs/dbraw/zinc/23/45/25/735234525.db2.gz AXYYOZYAGBWQMO-KRWDZBQOSA-N 1 0 357.841 2.974 20 10 FFCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000897521479 735242609 /nfs/dbraw/zinc/24/26/09/735242609.db2.gz GWVDTHQWKUAKOD-OAHLLOKOSA-N 1 0 351.365 2.983 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900255199 735620723 /nfs/dbraw/zinc/62/07/23/735620723.db2.gz VTQDRDCTSSFVHZ-RTBURBONSA-N 1 0 359.539 2.873 20 10 FFCDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1=CC(=O)CS1 ZINC000751069347 735843874 /nfs/dbraw/zinc/84/38/74/735843874.db2.gz AHSPOZBMLFQIBL-UHFFFAOYSA-N 1 0 365.543 2.722 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCOC23CCCC3)cc(F)c1N1CCOCC1 ZINC000903184149 736051244 /nfs/dbraw/zinc/05/12/44/736051244.db2.gz UZMLSMGRFVVZQQ-QGZVFWFLSA-N 1 0 352.425 2.993 20 10 FFCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000756129895 736309807 /nfs/dbraw/zinc/30/98/07/736309807.db2.gz QXWVUONMFYEWPN-UHFFFAOYSA-N 1 0 360.907 2.728 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000756523631 736338610 /nfs/dbraw/zinc/33/86/10/736338610.db2.gz CYHGDQMLZMPTAJ-CZUORRHYSA-N 1 0 353.894 2.639 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Br)ccc1O ZINC000756758100 736359487 /nfs/dbraw/zinc/35/94/87/736359487.db2.gz HBONIXRAFNZEIV-JTQLQIEISA-N 1 0 362.289 2.630 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000760019136 736610648 /nfs/dbraw/zinc/61/06/48/736610648.db2.gz UDCNRRQRCJWTTC-OAHLLOKOSA-N 1 0 363.479 2.972 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000761497850 736740959 /nfs/dbraw/zinc/74/09/59/736740959.db2.gz BUTGCAODKXLVEZ-DZGCQCFKSA-N 1 0 358.276 2.983 20 10 FFCDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000762721019 736861545 /nfs/dbraw/zinc/86/15/45/736861545.db2.gz GJTFGMZEZVVTSF-IBGZPJMESA-N 1 0 361.873 2.544 20 10 FFCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765897990 737171627 /nfs/dbraw/zinc/17/16/27/737171627.db2.gz GDGHUFVMDVDZCF-HZPDHXFCSA-N 1 0 368.905 2.880 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000765979515 737179931 /nfs/dbraw/zinc/17/99/31/737179931.db2.gz KVVQRKDVIJCPJK-RBUKOAKNSA-N 1 0 362.539 2.980 20 10 FFCDRO C[N@H+](Cc1ccc(Br)o1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441155 737423164 /nfs/dbraw/zinc/42/31/64/737423164.db2.gz WKEJIORXWVOSIC-CYBMUJFWSA-N 1 0 354.200 2.806 20 10 FFCDRO O=C(C[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915982 737476880 /nfs/dbraw/zinc/47/68/80/737476880.db2.gz OOMMOSTVMQWMNO-HOTGVXAUSA-N 1 0 352.862 2.695 20 10 FFCDRO O=C(CCOCC1CC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771056692 737689917 /nfs/dbraw/zinc/68/99/17/737689917.db2.gz GOBYBXMEFOTAPN-KRWDZBQOSA-N 1 0 366.889 2.943 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=O ZINC000771058863 737690424 /nfs/dbraw/zinc/69/04/24/737690424.db2.gz OINMAEQUGUWPPM-CQSZACIVSA-N 1 0 361.829 2.541 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3/SC(=S)N(C4CC4)C3=O)cc2)CC1 ZINC000771514923 737732064 /nfs/dbraw/zinc/73/20/64/737732064.db2.gz WSCGBPYYLYEZPB-FOWTUZBSSA-N 1 0 359.520 2.802 20 10 FFCDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773121276 737873276 /nfs/dbraw/zinc/87/32/76/737873276.db2.gz YKFGKTJNZYCZLK-ABAIWWIYSA-N 1 0 350.356 2.626 20 10 FFCDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773121286 737873340 /nfs/dbraw/zinc/87/33/40/737873340.db2.gz YKFGKTJNZYCZLK-NHYWBVRUSA-N 1 0 350.356 2.626 20 10 FFCDRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000773359547 737899141 /nfs/dbraw/zinc/89/91/41/737899141.db2.gz ANWZRANXIAQZKN-RDTXWAMCSA-N 1 0 350.532 2.550 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(Br)c[nH]3)C2)cc1 ZINC000922197409 738104430 /nfs/dbraw/zinc/10/44/30/738104430.db2.gz SHDBLASJKNNBMW-LBPRGKRZSA-N 1 0 365.275 2.797 20 10 FFCDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000788524797 739254324 /nfs/dbraw/zinc/25/43/24/739254324.db2.gz UXZSDRACKZSDQK-UHFFFAOYSA-N 1 0 350.216 2.798 20 10 FFCDRO COc1cc(O)c(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)cc1OC ZINC000789866131 739392330 /nfs/dbraw/zinc/39/23/30/739392330.db2.gz KMRIBFOYZOETPP-VOTSOKGWSA-N 1 0 352.431 2.580 20 10 FFCDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000794792563 739930436 /nfs/dbraw/zinc/93/04/36/739930436.db2.gz FZPWGWZIAMVQPT-HNNXBMFYSA-N 1 0 361.511 2.868 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C)cc1O ZINC000794817099 739933355 /nfs/dbraw/zinc/93/33/55/739933355.db2.gz PDGVPQJXQNDSKV-ZFWWWQNUSA-N 1 0 369.508 2.638 20 10 FFCDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000797029881 740204939 /nfs/dbraw/zinc/20/49/39/740204939.db2.gz CSZHMZAHJRDQNQ-OAHLLOKOSA-N 1 0 368.905 2.759 20 10 FFCDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O ZINC000798000168 740297893 /nfs/dbraw/zinc/29/78/93/740297893.db2.gz ZHTSJMGMMRCKOJ-ZDUSSCGKSA-N 1 0 352.431 2.503 20 10 FFCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804736392 740901190 /nfs/dbraw/zinc/90/11/90/740901190.db2.gz UTNYVMSTSYCUBE-UHFFFAOYSA-N 1 0 364.243 2.541 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000808711341 741254723 /nfs/dbraw/zinc/25/47/23/741254723.db2.gz CJKVFTYWIARSKB-PZROIBLQSA-N 1 0 365.861 2.725 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810223888 741399487 /nfs/dbraw/zinc/39/94/87/741399487.db2.gz BQNYVTZLZLDZBA-CYBMUJFWSA-N 1 0 368.421 2.780 20 10 FFCDRO CSC1(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[NH+](C)CC1 ZINC000811906009 741572305 /nfs/dbraw/zinc/57/23/05/741572305.db2.gz OWNNFWDHRMGEJH-HNNXBMFYSA-N 1 0 364.559 2.940 20 10 FFCDRO CO[C@@](C)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000812535861 741630635 /nfs/dbraw/zinc/63/06/35/741630635.db2.gz ISIDRFKJTPSUAA-VQIMIIECSA-N 1 0 366.889 2.941 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1O ZINC000817864729 742219259 /nfs/dbraw/zinc/21/92/59/742219259.db2.gz BAYDITDTRDBMIC-LOWVWBTDSA-N 1 0 357.292 2.969 20 10 FFCDRO C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817938385 742223393 /nfs/dbraw/zinc/22/33/93/742223393.db2.gz JRPYQERVHXQHSI-SSDOTTSWSA-N 1 0 352.070 2.917 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818234188 742252459 /nfs/dbraw/zinc/25/24/59/742252459.db2.gz UVNMGAOHQFPVNX-QGZVFWFLSA-N 1 0 357.479 2.622 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000824576011 743109467 /nfs/dbraw/zinc/10/94/67/743109467.db2.gz XEJJEWJTLFTBIC-CQSZACIVSA-N 1 0 360.907 2.648 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824606213 743114285 /nfs/dbraw/zinc/11/42/85/743114285.db2.gz POSNVFUVUSBBGV-UHFFFAOYSA-N 1 0 354.878 2.719 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825090543 743208794 /nfs/dbraw/zinc/20/87/94/743208794.db2.gz XLQLDWJMARXRCZ-UHFFFAOYSA-N 1 0 357.248 2.865 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000825305033 743245009 /nfs/dbraw/zinc/24/50/09/743245009.db2.gz AHSYGIVTRYEZFA-UHFFFAOYSA-N 1 0 350.846 2.973 20 10 FFCDRO Oc1ccccc1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000825311073 743246896 /nfs/dbraw/zinc/24/68/96/743246896.db2.gz GCLRFPRMDRUCPN-UHFFFAOYSA-N 1 0 364.243 2.998 20 10 FFCDRO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(Br)cc1O ZINC000825405218 743264472 /nfs/dbraw/zinc/26/44/72/743264472.db2.gz DMAYKJTTWGSNIS-UHFFFAOYSA-N 1 0 354.248 2.749 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(Br)cc2O)CCOc2ccccc21 ZINC000825773785 743325573 /nfs/dbraw/zinc/32/55/73/743325573.db2.gz PLJDMAZCIGLNNS-QGZVFWFLSA-N 1 0 364.239 2.915 20 10 FFCDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826083527 743365809 /nfs/dbraw/zinc/36/58/09/743365809.db2.gz IYDQVNUIAJFBPG-CZUORRHYSA-N 1 0 366.259 2.898 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826846203 743454326 /nfs/dbraw/zinc/45/43/26/743454326.db2.gz RFZCHVFXSSQCDQ-LBPRGKRZSA-N 1 0 351.248 2.577 20 10 FFCDRO Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccc(N(C)C)c(F)c2)cc(Cl)n1 ZINC000827900998 744998488 /nfs/dbraw/zinc/99/84/88/744998488.db2.gz IAMAUHLWVMIVKK-HNNXBMFYSA-N 1 0 364.852 2.955 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccnc2C(F)(F)F)cc1 ZINC000832278910 745670784 /nfs/dbraw/zinc/67/07/84/745670784.db2.gz GHGORYIHUANFHP-AWEZNQCLSA-N 1 0 352.360 2.596 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000834850815 745913936 /nfs/dbraw/zinc/91/39/36/745913936.db2.gz PYJFIUMESAZHMG-ZFWWWQNUSA-N 1 0 371.319 2.961 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000835034729 745935178 /nfs/dbraw/zinc/93/51/78/745935178.db2.gz DCAAXKXXPOWAEJ-PLNGDYQASA-N 1 0 359.495 2.927 20 10 FFCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000835046294 745938948 /nfs/dbraw/zinc/93/89/48/745938948.db2.gz QALKZMHOWLWRBM-NHZBNJEXSA-N 1 0 355.404 2.766 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000835053983 745940500 /nfs/dbraw/zinc/94/05/00/745940500.db2.gz GGSKMRDXAFGUJV-RTRPANQVSA-N 1 0 356.491 2.927 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)[NH+](C)C ZINC000838685096 746695410 /nfs/dbraw/zinc/69/54/10/746695410.db2.gz QJCVCBNUKQPEEX-NSHDSACASA-N 1 0 358.280 2.636 20 10 FFCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC000838771297 746710251 /nfs/dbraw/zinc/71/02/51/746710251.db2.gz KYGYQQMWOOOJTL-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000838906960 746733920 /nfs/dbraw/zinc/73/39/20/746733920.db2.gz SRHIFAIWJCYFAR-UHFFFAOYSA-N 1 0 352.450 2.731 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)c2ccnn2C)cc1 ZINC000839183898 746797183 /nfs/dbraw/zinc/79/71/83/746797183.db2.gz PYOOWYYLEHRCNC-SFHVURJKSA-N 1 0 356.495 2.941 20 10 FFCDRO COc1cc(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000840136692 747015425 /nfs/dbraw/zinc/01/54/25/747015425.db2.gz VMXPSXJQFPKKQS-GASCZTMLSA-N 1 0 350.503 2.585 20 10 FFCDRO COCC(COC)N1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000840171305 747026496 /nfs/dbraw/zinc/02/64/96/747026496.db2.gz JMRPEBCGUXYUNX-UHFFFAOYSA-N 1 0 350.503 2.603 20 10 FFCDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000840761661 747175823 /nfs/dbraw/zinc/17/58/23/747175823.db2.gz ZPNHVALILAZXIW-CYBMUJFWSA-N 1 0 350.413 2.869 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000840884493 747212584 /nfs/dbraw/zinc/21/25/84/747212584.db2.gz NWICERDISUOHEL-UHFFFAOYSA-N 1 0 368.886 2.563 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000840888413 747213656 /nfs/dbraw/zinc/21/36/56/747213656.db2.gz JANHBRNCMLSLBB-LLVKDONJSA-N 1 0 364.305 2.939 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(Cl)c1 ZINC000840937424 747234738 /nfs/dbraw/zinc/23/47/38/747234738.db2.gz STCFAPPRCUDECA-UHFFFAOYSA-N 1 0 374.934 2.894 20 10 FFCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840951110 747239850 /nfs/dbraw/zinc/23/98/50/747239850.db2.gz SLCRMUXXNQKGRU-LBPRGKRZSA-N 1 0 358.866 2.671 20 10 FFCDRO CNC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000840974461 747247958 /nfs/dbraw/zinc/24/79/58/747247958.db2.gz JDUHVGSGAQSGTP-UHFFFAOYSA-N 1 0 358.408 2.665 20 10 FFCDRO COCC[NH2+]CCNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841047712 747260700 /nfs/dbraw/zinc/26/07/00/747260700.db2.gz HHZZAKGHQRAQTI-UHFFFAOYSA-N 1 0 370.335 2.765 20 10 FFCDRO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000841099870 747268917 /nfs/dbraw/zinc/26/89/17/747268917.db2.gz PSCLZZZZBAIGOH-YOEHRIQHSA-N 1 0 369.849 2.672 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1O ZINC000841754021 747449501 /nfs/dbraw/zinc/44/95/01/747449501.db2.gz OYZHYNWINSOBNE-WFASDCNBSA-N 1 0 362.861 2.621 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000842785528 747687479 /nfs/dbraw/zinc/68/74/79/747687479.db2.gz SWXQLRBNKFCBLC-QGZVFWFLSA-N 1 0 367.902 2.693 20 10 FFCDRO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843121701 747776919 /nfs/dbraw/zinc/77/69/19/747776919.db2.gz HQWJLLKWIYRNAO-ZDUSSCGKSA-N 1 0 360.285 2.519 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC000843296662 747806525 /nfs/dbraw/zinc/80/65/25/747806525.db2.gz CZEVREXUKQFAGJ-GOSISDBHSA-N 1 0 361.873 2.991 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000843299042 747807219 /nfs/dbraw/zinc/80/72/19/747807219.db2.gz QNZHEILFMHLNDP-SFHVURJKSA-N 1 0 361.873 2.991 20 10 FFCDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843353379 747816082 /nfs/dbraw/zinc/81/60/82/747816082.db2.gz GXNTVEKACWWCHV-UHFFFAOYSA-N 1 0 365.275 2.719 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000843428766 747834827 /nfs/dbraw/zinc/83/48/27/747834827.db2.gz NMGATUHUIIVIPG-MRXNPFEDSA-N 1 0 358.276 2.730 20 10 FFCDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000846208626 748431204 /nfs/dbraw/zinc/43/12/04/748431204.db2.gz JTXNABGTNOYLJS-CABCVRRESA-N 1 0 365.905 2.696 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000846476277 748488855 /nfs/dbraw/zinc/48/88/55/748488855.db2.gz MSEPWNCDSYLUFD-GOSISDBHSA-N 1 0 360.841 2.563 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1O ZINC000846929378 748577909 /nfs/dbraw/zinc/57/79/09/748577909.db2.gz LEFVVBYWNODXBP-QGZVFWFLSA-N 1 0 364.873 2.985 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)c(O)c1O ZINC000847078487 748615110 /nfs/dbraw/zinc/61/51/10/748615110.db2.gz JBUXHJMKQITMJC-UHFFFAOYSA-N 1 0 364.829 2.736 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1O ZINC000848530572 748951646 /nfs/dbraw/zinc/95/16/46/748951646.db2.gz BHAWTXMFWISLSI-LKFCYVNXSA-N 1 0 362.289 2.682 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)CC(F)F)c1O ZINC000848546648 748956681 /nfs/dbraw/zinc/95/66/81/748956681.db2.gz FBIALLZNKWGKSA-IONNQARKSA-N 1 0 354.191 2.830 20 10 FFCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848555639 748959327 /nfs/dbraw/zinc/95/93/27/748959327.db2.gz CEDIAHPTDDJULJ-QWRGUYRKSA-N 1 0 371.275 2.682 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000848556049 748959438 /nfs/dbraw/zinc/95/94/38/748959438.db2.gz KULQQSBNYSOWCL-BZNIZROVSA-N 1 0 374.275 2.746 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000848563132 748961364 /nfs/dbraw/zinc/96/13/64/748961364.db2.gz PIXDILMFJJPKLZ-ZACQAIPSSA-N 1 0 350.503 2.819 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848929153 749036533 /nfs/dbraw/zinc/03/65/33/749036533.db2.gz BNKNITYIZTUXGG-INIZCTEOSA-N 1 0 369.303 2.841 20 10 FFCDRO COCCN1CCC[C@H]1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850117559 749305565 /nfs/dbraw/zinc/30/55/65/749305565.db2.gz HCEGATSAWSWYKK-INIZCTEOSA-N 1 0 350.503 2.899 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(Br)cnn3C)C2)cc1 ZINC000850347547 749346868 /nfs/dbraw/zinc/34/68/68/749346868.db2.gz SXKCUZWULFLRSS-GFCCVEGCSA-N 1 0 365.275 2.560 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CC3CCCCCC3)cc2)CC1 ZINC000850355593 749351144 /nfs/dbraw/zinc/35/11/44/749351144.db2.gz ICTZPPQSRPLCGM-UHFFFAOYSA-N 1 0 350.528 2.981 20 10 FFCDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850434781 749364588 /nfs/dbraw/zinc/36/45/88/749364588.db2.gz CMIHKIPDGXYBMU-QYZOEREBSA-N 1 0 362.539 2.836 20 10 FFCDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850508644 749377859 /nfs/dbraw/zinc/37/78/59/749377859.db2.gz VUWZNBUBYLERJE-RBUKOAKNSA-N 1 0 350.528 2.836 20 10 FFCDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850508645 749378217 /nfs/dbraw/zinc/37/82/17/749378217.db2.gz VUWZNBUBYLERJE-RTBURBONSA-N 1 0 350.528 2.836 20 10 FFCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000851660294 749643167 /nfs/dbraw/zinc/64/31/67/749643167.db2.gz JTVKSTIFVZBVTQ-KGLIPLIRSA-N 1 0 352.910 2.983 20 10 FFCDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C2=CC(=O)CS2)CC1 ZINC000854334786 750285161 /nfs/dbraw/zinc/28/51/61/750285161.db2.gz RAZBATLISPAGSB-OAHLLOKOSA-N 1 0 354.516 2.787 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)ccc1O ZINC000397414524 845867465 /nfs/dbraw/zinc/86/74/65/845867465.db2.gz XZPOYAIHHNALLF-TZMCWYRMSA-N 1 0 354.422 2.818 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)c(O)c1OC ZINC000895942171 971100175 /nfs/dbraw/zinc/10/01/75/971100175.db2.gz BEVXYOVHLFGEQK-INIZCTEOSA-N 1 0 372.421 2.867 20 10 FFCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896054707 971190716 /nfs/dbraw/zinc/19/07/16/971190716.db2.gz YQLUSKJQLMFOFY-UHFFFAOYSA-N 1 0 356.470 2.537 20 10 FFCDRO O=C1N(C2COC2)CC[C@@]12CCC[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001275843211 1013077278 /nfs/dbraw/zinc/07/72/78/1013077278.db2.gz OUKAAYPZJALXEE-IBGZPJMESA-N 1 0 364.873 2.649 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cnc1F ZINC000893328073 971601680 /nfs/dbraw/zinc/60/16/80/971601680.db2.gz IYZWHPUUVDDJJP-QGZVFWFLSA-N 1 0 356.445 2.521 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1 ZINC000896749644 971690695 /nfs/dbraw/zinc/69/06/95/971690695.db2.gz USRGFTZEQFASPM-UHFFFAOYSA-N 1 0 368.437 2.695 20 10 FFCDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000759910754 971950062 /nfs/dbraw/zinc/95/00/62/971950062.db2.gz NDKZRAWFEPLJTK-UHFFFAOYSA-N 1 0 354.498 2.939 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275893029 1013149764 /nfs/dbraw/zinc/14/97/64/1013149764.db2.gz NWIYFKOIUWMUGO-WBMJQRKESA-N 1 0 364.873 2.741 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275895194 1013152617 /nfs/dbraw/zinc/15/26/17/1013152617.db2.gz YARGWOJKSPBNFN-IFXJQAMLSA-N 1 0 366.889 2.895 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001140101277 960469897 /nfs/dbraw/zinc/46/98/97/960469897.db2.gz ONDFSKKVEYMDLO-UHFFFAOYSA-N 1 0 363.259 2.657 20 10 FFCDRO CCOCCN1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1=O ZINC001275950850 1013223313 /nfs/dbraw/zinc/22/33/13/1013223313.db2.gz ALQPWDMSMJINCT-NRFANRHFSA-N 1 0 359.514 2.522 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000160323768 961808000 /nfs/dbraw/zinc/80/80/00/961808000.db2.gz VSAUGLPPRJBGGF-YJBOKZPZSA-N 1 0 369.465 2.863 20 10 FFCDRO CC(C)[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891241463 962527063 /nfs/dbraw/zinc/52/70/63/962527063.db2.gz ARIPQXHTIPYUHG-IHPCNDPISA-N 1 0 361.530 2.923 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000891244271 962545945 /nfs/dbraw/zinc/54/59/45/962545945.db2.gz ZDSWCAPYUKKSKE-HKUYNNGSSA-N 1 0 359.514 2.821 20 10 FFCDRO COc1ccc(C=O)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246846 962567219 /nfs/dbraw/zinc/56/72/19/962567219.db2.gz QIHOGWQXPLTNJN-LJQANCHMSA-N 1 0 369.465 2.606 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCc3cccnc32)[NH+](C)C)cc1 ZINC000891248734 962589379 /nfs/dbraw/zinc/58/93/79/962589379.db2.gz NNGMPCRVTTZPSG-UXHICEINSA-N 1 0 366.509 2.987 20 10 FFCDRO Cc1cccnc1/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250034 962595510 /nfs/dbraw/zinc/59/55/10/962595510.db2.gz YDGFQCHIZANRTD-CBUFDYBVSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2noc3ccccc23)[NH+](C)C)cc1 ZINC000891255253 962620364 /nfs/dbraw/zinc/62/03/64/962620364.db2.gz OAWIGTKKBPPNRY-IBGZPJMESA-N 1 0 366.465 2.855 20 10 FFCDRO CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000891255412 962621306 /nfs/dbraw/zinc/62/13/06/962621306.db2.gz OPNFWIGJHKCYMJ-FQEVSTJZSA-N 1 0 353.466 2.988 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000873051392 1013364852 /nfs/dbraw/zinc/36/48/52/1013364852.db2.gz AVLSVNKCSVCLJB-LJQANCHMSA-N 1 0 355.413 2.902 20 10 FFCDRO COc1nc(SC)ncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434666 963183782 /nfs/dbraw/zinc/18/37/82/963183782.db2.gz QXQQAWQSZUCTAB-UHFFFAOYSA-N 1 0 359.499 2.571 20 10 FFCDRO COc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1Cn1cccn1 ZINC000873147363 1013403112 /nfs/dbraw/zinc/40/31/12/1013403112.db2.gz AHVIDWIILBEBFG-UHFFFAOYSA-N 1 0 370.497 2.678 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001279108432 963885175 /nfs/dbraw/zinc/88/51/75/963885175.db2.gz SUHCGBYZMZPRLE-IBGZPJMESA-N 1 0 353.457 2.520 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@]34CCN(CC(F)F)C4=O)ccc21 ZINC001276112394 1013474623 /nfs/dbraw/zinc/47/46/23/1013474623.db2.gz VPEORCLFRIXZMT-HXUWFJFHSA-N 1 0 363.452 2.901 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891590350 964522775 /nfs/dbraw/zinc/52/27/75/964522775.db2.gz SAZFDLZYFNFNRG-HXUWFJFHSA-N 1 0 362.477 2.577 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891853872 965230313 /nfs/dbraw/zinc/23/03/13/965230313.db2.gz DHQZLETWBFUVNW-ZDUSSCGKSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(O)c1OC ZINC000891861911 965255527 /nfs/dbraw/zinc/25/55/27/965255527.db2.gz RLMLKVICTFSELS-CQSZACIVSA-N 1 0 364.486 2.782 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1C ZINC001022418271 965325339 /nfs/dbraw/zinc/32/53/39/965325339.db2.gz HYBTXWWFRPWQOP-FKPGQJDZSA-N 1 0 358.482 2.700 20 10 FFCDRO Cc1cccc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000894518971 965443883 /nfs/dbraw/zinc/44/38/83/965443883.db2.gz VZIWNRIVSSBVAG-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000093415535 965456432 /nfs/dbraw/zinc/45/64/32/965456432.db2.gz PNTLJGGIWZUXHA-OAQYLSRUSA-N 1 0 374.456 2.836 20 10 FFCDRO COC(=O)c1c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c2cc(F)ccc2n1C ZINC000894765487 965678632 /nfs/dbraw/zinc/67/86/32/965678632.db2.gz JCTDUFRSWXOJBH-AWEZNQCLSA-N 1 0 361.461 2.924 20 10 FFCDRO COC(=O)c1c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c2cc(F)ccc2n1C ZINC000894765491 965678846 /nfs/dbraw/zinc/67/88/46/965678846.db2.gz JCTDUFRSWXOJBH-CQSZACIVSA-N 1 0 361.461 2.924 20 10 FFCDRO C[NH+]1CCC2(CCN2C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000892033173 965851063 /nfs/dbraw/zinc/85/10/63/965851063.db2.gz YYHQTJCKQGLPFJ-UHFFFAOYSA-N 1 0 374.554 2.620 20 10 FFCDRO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CC ZINC001176044496 1013605570 /nfs/dbraw/zinc/60/55/70/1013605570.db2.gz MRXMRGKZJKCLIG-FXAWDEMLSA-N 1 0 364.461 2.636 20 10 FFCDRO CN(C)c1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000124678399 1013640471 /nfs/dbraw/zinc/64/04/71/1013640471.db2.gz WEZCCBYGMHIKCJ-UHFFFAOYSA-N 1 0 354.454 2.834 20 10 FFCDRO COc1ccc(O)c(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000934943432 967538711 /nfs/dbraw/zinc/53/87/11/967538711.db2.gz TVOPHXWDYJCDIL-IZZDOVSWSA-N 1 0 370.449 2.671 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)[NH+](C)C)c1 ZINC000126865934 967701307 /nfs/dbraw/zinc/70/13/07/967701307.db2.gz DSDLDDWQZMJOIR-GOSISDBHSA-N 1 0 357.454 2.845 20 10 FFCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(O)c(Br)cc1O)C2 ZINC001279663603 968015221 /nfs/dbraw/zinc/01/52/21/968015221.db2.gz YMMFKMVNFDYAIL-MRXNPFEDSA-N 1 0 355.276 2.778 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000895217035 968487265 /nfs/dbraw/zinc/48/72/65/968487265.db2.gz YXCKCXIQNVRVLC-JLSDUUJJSA-N 1 0 370.501 2.557 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)cc1C ZINC001024163338 968750138 /nfs/dbraw/zinc/75/01/38/968750138.db2.gz DSIHJJIJQHNSFK-ZTNFWEORSA-N 1 0 360.498 2.757 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178123747 969454643 /nfs/dbraw/zinc/45/46/43/969454643.db2.gz SVIWWSRLASGKIQ-KRWDZBQOSA-N 1 0 373.522 2.950 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237265655 970581723 /nfs/dbraw/zinc/58/17/23/970581723.db2.gz ZOHVPWPXVSLIDZ-HXUWFJFHSA-N 1 0 353.466 2.824 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000896902148 972673562 /nfs/dbraw/zinc/67/35/62/972673562.db2.gz WDCKAKPWTLNXIX-PHZGNYQRSA-N 1 0 362.470 2.912 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000841001737 974355872 /nfs/dbraw/zinc/35/58/72/974355872.db2.gz UCXHIDYLIOROTA-UHFFFAOYSA-N 1 0 358.486 2.512 20 10 FFCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C(C)C)c(C)cc3O)C2)nn1 ZINC000760543141 975466609 /nfs/dbraw/zinc/46/66/09/975466609.db2.gz YPDWAPGAQXPKLL-OAHLLOKOSA-N 1 0 358.442 2.649 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cc2c(cn1)OCCO2)C[C@H]1CCCO1 ZINC000876531763 1014294206 /nfs/dbraw/zinc/29/42/06/1014294206.db2.gz ODRRNPVPZYOMSX-QGZVFWFLSA-N 1 0 356.422 2.740 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000876555095 1014303430 /nfs/dbraw/zinc/30/34/30/1014303430.db2.gz LXGDWDBDLKSMBK-UHFFFAOYSA-N 1 0 363.465 2.544 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000898479132 976493098 /nfs/dbraw/zinc/49/30/98/976493098.db2.gz ORNITXYHPXJIQO-QAPCUYQASA-N 1 0 357.454 2.761 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)[NH+](C)C)cc1 ZINC000899098464 976922483 /nfs/dbraw/zinc/92/24/83/976922483.db2.gz OUZCZVKLVUQROJ-HOJAQTOUSA-N 1 0 374.529 2.566 20 10 FFCDRO Cc1cncc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000893887550 977582221 /nfs/dbraw/zinc/58/22/21/977582221.db2.gz MWWGMZKIKPJUKH-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000876893314 1014410849 /nfs/dbraw/zinc/41/08/49/1014410849.db2.gz FXXJECPRLMJDPL-JOCHJYFZSA-N 1 0 367.537 2.910 20 10 FFCDRO CC[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481834922 977693623 /nfs/dbraw/zinc/69/36/23/977693623.db2.gz SQAPFVWMXLGDOM-NSHGMRRFSA-N 1 0 360.498 2.803 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc4c(c3)CCO4)cc2)CC1 ZINC000877035003 1014458625 /nfs/dbraw/zinc/45/86/25/1014458625.db2.gz BWPAMEZEGCMBTC-UHFFFAOYSA-N 1 0 352.478 2.915 20 10 FFCDRO OCC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877055246 1014462817 /nfs/dbraw/zinc/46/28/17/1014462817.db2.gz NZGFRTOKMBENJD-HXUWFJFHSA-N 1 0 354.494 2.904 20 10 FFCDRO COC(=O)c1c(C[NH2+]Cc2cccc(CO)c2)c2cc(F)ccc2n1C ZINC000894239630 978379149 /nfs/dbraw/zinc/37/91/49/978379149.db2.gz LBSMPUKBHFEQRR-UHFFFAOYSA-N 1 0 356.397 2.886 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(O)c1OC ZINC000894243379 978402232 /nfs/dbraw/zinc/40/22/32/978402232.db2.gz IEECQTCLQFLDNX-WMLDXEAASA-N 1 0 370.449 2.689 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@](O)(c4ccc(F)cc4)C3)cc2)CC1 ZINC000877139950 1014487401 /nfs/dbraw/zinc/48/74/01/1014487401.db2.gz HDOJKTPYXOIHHX-JOCHJYFZSA-N 1 0 370.468 2.880 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2=O)cc1 ZINC000894262000 978493225 /nfs/dbraw/zinc/49/32/25/978493225.db2.gz LCHLWRUYAAYPKE-SFHVURJKSA-N 1 0 370.449 2.609 20 10 FFCDRO COC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000783697676 980127901 /nfs/dbraw/zinc/12/79/01/980127901.db2.gz PYCAOLYMZQELJY-UHFFFAOYSA-N 1 0 369.465 2.846 20 10 FFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000877578622 1014632407 /nfs/dbraw/zinc/63/24/07/1014632407.db2.gz GFHFJWDZNXRXPY-NRFANRHFSA-N 1 0 368.521 2.958 20 10 FFCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877584576 1014634796 /nfs/dbraw/zinc/63/47/96/1014634796.db2.gz HLNPNFORYRDARD-LJQANCHMSA-N 1 0 370.493 2.522 20 10 FFCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000877611783 1014645837 /nfs/dbraw/zinc/64/58/37/1014645837.db2.gz ZTUQSKHSHHQGNS-QVKFZJNVSA-N 1 0 358.457 2.999 20 10 FFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000905147356 980393129 /nfs/dbraw/zinc/39/31/29/980393129.db2.gz VVTOXXTVJGFZKU-NRFANRHFSA-N 1 0 358.457 2.918 20 10 FFCDRO CO[C@@H]1C[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)Cc3cccnc3N2C1 ZINC000877688868 1014683793 /nfs/dbraw/zinc/68/37/93/1014683793.db2.gz WIISUWIELCXIQZ-VQTJNVASSA-N 1 0 352.482 2.757 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000051688418 980824593 /nfs/dbraw/zinc/82/45/93/980824593.db2.gz MDMDSZYNPHOFRO-GASCZTMLSA-N 1 0 363.477 2.540 20 10 FFCDRO C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000907493789 981257750 /nfs/dbraw/zinc/25/77/50/981257750.db2.gz SSKZVMMUVSYZRJ-VQSBYGRUSA-N 1 0 359.514 2.821 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)ccc1OC ZINC000898058981 982604561 /nfs/dbraw/zinc/60/45/61/982604561.db2.gz VHTPZGSXIFCTAQ-FQEVSTJZSA-N 1 0 359.470 2.761 20 10 FFCDRO C[C@H]([NH3+])c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000826030651 1014914826 /nfs/dbraw/zinc/91/48/26/1014914826.db2.gz KBIWUOXHKHALGH-INIZCTEOSA-N 1 0 353.466 2.815 20 10 FFCDRO COCc1ccccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000878230385 1014931714 /nfs/dbraw/zinc/93/17/14/1014931714.db2.gz KENVXLTVDLHRIK-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c[nH]c3cnc(Cl)cc23)cc1 ZINC000911667101 983863956 /nfs/dbraw/zinc/86/39/56/983863956.db2.gz MVEDGDBEVXCCBW-MRXNPFEDSA-N 1 0 371.872 2.641 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000185509618 983899408 /nfs/dbraw/zinc/89/94/08/983899408.db2.gz GFYMBXYMQAMFGY-YRISNDGFSA-N 1 0 370.493 2.934 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)n1 ZINC000164306627 984349275 /nfs/dbraw/zinc/34/92/75/984349275.db2.gz JXXRAPLILSMSER-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO COCCOc1ccc(N2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168389426 984444268 /nfs/dbraw/zinc/44/42/68/984444268.db2.gz PQFTYBPDQPKAAN-UHFFFAOYSA-N 1 0 373.541 2.708 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)cc1 ZINC000761227270 984944363 /nfs/dbraw/zinc/94/43/63/984944363.db2.gz YQBSTYLGOAMZGV-SFHVURJKSA-N 1 0 350.466 2.786 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cc2)C1 ZINC000921573667 985407878 /nfs/dbraw/zinc/40/78/78/985407878.db2.gz JPKMPRGINNHRIS-ZGXWSNOMSA-N 1 0 371.525 2.683 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)C1 ZINC000921575816 985408782 /nfs/dbraw/zinc/40/87/82/985408782.db2.gz UYAITIUAWLEKEM-SFHVURJKSA-N 1 0 367.497 2.600 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000172694791 985641998 /nfs/dbraw/zinc/64/19/98/985641998.db2.gz FEYVKJKMWZZJPC-UHFFFAOYSA-N 1 0 354.498 2.736 20 10 FFCDRO CC[NH+]1CCN(CCCNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000063744554 986033331 /nfs/dbraw/zinc/03/33/31/986033331.db2.gz VJKHFYNYLDFGFG-UHFFFAOYSA-N 1 0 374.554 2.913 20 10 FFCDRO COc1cccc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000073677755 987049911 /nfs/dbraw/zinc/04/99/11/987049911.db2.gz DFOWKYCOFWPBHQ-HOTGVXAUSA-N 1 0 363.502 2.958 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2=CC[N@H+](C)CC2)CCCC1 ZINC000651661166 1015320178 /nfs/dbraw/zinc/32/01/78/1015320178.db2.gz OMNKENNNNJTRDH-UHFFFAOYSA-N 1 0 367.493 2.907 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+]1CCCCC1 ZINC000153883608 989755588 /nfs/dbraw/zinc/75/55/88/989755588.db2.gz UFAUQPZXZQIRBI-GOSISDBHSA-N 1 0 356.514 2.984 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000916573483 989827449 /nfs/dbraw/zinc/82/74/49/989827449.db2.gz LUDRFLRLMCERIV-PKOBYXMFSA-N 1 0 374.554 2.666 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000154083198 989835271 /nfs/dbraw/zinc/83/52/71/989835271.db2.gz AXYIDKZDHJEUFQ-UHFFFAOYSA-N 1 0 351.454 2.645 20 10 FFCDRO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090649 989841564 /nfs/dbraw/zinc/84/15/64/989841564.db2.gz CJXXYQGVOLWWPM-RXVVDRJESA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCC(C)CC1 ZINC000154219814 990031191 /nfs/dbraw/zinc/03/11/91/990031191.db2.gz SNBWYZGFZAXQJY-GOSISDBHSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC001034997158 990339943 /nfs/dbraw/zinc/33/99/43/990339943.db2.gz SJUFDQMZPFLEBW-ORJOSYTKSA-N 1 0 370.493 2.508 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCCCC(=O)C3)cc2)CC1 ZINC000918844235 990510816 /nfs/dbraw/zinc/51/08/16/990510816.db2.gz BTMCWRSHQDKVMS-GOSISDBHSA-N 1 0 357.498 2.594 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000919080663 990566986 /nfs/dbraw/zinc/56/69/86/990566986.db2.gz DKKXNLBCPPSGNV-HXUWFJFHSA-N 1 0 369.513 2.948 20 10 FFCDRO CN(Cc1ccc(I)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217351 990702396 /nfs/dbraw/zinc/70/23/96/990702396.db2.gz PFWKUWZJUZPYNL-STQMWFEESA-N 1 0 360.239 2.699 20 10 FFCDRO O=C(CC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)NC1CCCC1 ZINC000920087172 990790960 /nfs/dbraw/zinc/79/09/60/990790960.db2.gz ZJBFFQHYTMZRHE-UHFFFAOYSA-N 1 0 360.454 2.782 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649160 1015625131 /nfs/dbraw/zinc/62/51/31/1015625131.db2.gz NCCJYNZIOHXRQM-HZPDHXFCSA-N 1 0 369.465 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/nfs/dbraw/zinc/67/46/91/994674691.db2.gz WTMBATWTXXXWTP-VQIMIIECSA-N 1 0 353.466 2.957 20 10 FFCDRO CCCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810124047 994705873 /nfs/dbraw/zinc/70/58/73/994705873.db2.gz ARBJUPDINCCXQX-INIZCTEOSA-N 1 0 365.493 2.789 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2cc(C)c(C)cc2O)cc(OC)c1 ZINC000747622688 994881883 /nfs/dbraw/zinc/88/18/83/994881883.db2.gz UMBNRWWFQHIZHS-KRWDZBQOSA-N 1 0 359.466 2.967 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2C)cc1C ZINC001082654267 995194563 /nfs/dbraw/zinc/19/45/63/995194563.db2.gz HWNGJFQUSLDQHW-FEGHXTNJSA-N 1 0 372.509 2.755 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3OC3CC3)cc2)CC1 ZINC001132902487 995199941 /nfs/dbraw/zinc/19/99/41/995199941.db2.gz LQIHLLJZWXOBFB-UHFFFAOYSA-N 1 0 365.477 2.910 20 10 FFCDRO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824686824 997054094 /nfs/dbraw/zinc/05/40/94/997054094.db2.gz OWEZDPMMNAFWAZ-QGZVFWFLSA-N 1 0 362.518 2.505 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000824692194 997055466 /nfs/dbraw/zinc/05/54/66/997055466.db2.gz ACPOXMJOMVWGFQ-ROUUACIJSA-N 1 0 374.529 2.505 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(O)c1 ZINC000824827160 997115524 /nfs/dbraw/zinc/11/55/24/997115524.db2.gz ASKJUBCMYMUFFQ-JSGCOSHPSA-N 1 0 372.387 2.634 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)[nH]c1C ZINC000826846177 1016100494 /nfs/dbraw/zinc/10/04/94/1016100494.db2.gz QKCLFKYFWLHUPY-OAHLLOKOSA-N 1 0 357.454 2.877 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000844176099 997695410 /nfs/dbraw/zinc/69/54/10/997695410.db2.gz MMSMYZGNLMOFKY-RKOGWWSCSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000844400661 997860663 /nfs/dbraw/zinc/86/06/63/997860663.db2.gz FSSPCMXUJQROTK-UHFFFAOYSA-N 1 0 366.465 2.580 20 10 FFCDRO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2O)Cc2ccccc2C1 ZINC000845009923 998283978 /nfs/dbraw/zinc/28/39/78/998283978.db2.gz UMHWWTWPWKTDBH-UHFFFAOYSA-N 1 0 373.884 2.944 20 10 FFCDRO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccccc1O ZINC000731842823 998293593 /nfs/dbraw/zinc/29/35/93/998293593.db2.gz HOWYJUWGCIOUSY-LSDHHAIUSA-N 1 0 370.449 2.861 20 10 FFCDRO CN(C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001144499874 998608692 /nfs/dbraw/zinc/60/86/92/998608692.db2.gz NDTQCQDPXPAUEM-CYBMUJFWSA-N 1 0 366.458 2.882 20 10 FFCDRO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500699 998608940 /nfs/dbraw/zinc/60/89/40/998608940.db2.gz ZMQDBXKEAPYHPC-GOSISDBHSA-N 1 0 352.431 2.683 20 10 FFCDRO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499551 998609179 /nfs/dbraw/zinc/60/91/79/998609179.db2.gz IGRWEIUYVVGMHU-STQMWFEESA-N 1 0 366.458 2.929 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504647 998612424 /nfs/dbraw/zinc/61/24/24/998612424.db2.gz 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COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnnc2)cc1C ZINC001085343340 999394535 /nfs/dbraw/zinc/39/45/35/999394535.db2.gz NLNDICVEBRPCLA-QZTJIDSGSA-N 1 0 354.454 2.624 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000741791188 999743144 /nfs/dbraw/zinc/74/31/44/999743144.db2.gz QVEAPYNDPYRKDX-HXUWFJFHSA-N 1 0 351.494 2.933 20 10 FFCDRO COc1ccc(C2([NH2+]Cc3cc4c(cc3O)OCO4)CCOCC2)cc1 ZINC000742373079 999772413 /nfs/dbraw/zinc/77/24/13/999772413.db2.gz NPIPJCOBLYWWFB-UHFFFAOYSA-N 1 0 357.406 2.925 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086391788 999886587 /nfs/dbraw/zinc/88/65/87/999886587.db2.gz JKEOGZRALOXOQU-MLYOOKFZSA-N 1 0 360.498 2.803 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746421051 999987929 /nfs/dbraw/zinc/98/79/29/999987929.db2.gz HXDIGURAUZEFHM-GOSISDBHSA-N 1 0 358.530 2.934 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cnc(N2CCCC2)nc1)C[C@@H]1CCCO1 ZINC000768161490 1000187621 /nfs/dbraw/zinc/18/76/21/1000187621.db2.gz FXKGEPSFSLPSMZ-IBGZPJMESA-N 1 0 368.481 2.964 20 10 FFCDRO O=C(NCC[NH+]1CCCC1)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000845992826 1000190722 /nfs/dbraw/zinc/19/07/22/1000190722.db2.gz QYASMFUKBONFHN-UHFFFAOYSA-N 1 0 357.429 2.969 20 10 FFCDRO COc1ccc(CN2CC[NH+](Cc3c(O)cccc3OC)CC2)cc1F ZINC000768198257 1000195319 /nfs/dbraw/zinc/19/53/19/1000195319.db2.gz PWLGQTODFRLHJU-UHFFFAOYSA-N 1 0 360.429 2.866 20 10 FFCDRO NC(=O)C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000768258134 1000201063 /nfs/dbraw/zinc/20/10/63/1000201063.db2.gz PWBUNEXRWXYFHI-UHFFFAOYSA-N 1 0 360.458 2.815 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000846068673 1000202821 /nfs/dbraw/zinc/20/28/21/1000202821.db2.gz XIQDEUKDXPUNKQ-HSZRJFAPSA-N 1 0 365.521 2.964 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(N(C)C)cc1 ZINC000846161206 1000212784 /nfs/dbraw/zinc/21/27/84/1000212784.db2.gz WJUVTUYLPHJEEO-BOLBYERCSA-N 1 0 374.529 2.742 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000768319602 1000220725 /nfs/dbraw/zinc/22/07/25/1000220725.db2.gz QLTQJKFGECOYDU-UHFFFAOYSA-N 1 0 364.486 2.546 20 10 FFCDRO COc1ccc(OC)c(C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)c1 ZINC000768439937 1000248604 /nfs/dbraw/zinc/24/86/04/1000248604.db2.gz ASBVQCWKVCRLSJ-IBGZPJMESA-N 1 0 371.433 3.000 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000846696252 1000411996 /nfs/dbraw/zinc/41/19/96/1000411996.db2.gz DCLNZFLYNLTDDL-OXJNMPFZSA-N 1 0 355.482 2.926 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000846708846 1000419614 /nfs/dbraw/zinc/41/96/14/1000419614.db2.gz WJJZQCDVPFEYKA-BBRMVZONSA-N 1 0 369.465 2.817 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000769202106 1000463002 /nfs/dbraw/zinc/46/30/02/1000463002.db2.gz OCSHQDOSHQXKAQ-HNNXBMFYSA-N 1 0 359.401 2.936 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000769232167 1000470890 /nfs/dbraw/zinc/47/08/90/1000470890.db2.gz IIJDGIDNNZPGCU-AWEZNQCLSA-N 1 0 364.442 2.952 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785985036 1001513774 /nfs/dbraw/zinc/51/37/74/1001513774.db2.gz JUSLBKLDIFKZPK-HXUWFJFHSA-N 1 0 373.522 2.576 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000746718861 1001739433 /nfs/dbraw/zinc/73/94/33/1001739433.db2.gz ONFBFSUILVZGIS-UHFFFAOYSA-N 1 0 370.472 2.749 20 10 FFCDRO Cn1cnc(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2)n1 ZINC000788071000 1001754147 /nfs/dbraw/zinc/75/41/47/1001754147.db2.gz KQELVXVJWPXPOK-UHFFFAOYSA-N 1 0 362.481 2.846 20 10 FFCDRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)Oc2ccccc21 ZINC001182523085 1001950311 /nfs/dbraw/zinc/95/03/11/1001950311.db2.gz XSMJLRSEVYKQLG-MRXNPFEDSA-N 1 0 369.442 2.870 20 10 FFCDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cccc(O)c3O)CCCCC2)CCO1 ZINC000790668815 1002454009 /nfs/dbraw/zinc/45/40/09/1002454009.db2.gz MYYANWCOJNERLT-UHFFFAOYSA-N 1 0 362.470 2.641 20 10 FFCDRO CCc1[nH]c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C(=O)OC ZINC001184217948 1002529198 /nfs/dbraw/zinc/52/91/98/1002529198.db2.gz KRURMSGFMRMZQO-FQEVSTJZSA-N 1 0 372.513 2.822 20 10 FFCDRO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)O1 ZINC000774826942 1002797222 /nfs/dbraw/zinc/79/72/22/1002797222.db2.gz YMEGRWAOHVMWJP-AZUAARDMSA-N 1 0 354.450 2.785 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC3(C)CCC3)CC2)cc1 ZINC001185110005 1002820721 /nfs/dbraw/zinc/82/07/21/1002820721.db2.gz FYKNMRDNAMYYGV-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO O=C(NCc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001185490033 1002981824 /nfs/dbraw/zinc/98/18/24/1002981824.db2.gz FEXIACAQKJARCW-UHFFFAOYSA-N 1 0 357.429 2.995 20 10 FFCDRO COc1c(O)c(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000775011572 1003293057 /nfs/dbraw/zinc/29/30/57/1003293057.db2.gz LLPAJJGOMYDPGL-HNNXBMFYSA-N 1 0 371.393 2.594 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)c(O)c1 ZINC000793387772 1003360375 /nfs/dbraw/zinc/36/03/75/1003360375.db2.gz AAWMBOVFDSPZTM-AWEZNQCLSA-N 1 0 358.438 2.837 20 10 FFCDRO Cc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC001203648869 1003479834 /nfs/dbraw/zinc/47/98/34/1003479834.db2.gz YMALCSQBQGHJDC-AWEZNQCLSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CCCCC3(C)C)CC2)cc1 ZINC000775683035 1003635438 /nfs/dbraw/zinc/63/54/38/1003635438.db2.gz OSZHEUFPPANGQM-LJQANCHMSA-N 1 0 359.514 2.902 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1O ZINC000775737390 1003896409 /nfs/dbraw/zinc/89/64/09/1003896409.db2.gz SNZCCKMOWXKGAN-ZDUSSCGKSA-N 1 0 372.860 2.502 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccc(F)cc1 ZINC000747232562 1003956250 /nfs/dbraw/zinc/95/62/50/1003956250.db2.gz YMGWMFNDOZZWAB-RTBURBONSA-N 1 0 371.456 2.826 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)c(OC)c1 ZINC001197104391 1004083608 /nfs/dbraw/zinc/08/36/08/1004083608.db2.gz CMAIVZYVNPRKGW-IBGZPJMESA-N 1 0 370.493 2.820 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000747341272 1004377678 /nfs/dbraw/zinc/37/76/78/1004377678.db2.gz CZKZNKXTKLJBGY-WOJBJXKFSA-N 1 0 353.466 2.687 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)NCCc3cn(C)cn3)cs2)cc1 ZINC001193175231 1004386128 /nfs/dbraw/zinc/38/61/28/1004386128.db2.gz AHPBJJWRHLHHQG-UHFFFAOYSA-N 1 0 355.467 2.582 20 10 FFCDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775832070 1004543547 /nfs/dbraw/zinc/54/35/47/1004543547.db2.gz WZGWUYBIDQHLSK-OAHLLOKOSA-N 1 0 369.465 2.853 20 10 FFCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775836022 1004564271 /nfs/dbraw/zinc/56/42/71/1004564271.db2.gz XIOFTGWENJYOSN-YWZLYKJASA-N 1 0 371.481 2.802 20 10 FFCDRO COC(=O)c1ccccc1CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000775614191 1004818700 /nfs/dbraw/zinc/81/87/00/1004818700.db2.gz ZFPJUDBPQBASRR-UHFFFAOYSA-N 1 0 372.440 2.986 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000850480633 1005818067 /nfs/dbraw/zinc/81/80/67/1005818067.db2.gz AQFQFPCPYOFVPZ-AEFFLSMTSA-N 1 0 359.466 2.980 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769323 1005862471 /nfs/dbraw/zinc/86/24/71/1005862471.db2.gz IQAMOIXFIVTTLU-MRXNPFEDSA-N 1 0 369.465 2.584 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000851656284 1005903448 /nfs/dbraw/zinc/90/34/48/1005903448.db2.gz IKQHNXOKEFHQNF-QGZVFWFLSA-N 1 0 362.493 2.813 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc21 ZINC000851657126 1005903737 /nfs/dbraw/zinc/90/37/37/1005903737.db2.gz VIEZBWCLPSZTPJ-HXUWFJFHSA-N 1 0 370.541 2.990 20 10 FFCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852345186 1005986940 /nfs/dbraw/zinc/98/69/40/1005986940.db2.gz FBCFHVCLNPWNTK-DLBZAZTESA-N 1 0 362.518 2.694 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000852597406 1006096034 /nfs/dbraw/zinc/09/60/34/1006096034.db2.gz RHISJWCTSRVCKI-UYAOXDASSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000852843709 1006204338 /nfs/dbraw/zinc/20/43/38/1006204338.db2.gz FKRPNYSORRBQAO-RIFZZMRRSA-N 1 0 353.466 2.726 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3csc(C4CC4)n3)cc2)CC1 ZINC000881854321 1006244756 /nfs/dbraw/zinc/24/47/56/1006244756.db2.gz BJSXZZWDMPGIIL-UHFFFAOYSA-N 1 0 370.522 2.631 20 10 FFCDRO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(O)cc1C ZINC000853531537 1006430974 /nfs/dbraw/zinc/43/09/74/1006430974.db2.gz HHTDNKRTFUIRDX-KNQAVFIVSA-N 1 0 368.477 2.794 20 10 FFCDRO CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000853643398 1006491627 /nfs/dbraw/zinc/49/16/27/1006491627.db2.gz UZOHPIMQDZTLKC-LJQANCHMSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000815022721 1006494296 /nfs/dbraw/zinc/49/42/96/1006494296.db2.gz XFTOSVDPNRGWBT-FQEVSTJZSA-N 1 0 358.457 2.950 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC000853681316 1006503345 /nfs/dbraw/zinc/50/33/45/1006503345.db2.gz BVCJGABYIGTURU-XLIONFOSSA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1noc(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2)n1 ZINC000882880584 1006545477 /nfs/dbraw/zinc/54/54/77/1006545477.db2.gz ZJOWJNXLDZJYJI-UHFFFAOYSA-N 1 0 364.453 2.804 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1 ZINC000815625785 1006718410 /nfs/dbraw/zinc/71/84/10/1006718410.db2.gz MGECQTVYUYTGQL-CSNJMZFVSA-N 1 0 359.514 2.743 20 10 FFCDRO O=C(CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1)N1CCCCC1 ZINC000816482548 1007064002 /nfs/dbraw/zinc/06/40/02/1007064002.db2.gz KAPGKPYQUHPCCP-UHFFFAOYSA-N 1 0 367.493 2.676 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775256524 1007088014 /nfs/dbraw/zinc/08/80/14/1007088014.db2.gz ZLRYTVQCIULVTI-FGTMMUONSA-N 1 0 359.514 2.678 20 10 FFCDRO O=S(=O)(C1CC[NH+](Cc2ccc3ccccc3c2O)CC1)N1CCCC1 ZINC000816599893 1007129311 /nfs/dbraw/zinc/12/93/11/1007129311.db2.gz CMNRNRSATDLAQH-UHFFFAOYSA-N 1 0 374.506 2.935 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775259403 1007131246 /nfs/dbraw/zinc/13/12/46/1007131246.db2.gz IVFUFARXOCVSRJ-MRXNPFEDSA-N 1 0 371.456 2.629 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)cc1 ZINC000855231464 1007199349 /nfs/dbraw/zinc/19/93/49/1007199349.db2.gz ADWVPDDHGNSAHX-OXJNMPFZSA-N 1 0 357.498 2.797 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884309929 1007367366 /nfs/dbraw/zinc/36/73/66/1007367366.db2.gz JOGSQDGEXPGBQM-YVEFUNNKSA-N 1 0 354.406 2.894 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817285642 1007509681 /nfs/dbraw/zinc/50/96/81/1007509681.db2.gz AJONAIUWFPBXDE-UHFFFAOYSA-N 1 0 361.530 2.989 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000775371060 1007537416 /nfs/dbraw/zinc/53/74/16/1007537416.db2.gz SASASOJKTDHOTI-GDBMZVCRSA-N 1 0 361.438 2.638 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000817375841 1007567419 /nfs/dbraw/zinc/56/74/19/1007567419.db2.gz SSMCKZQMWIWMKW-HACGYAERSA-N 1 0 363.454 2.618 20 10 FFCDRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000775375170 1007598217 /nfs/dbraw/zinc/59/82/17/1007598217.db2.gz JEWUIQUOECZPBT-CYBMUJFWSA-N 1 0 372.421 2.867 20 10 FFCDRO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000775403240 1007747603 /nfs/dbraw/zinc/74/76/03/1007747603.db2.gz HVKOFKLCQVCQIU-HTAPYJJXSA-N 1 0 367.493 2.567 20 10 FFCDRO Cc1cc(C[NH3+])cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818637487 1007957906 /nfs/dbraw/zinc/95/79/06/1007957906.db2.gz UKPUCXKDTSEEFK-UHFFFAOYSA-N 1 0 368.481 2.954 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000819002689 1008005634 /nfs/dbraw/zinc/00/56/34/1008005634.db2.gz NSNZKWNFAKMPLU-HXUWFJFHSA-N 1 0 371.437 2.895 20 10 FFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000818967872 1008010389 /nfs/dbraw/zinc/01/03/89/1008010389.db2.gz DMHNGVBJEJLSDB-FPOVZHCZSA-N 1 0 367.493 2.520 20 10 FFCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000818973435 1008012643 /nfs/dbraw/zinc/01/26/43/1008012643.db2.gz QEFJHYZFOZGQCO-OAQYLSRUSA-N 1 0 370.493 2.670 20 10 FFCDRO CC(C)CC[NH+]1CCC(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819169698 1008056635 /nfs/dbraw/zinc/05/66/35/1008056635.db2.gz CIPVRQUYLMZLMC-UHFFFAOYSA-N 1 0 373.497 2.915 20 10 FFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000819358568 1008107623 /nfs/dbraw/zinc/10/76/23/1008107623.db2.gz LFLCMRZNHDYOGE-LJQANCHMSA-N 1 0 362.420 2.933 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCn3ccnc32)C1 ZINC000857905516 1008241390 /nfs/dbraw/zinc/24/13/90/1008241390.db2.gz IUOOHDQQGNFHJO-UHFFFAOYSA-N 1 0 363.465 2.651 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2F)CC1 ZINC000858106962 1008302706 /nfs/dbraw/zinc/30/27/06/1008302706.db2.gz VFIMIAXFQHRJHH-UHFFFAOYSA-N 1 0 354.429 2.953 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489945 1008368047 /nfs/dbraw/zinc/36/80/47/1008368047.db2.gz PZODXNIQNIGQCL-JSGCOSHPSA-N 1 0 372.860 2.721 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC000858553119 1008380945 /nfs/dbraw/zinc/38/09/45/1008380945.db2.gz XOKYYPFRPIMXQQ-QZTJIDSGSA-N 1 0 374.529 2.553 20 10 FFCDRO CCOC(=O)c1c(C)n[nH]c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391752 1008451688 /nfs/dbraw/zinc/45/16/88/1008451688.db2.gz QYJTZUVLZIFDRL-MRXNPFEDSA-N 1 0 373.453 2.782 20 10 FFCDRO CCCOCCOC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000858953457 1008455753 /nfs/dbraw/zinc/45/57/53/1008455753.db2.gz JSMWIWRKDRGKBW-UHFFFAOYSA-N 1 0 367.465 2.620 20 10 FFCDRO CN(c1ccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1)C1CCCCC1 ZINC001136446696 1008462384 /nfs/dbraw/zinc/46/23/84/1008462384.db2.gz RUEZHYVXIDKYSS-NRFANRHFSA-N 1 0 371.525 2.792 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000859288503 1008497480 /nfs/dbraw/zinc/49/74/80/1008497480.db2.gz YYSBODLTXIASDI-KRWDZBQOSA-N 1 0 353.466 2.978 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000886324791 1008637417 /nfs/dbraw/zinc/63/74/17/1008637417.db2.gz HCNLVUFQBMFRIJ-UHFFFAOYSA-N 1 0 354.454 2.544 20 10 FFCDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325564 1008639873 /nfs/dbraw/zinc/63/98/73/1008639873.db2.gz JXNOAFAMKDXOMX-UHFFFAOYSA-N 1 0 367.493 2.995 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1O ZINC000886747420 1008857560 /nfs/dbraw/zinc/85/75/60/1008857560.db2.gz SUVPPEVRCJFJIM-OAHLLOKOSA-N 1 0 353.466 2.945 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCCCC[N@H+](C)C3CC3)C2)cc1 ZINC000823688913 1009173663 /nfs/dbraw/zinc/17/36/63/1009173663.db2.gz WZTPILRHDLFWPL-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COCC1CCC([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000823716822 1009199376 /nfs/dbraw/zinc/19/93/76/1009199376.db2.gz SAIQRQGZLHHLNS-UHFFFAOYSA-N 1 0 361.530 2.612 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCc3cncn3C2)c1 ZINC000861663741 1009500625 /nfs/dbraw/zinc/50/06/25/1009500625.db2.gz NRHPBQBFSAYEHB-SFHVURJKSA-N 1 0 362.433 2.848 20 10 FFCDRO CCON(CC)C(=O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862453565 1009848077 /nfs/dbraw/zinc/84/80/77/1009848077.db2.gz XHYKKKRYNIPERB-UHFFFAOYSA-N 1 0 358.438 2.861 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1 ZINC000862538043 1009871380 /nfs/dbraw/zinc/87/13/80/1009871380.db2.gz LQINONUGSKZHHU-UKMLZYKCSA-N 1 0 368.399 2.932 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N(CC3CC3)CC3CC3)cc2)CC1 ZINC000889660650 1010044278 /nfs/dbraw/zinc/04/42/78/1010044278.db2.gz DXBDJCQIRAUVCP-UHFFFAOYSA-N 1 0 356.514 2.770 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2nccn2C)C1 ZINC000774142938 1010477618 /nfs/dbraw/zinc/47/76/18/1010477618.db2.gz INGQLEGXEVOEQE-UHFFFAOYSA-N 1 0 366.465 2.885 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C)cc1C ZINC001093813546 1010628554 /nfs/dbraw/zinc/62/85/54/1010628554.db2.gz PACPDJZXYPPDRA-SJLPKXTDSA-N 1 0 370.497 2.544 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@H]2C)cc1C ZINC001093925508 1010687429 /nfs/dbraw/zinc/68/74/29/1010687429.db2.gz MCIIICZNFVKQLB-GDBMZVCRSA-N 1 0 359.445 2.969 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1O ZINC000865816772 1010868119 /nfs/dbraw/zinc/86/81/19/1010868119.db2.gz RBUASONZYQEFSC-UHFFFAOYSA-N 1 0 355.438 2.606 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(N2CCCCC2)cc1 ZINC000866519188 1011007213 /nfs/dbraw/zinc/00/72/13/1011007213.db2.gz NSTGFZGZJAAYCT-OXQOHEQNSA-N 1 0 359.470 2.549 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC000866526623 1011011743 /nfs/dbraw/zinc/01/17/43/1011011743.db2.gz NMTJKMXWSFMHAR-CQSZACIVSA-N 1 0 364.486 2.858 20 10 FFCDRO C[NH+](C)CCn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cn1 ZINC000866595695 1011021163 /nfs/dbraw/zinc/02/11/63/1011021163.db2.gz KSSFSYHLHSKSJL-UHFFFAOYSA-N 1 0 368.437 2.586 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@@H](C)C1 ZINC000868263169 1011220784 /nfs/dbraw/zinc/22/07/84/1011220784.db2.gz LDVJTKUCHUSEBB-XYJFISCASA-N 1 0 363.502 2.889 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1O ZINC000868490626 1011334119 /nfs/dbraw/zinc/33/41/19/1011334119.db2.gz YALUPZPXJKPXCF-QAPCUYQASA-N 1 0 369.465 2.519 20 10 FFCDRO CCN1CC[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1=O ZINC001172048885 1011607764 /nfs/dbraw/zinc/60/77/64/1011607764.db2.gz JXJDPTJMEWELNQ-OAHLLOKOSA-N 1 0 371.403 2.718 20 10 FFCDRO CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)C1=O ZINC001275230076 1012111414 /nfs/dbraw/zinc/11/14/14/1012111414.db2.gz UZDGVKBHTBQRQM-LJQANCHMSA-N 1 0 366.408 2.668 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001275241905 1012128375 /nfs/dbraw/zinc/12/83/75/1012128375.db2.gz MDQKOSSMXSXRQO-UHFFFAOYSA-N 1 0 352.434 2.911 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1 ZINC001275254351 1012144949 /nfs/dbraw/zinc/14/49/49/1012144949.db2.gz PILPXXHGGDUNPO-GOSISDBHSA-N 1 0 354.397 2.623 20 10 FFCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172955646 1012160781 /nfs/dbraw/zinc/16/07/81/1012160781.db2.gz WFJYRQDRUQNFOZ-LBPRGKRZSA-N 1 0 354.447 2.581 20 10 FFCDRO CCSC[C@@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001173291063 1012436502 /nfs/dbraw/zinc/43/65/02/1012436502.db2.gz KDUFKROWWORHGG-QGZVFWFLSA-N 1 0 351.560 2.939 20 10 FFCDRO CCCN(CC[NH+]1CCCC1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796377556 1012480136 /nfs/dbraw/zinc/48/01/36/1012480136.db2.gz GOVWHWSZSORRLR-UHFFFAOYSA-N 1 0 360.546 2.519 20 10 FFCDRO CCN1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2ccc(OC)cc2)C3)C1 ZINC001173356487 1012484574 /nfs/dbraw/zinc/48/45/74/1012484574.db2.gz BAZSMYIMFNGCIQ-RBBKRZOGSA-N 1 0 373.541 2.708 20 10 FFCDRO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000870896767 1012623081 /nfs/dbraw/zinc/62/30/81/1012623081.db2.gz NSBUDPPMSBXENF-ZNMIVQPWSA-N 1 0 367.440 2.891 20 10 FFCDRO CN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001275580105 1012641610 /nfs/dbraw/zinc/64/16/10/1012641610.db2.gz UPWBXLGTSPOSEC-DYESRHJHSA-N 1 0 352.434 2.546 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)CN1CC(F)(F)F ZINC001275580120 1012641981 /nfs/dbraw/zinc/64/19/81/1012641981.db2.gz URGINUKEXFPKDX-UHFFFAOYSA-N 1 0 372.387 2.865 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)cc1 ZINC001275596725 1012671359 /nfs/dbraw/zinc/67/13/59/1012671359.db2.gz BSOYZXOADSJTMS-HZPDHXFCSA-N 1 0 355.404 2.880 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001275771014 1012987804 /nfs/dbraw/zinc/98/78/04/1012987804.db2.gz JYOWXESOJAVMJG-IERDGZPVSA-N 1 0 358.482 2.944 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924751443 1017462700 /nfs/dbraw/zinc/46/27/00/1017462700.db2.gz KQUHZQLFYJQPEK-KRWDZBQOSA-N 1 0 363.465 2.955 20 10 FFCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000827141950 1017509822 /nfs/dbraw/zinc/50/98/22/1017509822.db2.gz ZIOSGAGAMPGKGB-DLBZAZTESA-N 1 0 372.469 2.686 20 10 FFCDRO CCCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000827194598 1017893298 /nfs/dbraw/zinc/89/32/98/1017893298.db2.gz NYYOGUBRLNFAPF-MJGOQNOKSA-N 1 0 374.529 2.647 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000926874239 1018276093 /nfs/dbraw/zinc/27/60/93/1018276093.db2.gz RNTQIITTXPNTCK-TZIWHRDSSA-N 1 0 371.525 2.683 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc(OC)c1O ZINC000827662167 1018602358 /nfs/dbraw/zinc/60/23/58/1018602358.db2.gz MGXZMKHVQQLQHN-UHFFFAOYSA-N 1 0 372.465 2.660 20 10 FFCDRO COC(=O)c1oc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C ZINC000827662205 1018602787 /nfs/dbraw/zinc/60/27/87/1018602787.db2.gz NPXFFPZNFHZXSA-UHFFFAOYSA-N 1 0 358.438 2.626 20 10 FFCDRO CCCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1O ZINC000801596673 1019157525 /nfs/dbraw/zinc/15/75/25/1019157525.db2.gz JMVRPSDOWHTIPS-UHFFFAOYSA-N 1 0 359.514 2.737 20 10 FFCDRO CCOC(=O)[C@H]1CC2(CN1Cc1cc(Cl)cc(C)c1O)CC[NH2+]CC2 ZINC001222230609 1032840610 /nfs/dbraw/zinc/84/06/10/1032840610.db2.gz BIMFXVQDJMBSML-MRXNPFEDSA-N 1 0 366.889 2.861 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000802142255 1019803556 /nfs/dbraw/zinc/80/35/56/1019803556.db2.gz SZBMNCIWTPLIDP-GOSISDBHSA-N 1 0 363.502 2.815 20 10 FFCDRO CN(C)c1ccc([C@@H](CN2C(=O)[C@@H]3CCCCCN3C2=O)[NH+](C)C)cc1 ZINC000900184747 1020248523 /nfs/dbraw/zinc/24/85/23/1020248523.db2.gz GBGMDKBPXQCAAW-ZWKOTPCHSA-N 1 0 358.486 2.562 20 10 FFCDRO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(CN3CCNC3=O)CC2)c1 ZINC000902584732 1020308823 /nfs/dbraw/zinc/30/88/23/1020308823.db2.gz PJVKQYVSJOYABA-UHFFFAOYSA-N 1 0 361.486 2.633 20 10 FFCDRO CC(C)n1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000931244940 1020388357 /nfs/dbraw/zinc/38/83/57/1020388357.db2.gz BVAVGNDONZEGDE-KRWDZBQOSA-N 1 0 358.490 2.954 20 10 FFCDRO C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(N2CCOCC2)cc1 ZINC000900386672 1020395760 /nfs/dbraw/zinc/39/57/60/1020395760.db2.gz BYMCLZPEANFKBO-PWIZWCRZSA-N 1 0 357.498 2.717 20 10 FFCDRO CN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1CO ZINC000931405606 1020454148 /nfs/dbraw/zinc/45/41/48/1020454148.db2.gz DOUZNUHQCDGZNN-LJQANCHMSA-N 1 0 367.453 2.649 20 10 FFCDRO COC(=O)C1=C[C@@H](OCc2ccc(N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001217928924 1032907765 /nfs/dbraw/zinc/90/77/65/1032907765.db2.gz CUKUFSDAIPVOLO-HXUWFJFHSA-N 1 0 352.434 2.769 20 10 FFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900754014 1020631258 /nfs/dbraw/zinc/63/12/58/1020631258.db2.gz HLROZYBSCNMQPO-NHCUHLMSSA-N 1 0 371.525 2.528 20 10 FFCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903087664 1020671084 /nfs/dbraw/zinc/67/10/84/1020671084.db2.gz GEDDFJWATCZLJI-MJGOQNOKSA-N 1 0 368.424 2.794 20 10 FFCDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217979295 1032929798 /nfs/dbraw/zinc/92/97/98/1032929798.db2.gz FTMRIIUTRIQMCI-WMLDXEAASA-N 1 0 369.392 2.945 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000749557918 1021006087 /nfs/dbraw/zinc/00/60/87/1021006087.db2.gz HBBFAQURNOTQNS-HQRMLTQVSA-N 1 0 374.529 2.756 20 10 FFCDRO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000778216409 1021143562 /nfs/dbraw/zinc/14/35/62/1021143562.db2.gz BJJPYJCGXYILNB-UHFFFAOYSA-N 1 0 369.440 2.923 20 10 FFCDRO O=C1c2cccc(O[C@H]3CC[NH2+]CC[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218020863 1032959280 /nfs/dbraw/zinc/95/92/80/1032959280.db2.gz WHJPXDWZYZRFKV-ZFWWWQNUSA-N 1 0 355.365 2.637 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934336068 1021199854 /nfs/dbraw/zinc/19/98/54/1021199854.db2.gz YGLUYMGYANSHBN-QGZVFWFLSA-N 1 0 372.538 2.732 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCCCCC1 ZINC000074504817 1021451768 /nfs/dbraw/zinc/45/17/68/1021451768.db2.gz FKBRJHWJBAUZOC-INIZCTEOSA-N 1 0 363.477 2.543 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)Cc1ccccc1C)cc2=O ZINC000113172941 1021813631 /nfs/dbraw/zinc/81/36/31/1021813631.db2.gz AGZAHFIBFAPDIJ-UHFFFAOYSA-N 1 0 368.437 2.942 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)cc2F)CC1 ZINC001118248533 1022142092 /nfs/dbraw/zinc/14/20/92/1022142092.db2.gz YMZHFHQLPNGXKW-OAQYLSRUSA-N 1 0 361.505 2.872 20 10 FFCDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC001118383960 1022206318 /nfs/dbraw/zinc/20/63/18/1022206318.db2.gz LQBVHCMALYXPQM-GOSISDBHSA-N 1 0 372.534 2.951 20 10 FFCDRO CC[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001276781200 1033099948 /nfs/dbraw/zinc/09/99/48/1033099948.db2.gz VATFXDXBLMEJRT-CQSZACIVSA-N 1 0 362.470 2.807 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C3CC3)C3CCCC3)CC2)cc1 ZINC000754031048 1023417823 /nfs/dbraw/zinc/41/78/23/1023417823.db2.gz QOUWMIGXIJCDKZ-NRFANRHFSA-N 1 0 373.541 2.585 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[C@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218401854 1033140216 /nfs/dbraw/zinc/14/02/16/1033140216.db2.gz IVAZQUHNQATGMX-AAEUAGOBSA-N 1 0 351.402 2.995 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@](C)(CO)C2CCCCC2)cc1 ZINC000077655650 1023651570 /nfs/dbraw/zinc/65/15/70/1023651570.db2.gz BBBMFSKQDYGMTE-OAQYLSRUSA-N 1 0 361.530 2.632 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000756837059 1023757771 /nfs/dbraw/zinc/75/77/71/1023757771.db2.gz FKXSOZMUEBNYNM-BIENJYKASA-N 1 0 368.481 2.849 20 10 FFCDRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000078477656 1023849489 /nfs/dbraw/zinc/84/94/89/1023849489.db2.gz FFONORNHUFSHBW-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000757793716 1023861557 /nfs/dbraw/zinc/86/15/57/1023861557.db2.gz AXOWRAIALRIWNC-QRWLVFNGSA-N 1 0 356.514 2.909 20 10 FFCDRO Cc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000779442924 1023871144 /nfs/dbraw/zinc/87/11/44/1023871144.db2.gz DPSBMBKJYYARMM-UHFFFAOYSA-N 1 0 373.472 2.810 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001121945560 1024192449 /nfs/dbraw/zinc/19/24/49/1024192449.db2.gz GLMAFYMNCBXMAT-POAQFYNOSA-N 1 0 359.514 2.506 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079458763 1024271843 /nfs/dbraw/zinc/27/18/43/1024271843.db2.gz TYJGLFREUDHYLC-KRWDZBQOSA-N 1 0 374.554 2.523 20 10 FFCDRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141159124 1025541157 /nfs/dbraw/zinc/54/11/57/1025541157.db2.gz ZZMKHSREPQBSHJ-QFIPXVFZSA-N 1 0 364.445 2.998 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001141159043 1025541527 /nfs/dbraw/zinc/54/15/27/1025541527.db2.gz XBECALJRXAHHPI-SFHLNBCPSA-N 1 0 370.449 2.832 20 10 FFCDRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141160043 1025542230 /nfs/dbraw/zinc/54/22/30/1025542230.db2.gz PCZODSHIHVIADK-UHFFFAOYSA-N 1 0 373.478 2.683 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C)C1 ZINC000246500609 1026205023 /nfs/dbraw/zinc/20/50/23/1026205023.db2.gz SOBGOHCHZZAQAE-FXAWDEMLSA-N 1 0 356.514 2.935 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000838913675 1026535178 /nfs/dbraw/zinc/53/51/78/1026535178.db2.gz KPSFWIFEPRPUFP-AWEZNQCLSA-N 1 0 354.454 2.747 20 10 FFCDRO COc1cccc(O)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146336 1026605650 /nfs/dbraw/zinc/60/56/50/1026605650.db2.gz CZHJUXOKDOVQHN-UHFFFAOYSA-N 1 0 364.392 2.805 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000839538363 1026721101 /nfs/dbraw/zinc/72/11/01/1026721101.db2.gz BDKXFTJILCHRAT-GFCCVEGCSA-N 1 0 358.394 2.809 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000839543213 1026724926 /nfs/dbraw/zinc/72/49/26/1026724926.db2.gz YMAYQJZEWPOWRF-INIZCTEOSA-N 1 0 373.522 2.894 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000840485394 1027090580 /nfs/dbraw/zinc/09/05/80/1027090580.db2.gz SMCHYBUONIZPGN-UTKZUKDTSA-N 1 0 358.530 2.729 20 10 FFCDRO CC(C)OCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126299 1027227212 /nfs/dbraw/zinc/22/72/12/1027227212.db2.gz UIAOKUYEGYPONA-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000795638105 1027342581 /nfs/dbraw/zinc/34/25/81/1027342581.db2.gz NDYOALMREFROJE-OAQYLSRUSA-N 1 0 371.433 2.713 20 10 FFCDRO COc1cc2c(cc1Nc1ccc3c(c1)CCCN3)NC(=O)[C@]21CC[NH2+]C1 ZINC001160363362 1027685978 /nfs/dbraw/zinc/68/59/78/1027685978.db2.gz UYNSJWRHQRWMIK-NRFANRHFSA-N 1 0 364.449 2.980 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cocn3)C[C@H]2C)cc1C ZINC001103994836 1028459394 /nfs/dbraw/zinc/45/93/94/1028459394.db2.gz RMSYGWBHBFOAMM-NVXWUHKLSA-N 1 0 357.454 2.880 20 10 FFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1C ZINC001162394224 1028529733 /nfs/dbraw/zinc/52/97/33/1028529733.db2.gz CRRYYRWRJKBQAC-RBUKOAKNSA-N 1 0 360.498 2.662 20 10 FFCDRO NC(=O)c1cccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155631273 1028826338 /nfs/dbraw/zinc/82/63/38/1028826338.db2.gz WBPWJLDKKCZWLK-QFHJOOASSA-N 1 0 352.482 2.580 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc4c(n3)COC4)CC2)cc1 ZINC001164330234 1029246875 /nfs/dbraw/zinc/24/68/75/1029246875.db2.gz NKKJHWISGSBKOG-UHFFFAOYSA-N 1 0 368.481 2.745 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nccc4nc[nH]c43)CC2)cc1 ZINC001164330512 1029248392 /nfs/dbraw/zinc/24/83/92/1029248392.db2.gz WTSXGQBJKPWFRU-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841041205 1029996409 /nfs/dbraw/zinc/99/64/09/1029996409.db2.gz BVFIIJVAOZGMDA-HXUWFJFHSA-N 1 0 372.488 2.518 20 10 FFCDRO Cc1nn(C)c2nc(Cl)c(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000841044848 1029998433 /nfs/dbraw/zinc/99/84/33/1029998433.db2.gz ZDWIYZALTREXKK-KRWDZBQOSA-N 1 0 372.904 2.786 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(N)cc3)cc2F)CC1 ZINC000841299637 1030169490 /nfs/dbraw/zinc/16/94/90/1030169490.db2.gz GURJXBSVMYEZRG-UHFFFAOYSA-N 1 0 371.460 2.872 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000783852573 1030306597 /nfs/dbraw/zinc/30/65/97/1030306597.db2.gz WZQNGMUMQIFCLP-UHFFFAOYSA-N 1 0 355.482 2.855 20 10 FFCDRO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000841742689 1030440668 /nfs/dbraw/zinc/44/06/68/1030440668.db2.gz ZXSSMVAIOBNRCE-KRWDZBQOSA-N 1 0 374.529 2.615 20 10 FFCDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000841832348 1030494049 /nfs/dbraw/zinc/49/40/49/1030494049.db2.gz MGHRQFQAGYDRCK-FQEVSTJZSA-N 1 0 368.525 2.982 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000841848660 1030499908 /nfs/dbraw/zinc/49/99/08/1030499908.db2.gz VARIYYZXHZFMTN-QGZVFWFLSA-N 1 0 370.522 2.920 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000841855946 1030505604 /nfs/dbraw/zinc/50/56/04/1030505604.db2.gz KALUJZROOURMCU-HZPDHXFCSA-N 1 0 370.522 2.778 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000784574368 1030693770 /nfs/dbraw/zinc/69/37/70/1030693770.db2.gz ZGVGAYLQSMJKJR-HOTGVXAUSA-N 1 0 369.456 2.567 20 10 FFCDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cc2[nH]1 ZINC000784615525 1030717575 /nfs/dbraw/zinc/71/75/75/1030717575.db2.gz CAOQYIZASRLDIQ-UHFFFAOYSA-N 1 0 356.401 2.534 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001203552511 1030761728 /nfs/dbraw/zinc/76/17/28/1030761728.db2.gz NEWFQADBJFSLGO-GOSISDBHSA-N 1 0 360.408 2.920 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCc3ncnc(N(C)CC)c3CC2)c1O ZINC001203607870 1030783260 /nfs/dbraw/zinc/78/32/60/1030783260.db2.gz BVJOIMIKOINRPX-UHFFFAOYSA-N 1 0 356.470 2.638 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c(O)c1 ZINC001203630519 1030795636 /nfs/dbraw/zinc/79/56/36/1030795636.db2.gz UIJNWMWBJRDWFF-JXFKEZNVSA-N 1 0 374.412 2.747 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001203634596 1030798122 /nfs/dbraw/zinc/79/81/22/1030798122.db2.gz MXYJEKJQRRDKDZ-HXUWFJFHSA-N 1 0 356.466 2.734 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001203656473 1030809071 /nfs/dbraw/zinc/80/90/71/1030809071.db2.gz PKMBFMFRGFPSLX-LJQANCHMSA-N 1 0 374.872 2.565 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)CN1CC1CC1 ZINC001203659657 1030813632 /nfs/dbraw/zinc/81/36/32/1030813632.db2.gz WZAUTQYLAGAZPI-UHFFFAOYSA-N 1 0 364.873 2.649 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001203659662 1030813857 /nfs/dbraw/zinc/81/38/57/1030813857.db2.gz XBQLBPCUVWGIBT-HNAYVOBHSA-N 1 0 362.857 2.971 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)c1 ZINC001203672885 1030817067 /nfs/dbraw/zinc/81/70/67/1030817067.db2.gz HPTOTOUNVUHVGT-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000842670379 1030889619 /nfs/dbraw/zinc/88/96/19/1030889619.db2.gz QCCHIIABEKGJFM-SFHVURJKSA-N 1 0 369.513 2.531 20 10 FFCDRO Oc1ccc(CN2CCN(Cc3ccncc3)c3ncccc3C2)cc1O ZINC001203876782 1030950280 /nfs/dbraw/zinc/95/02/80/1030950280.db2.gz JDLPRKVLLQSWAK-UHFFFAOYSA-N 1 0 362.433 2.910 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)[C@H]1c1ccccc1 ZINC001203878068 1030951896 /nfs/dbraw/zinc/95/18/96/1030951896.db2.gz APYNQWALVWNKSD-LJQANCHMSA-N 1 0 352.434 2.893 20 10 FFCDRO CC(C)N(C)C(=O)c1noc2c1CN(Cc1ccc(N(C)C)cc1)CC2 ZINC001203931083 1030990544 /nfs/dbraw/zinc/99/05/44/1030990544.db2.gz BALKLOTYALGWKN-UHFFFAOYSA-N 1 0 356.470 2.779 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)cc1 ZINC001203934472 1030995690 /nfs/dbraw/zinc/99/56/90/1030995690.db2.gz ZPDXEHZHBLJQFG-NQIIRXRSSA-N 1 0 353.466 2.675 20 10 FFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]2CCCO[C@H]12 ZINC001204273750 1031198288 /nfs/dbraw/zinc/19/82/88/1031198288.db2.gz SYCKCFQMFYPAIJ-SCWSEQNSSA-N 1 0 372.465 2.802 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)N1Cc1ccncc1 ZINC001204274022 1031201517 /nfs/dbraw/zinc/20/15/17/1031201517.db2.gz YQONFLHORIIDLW-NRFANRHFSA-N 1 0 367.449 2.650 20 10 FFCDRO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204274177 1031202364 /nfs/dbraw/zinc/20/23/64/1031202364.db2.gz KQZHIUZZALPJKQ-GUYCJALGSA-N 1 0 356.397 2.583 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204327729 1031229836 /nfs/dbraw/zinc/22/98/36/1031229836.db2.gz GQQTWGMXRJVWLQ-NJDAHSKKSA-N 1 0 371.525 2.602 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204329679 1031232324 /nfs/dbraw/zinc/23/23/24/1031232324.db2.gz VMOWXYWLHRHPQS-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001204341583 1031237227 /nfs/dbraw/zinc/23/72/27/1031237227.db2.gz HGHKSMNCDDSUPZ-MRXNPFEDSA-N 1 0 370.243 2.835 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204341613 1031238420 /nfs/dbraw/zinc/23/84/20/1031238420.db2.gz IAQPWCYZODCAKA-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)cc(O)c1O ZINC001204348274 1031244981 /nfs/dbraw/zinc/24/49/81/1031244981.db2.gz ATFDTRJKKZRDJG-OAQYLSRUSA-N 1 0 369.417 2.948 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCOc1ccc(Cl)cc1 ZINC000843349594 1031342369 /nfs/dbraw/zinc/34/23/69/1031342369.db2.gz FQIJLSRCHYUUAT-UHFFFAOYSA-N 1 0 373.884 2.747 20 10 FFCDRO COc1ccc(CN(C)C(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350709 1031343039 /nfs/dbraw/zinc/34/30/39/1031343039.db2.gz XGCYOLNTQUKFTJ-UHFFFAOYSA-N 1 0 353.466 2.565 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000843487229 1031424883 /nfs/dbraw/zinc/42/48/83/1031424883.db2.gz BRBBPFRJHGXWPP-LVCYWYKZSA-N 1 0 359.514 2.634 20 10 FFCDRO Oc1cc(N2CC[NH2+]CC2)ccc1CN1Cc2ccccc2C(F)(F)C1 ZINC001204853982 1031453994 /nfs/dbraw/zinc/45/39/94/1031453994.db2.gz GGIRDWHQRNBJMN-UHFFFAOYSA-N 1 0 359.420 2.909 20 10 FFCDRO Nc1ccc2c(c1NC(=O)[C@@H]([NH3+])CC1CCC1)C(=O)c1ccccc1C2=O ZINC001219002463 1033453661 /nfs/dbraw/zinc/45/36/61/1033453661.db2.gz QMSMWXDTBWQCIT-INIZCTEOSA-N 1 0 363.417 2.500 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1F ZINC000831116495 1033954601 /nfs/dbraw/zinc/95/46/01/1033954601.db2.gz AYEKDFXSDHGGEE-LJQANCHMSA-N 1 0 356.445 2.659 20 10 FFCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000831123463 1033956306 /nfs/dbraw/zinc/95/63/06/1033956306.db2.gz SBUYRZANZMXTOF-STQMWFEESA-N 1 0 370.444 2.682 20 10 FFCDRO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138215726 1033966610 /nfs/dbraw/zinc/96/66/10/1033966610.db2.gz RMQVJHQTSLDVLW-IRXDYDNUSA-N 1 0 358.404 2.537 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c2ccccc2n1C ZINC001138257128 1034026468 /nfs/dbraw/zinc/02/64/68/1034026468.db2.gz XLKKESQDUBUEKP-JXFKEZNVSA-N 1 0 360.461 2.977 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000831322352 1034036938 /nfs/dbraw/zinc/03/69/38/1034036938.db2.gz VFLKBKCRVIHFRJ-SXLOBPIMSA-N 1 0 359.514 2.504 20 10 FFCDRO CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000831560876 1034125545 /nfs/dbraw/zinc/12/55/45/1034125545.db2.gz HBZFGJGKSAWUNH-FPOVZHCZSA-N 1 0 371.525 2.650 20 10 FFCDRO O=C(Cc1cscn1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000831561661 1034125748 /nfs/dbraw/zinc/12/57/48/1034125748.db2.gz RKMORRSGODIRCO-UHFFFAOYSA-N 1 0 370.522 2.534 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1)C1CC1 ZINC001138337466 1034168708 /nfs/dbraw/zinc/16/87/08/1034168708.db2.gz QPMPQSHDLYTETJ-UHFFFAOYSA-N 1 0 369.509 2.582 20 10 FFCDRO Cc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(C)n1-c1cccc(C)c1 ZINC000831683710 1034204788 /nfs/dbraw/zinc/20/47/88/1034204788.db2.gz ZAEIZTNLPAQXCD-FQEVSTJZSA-N 1 0 366.509 2.522 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000831749095 1034256323 /nfs/dbraw/zinc/25/63/23/1034256323.db2.gz XXTSIMSWHGWVEP-IAGOWNOFSA-N 1 0 359.514 2.664 20 10 FFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC001138496326 1034335200 /nfs/dbraw/zinc/33/52/00/1034335200.db2.gz NCVKULVNWVZPHE-PZJWPPBQSA-N 1 0 371.525 2.602 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C=O)ccc3OC)c2)CC1 ZINC001138500129 1034342303 /nfs/dbraw/zinc/34/23/03/1034342303.db2.gz FKGNVHAKUQMBBT-UHFFFAOYSA-N 1 0 367.449 2.902 20 10 FFCDRO CCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000832266825 1034688092 /nfs/dbraw/zinc/68/80/92/1034688092.db2.gz JHKRPRAVACHUIK-QGZVFWFLSA-N 1 0 356.426 2.653 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)nc2-c2cccs2)cc1 ZINC000832267616 1034689809 /nfs/dbraw/zinc/68/98/09/1034689809.db2.gz XTADOSBZGAUWEG-MRXNPFEDSA-N 1 0 369.494 2.644 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000832272470 1034694162 /nfs/dbraw/zinc/69/41/62/1034694162.db2.gz GATCADWIKHBCSR-SZVBFZGTSA-N 1 0 359.420 2.951 20 10 FFCDRO Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279262 1034697971 /nfs/dbraw/zinc/69/79/71/1034697971.db2.gz IAGSASNKSMDNLO-MRXNPFEDSA-N 1 0 368.437 2.668 20 10 FFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC001139413711 1035096804 /nfs/dbraw/zinc/09/68/04/1035096804.db2.gz YDKBEKYMKANNFV-GOSISDBHSA-N 1 0 369.513 2.763 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)ccc1N(C)C ZINC001139674289 1035195135 /nfs/dbraw/zinc/19/51/35/1035195135.db2.gz SJANRRRNZQPGCM-GOSISDBHSA-N 1 0 352.482 2.850 20 10 FFCDRO O=C1[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]2CN1Cc1cccc(F)c1 ZINC001140063119 1035327553 /nfs/dbraw/zinc/32/75/53/1035327553.db2.gz LCBKQJYSEPSGNF-MAUKXSAKSA-N 1 0 358.388 2.761 20 10 FFCDRO CCN1CC[C@]2(CCC[N@H+](Cc3c(O)cccc3Br)C2)C1=O ZINC001140099380 1035341494 /nfs/dbraw/zinc/34/14/94/1035341494.db2.gz DLVURHXXXZDCOA-KRWDZBQOSA-N 1 0 367.287 2.989 20 10 FFCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3Br)C2)N1 ZINC001140099838 1035342093 /nfs/dbraw/zinc/34/20/93/1035342093.db2.gz VMFXBFLNSPSGIP-INIZCTEOSA-N 1 0 353.260 2.789 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000834321034 1035362299 /nfs/dbraw/zinc/36/22/99/1035362299.db2.gz GFYYXEAILFOESL-OXQOHEQNSA-N 1 0 355.482 2.899 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)c1O ZINC001140179027 1035369986 /nfs/dbraw/zinc/36/99/86/1035369986.db2.gz FGKBYSDHPGJQBI-ROUUACIJSA-N 1 0 351.450 2.608 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)c1O ZINC001140181987 1035370734 /nfs/dbraw/zinc/37/07/34/1035370734.db2.gz ZDXRQHBHKIPNFV-CMKODMSKSA-N 1 0 372.509 2.858 20 10 FFCDRO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184924 1035371852 /nfs/dbraw/zinc/37/18/52/1035371852.db2.gz LDCPKUQSFWZSNQ-JKSUJKDBSA-N 1 0 357.454 2.962 20 10 FFCDRO OC1CCN(c2ccc(CN3CC[NH+](CC4CCCC4)CC3)cc2)CC1 ZINC001140285959 1035418869 /nfs/dbraw/zinc/41/88/69/1035418869.db2.gz GWESQBUPQFJPNY-UHFFFAOYSA-N 1 0 357.542 2.956 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C1CCC1 ZINC001140287530 1035419492 /nfs/dbraw/zinc/41/94/92/1035419492.db2.gz XKRLQDQVFBBEJP-LJQANCHMSA-N 1 0 371.525 2.528 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC12COC2 ZINC001140342400 1035445507 /nfs/dbraw/zinc/44/55/07/1035445507.db2.gz HTSBZTHURVZSOH-HNNXBMFYSA-N 1 0 368.861 2.771 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000835044347 1035492552 /nfs/dbraw/zinc/49/25/52/1035492552.db2.gz BFDDNDFKTWUHOI-PLNGDYQASA-N 1 0 352.482 2.787 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000835042126 1035492659 /nfs/dbraw/zinc/49/26/59/1035492659.db2.gz DFDJQFKUPOKUJH-WHLIDYPQSA-N 1 0 355.457 2.839 20 10 FFCDRO Clc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1N1CCOCC1 ZINC001232202830 1035498617 /nfs/dbraw/zinc/49/86/17/1035498617.db2.gz HNEHWXYCIGXKIW-MRXNPFEDSA-N 1 0 361.877 2.605 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203257 1035498713 /nfs/dbraw/zinc/49/87/13/1035498713.db2.gz RHGYJJBYBOVUPV-GDBMZVCRSA-N 1 0 366.889 2.808 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232259874 1035531711 /nfs/dbraw/zinc/53/17/11/1035531711.db2.gz LWTUPZWHCOTZMZ-YWZLYKJASA-N 1 0 372.852 2.857 20 10 FFCDRO COC1CC[NH+](C2CCN(Cc3cc(Cl)c(O)cc3O)CC2)CC1 ZINC001232262245 1035534071 /nfs/dbraw/zinc/53/40/71/1035534071.db2.gz ADYBMOPTRXVUNM-UHFFFAOYSA-N 1 0 354.878 2.826 20 10 FFCDRO Cc1cc(CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(C)n1-c1ccccc1 ZINC001140510318 1035538397 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COC(=O)c1c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c2ccccc2n1C ZINC001232410727 1035659051 /nfs/dbraw/zinc/65/90/51/1035659051.db2.gz QYDKAAXZQYIORU-PKOBYXMFSA-N 1 0 373.472 2.973 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1 ZINC001140619407 1035741794 /nfs/dbraw/zinc/74/17/94/1035741794.db2.gz CJRAXDOIUFCGMD-JOCHJYFZSA-N 1 0 365.477 2.624 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC001140620322 1035744453 /nfs/dbraw/zinc/74/44/53/1035744453.db2.gz JWXBDIKRTIXAFN-NRFANRHFSA-N 1 0 368.481 2.610 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC001140620288 1035746278 /nfs/dbraw/zinc/74/62/78/1035746278.db2.gz IZCSHFKPQXRDPW-TZIWHRDSSA-N 1 0 354.450 2.761 20 10 FFCDRO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1Cc1cc(C)ccc1O ZINC001140622241 1035748308 /nfs/dbraw/zinc/74/83/08/1035748308.db2.gz ZEGDFAYREIGTTQ-GOSISDBHSA-N 1 0 356.470 2.714 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c1O ZINC001140744750 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2.618 20 10 FFCDRO CNC(=O)CN1CCCC12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233284946 1036492413 /nfs/dbraw/zinc/49/24/13/1036492413.db2.gz NIOBNPQHGNMNDT-UHFFFAOYSA-N 1 0 373.541 2.866 20 10 FFCDRO CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140950172 1036545264 /nfs/dbraw/zinc/54/52/64/1036545264.db2.gz UAWCUGRYCHWBSH-GOSISDBHSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(C)cc2O)cs1 ZINC001140950349 1036547776 /nfs/dbraw/zinc/54/77/76/1036547776.db2.gz QXHXPWDMHCDOCS-DLBZAZTESA-N 1 0 357.479 2.841 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c(O)c1 ZINC001140950357 1036548613 /nfs/dbraw/zinc/54/86/13/1036548613.db2.gz RDJDRKGMRTXRQT-NRFANRHFSA-N 1 0 351.450 2.720 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c(O)c1 ZINC001140950802 1036550955 /nfs/dbraw/zinc/55/09/55/1036550955.db2.gz JGNABWVPEJHPLC-UYAOXDASSA-N 1 0 364.445 2.850 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)CC2=O)cc1 ZINC001203082589 1036579995 /nfs/dbraw/zinc/57/99/95/1036579995.db2.gz MVEHLWOBBQIKSF-KRWDZBQOSA-N 1 0 352.434 2.915 20 10 FFCDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(O)c(O)cc4O)C3)CC2=O)s1 ZINC001233484520 1036653270 /nfs/dbraw/zinc/65/32/70/1036653270.db2.gz NMAANKNTSCPLKT-IBGZPJMESA-N 1 0 374.462 2.802 20 10 FFCDRO Oc1cc(O)c(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cc1O ZINC001233486660 1036656395 /nfs/dbraw/zinc/65/63/95/1036656395.db2.gz WXLFDQCBDZIOQC-SFHVURJKSA-N 1 0 354.450 2.999 20 10 FFCDRO COC[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)Cc2ncn(C)c21 ZINC001233746095 1036742462 /nfs/dbraw/zinc/74/24/62/1036742462.db2.gz UAFJZZSIRCRSKV-LBPRGKRZSA-N 1 0 371.359 2.770 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC001141028217 1036765891 /nfs/dbraw/zinc/76/58/91/1036765891.db2.gz GEZUMTACBIUPJK-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO COc1cc(O)c(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141029150 1036768316 /nfs/dbraw/zinc/76/83/16/1036768316.db2.gz KGNGGEMBOQCKRB-UHFFFAOYSA-N 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374.525 2.909 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC001231558258 1037681986 /nfs/dbraw/zinc/68/19/86/1037681986.db2.gz ZYRRHGZMGCDLDV-INIZCTEOSA-N 1 0 355.276 2.691 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)cc1OC ZINC001207735741 1037683309 /nfs/dbraw/zinc/68/33/09/1037683309.db2.gz PPKFYAKGINBKNB-TXEJJXNPSA-N 1 0 362.392 2.866 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(C(=O)[O-])ccc4O)C[C@@H]3C2)cc1 ZINC001231564287 1037686904 /nfs/dbraw/zinc/68/69/04/1037686904.db2.gz WHCQBVKNIJTAFF-PMACEKPBSA-N 1 0 366.461 2.963 20 10 FFCDRO O=C([O-])c1ccc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001231565500 1037689761 /nfs/dbraw/zinc/68/97/61/1037689761.db2.gz YVRGXPAQBMCVHQ-KDURUIRLSA-N 1 0 352.434 2.654 20 10 FFCDRO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231586518 1037704789 /nfs/dbraw/zinc/70/47/89/1037704789.db2.gz ISFGGCKTSKJFGZ-OAHLLOKOSA-N 1 0 352.438 2.903 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC001231590777 1037708125 /nfs/dbraw/zinc/70/81/25/1037708125.db2.gz HRQYAFMDXJYVEM-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1O ZINC001231593083 1037711289 /nfs/dbraw/zinc/71/12/89/1037711289.db2.gz YWRUBILJCJSVFU-PKOBYXMFSA-N 1 0 354.425 2.930 20 10 FFCDRO CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231594101 1037713593 /nfs/dbraw/zinc/71/35/93/1037713593.db2.gz YWDZZRYTAYCWDD-SFHVURJKSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c1O ZINC001231593403 1037715614 /nfs/dbraw/zinc/71/56/14/1037715614.db2.gz WBAOHABQDXWGBY-WIYYLYMNSA-N 1 0 367.449 2.715 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3O)C2)C1=O ZINC001277967659 1037735525 /nfs/dbraw/zinc/73/55/25/1037735525.db2.gz WOOCDJRDXQDSLJ-YCRPNKLZSA-N 1 0 358.482 2.918 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c(O)cc1O ZINC001231634873 1037754181 /nfs/dbraw/zinc/75/41/81/1037754181.db2.gz AVVSJDJYHILEFL-UHFFFAOYSA-N 1 0 365.433 2.977 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(O)cc1O ZINC001231634744 1037756503 /nfs/dbraw/zinc/75/65/03/1037756503.db2.gz RRDHGBGSROMELU-UHFFFAOYSA-N 1 0 355.394 2.570 20 10 FFCDRO COc1cc(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)c(O)cc1O ZINC001231636857 1037758046 /nfs/dbraw/zinc/75/80/46/1037758046.db2.gz ANUKXMPTUKTSRJ-UHFFFAOYSA-N 1 0 354.447 2.842 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(O)cc1O ZINC001231636064 1037759953 /nfs/dbraw/zinc/75/99/53/1037759953.db2.gz PXBHSHAXPOKQIO-UHFFFAOYSA-N 1 0 358.438 2.575 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(O)cc1O ZINC001231639738 1037762090 /nfs/dbraw/zinc/76/20/90/1037762090.db2.gz ILMKQSIFAGLLOQ-GFCCVEGCSA-N 1 0 368.231 2.512 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c(O)cc1O ZINC001231638748 1037762559 /nfs/dbraw/zinc/76/25/59/1037762559.db2.gz BGYCRUAMMIPLGR-UHFFFAOYSA-N 1 0 350.459 2.623 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c(O)cc1O ZINC001231640149 1037765209 /nfs/dbraw/zinc/76/52/09/1037765209.db2.gz PEFUMJKTICJPDD-UHFFFAOYSA-N 1 0 374.412 2.640 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC(F)F)C(=O)CO3)c(O)c1 ZINC001277975380 1037808629 /nfs/dbraw/zinc/80/86/29/1037808629.db2.gz DWIGRHQKZKSGFE-IBGZPJMESA-N 1 0 368.424 2.584 20 10 FFCDRO COC(=O)[C@@H](N)C1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001236067798 1037912770 /nfs/dbraw/zinc/91/27/70/1037912770.db2.gz PYKVRYSBMQCPNH-FQEVSTJZSA-N 1 0 355.482 2.806 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001231847619 1037945139 /nfs/dbraw/zinc/94/51/39/1037945139.db2.gz AOYPVUXKUORUHQ-HOTGVXAUSA-N 1 0 364.383 2.989 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Oc2nccnc2C)C1 ZINC001231857719 1037955442 /nfs/dbraw/zinc/95/54/42/1037955442.db2.gz NWTMGAXMAWXORQ-GOSISDBHSA-N 1 0 356.470 2.903 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001231858440 1037956314 /nfs/dbraw/zinc/95/63/14/1037956314.db2.gz WCLUTEHJWFBLIL-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001208099081 1038029951 /nfs/dbraw/zinc/02/99/51/1038029951.db2.gz CNTJJCNGRASMIL-MRXNPFEDSA-N 1 0 350.459 2.850 20 10 FFCDRO CCOC(=O)CN(CCC[NH3+])Cc1ccc(OCc2ccccc2)cc1O ZINC001236304061 1038033245 /nfs/dbraw/zinc/03/32/45/1038033245.db2.gz SIKBTZJWJZJECK-UHFFFAOYSA-N 1 0 372.465 2.685 20 10 FFCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OCC(F)(F)F)cc2O)C1=O ZINC001277983194 1038090964 /nfs/dbraw/zinc/09/09/64/1038090964.db2.gz JGWLTPDPPPUAHK-MRXNPFEDSA-N 1 0 358.360 2.530 20 10 FFCDRO COC(=O)c1c(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c2ccccc2n1C ZINC001236599810 1038148182 /nfs/dbraw/zinc/14/81/82/1038148182.db2.gz DQQYJLCTUFPXPE-OAHLLOKOSA-N 1 0 355.482 2.929 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)cc1OC ZINC001236751140 1038238410 /nfs/dbraw/zinc/23/84/10/1038238410.db2.gz CLNWCPMYQMMDGD-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)cc1Br ZINC001236757642 1038245348 /nfs/dbraw/zinc/24/53/48/1038245348.db2.gz VWGTWYATHMLRQM-AGCIHXOGSA-N 1 0 354.244 2.773 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(O)c(Br)cc3O)C2)o1 ZINC001236761191 1038247165 /nfs/dbraw/zinc/24/71/65/1038247165.db2.gz CAVLQELCCHKDGH-SNVBAGLBSA-N 1 0 368.231 2.931 20 10 FFCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(O)c(Br)cc3O)C2)n1 ZINC001236762684 1038249235 /nfs/dbraw/zinc/24/92/35/1038249235.db2.gz QBYPMVKTMIHVEX-VIFPVBQESA-N 1 0 354.204 2.541 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)c(O)c1 ZINC001236788905 1038268211 /nfs/dbraw/zinc/26/82/11/1038268211.db2.gz WZJUIVCDQGEUDV-GGPKGHCWSA-N 1 0 372.509 2.708 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c(Cl)c1 ZINC001236796217 1038275192 /nfs/dbraw/zinc/27/51/92/1038275192.db2.gz CXLKTSBUILUOQG-CQSZACIVSA-N 1 0 352.862 2.745 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3c(O)cc(OC)cc3Cl)C[C@@H]2C)C1=O ZINC001236797286 1038276197 /nfs/dbraw/zinc/27/61/97/1038276197.db2.gz LBGHNDWKLUNRJD-SGTLLEGYSA-N 1 0 352.862 2.745 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c(Cl)c1 ZINC001236797519 1038277168 /nfs/dbraw/zinc/27/71/68/1038277168.db2.gz ODWDSQVQVZHAIC-GOSISDBHSA-N 1 0 360.845 2.699 20 10 FFCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c(O)c1 ZINC001236811499 1038287052 /nfs/dbraw/zinc/28/70/52/1038287052.db2.gz PVSBVFFECKWOII-IYBDPMFKSA-N 1 0 372.490 2.975 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)CN1c1cncnc1 ZINC001236842477 1038304894 /nfs/dbraw/zinc/30/48/94/1038304894.db2.gz VNPOYWCCMLUPET-QFIPXVFZSA-N 1 0 374.444 2.964 20 10 FFCDRO CCCN(Cc1c(O)cc(OC)cc1Br)C[C@H]1CC[NH2+]C1 ZINC001236845186 1038306991 /nfs/dbraw/zinc/30/69/91/1038306991.db2.gz ZLIKREITMOSDPE-LBPRGKRZSA-N 1 0 357.292 2.985 20 10 FFCDRO O=C1C[C@@]2(CN1C1COC1)CCCC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278025210 1038343259 /nfs/dbraw/zinc/34/32/59/1038343259.db2.gz NWFFMVBQMLATQL-GOSISDBHSA-N 1 0 368.836 2.541 20 10 FFCDRO O[C@]1(CF)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236918147 1038354402 /nfs/dbraw/zinc/35/44/02/1038354402.db2.gz AGXUSURUDRTDHY-SFHVURJKSA-N 1 0 356.869 2.863 20 10 FFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921300 1038356420 /nfs/dbraw/zinc/35/64/20/1038356420.db2.gz CNYHMZOUVDUQOM-HOCLYGCPSA-N 1 0 366.889 2.808 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4c(O)cccc4C3)c(F)c2)CC1 ZINC001236929234 1038360522 /nfs/dbraw/zinc/36/05/22/1038360522.db2.gz BWLZDOMPVGLLTH-UHFFFAOYSA-N 1 0 355.457 2.841 20 10 FFCDRO FC(F)(F)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236980536 1038394622 /nfs/dbraw/zinc/39/46/22/1038394622.db2.gz IGNBRLLZMIPYBD-HNNXBMFYSA-N 1 0 363.811 2.513 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)c(O)c1 ZINC001237045227 1038422590 /nfs/dbraw/zinc/42/25/90/1038422590.db2.gz ZGPJXUBDJSJOKL-UHFFFAOYSA-N 1 0 370.449 2.884 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(O)c1 ZINC001237050888 1038422980 /nfs/dbraw/zinc/42/29/80/1038422980.db2.gz HGMDNBATKXWBEV-OALUTQOASA-N 1 0 368.481 2.643 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)c(O)c1 ZINC001237052065 1038425142 /nfs/dbraw/zinc/42/51/42/1038425142.db2.gz QLJHUWSGGNQPRE-VAMGGRTRSA-N 1 0 372.509 2.832 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237057471 1038427326 /nfs/dbraw/zinc/42/73/26/1038427326.db2.gz CAIUZZKZIXGDFY-UHFFFAOYSA-N 1 0 360.376 2.776 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCOC[C@@H]2CC2CC2)[NH+](C)C)cc1 ZINC001256236362 1038444186 /nfs/dbraw/zinc/44/41/86/1038444186.db2.gz GAJWHRLJPGGPOZ-VQTJNVASSA-N 1 0 374.529 2.566 20 10 FFCDRO O=C1CCCC2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)N1 ZINC001237113409 1038447431 /nfs/dbraw/zinc/44/74/31/1038447431.db2.gz WUGFUEWJIPDSQN-UHFFFAOYSA-N 1 0 358.360 2.926 20 10 FFCDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001256256368 1038456437 /nfs/dbraw/zinc/45/64/37/1038456437.db2.gz NDCOGXHQIYWVON-UMVBOHGHSA-N 1 0 364.442 2.594 20 10 FFCDRO COCCOc1ccc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001257224135 1038749722 /nfs/dbraw/zinc/74/97/22/1038749722.db2.gz PHIGSIQULFSAKM-UHFFFAOYSA-N 1 0 361.530 2.707 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CN(Cc4ccc[nH]4)CCO3)C2)c1 ZINC001278614942 1038815878 /nfs/dbraw/zinc/81/58/78/1038815878.db2.gz GEFDPKYTRBGQJI-OAQYLSRUSA-N 1 0 355.482 2.896 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCSC(C)(C)C2)[NH+](C)C)cc1 ZINC001251500549 1039157520 /nfs/dbraw/zinc/15/75/20/1039157520.db2.gz GZELNKPSFFRQGE-QGZVFWFLSA-N 1 0 364.559 2.892 20 10 FFCDRO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001276684141 1039549029 /nfs/dbraw/zinc/54/90/29/1039549029.db2.gz WQGZLYVWXQZXPI-KRWDZBQOSA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C4CCCC4)C3)C2)c1O ZINC001276684354 1039557282 /nfs/dbraw/zinc/55/72/82/1039557282.db2.gz XLSGBXSYPYZQDN-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CNC3CC[NH2+]CC3)n2)cc1 ZINC001247702297 1039904294 /nfs/dbraw/zinc/90/42/94/1039904294.db2.gz CTWFPKPIBPVIRF-UHFFFAOYSA-N 1 0 351.454 2.986 20 10 FFCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC001253846103 1040407555 /nfs/dbraw/zinc/40/75/55/1040407555.db2.gz YVBVNLFALMRRMZ-HNNXBMFYSA-N 1 0 366.255 2.993 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c(O)c1 ZINC001249173785 1040615609 /nfs/dbraw/zinc/61/56/09/1040615609.db2.gz WESHIVZCGZVPBL-UHFFFAOYSA-N 1 0 369.461 2.900 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)c(O)c1 ZINC001249173145 1040616555 /nfs/dbraw/zinc/61/65/55/1040616555.db2.gz REHOUGKXNPPKKV-UHFFFAOYSA-N 1 0 360.498 2.806 20 10 FFCDRO COc1ncnc2c1CC[N@H+](Cc1ccc3c(c1O)C=CC(C)(C)O3)CC2 ZINC001249237878 1040644838 /nfs/dbraw/zinc/64/48/38/1040644838.db2.gz QGYRCGSUPIDKFT-UHFFFAOYSA-N 1 0 367.449 2.976 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccccc2N2CCOCC2)no1)c1ccccc1O ZINC001249340054 1040690830 /nfs/dbraw/zinc/69/08/30/1040690830.db2.gz SPPZLURIHXAKFC-MRXNPFEDSA-N 1 0 366.421 2.521 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ncccc3C)CC2)cc1 ZINC001254453577 1040726816 /nfs/dbraw/zinc/72/68/16/1040726816.db2.gz JRMXHJKUVRBXMP-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001249726243 1040963617 /nfs/dbraw/zinc/96/36/17/1040963617.db2.gz YYAJNUPIFISUIE-MRXNPFEDSA-N 1 0 365.470 2.709 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)c(O)c1 ZINC001249725510 1040965141 /nfs/dbraw/zinc/96/51/41/1040965141.db2.gz PFSNHHAGKWRGOS-QGZVFWFLSA-N 1 0 351.443 2.725 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([N@@H+]1CCc3cccc(O)c3C1)CCO2 ZINC001254829674 1040988711 /nfs/dbraw/zinc/98/87/11/1040988711.db2.gz RYRZUDIYXFWCLF-MRXNPFEDSA-N 1 0 374.481 2.919 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001278552748 1041120021 /nfs/dbraw/zinc/12/00/21/1041120021.db2.gz YJAOFMDPXSTDRL-UHFFFAOYSA-N 1 0 356.426 2.737 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC001250829379 1041388266 /nfs/dbraw/zinc/38/82/66/1041388266.db2.gz HIELTLLGYCGNEH-CQSZACIVSA-N 1 0 370.218 2.823 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001263096366 1042100209 /nfs/dbraw/zinc/10/02/09/1042100209.db2.gz OQKFHOZOBOTFEO-SFHVURJKSA-N 1 0 359.539 2.636 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[NH2+]CCC12CCC2 ZINC001263096365 1042100377 /nfs/dbraw/zinc/10/03/77/1042100377.db2.gz OQKFHOZOBOTFEO-GOSISDBHSA-N 1 0 359.539 2.636 20 10 FFCDRO O=C(/C=C\c1cncc(F)c1)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001263228923 1042185864 /nfs/dbraw/zinc/18/58/64/1042185864.db2.gz YOPQULXOXTUKSH-BGYNLAARSA-N 1 0 367.424 2.743 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001279127642 1042910623 /nfs/dbraw/zinc/91/06/23/1042910623.db2.gz BEIDUFYLEYUJPE-UHFFFAOYSA-N 1 0 362.514 2.818 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)c1O ZINC001279314885 1042996896 /nfs/dbraw/zinc/99/68/96/1042996896.db2.gz XWTJYYAFLUKOTI-HXUWFJFHSA-N 1 0 356.470 2.617 20 10 FFCDRO COCCOCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1 ZINC001279338430 1043011411 /nfs/dbraw/zinc/01/14/11/1043011411.db2.gz LBMMJEDOFHCGOF-OAQYLSRUSA-N 1 0 362.514 2.999 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(O)cccc2Cl)c1 ZINC001237444025 1043169378 /nfs/dbraw/zinc/16/93/78/1043169378.db2.gz NTIVYAIFZZNDFI-QGZVFWFLSA-N 1 0 360.841 2.979 20 10 FFCDRO [O-]c1c(F)cccc1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279528706 1043228408 /nfs/dbraw/zinc/22/84/08/1043228408.db2.gz GYFCLSVAVFSWIV-UHFFFAOYSA-N 1 0 358.461 2.716 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1Br ZINC001237684105 1043311119 /nfs/dbraw/zinc/31/11/19/1043311119.db2.gz GXIVGNPYMWBWHE-ZDUSSCGKSA-N 1 0 351.248 2.892 20 10 FFCDRO C[C@@H]1CN(Cc2cccc(I)c2O)C[C@H](C)[N@H+]1C ZINC001237781490 1043353516 /nfs/dbraw/zinc/35/35/16/1043353516.db2.gz XERNHBJJFCXGHQ-PHIMTYICSA-N 1 0 360.239 2.521 20 10 FFCDRO C[NH+]1CCC2(CC1)CN(Cc1cc(O)c(O)c(O)c1)Cc1ccccc12 ZINC001279682548 1043460259 /nfs/dbraw/zinc/46/02/59/1043460259.db2.gz SNOYQOFDBCSAEA-UHFFFAOYSA-N 1 0 354.450 2.783 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)c1O ZINC001238066804 1043512924 /nfs/dbraw/zinc/51/29/24/1043512924.db2.gz LMESXNAUYPMBKA-AWEZNQCLSA-N 1 0 352.406 2.855 20 10 FFCDRO CCC(C)(C)CCS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001309806437 1043535057 /nfs/dbraw/zinc/53/50/57/1043535057.db2.gz TTXKTTZXNVLVLW-UHFFFAOYSA-N 1 0 367.559 2.684 20 10 FFCDRO O=C(C1=CC2(CC1)CC[NH+](Cc1ccc(O)c(O)c1)CC2)N1CC=CC1 ZINC001279728243 1043541625 /nfs/dbraw/zinc/54/16/25/1043541625.db2.gz YXFHTLPLPKHSIZ-UHFFFAOYSA-N 1 0 354.450 2.799 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(F)(C4CC4)C3)C2)cc1 ZINC001279742990 1043570590 /nfs/dbraw/zinc/57/05/90/1043570590.db2.gz FNLZAVCHTZLONO-GOSISDBHSA-N 1 0 357.473 2.535 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)cc1 ZINC001279743737 1043572405 /nfs/dbraw/zinc/57/24/05/1043572405.db2.gz MVQGBTSFUGBTKR-LJQANCHMSA-N 1 0 357.498 2.909 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000756309000 1043578800 /nfs/dbraw/zinc/57/88/00/1043578800.db2.gz OHBFKTYFWJBICU-FQEVSTJZSA-N 1 0 367.493 2.787 20 10 FFCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)c(C)c1 ZINC001279768752 1043612192 /nfs/dbraw/zinc/61/21/92/1043612192.db2.gz NZEFFTIBLNKNFK-NRFANRHFSA-N 1 0 359.514 2.774 20 10 FFCDRO O=C([C@H]1CCSC12C[NH+](Cc1ccc(O)cc1O)C2)N1CCCC12CC2 ZINC001279845563 1043764245 /nfs/dbraw/zinc/76/42/45/1043764245.db2.gz LYNQZXFTQMDOBG-MRXNPFEDSA-N 1 0 374.506 2.560 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CC=CC3)C2)c1O ZINC001279982039 1044032429 /nfs/dbraw/zinc/03/24/29/1044032429.db2.gz UDCJSJKLWNIMJD-UTKZUKDTSA-N 1 0 356.466 2.791 20 10 FFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2)N1CC=CC1 ZINC001280023941 1044100222 /nfs/dbraw/zinc/10/02/22/1044100222.db2.gz UNEKFMVYQPBSGF-YXYSEUPNSA-N 1 0 352.478 2.914 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001280028785 1044106154 /nfs/dbraw/zinc/10/61/54/1044106154.db2.gz YGENOMFQTFIMPZ-FQEVSTJZSA-N 1 0 366.477 2.748 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001280034653 1044112808 /nfs/dbraw/zinc/11/28/08/1044112808.db2.gz CCVQCVGWZBHXBT-IIBYNOLFSA-N 1 0 359.514 2.975 20 10 FFCDRO CCN(C(=O)[C@H]1COCCC12C[NH+](Cc1ccc(C)cc1O)C2)C(C)C ZINC001280046490 1044132507 /nfs/dbraw/zinc/13/25/07/1044132507.db2.gz LHGIVBRWEBBUKQ-GOSISDBHSA-N 1 0 360.498 2.796 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)Nc3nnco3)C2)c(O)c1 ZINC001280047228 1044136294 /nfs/dbraw/zinc/13/62/94/1044136294.db2.gz BUQDIIUSLFDFAE-DNVCBOLYSA-N 1 0 356.426 2.715 20 10 FFCDRO Cn1ccnc1NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001280292425 1044560282 /nfs/dbraw/zinc/56/02/82/1044560282.db2.gz KFGKBXAWOQJQEU-OAHLLOKOSA-N 1 0 358.417 2.506 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c1O ZINC001280347055 1044635682 /nfs/dbraw/zinc/63/56/82/1044635682.db2.gz YVTBOESIMFWJTN-NUJGCVRESA-N 1 0 360.498 2.903 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)N2CC=CC2)c1O ZINC001280349484 1044639915 /nfs/dbraw/zinc/63/99/15/1044639915.db2.gz IYBBBGRDZAEYTE-QGZVFWFLSA-N 1 0 358.507 2.715 20 10 FFCDRO CC[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318548409 1044742284 /nfs/dbraw/zinc/74/22/84/1044742284.db2.gz LFNSBWNXPAEXMA-QFUCXCTJSA-N 1 0 360.498 2.947 20 10 FFCDRO CC(C)C[NH+]1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001539302279 1070608348 /nfs/dbraw/zinc/60/83/48/1070608348.db2.gz MODHPVSXGLNYPT-UHFFFAOYSA-N 1 0 373.541 2.850 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319687812 1045240112 /nfs/dbraw/zinc/24/01/12/1045240112.db2.gz UQBRGWRJSIWVAL-UHFFFAOYSA-N 1 0 372.557 2.663 20 10 FFCDRO CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1OC ZINC001323285100 1045532375 /nfs/dbraw/zinc/53/23/75/1045532375.db2.gz BGLLQDYJWXEROA-QGZVFWFLSA-N 1 0 359.422 2.857 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)no1 ZINC001324213919 1045920927 /nfs/dbraw/zinc/92/09/27/1045920927.db2.gz QQHJGSCNPBWDMG-UHFFFAOYSA-N 1 0 356.470 2.752 20 10 FFCDRO CCOc1ccc(N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)cc1 ZINC001324533056 1046085676 /nfs/dbraw/zinc/08/56/76/1046085676.db2.gz LYXGFYSZBBLDQR-UHFFFAOYSA-N 1 0 354.454 2.631 20 10 FFCDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324923656 1046290716 /nfs/dbraw/zinc/29/07/16/1046290716.db2.gz CCHULTHNQBCHLK-UHFFFAOYSA-N 1 0 351.510 2.998 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@](C)(CO)C3CCCCC3)cc2F)CC1 ZINC001324924417 1046291371 /nfs/dbraw/zinc/29/13/71/1046291371.db2.gz PHKJSMQRFTVMLW-NRFANRHFSA-N 1 0 363.521 2.998 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001327181122 1047224113 /nfs/dbraw/zinc/22/41/13/1047224113.db2.gz NEGNVKWNJAJRQR-UHFFFAOYSA-N 1 0 365.477 2.693 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC001540459692 1070896673 /nfs/dbraw/zinc/89/66/73/1070896673.db2.gz SPOIPQVSFJNTFM-UHFFFAOYSA-N 1 0 361.530 2.850 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCc3ccccc32)[NH+](C)C)cc1 ZINC001289601060 1047708244 /nfs/dbraw/zinc/70/82/44/1047708244.db2.gz YWJYXJSXFMIIJG-NRFANRHFSA-N 1 0 366.509 2.534 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[NH2+]CCC34CCC4)cs2)cc1 ZINC001331393167 1047911164 /nfs/dbraw/zinc/91/11/64/1047911164.db2.gz ORMWQKMXHOWAGD-UHFFFAOYSA-N 1 0 356.495 2.674 20 10 FFCDRO Oc1cc(Br)ccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001331580303 1048018829 /nfs/dbraw/zinc/01/88/29/1048018829.db2.gz NENOPDJLDZRPTJ-UHFFFAOYSA-N 1 0 369.303 2.888 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(CC[NH3+])CC(F)(F)F)ccc21 ZINC001331993912 1048202200 /nfs/dbraw/zinc/20/22/00/1048202200.db2.gz JBKSDOOPAJBIDY-UHFFFAOYSA-N 1 0 371.403 2.868 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC001328593876 1048372956 /nfs/dbraw/zinc/37/29/56/1048372956.db2.gz OXMOFWDVDXGDFQ-IIDMSEBBSA-N 1 0 363.477 2.588 20 10 FFCDRO CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001329773711 1048904053 /nfs/dbraw/zinc/90/40/53/1048904053.db2.gz KTYPMGSULPGDPA-CYBMUJFWSA-N 1 0 355.429 2.761 20 10 FFCDRO COc1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC001333740824 1049095334 /nfs/dbraw/zinc/09/53/34/1049095334.db2.gz PNVNTBCRUACUFR-UHFFFAOYSA-N 1 0 354.447 2.802 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2F)CC1 ZINC001330532988 1049192968 /nfs/dbraw/zinc/19/29/68/1049192968.db2.gz JFDZGGNLYZHSKK-QFUCXCTJSA-N 1 0 361.505 2.703 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334158655 1049282060 /nfs/dbraw/zinc/28/20/60/1049282060.db2.gz ZNUKFXRCLCYFPE-YESZJQIVSA-N 1 0 362.493 2.763 20 10 FFCDRO COc1ccc(C[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1Cn1cccn1 ZINC001330777309 1049323524 /nfs/dbraw/zinc/32/35/24/1049323524.db2.gz JJKXRIFMTXMJGF-KRWDZBQOSA-N 1 0 370.497 2.678 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1n1ccnc1 ZINC001341604650 1050230862 /nfs/dbraw/zinc/23/08/62/1050230862.db2.gz LEAJPOYMRCOOFI-DYESRHJHSA-N 1 0 371.504 2.857 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340122693 1050528079 /nfs/dbraw/zinc/52/80/79/1050528079.db2.gz RETIAXWHBJDHCE-BFHYXJOUSA-N 1 0 353.260 2.644 20 10 FFCDRO O=C(CCCCC1CC[NH2+]CC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001342167663 1050761403 /nfs/dbraw/zinc/76/14/03/1050761403.db2.gz ZRZGHAHYNXSZFW-UHFFFAOYSA-N 1 0 373.541 2.824 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001340823714 1051166510 /nfs/dbraw/zinc/16/65/10/1051166510.db2.gz PKBJRLVPOZPOOD-UHFFFAOYSA-N 1 0 371.506 2.755 20 10 FFCDRO CC(=O)c1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001342706253 1051322978 /nfs/dbraw/zinc/32/29/78/1051322978.db2.gz BDVMCROYBHWZLH-NRFANRHFSA-N 1 0 367.493 2.917 20 10 FFCDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001343355401 1052181180 /nfs/dbraw/zinc/18/11/80/1052181180.db2.gz ZRGIQQBAJZNLNS-UHFFFAOYSA-N 1 0 359.493 2.605 20 10 FFCDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001307228115 1052273088 /nfs/dbraw/zinc/27/30/88/1052273088.db2.gz OMXUGPWLDUXFMV-INIZCTEOSA-N 1 0 360.462 2.900 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001308077975 1052401359 /nfs/dbraw/zinc/40/13/59/1052401359.db2.gz HZMFDFYETPSKMQ-FQEVSTJZSA-N 1 0 363.502 2.604 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](c3ccc(N(C)C)cc3)N(C)C)[C@H]2C1 ZINC001308970822 1052529071 /nfs/dbraw/zinc/52/90/71/1052529071.db2.gz CHUVIGKMUMGTAF-OMZCVMJRSA-N 1 0 359.514 2.533 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nccc(Cl)c3F)cc2)CC1 ZINC001335136799 1053229913 /nfs/dbraw/zinc/22/99/13/1053229913.db2.gz DWHAXBVOYAZGEJ-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC001335366984 1053317956 /nfs/dbraw/zinc/31/79/56/1053317956.db2.gz KKRGXKNPQKZFJV-RVWIWJKTSA-N 1 0 352.482 2.611 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001346836395 1053361558 /nfs/dbraw/zinc/36/15/58/1053361558.db2.gz PRJILXDENAWYLC-OAQYLSRUSA-N 1 0 373.541 2.632 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)COCc3cccs3)C2)cc1 ZINC001335458875 1053376864 /nfs/dbraw/zinc/37/68/64/1053376864.db2.gz DFWULWQYFNNRDM-NVXWUHKLSA-N 1 0 362.495 2.503 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001543233115 1071422627 /nfs/dbraw/zinc/42/26/27/1071422627.db2.gz DQVBQUMPAMLNPQ-BZUAXINKSA-N 1 0 365.493 2.643 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1O ZINC000848888733 1055304924 /nfs/dbraw/zinc/30/49/24/1055304924.db2.gz YUYRAYPWHZNRKC-UHFFFAOYSA-N 1 0 358.486 2.953 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1O ZINC000848898798 1055323745 /nfs/dbraw/zinc/32/37/45/1055323745.db2.gz YLAFFVFLBPOFDS-RTWAWAEBSA-N 1 0 354.494 2.927 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000848895967 1055323962 /nfs/dbraw/zinc/32/39/62/1055323962.db2.gz ZTDUWLYLCSFBHB-FNORWQNLSA-N 1 0 374.412 2.731 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1O ZINC000848900761 1055331331 /nfs/dbraw/zinc/33/13/31/1055331331.db2.gz PZVZBKKKTAHXIH-IBGZPJMESA-N 1 0 367.493 2.946 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847366960 1055614020 /nfs/dbraw/zinc/61/40/20/1055614020.db2.gz ZNQWAJUKCYPROS-UHFFFAOYSA-N 1 0 357.502 2.562 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC001357338657 1055869999 /nfs/dbraw/zinc/86/99/99/1055869999.db2.gz UQBJGUOCPLGKBK-HLAWJBBLSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000849321944 1056827021 /nfs/dbraw/zinc/82/70/21/1056827021.db2.gz NLTSDNPSTAMDHK-XLIONFOSSA-N 1 0 353.466 2.693 20 10 FFCDRO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001545632570 1071823331 /nfs/dbraw/zinc/82/33/31/1071823331.db2.gz PGFGCZVXZOCDPL-UOAMXJAYSA-N 1 0 366.889 2.797 20 10 FFCDRO O[C@@]1(CNCc2ccc3c(c2)CCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC001200702727 1059146532 /nfs/dbraw/zinc/14/65/32/1059146532.db2.gz FSUYJPNKHJKBBF-JOCHJYFZSA-N 1 0 352.478 2.738 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCCC1 ZINC001453735239 1059402840 /nfs/dbraw/zinc/40/28/40/1059402840.db2.gz NDQJYCVNYHKGQO-LJQANCHMSA-N 1 0 369.509 2.985 20 10 FFCDRO O=C(C1=CC(=O)CS1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001456439931 1060125133 /nfs/dbraw/zinc/12/51/33/1060125133.db2.gz VPIUCKHRPKYNAH-UHFFFAOYSA-N 1 0 360.479 2.818 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)C3CC4(C3)C[C@H]([NH3+])CCO4)cc2)CC1 ZINC001521475514 1060609279 /nfs/dbraw/zinc/60/92/79/1060609279.db2.gz AGCZFWKPUORUHP-GSVIPDFHSA-N 1 0 371.525 2.826 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC001461057523 1061198910 /nfs/dbraw/zinc/19/89/10/1061198910.db2.gz VDEWMRBPEMKTHF-UHFFFAOYSA-N 1 0 370.335 2.580 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(c3nnnn3C)CC2)c(C(F)(F)F)c1 ZINC001462556644 1061670968 /nfs/dbraw/zinc/67/09/68/1061670968.db2.gz MYLOHNKIYCKNDU-UHFFFAOYSA-N 1 0 368.407 2.675 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC001477823160 1061813270 /nfs/dbraw/zinc/81/32/70/1061813270.db2.gz HVSVHSVZCSFUFH-UYAOXDASSA-N 1 0 356.514 2.768 20 10 FFCDRO Cc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC001466604545 1063491241 /nfs/dbraw/zinc/49/12/41/1063491241.db2.gz JMYJFBIWBDXDGN-UHFFFAOYSA-N 1 0 369.509 2.979 20 10 FFCDRO CC[C@@H]1CO[C@@H](CC)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471190222 1064594919 /nfs/dbraw/zinc/59/49/19/1064594919.db2.gz GYRZLGMDMNMJPO-QUCCMNQESA-N 1 0 374.529 2.537 20 10 FFCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC001575927479 1078178743 /nfs/dbraw/zinc/17/87/43/1078178743.db2.gz YTJYCRVZIKFMLT-KXBFYZLASA-N 1 0 353.466 2.778 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnc(N(C)C)nc3)cc2F)C[C@H](C)O1 ZINC001473940529 1065424380 /nfs/dbraw/zinc/42/43/80/1065424380.db2.gz HJQHKNQTRMXCIA-GJZGRUSLSA-N 1 0 373.476 2.585 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CSCCS3)cc2F)CC1 ZINC001474042880 1065444995 /nfs/dbraw/zinc/44/49/95/1065444995.db2.gz QDUQRQDBZXCBJC-OAHLLOKOSA-N 1 0 355.548 2.516 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)CN1CCc2ccccc2C1 ZINC001474155383 1065464460 /nfs/dbraw/zinc/46/44/60/1065464460.db2.gz IJTYTPHKGBWOOK-OAQYLSRUSA-N 1 0 352.478 2.520 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC3(OCCO)CCCCC3)CC2)cc1 ZINC001474287677 1065484687 /nfs/dbraw/zinc/48/46/87/1065484687.db2.gz UMJKPGMLIRJGII-UHFFFAOYSA-N 1 0 362.514 2.965 20 10 FFCDRO COC(=O)c1c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc(F)ccc2n1C ZINC001474317320 1065493044 /nfs/dbraw/zinc/49/30/44/1065493044.db2.gz DDANBFXKOIVSMS-CABCVRRESA-N 1 0 359.445 2.773 20 10 FFCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474636718 1065567516 /nfs/dbraw/zinc/56/75/16/1065567516.db2.gz OZBIOAWYHPCPTK-IRLDBZIGSA-N 1 0 352.478 2.567 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)c1 ZINC001474650472 1065570433 /nfs/dbraw/zinc/57/04/33/1065570433.db2.gz QGDDYYMMYDFRPX-QZTJIDSGSA-N 1 0 366.527 2.998 20 10 FFCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)Cc1c(O)c(C)ncc1CO ZINC001474718028 1065589895 /nfs/dbraw/zinc/58/98/95/1065589895.db2.gz VYEPMHLFGIYTOA-UHFFFAOYSA-N 1 0 366.845 2.978 20 10 FFCDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC001474750356 1065596838 /nfs/dbraw/zinc/59/68/38/1065596838.db2.gz ZUTJZAIVWALTKT-CQSZACIVSA-N 1 0 368.275 2.637 20 10 FFCDRO C[C@H]1CN(c2nnc(C3CC3)n2CCCSc2nccs2)C[C@H]1[NH3+] ZINC001576828930 1078279126 /nfs/dbraw/zinc/27/91/26/1078279126.db2.gz NWECIPDJVQTQIV-WCQYABFASA-N 1 0 364.544 2.578 20 10 FFCDRO CS[C@@H](C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N(C)Cc1ccccc1O ZINC001579364203 1078621421 /nfs/dbraw/zinc/62/14/21/1078621421.db2.gz NYMSRDUIQARPGY-ZFWWWQNUSA-N 1 0 361.515 2.796 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC001579589909 1078647040 /nfs/dbraw/zinc/64/70/40/1078647040.db2.gz QWONXWAVJLDBGO-OAQYLSRUSA-N 1 0 351.450 2.875 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([NH3+])C1 ZINC001579618002 1078650619 /nfs/dbraw/zinc/65/06/19/1078650619.db2.gz YDZCDZUFSUJPLW-KRWDZBQOSA-N 1 0 370.545 2.827 20 10 FFCDRO COCc1ccc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC001560295016 1076261775 /nfs/dbraw/zinc/26/17/75/1076261775.db2.gz HBORWQLPRIXNTA-UHFFFAOYSA-N 1 0 369.509 2.753 20 10 FFCDRO CSC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC001560353846 1076266641 /nfs/dbraw/zinc/26/66/41/1076266641.db2.gz YOOQETNDWCVGNF-UHFFFAOYSA-N 1 0 354.491 2.664 20 10 FFCDRO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC001586061010 1079538558 /nfs/dbraw/zinc/53/85/58/1079538558.db2.gz NPFMFRHLUKNFBX-FQEVSTJZSA-N 1 0 370.497 2.968 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187338840 510204209 /nfs/dbraw/zinc/20/42/09/510204209.db2.gz WCHLKTXKUMHADZ-WDEREUQCSA-N 1 0 364.305 2.937 20 10 FFCDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)CN1 ZINC000373177226 512207481 /nfs/dbraw/zinc/20/74/81/512207481.db2.gz OISSWTBCTBLCKM-FZMZJTMJSA-N 1 0 353.260 2.645 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1C ZINC000373264701 512246116 /nfs/dbraw/zinc/24/61/16/512246116.db2.gz FSMLRMXGKBCYTF-CQSZACIVSA-N 1 0 352.500 2.616 20 10 FFCDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000090103315 507908984 /nfs/dbraw/zinc/90/89/84/507908984.db2.gz RWNOMTBYIRQBKL-QGZVFWFLSA-N 1 0 368.543 2.779 20 10 FFCDRO CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000093133024 508122878 /nfs/dbraw/zinc/12/28/78/508122878.db2.gz AQXPADJNTNFNPQ-OAHLLOKOSA-N 1 0 358.313 2.911 20 10 FFCDRO O=C1NCCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093668726 508153186 /nfs/dbraw/zinc/15/31/86/508153186.db2.gz UKZQMRJAIFGDRA-UHFFFAOYSA-N 1 0 368.275 2.534 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N1CCN(C)CC1 ZINC000101660504 508253565 /nfs/dbraw/zinc/25/35/65/508253565.db2.gz JLWDYGQUIJWDJI-GOSISDBHSA-N 1 0 372.557 2.708 20 10 FFCDRO O=C(CCC[NH2+]Cc1ccccc1O)N1CCN(c2ccccc2)CC1 ZINC000076896067 508260869 /nfs/dbraw/zinc/26/08/69/508260869.db2.gz OQKZIAUYFIQBJZ-UHFFFAOYSA-N 1 0 353.466 2.611 20 10 FFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153114933 508549371 /nfs/dbraw/zinc/54/93/71/508549371.db2.gz XCJXMTOLOXBESN-OAHLLOKOSA-N 1 0 363.477 2.749 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000153315131 508571174 /nfs/dbraw/zinc/57/11/74/508571174.db2.gz XPEOVBRZTIWQET-UHFFFAOYSA-N 1 0 359.514 2.507 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000122936427 508610094 /nfs/dbraw/zinc/61/00/94/508610094.db2.gz JNGVKUXHOUNKCG-OAHLLOKOSA-N 1 0 373.522 2.828 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000119071137 508718912 /nfs/dbraw/zinc/71/89/12/508718912.db2.gz CZEJYIDDUIMMJL-SFHVURJKSA-N 1 0 367.493 2.832 20 10 FFCDRO COc1ccccc1N1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159457638 508844658 /nfs/dbraw/zinc/84/46/58/508844658.db2.gz NNSUGUSTWKNHML-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121412045 509172566 /nfs/dbraw/zinc/17/25/66/509172566.db2.gz WYBNURQOKKJBKX-HBMCJLEFSA-N 1 0 356.510 2.943 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266880575 509238691 /nfs/dbraw/zinc/23/86/91/509238691.db2.gz RZZWJOGOTNUEAA-UHFFFAOYSA-N 1 0 353.466 2.633 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000186103178 509523530 /nfs/dbraw/zinc/52/35/30/509523530.db2.gz IVQJADAHPMOZFQ-CJNGLKHVSA-N 1 0 356.470 2.675 20 10 FFCDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cc(F)ccc1O ZINC000186141363 509542741 /nfs/dbraw/zinc/54/27/41/509542741.db2.gz GGRMSQNXXDLFLT-NSHDSACASA-N 1 0 358.460 2.564 20 10 FFCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166534416 509609357 /nfs/dbraw/zinc/60/93/57/509609357.db2.gz UYARJYYTCPVVBV-HLLBOEOZSA-N 1 0 352.450 2.507 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1 ZINC000186377015 509678360 /nfs/dbraw/zinc/67/83/60/509678360.db2.gz HUEKQWDQOPVZGA-HNNXBMFYSA-N 1 0 354.516 2.801 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccccc1O ZINC000183461300 509803958 /nfs/dbraw/zinc/80/39/58/509803958.db2.gz UMWSVKQZDZKQAL-KRWDZBQOSA-N 1 0 356.466 2.954 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265855644 510265003 /nfs/dbraw/zinc/26/50/03/510265003.db2.gz FBRGAQODHSMWLW-TZMCWYRMSA-N 1 0 364.442 2.856 20 10 FFCDRO Nc1ccc(CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000262645761 510351516 /nfs/dbraw/zinc/35/15/16/510351516.db2.gz NTSDFPPAWLVLJZ-UHFFFAOYSA-N 1 0 353.466 2.654 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000246358695 510446522 /nfs/dbraw/zinc/44/65/22/510446522.db2.gz XARYHTBXTUKBDS-HXUWFJFHSA-N 1 0 371.437 2.849 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000185122908 510698077 /nfs/dbraw/zinc/69/80/77/510698077.db2.gz DGWKKIBRDDXKLV-OLZOCXBDSA-N 1 0 364.467 2.721 20 10 FFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)CC2 ZINC000185317042 510803107 /nfs/dbraw/zinc/80/31/07/510803107.db2.gz XXABVLKBICALQC-CABZTGNLSA-N 1 0 351.248 2.720 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000282227738 510893369 /nfs/dbraw/zinc/89/33/69/510893369.db2.gz PGRDOZJPCXVQCH-SFHVURJKSA-N 1 0 371.529 2.600 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000277322502 510960147 /nfs/dbraw/zinc/96/01/47/510960147.db2.gz DPFOINIFWHVHJT-OLZOCXBDSA-N 1 0 370.291 2.827 20 10 FFCDRO COc1c(O)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225543 510984825 /nfs/dbraw/zinc/98/48/25/510984825.db2.gz MDCKQLLAIWXZHZ-MRXNPFEDSA-N 1 0 358.394 2.791 20 10 FFCDRO COc1c(O)c(CN(C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278212273 510985274 /nfs/dbraw/zinc/98/52/74/510985274.db2.gz KHSRHAHBQKYRHX-UHFFFAOYSA-N 1 0 373.409 2.996 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000289838761 511115904 /nfs/dbraw/zinc/11/59/04/511115904.db2.gz QQCLDOQWPAJGQU-IBGZPJMESA-N 1 0 359.495 2.567 20 10 FFCDRO CC(C)N1CCc2nc(NC(=O)c3c(F)ccc(O)c3[O-])sc2C1 ZINC000294847200 511196749 /nfs/dbraw/zinc/19/67/49/511196749.db2.gz BRUNQHMNBKKQQL-UHFFFAOYSA-N 1 0 351.403 2.712 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271621738 511266446 /nfs/dbraw/zinc/26/64/46/511266446.db2.gz BSENAYGDDBBOPB-DOTOQJQBSA-N 1 0 364.461 2.999 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000280470594 511478109 /nfs/dbraw/zinc/47/81/09/511478109.db2.gz YOVPDFRVUUKTIE-HNNXBMFYSA-N 1 0 370.449 2.894 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000280578704 511518312 /nfs/dbraw/zinc/51/83/12/511518312.db2.gz MILADWIASNPDJD-HNNXBMFYSA-N 1 0 355.404 2.968 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(F)ccc1O ZINC000273380702 511523761 /nfs/dbraw/zinc/52/37/61/511523761.db2.gz IBDYURQSQHVQIF-HNNXBMFYSA-N 1 0 371.456 2.770 20 10 FFCDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000273439969 511526579 /nfs/dbraw/zinc/52/65/79/511526579.db2.gz MPWSWBSCARVTJP-OTYXRUKQSA-N 1 0 363.767 2.880 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c(O)c1 ZINC000283959001 511556654 /nfs/dbraw/zinc/55/66/54/511556654.db2.gz GBJWFEKILXUQSJ-SFHVURJKSA-N 1 0 369.513 2.662 20 10 FFCDRO Oc1cccc(Cl)c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000274086501 511714812 /nfs/dbraw/zinc/71/48/12/511714812.db2.gz OTIQDRIUKMEBAF-UHFFFAOYSA-N 1 0 351.809 2.706 20 10 FFCDRO Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C(F)F)n1 ZINC000274517323 511861279 /nfs/dbraw/zinc/86/12/79/511861279.db2.gz XGOUEMDISQWLHX-UHFFFAOYSA-N 1 0 350.413 2.826 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000285251547 512053140 /nfs/dbraw/zinc/05/31/40/512053140.db2.gz PZOVQTMQDQLLRV-MLGOLLRUSA-N 1 0 357.376 2.843 20 10 FFCDRO COc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371848260 512602195 /nfs/dbraw/zinc/60/21/95/512602195.db2.gz YNVKNMGWYUUFHV-HRCADAONSA-N 1 0 354.878 2.738 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000376009290 512613994 /nfs/dbraw/zinc/61/39/94/512613994.db2.gz WNBTYBGXBRXQSF-ZBEGNZNMSA-N 1 0 372.259 2.543 20 10 FFCDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000372228750 512770976 /nfs/dbraw/zinc/77/09/76/512770976.db2.gz VPMPAPMZSRKGJA-OAHLLOKOSA-N 1 0 369.465 2.765 20 10 FFCDRO CC[C@H](COC)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435870389 513704850 /nfs/dbraw/zinc/70/48/50/513704850.db2.gz FQUWGUYDTFPQJZ-MRXNPFEDSA-N 1 0 357.498 2.949 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1O ZINC000527955432 518010441 /nfs/dbraw/zinc/01/04/41/518010441.db2.gz NZTVLXNQQVTXDF-ZHRRBRCNSA-N 1 0 370.493 2.812 20 10 FFCDRO CN(Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000736769355 598727633 /nfs/dbraw/zinc/72/76/33/598727633.db2.gz PPQOYTTZADRPRE-UHFFFAOYSA-N 1 0 370.432 2.583 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000823732652 606751822 /nfs/dbraw/zinc/75/18/22/606751822.db2.gz NKECGPOBQPIOMW-SFHVURJKSA-N 1 0 365.437 2.754 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C ZINC000826271070 608054869 /nfs/dbraw/zinc/05/48/69/608054869.db2.gz AQGKUSMZAQPISP-LJQANCHMSA-N 1 0 365.437 2.763 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C ZINC000826271069 608054970 /nfs/dbraw/zinc/05/49/70/608054970.db2.gz AQGKUSMZAQPISP-IBGZPJMESA-N 1 0 365.437 2.763 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1-c1nn[nH]n1 ZINC000826202287 608286823 /nfs/dbraw/zinc/28/68/23/608286823.db2.gz UYFZLBKBYPHJHB-ZDUSSCGKSA-N 1 0 352.442 2.792 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000153193860 728773849 /nfs/dbraw/zinc/77/38/49/728773849.db2.gz FHEQGQSNMJVACM-UHFFFAOYSA-N 1 0 354.878 2.800 20 10 FFCDRO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H]1CCSC1 ZINC000160978154 728927702 /nfs/dbraw/zinc/92/77/02/728927702.db2.gz IZAONBFYIHMBIT-INIZCTEOSA-N 1 0 360.479 2.951 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccsc3)CC2)cc1 ZINC000032764197 727925167 /nfs/dbraw/zinc/92/51/67/727925167.db2.gz HOKHTTBLXAQIEK-UHFFFAOYSA-N 1 0 359.495 2.699 20 10 FFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079406648 728312603 /nfs/dbraw/zinc/31/26/03/728312603.db2.gz WDUUPUJSGAKZKH-CQSZACIVSA-N 1 0 350.434 2.862 20 10 FFCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Br)cc(OC)c1O ZINC000092437671 728467191 /nfs/dbraw/zinc/46/71/91/728467191.db2.gz JADBPRMYZHEJFL-UHFFFAOYSA-N 1 0 354.248 2.919 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1O ZINC000092538180 728468384 /nfs/dbraw/zinc/46/83/84/728468384.db2.gz PXPBDRTVFHODTC-UHFFFAOYSA-N 1 0 371.275 2.606 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093016906 728473369 /nfs/dbraw/zinc/47/33/69/728473369.db2.gz KZWGIVZWPXBXDT-AWEZNQCLSA-N 1 0 369.303 2.699 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000129844456 728713513 /nfs/dbraw/zinc/71/35/13/728713513.db2.gz QIKJYNDELDYQSZ-RHSMWYFYSA-N 1 0 368.905 2.615 20 10 FFCDRO O=C(CN1CC[NH+](Cc2ccccc2O)CC1)Nc1ccc(Cl)cc1 ZINC000179587571 729189802 /nfs/dbraw/zinc/18/98/02/729189802.db2.gz DFBRJIDXDPOFLU-UHFFFAOYSA-N 1 0 359.857 2.802 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000182439846 729278259 /nfs/dbraw/zinc/27/82/59/729278259.db2.gz OSTKMBUXOFHMBP-NWDGAFQWSA-N 1 0 360.376 2.852 20 10 FFCDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000182495260 729280063 /nfs/dbraw/zinc/28/00/63/729280063.db2.gz AJOOHEFDWYRDQC-MSOLQXFVSA-N 1 0 368.568 2.685 20 10 FFCDRO C[C@@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC000184983881 729338738 /nfs/dbraw/zinc/33/87/38/729338738.db2.gz KRKBGUAIYZOZQD-HNNXBMFYSA-N 1 0 350.482 2.955 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2O)c(C)s1 ZINC000186141622 729361203 /nfs/dbraw/zinc/36/12/03/729361203.db2.gz QQIJMPVPKPWTHB-LLVKDONJSA-N 1 0 372.487 2.839 20 10 FFCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000188846154 729392271 /nfs/dbraw/zinc/39/22/71/729392271.db2.gz BSHRHBFRWBEUCY-AWEZNQCLSA-N 1 0 350.503 2.672 20 10 FFCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1cccc(Br)c1 ZINC000262055589 729658095 /nfs/dbraw/zinc/65/80/95/729658095.db2.gz XEFXBKLPUZGNHF-UHFFFAOYSA-N 1 0 362.271 2.806 20 10 FFCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759181 738444810 /nfs/dbraw/zinc/44/48/10/738444810.db2.gz GGGMTOXMVJQKNL-MJGOQNOKSA-N 1 0 350.478 2.938 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)c1O ZINC000858434323 730425737 /nfs/dbraw/zinc/42/57/37/730425737.db2.gz FANOMCOGZBAIOS-ZWNOBZJWSA-N 1 0 354.248 2.581 20 10 FFCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779641610 738473773 /nfs/dbraw/zinc/47/37/73/738473773.db2.gz HTHOHOZKFREDGC-HKUYNNGSSA-N 1 0 350.528 2.980 20 10 FFCDRO CCO[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241192 730492908 /nfs/dbraw/zinc/49/29/08/730492908.db2.gz GPTPQQFYHZIAMO-WMZOPIPTSA-N 1 0 366.889 2.941 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000862243582 730680716 /nfs/dbraw/zinc/68/07/16/730680716.db2.gz NNHBRLBJCUQQLP-CQSZACIVSA-N 1 0 351.441 2.865 20 10 FFCDRO CCOC(=O)CC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000862418337 730699711 /nfs/dbraw/zinc/69/97/11/730699711.db2.gz NZWGCQWKODGYRL-UHFFFAOYSA-N 1 0 356.413 2.623 20 10 FFCDRO C[C@](CO)([NH2+]Cc1ccc(Br)cc1O)c1cccc(O)c1 ZINC000862433612 730702334 /nfs/dbraw/zinc/70/23/34/730702334.db2.gz ZKCCONFGAIANGK-MRXNPFEDSA-N 1 0 352.228 2.858 20 10 FFCDRO CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000866571275 731075470 /nfs/dbraw/zinc/07/54/70/731075470.db2.gz CIBISJQLPQYYLJ-GFCCVEGCSA-N 1 0 368.421 2.766 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H](O)C(F)(F)F ZINC000873099856 731874874 /nfs/dbraw/zinc/87/48/74/731874874.db2.gz SWAGTARIKVEEFQ-ZBFHGGJFSA-N 1 0 357.376 2.731 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1Cn1cccn1 ZINC000873132564 731879040 /nfs/dbraw/zinc/87/90/40/731879040.db2.gz XSPXGBSGQVTHKN-WBVHZDCISA-N 1 0 351.397 2.578 20 10 FFCDRO CCc1ncsc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000878995968 732628837 /nfs/dbraw/zinc/62/88/37/732628837.db2.gz KLMRSSLERFCPOG-UHFFFAOYSA-N 1 0 359.499 2.779 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1[O-] ZINC000926947520 738671783 /nfs/dbraw/zinc/67/17/83/738671783.db2.gz KENSLBJWCLSGGL-AQWVNGNSSA-N 1 0 360.223 2.748 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CCSCC4)cc2)CC1 ZINC000881853152 733120606 /nfs/dbraw/zinc/12/06/06/733120606.db2.gz LCUZBFCEPJYSKL-GOSISDBHSA-N 1 0 359.539 2.588 20 10 FFCDRO CN(CCCCCC[NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000891368304 734420152 /nfs/dbraw/zinc/42/01/52/734420152.db2.gz BJURXTVAJFRLQB-UHFFFAOYSA-N 1 0 364.559 2.900 20 10 FFCDRO CN1CCCc2cc(C[NH2+]Cc3cccc(NS(C)(=O)=O)c3)ccc21 ZINC000727469855 734484816 /nfs/dbraw/zinc/48/48/16/734484816.db2.gz KPEFCGMRNVKATL-UHFFFAOYSA-N 1 0 359.495 2.730 20 10 FFCDRO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O ZINC000727830837 734502752 /nfs/dbraw/zinc/50/27/52/734502752.db2.gz QGASLIWBUDXQDS-UHFFFAOYSA-N 1 0 352.456 2.648 20 10 FFCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000727859909 734503648 /nfs/dbraw/zinc/50/36/48/734503648.db2.gz IJZNICIDACFRMQ-INIZCTEOSA-N 1 0 361.511 2.996 20 10 FFCDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731903298 734704551 /nfs/dbraw/zinc/70/45/51/734704551.db2.gz ICAPJYYMMFHYRY-ZDUSSCGKSA-N 1 0 365.821 2.764 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894514142 734872555 /nfs/dbraw/zinc/87/25/55/734872555.db2.gz VNGJMRSBMSWLIQ-CQSZACIVSA-N 1 0 351.830 2.929 20 10 FFCDRO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC000895010572 734951120 /nfs/dbraw/zinc/95/11/20/734951120.db2.gz ZMZQBQNDDQTIIW-IBGZPJMESA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1O ZINC000895455398 735008669 /nfs/dbraw/zinc/00/86/69/735008669.db2.gz XTZUHTRVAHOERY-JCNLHEQBSA-N 1 0 361.463 2.804 20 10 FFCDRO C[C@@]1(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)COC(=O)N1 ZINC000896459722 735165461 /nfs/dbraw/zinc/16/54/61/735165461.db2.gz NNIIHUWPSVDPFV-INIZCTEOSA-N 1 0 369.259 2.865 20 10 FFCDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000897346748 735222787 /nfs/dbraw/zinc/22/27/87/735222787.db2.gz YCBIBYWYIPZBNT-CQSZACIVSA-N 1 0 371.275 2.558 20 10 FFCDRO CCC[N@H+](C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742805167 735257068 /nfs/dbraw/zinc/25/70/68/735257068.db2.gz HQCDGJRAWIPQDY-AWEZNQCLSA-N 1 0 355.429 2.715 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(OCC)ccc2O)CCOCC1 ZINC000897745141 735272298 /nfs/dbraw/zinc/27/22/98/735272298.db2.gz ANNNVBKPWOHRBN-AWEZNQCLSA-N 1 0 351.443 2.629 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OCC)cc2O)CCOCC1 ZINC000897745964 735272739 /nfs/dbraw/zinc/27/27/39/735272739.db2.gz UMOFTLNBGHNKFD-CQSZACIVSA-N 1 0 351.443 2.629 20 10 FFCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000749970137 735764023 /nfs/dbraw/zinc/76/40/23/735764023.db2.gz ZRMXBMKQGSUOOA-OAHLLOKOSA-N 1 0 354.516 2.512 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCOC23CCCC3)cc(F)c1N1CCOCC1 ZINC000903184147 736050985 /nfs/dbraw/zinc/05/09/85/736050985.db2.gz UZMLSMGRFVVZQQ-KRWDZBQOSA-N 1 0 352.425 2.993 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CS[C@H](C(C)C)C3)CC2)cc1 ZINC000754125973 736128877 /nfs/dbraw/zinc/12/88/77/736128877.db2.gz YTJASKWOJHJFLZ-XLIONFOSSA-N 1 0 363.571 2.937 20 10 FFCDRO [O-]c1c(F)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980726 736199077 /nfs/dbraw/zinc/19/90/77/736199077.db2.gz YPHLVTVPFCFLGB-IYBDPMFKSA-N 1 0 353.869 2.585 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756445877 736331964 /nfs/dbraw/zinc/33/19/64/736331964.db2.gz PVXYBJJWZSNXDH-NHYWBVRUSA-N 1 0 364.442 2.778 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H]1CCCO1 ZINC000761203521 736707342 /nfs/dbraw/zinc/70/73/42/736707342.db2.gz VSKPKBAVEPYXGC-CQSZACIVSA-N 1 0 357.834 2.598 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764792903 737050662 /nfs/dbraw/zinc/05/06/62/737050662.db2.gz ZGANJRSMRQQOHO-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765859361 737167652 /nfs/dbraw/zinc/16/76/52/737167652.db2.gz KERIGWDHTPEIBA-HOTGVXAUSA-N 1 0 367.921 2.548 20 10 FFCDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765897983 737171568 /nfs/dbraw/zinc/17/15/68/737171568.db2.gz GDGHUFVMDVDZCF-HOTGVXAUSA-N 1 0 368.905 2.880 20 10 FFCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766028344 737184809 /nfs/dbraw/zinc/18/48/09/737184809.db2.gz LLPCIUSHNXFHHE-RDTXWAMCSA-N 1 0 356.894 2.615 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000769468995 737532699 /nfs/dbraw/zinc/53/26/99/737532699.db2.gz SBCQKNUGEJLLKL-UHFFFAOYSA-N 1 0 371.275 2.641 20 10 FFCDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000769556560 737541957 /nfs/dbraw/zinc/54/19/57/737541957.db2.gz KFCJLLISQQDOFQ-UHFFFAOYSA-N 1 0 360.479 2.527 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ncc(Cl)s3)CC2)cc1 ZINC000769907077 737582274 /nfs/dbraw/zinc/58/22/74/737582274.db2.gz GEEKORIFLBOZFD-UHFFFAOYSA-N 1 0 366.918 2.717 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3\N=C(c4cccs4)OC3=O)cc2)CC1 ZINC000771519112 737732044 /nfs/dbraw/zinc/73/20/44/737732044.db2.gz CJLYFGQFMQBKSY-SSZFMOIBSA-N 1 0 353.447 2.844 20 10 FFCDRO CN(c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1)S(C)(=O)=O ZINC000921729136 738034207 /nfs/dbraw/zinc/03/42/07/738034207.db2.gz OROXXQNZJVMRPH-UHFFFAOYSA-N 1 0 360.479 2.697 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1O ZINC000775499658 738097363 /nfs/dbraw/zinc/09/73/63/738097363.db2.gz SWPZPRNTFPAYKK-DOMZBBRYSA-N 1 0 357.292 2.916 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@@H](C(F)(F)F)O3)cc2)CC1 ZINC000922455583 738148284 /nfs/dbraw/zinc/14/82/84/738148284.db2.gz OXZZVRSCHLNTRB-IRXDYDNUSA-N 1 0 358.404 2.847 20 10 FFCDRO CCOc1cccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1O ZINC000922473363 738151561 /nfs/dbraw/zinc/15/15/61/738151561.db2.gz JUMZHOMZDFQIRI-UHFFFAOYSA-N 1 0 370.515 2.521 20 10 FFCDRO CS[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1[NH+]1CCCC1 ZINC000776486954 738199198 /nfs/dbraw/zinc/19/91/98/738199198.db2.gz VDGOOZNPHQJEGA-SJORKVTESA-N 1 0 352.475 2.746 20 10 FFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000922801475 738202488 /nfs/dbraw/zinc/20/24/88/738202488.db2.gz GOKZEXFNYBDPMN-UHFFFAOYSA-N 1 0 358.186 2.908 20 10 FFCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1C(F)(F)F ZINC000922985015 738227388 /nfs/dbraw/zinc/22/73/88/738227388.db2.gz QMMNJUZAISSLPZ-CYBMUJFWSA-N 1 0 355.312 2.963 20 10 FFCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007355 738252938 /nfs/dbraw/zinc/25/29/38/738252938.db2.gz LWPSGXUKSKEQFC-XHDPSFHLSA-N 1 0 350.356 2.890 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1[O-] ZINC000923455691 738285537 /nfs/dbraw/zinc/28/55/37/738285537.db2.gz MIHHMYNRYNNEAG-HNNXBMFYSA-N 1 0 352.862 2.578 20 10 FFCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000785986274 739016826 /nfs/dbraw/zinc/01/68/26/739016826.db2.gz SJCYSOWWRUZUSE-HNNXBMFYSA-N 1 0 368.543 2.850 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929755589 739018803 /nfs/dbraw/zinc/01/88/03/739018803.db2.gz PWIYRFYUYVSYPT-INWMFGNUSA-N 1 0 356.260 2.781 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC([N@@H+]3CCCOCC3)CC2)c1O ZINC000931288003 739238697 /nfs/dbraw/zinc/23/86/97/739238697.db2.gz GNOMKKNRVHUYCM-UHFFFAOYSA-N 1 0 366.889 2.935 20 10 FFCDRO CCn1cccc(C[NH2+]Cc2cc(Br)cc(OC)c2O)c1=O ZINC000788524799 739254378 /nfs/dbraw/zinc/25/43/78/739254378.db2.gz UYJDLGCNBIZJAI-UHFFFAOYSA-N 1 0 367.243 2.635 20 10 FFCDRO CC(C)C(C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000790541652 739467682 /nfs/dbraw/zinc/46/76/82/739467682.db2.gz ATVFTOWAQRORAL-UHFFFAOYSA-N 1 0 352.544 2.939 20 10 FFCDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793010723 739730740 /nfs/dbraw/zinc/73/07/40/739730740.db2.gz RMWDHMBGIAYQEM-NSHDSACASA-N 1 0 352.422 2.684 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000793154714 739745582 /nfs/dbraw/zinc/74/55/82/739745582.db2.gz YRJLNCTVVGPWTD-UHFFFAOYSA-N 1 0 359.436 2.660 20 10 FFCDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000794792564 739930529 /nfs/dbraw/zinc/93/05/29/739930529.db2.gz FZPWGWZIAMVQPT-OAHLLOKOSA-N 1 0 361.511 2.868 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000794830559 739934214 /nfs/dbraw/zinc/93/42/14/739934214.db2.gz XVWYHGQLGHDDBW-JTQLQIEISA-N 1 0 362.289 2.691 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000797116140 740213627 /nfs/dbraw/zinc/21/36/27/740213627.db2.gz FLBOISFNNHUXHH-ZFWWWQNUSA-N 1 0 360.907 2.900 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccccc2Cn2cncn2)c1O ZINC000802651794 740715429 /nfs/dbraw/zinc/71/54/29/740715429.db2.gz BSEZEBRXCLCRIC-UHFFFAOYSA-N 1 0 358.829 2.984 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179288 741045556 /nfs/dbraw/zinc/04/55/56/741045556.db2.gz QNPUUHSQOJHEPM-DGCLKSJQSA-N 1 0 351.244 2.976 20 10 FFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)cc(C)c3O)C2=O)n(C)n1 ZINC000808706687 741254410 /nfs/dbraw/zinc/25/44/10/741254410.db2.gz RCUCXGKIRFDUTR-IUODEOHRSA-N 1 0 362.861 2.852 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000809764218 741341514 /nfs/dbraw/zinc/34/15/14/741341514.db2.gz CNPBSJNFLRRDOB-FZMZJTMJSA-N 1 0 357.292 2.935 20 10 FFCDRO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810209820 741398095 /nfs/dbraw/zinc/39/80/95/741398095.db2.gz WSKFFUARXYQJNO-CYBMUJFWSA-N 1 0 368.421 2.733 20 10 FFCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C(F)(F)F ZINC000811785398 741558707 /nfs/dbraw/zinc/55/87/07/741558707.db2.gz DJXNQHUNSNPQDI-GFCCVEGCSA-N 1 0 356.388 2.771 20 10 FFCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811929609 741574912 /nfs/dbraw/zinc/57/49/12/741574912.db2.gz IDKVLRFRXYGRFS-NSHDSACASA-N 1 0 358.280 2.683 20 10 FFCDRO CCNS(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815592718 741947019 /nfs/dbraw/zinc/94/70/19/741947019.db2.gz QHPAXQTUJFROMC-SFHVURJKSA-N 1 0 362.495 2.595 20 10 FFCDRO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])NCC[NH+]1CCCCCC1 ZINC000816620930 742048161 /nfs/dbraw/zinc/04/81/61/742048161.db2.gz RDXJJKZGROXSHZ-UHFFFAOYSA-N 1 0 374.312 2.781 20 10 FFCDRO OC[C@@]1([C@H]([NH2+]Cc2cc(Br)ccc2O)C2CC2)CCCO1 ZINC000816667855 742052290 /nfs/dbraw/zinc/05/22/90/742052290.db2.gz YHCAHYOUZBWOKU-HZPDHXFCSA-N 1 0 356.260 2.564 20 10 FFCDRO CON1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000817587803 742174848 /nfs/dbraw/zinc/17/48/48/742174848.db2.gz IHHASMPELAJOQJ-CQSZACIVSA-N 1 0 353.894 2.853 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000817973305 742225299 /nfs/dbraw/zinc/22/52/99/742225299.db2.gz TVXLKRXVICOVON-KBPBESRZSA-N 1 0 365.827 2.922 20 10 FFCDRO COC[C@]1(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CCC[NH2+]1 ZINC000817973644 742225483 /nfs/dbraw/zinc/22/54/83/742225483.db2.gz FTZBTMYQWZCGFX-DNVCBOLYSA-N 1 0 367.921 2.596 20 10 FFCDRO COc1nccnc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823855145 742991056 /nfs/dbraw/zinc/99/10/56/742991056.db2.gz HKYFTLUYJBYALL-OAHLLOKOSA-N 1 0 362.861 2.598 20 10 FFCDRO O=C(N1C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1)C(F)(F)F ZINC000824827552 743156607 /nfs/dbraw/zinc/15/66/07/743156607.db2.gz FWPZKDRDAKHBOP-ZYHUDNBSSA-N 1 0 362.779 2.888 20 10 FFCDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825096797 743209484 /nfs/dbraw/zinc/20/94/84/743209484.db2.gz JIBCJBXMNPAYMG-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825131925 743216041 /nfs/dbraw/zinc/21/60/41/743216041.db2.gz VDUOLKSNAHEWFW-UHFFFAOYSA-N 1 0 354.859 2.552 20 10 FFCDRO Cn1cc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2)cn1 ZINC000825321322 743247839 /nfs/dbraw/zinc/24/78/39/743247839.db2.gz VZIHSJPROUYYHT-AWEZNQCLSA-N 1 0 365.275 2.647 20 10 FFCDRO Cc1cc(N2CCC([NH2+]Cc3ccc(Br)cc3O)CC2)n[nH]1 ZINC000825635301 743304094 /nfs/dbraw/zinc/30/40/94/743304094.db2.gz YXAFRYLSNTXHOX-UHFFFAOYSA-N 1 0 365.275 2.945 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1Cl ZINC000825939975 743346282 /nfs/dbraw/zinc/34/62/82/743346282.db2.gz JNVSVABBKJHYQP-CYBMUJFWSA-N 1 0 372.918 2.648 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000825943885 743346823 /nfs/dbraw/zinc/34/68/23/743346823.db2.gz LRYPYSIBJPTYQP-BPUTZDHNSA-N 1 0 367.287 2.891 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)SC)cc2F)CC1 ZINC000826719535 743429556 /nfs/dbraw/zinc/42/95/56/743429556.db2.gz NGIVNDKEUKEAAY-UHFFFAOYSA-N 1 0 353.507 2.725 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(C)c2O)CC1 ZINC000827580536 743605169 /nfs/dbraw/zinc/60/51/69/743605169.db2.gz UJBUKKFJSGYLIZ-UHFFFAOYSA-N 1 0 362.289 2.520 20 10 FFCDRO Cc1cc(Cl)ccc1OCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292457 745673188 /nfs/dbraw/zinc/67/31/88/745673188.db2.gz HCYBJCIJEPCSNC-KRWDZBQOSA-N 1 0 361.873 2.909 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccccc1Br ZINC000834521026 745852513 /nfs/dbraw/zinc/85/25/13/745852513.db2.gz CDKDOUQWWYHBMI-SNVBAGLBSA-N 1 0 350.260 2.934 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000834839423 745911896 /nfs/dbraw/zinc/91/18/96/745911896.db2.gz AFQCZBUPQYBKSX-LBPRGKRZSA-N 1 0 351.244 2.976 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000835040715 745937968 /nfs/dbraw/zinc/93/79/68/745937968.db2.gz FUNMFZIPXXCEJM-LLCTXKFZSA-N 1 0 355.404 2.909 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)s1 ZINC000835056213 745941084 /nfs/dbraw/zinc/94/10/84/745941084.db2.gz HDKWXDCHQFXUDU-UHFFFAOYSA-N 1 0 362.451 2.571 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@H]1CCNC1=O ZINC000838865367 746725026 /nfs/dbraw/zinc/72/50/26/746725026.db2.gz SMAFUOSLKPLRQT-INIZCTEOSA-N 1 0 366.303 2.760 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840105114 747003394 /nfs/dbraw/zinc/00/33/94/747003394.db2.gz ORVLVGVGPPXGQL-CQSZACIVSA-N 1 0 350.459 2.971 20 10 FFCDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000840720587 747166026 /nfs/dbraw/zinc/16/60/26/747166026.db2.gz PSTYIQMFKOXDAZ-LBPRGKRZSA-N 1 0 363.255 2.724 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000840724418 747167314 /nfs/dbraw/zinc/16/73/14/747167314.db2.gz VUFKHTJDWQFRIS-ZWKOTPCHSA-N 1 0 350.528 2.836 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000841744101 747446714 /nfs/dbraw/zinc/44/67/14/747446714.db2.gz DYFCEBKNQYQNEZ-NSHDSACASA-N 1 0 354.859 2.805 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841771544 747455562 /nfs/dbraw/zinc/45/55/62/747455562.db2.gz XXMMCEWZSRDQIF-DZGCQCFKSA-N 1 0 357.420 2.652 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841893893 747483214 /nfs/dbraw/zinc/48/32/14/747483214.db2.gz LCFMOKVCBMDBQV-LLVKDONJSA-N 1 0 365.218 2.592 20 10 FFCDRO [NH3+]C[C@H](NC(=O)NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000841939409 747489600 /nfs/dbraw/zinc/48/96/00/747489600.db2.gz HCFXXOWLRZPHHG-AWEZNQCLSA-N 1 0 370.291 2.862 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978824 747495497 /nfs/dbraw/zinc/49/54/97/747495497.db2.gz SZPIFNJKWUZSAV-AWEZNQCLSA-N 1 0 370.291 2.828 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842012262 747501161 /nfs/dbraw/zinc/50/11/61/747501161.db2.gz ZMEVIZOKDDGODU-SMDDNHRTSA-N 1 0 370.291 2.814 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000842785543 747687263 /nfs/dbraw/zinc/68/72/63/747687263.db2.gz UNTJDQLCBDSOSL-KRWDZBQOSA-N 1 0 367.902 2.525 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000843428764 747834703 /nfs/dbraw/zinc/83/47/03/747834703.db2.gz NMGATUHUIIVIPG-INIZCTEOSA-N 1 0 358.276 2.730 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1O ZINC000846158598 748417203 /nfs/dbraw/zinc/41/72/03/748417203.db2.gz BEBMWWVDFUKJAC-CQSZACIVSA-N 1 0 370.515 2.502 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1O ZINC000846158597 748417417 /nfs/dbraw/zinc/41/74/17/748417417.db2.gz BEBMWWVDFUKJAC-AWEZNQCLSA-N 1 0 370.515 2.502 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000846182298 748424925 /nfs/dbraw/zinc/42/49/25/748424925.db2.gz BLIAUZSCWFXBSV-SJLPKXTDSA-N 1 0 365.543 2.752 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000846232239 748435922 /nfs/dbraw/zinc/43/59/22/748435922.db2.gz WEVNHYDTMQOFLD-KRWDZBQOSA-N 1 0 367.902 2.525 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848405509 748919719 /nfs/dbraw/zinc/91/97/19/748919719.db2.gz NEQNVTPQKJWUDF-WMLDXEAASA-N 1 0 367.287 2.893 20 10 FFCDRO COCCOCCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848517479 748947793 /nfs/dbraw/zinc/94/77/93/748947793.db2.gz HOFPGKFWFNPNSB-LLVKDONJSA-N 1 0 362.264 2.867 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000848517922 748948160 /nfs/dbraw/zinc/94/81/60/748948160.db2.gz HOMMGHLTNNJMES-RYUDHWBXSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1O ZINC000848533935 748952857 /nfs/dbraw/zinc/95/28/57/748952857.db2.gz WMXMQDZUIDCDRV-MEDUHNTESA-N 1 0 374.275 2.603 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCc2cnn(C)n2)c1O ZINC000848551538 748957866 /nfs/dbraw/zinc/95/78/66/748957866.db2.gz PJBPNMFLJBIHDP-JTQLQIEISA-N 1 0 369.263 2.575 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000848552441 748957893 /nfs/dbraw/zinc/95/78/93/748957893.db2.gz BDJZBHAGIBOUHH-VHSXEESVSA-N 1 0 359.264 2.727 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c1O ZINC000848551539 748958083 /nfs/dbraw/zinc/95/80/83/748958083.db2.gz PJBPNMFLJBIHDP-SNVBAGLBSA-N 1 0 369.263 2.575 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c(C(F)(F)F)c1 ZINC000848564737 748962416 /nfs/dbraw/zinc/96/24/16/748962416.db2.gz CIEXZYKYLASNCB-GFCCVEGCSA-N 1 0 353.392 2.547 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000848572849 748963685 /nfs/dbraw/zinc/96/36/85/748963685.db2.gz WLQBKBXYNOCZSK-SKDRFNHKSA-N 1 0 355.232 2.789 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000850137868 749309459 /nfs/dbraw/zinc/30/94/59/749309459.db2.gz XRNFCJSISFKRLZ-MRXNPFEDSA-N 1 0 360.889 2.943 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c(C(C)(C)C)c1 ZINC000850313110 749339978 /nfs/dbraw/zinc/33/99/78/749339978.db2.gz OWYBSPKBDGOUCF-MRXNPFEDSA-N 1 0 350.503 2.635 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(C4OCCO4)s3)C2)cc1 ZINC000850347018 749346838 /nfs/dbraw/zinc/34/68/38/749346838.db2.gz MCVOBRITDMVBIH-CYBMUJFWSA-N 1 0 361.467 2.566 20 10 FFCDRO CCOCc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)ccc1OC ZINC000850400934 749360282 /nfs/dbraw/zinc/36/02/82/749360282.db2.gz QQGBBWUFAMBBDK-FQEVSTJZSA-N 1 0 351.487 2.889 20 10 FFCDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000850439494 749365215 /nfs/dbraw/zinc/36/52/15/749365215.db2.gz PBAIOCDPBGDGDZ-ZIAGYGMSSA-N 1 0 351.401 2.527 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C[C@H](O)C[N@H+](C)C(C)C ZINC000851791739 749677786 /nfs/dbraw/zinc/67/77/86/749677786.db2.gz CLWNAUBNBZJKON-OAHLLOKOSA-N 1 0 359.308 2.678 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1O ZINC000852123567 749780408 /nfs/dbraw/zinc/78/04/08/749780408.db2.gz XKFVEMZLGIHXQV-UHFFFAOYSA-N 1 0 368.905 2.821 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852468848 749868599 /nfs/dbraw/zinc/86/85/99/749868599.db2.gz RGKQLSYNLRJKAW-ZDUSSCGKSA-N 1 0 370.291 2.827 20 10 FFCDRO COC[C@@]1(C[NH2+]Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000385123409 845826277 /nfs/dbraw/zinc/82/62/77/845826277.db2.gz SLKLQEQLAQEODA-IBGZPJMESA-N 1 0 350.459 2.898 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000181086072 970885691 /nfs/dbraw/zinc/88/56/91/970885691.db2.gz RCNJDPNJPFSSPJ-CKDFRHGISA-N 1 0 352.434 2.892 20 10 FFCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814347 970981523 /nfs/dbraw/zinc/98/15/23/970981523.db2.gz QCZOYPOQDVBMAX-UHFFFAOYSA-N 1 0 367.493 2.995 20 10 FFCDRO Cc1ncccc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895998392 971136279 /nfs/dbraw/zinc/13/62/79/971136279.db2.gz YIZXTJAMDBKDEA-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837615 1013065807 /nfs/dbraw/zinc/06/58/07/1013065807.db2.gz KODXIVKYPLQMRK-OAHLLOKOSA-N 1 0 366.889 2.800 20 10 FFCDRO CC(C)CN1C[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275840441 1013069850 /nfs/dbraw/zinc/06/98/50/1013069850.db2.gz KCVLLPINUPEFAX-GOSISDBHSA-N 1 0 352.862 2.505 20 10 FFCDRO CN(C(=O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000728774657 971483864 /nfs/dbraw/zinc/48/38/64/971483864.db2.gz SXSQGBOZRZCIBR-UHFFFAOYSA-N 1 0 371.456 2.805 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275892972 1013149901 /nfs/dbraw/zinc/14/99/01/1013149901.db2.gz NNHRDOQEYWWOPL-IBGZPJMESA-N 1 0 366.889 2.897 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275893819 1013151865 /nfs/dbraw/zinc/15/18/65/1013151865.db2.gz NLYSMFXTAPYESG-LJQANCHMSA-N 1 0 364.873 2.815 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275895193 1013153084 /nfs/dbraw/zinc/15/30/84/1013153084.db2.gz YARGWOJKSPBNFN-AUUYWEPGSA-N 1 0 366.889 2.895 20 10 FFCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C[C@H](C)O)C2CC2)C1 ZINC000655372315 959818027 /nfs/dbraw/zinc/81/80/27/959818027.db2.gz OFJQJQFFEUCYNZ-INIZCTEOSA-N 1 0 369.509 2.780 20 10 FFCDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(O)c1O)[NH+]1CCCC1 ZINC000177659896 961998464 /nfs/dbraw/zinc/99/84/64/961998464.db2.gz GMTLPOSYXHLVRC-QGZVFWFLSA-N 1 0 370.449 2.982 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCCC1 ZINC000653134179 962137903 /nfs/dbraw/zinc/13/79/03/962137903.db2.gz QBEPMDODSHIIGS-HNAYVOBHSA-N 1 0 367.493 2.739 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2OC)cc1Cn1cccn1 ZINC000873023357 1013352338 /nfs/dbraw/zinc/35/23/38/1013352338.db2.gz ZGPZBNLBMOUEKD-IBGZPJMESA-N 1 0 367.449 2.772 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc([S@](C)=O)c2)[NH+](C)C)cc1 ZINC000891246378 962567875 /nfs/dbraw/zinc/56/78/75/962567875.db2.gz BRZNPYMNMKGTGX-SIBVEZHUSA-N 1 0 373.522 2.523 20 10 FFCDRO CC(=O)c1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891252677 962604652 /nfs/dbraw/zinc/60/46/52/962604652.db2.gz MDFISYNNYATANP-HXUWFJFHSA-N 1 0 353.466 2.988 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nccc(NCC4CC4)n3)cc2)CC1 ZINC001167423015 963013090 /nfs/dbraw/zinc/01/30/90/963013090.db2.gz JZOYYKFWUKCEKK-UHFFFAOYSA-N 1 0 352.486 2.662 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3O)CC2)c1 ZINC000891475743 964368314 /nfs/dbraw/zinc/36/83/14/964368314.db2.gz KNBHYYCKTBXWLA-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891526699 964427486 /nfs/dbraw/zinc/42/74/86/964427486.db2.gz ODODXHYQXRYDPP-DNVCBOLYSA-N 1 0 355.486 2.811 20 10 FFCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1=O ZINC000894330712 964775223 /nfs/dbraw/zinc/77/52/23/964775223.db2.gz QJPNPFHPIWYVPK-OAHLLOKOSA-N 1 0 356.422 2.613 20 10 FFCDRO COc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(O)c1OC ZINC000891726303 964963694 /nfs/dbraw/zinc/96/36/94/964963694.db2.gz ZQWYTTKELZJBHW-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000093538445 965464238 /nfs/dbraw/zinc/46/42/38/965464238.db2.gz MNDAZSALQXJWMJ-UHFFFAOYSA-N 1 0 363.502 2.870 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000892192897 966246328 /nfs/dbraw/zinc/24/63/28/966246328.db2.gz IJKMQZSAHMWDEM-SJORKVTESA-N 1 0 374.529 2.599 20 10 FFCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000892256875 966396860 /nfs/dbraw/zinc/39/68/60/966396860.db2.gz DQRSFXKZXNXKQC-CCKFTAQKSA-N 1 0 369.465 2.907 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)cc1C ZINC001022750625 966551919 /nfs/dbraw/zinc/55/19/19/966551919.db2.gz BFUWPGIMXMWVKM-ZGXWSNOMSA-N 1 0 365.477 2.939 20 10 FFCDRO CCc1nccn1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000158567354 966644293 /nfs/dbraw/zinc/64/42/93/966644293.db2.gz NCGBECUIZCTCFI-HUUCEWRRSA-N 1 0 374.460 2.515 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H]1c1ccccc1 ZINC000895168763 968055742 /nfs/dbraw/zinc/05/57/42/968055742.db2.gz CMMODGZUKYOABF-DLBZAZTESA-N 1 0 371.433 2.798 20 10 FFCDRO Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2O)ccc1C[NH+](C)C ZINC000874191181 1013784042 /nfs/dbraw/zinc/78/40/42/1013784042.db2.gz AMNRAZSMBWBNKU-CQSZACIVSA-N 1 0 355.438 2.578 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCc2cncc(C)n2)c2cc(F)ccc2n1C ZINC000895279982 968950311 /nfs/dbraw/zinc/95/03/11/968950311.db2.gz LXOLXSUWCCQRER-UHFFFAOYSA-N 1 0 356.401 2.535 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+]2CCCC2)cc1 ZINC000177658666 969293708 /nfs/dbraw/zinc/29/37/08/969293708.db2.gz NZYSKANZTFPCOM-GOSISDBHSA-N 1 0 370.449 2.982 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000177808287 969347102 /nfs/dbraw/zinc/34/71/02/969347102.db2.gz SXQDRZXMOQSNIO-IRXDYDNUSA-N 1 0 372.513 2.542 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000066697940 969852779 /nfs/dbraw/zinc/85/27/79/969852779.db2.gz KMDLATAOPVCJPX-SFHVURJKSA-N 1 0 363.502 2.671 20 10 FFCDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000892728417 970258101 /nfs/dbraw/zinc/25/81/01/970258101.db2.gz CPONCNAVYWCBJG-INIZCTEOSA-N 1 0 360.454 2.992 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000892792238 970291707 /nfs/dbraw/zinc/29/17/07/970291707.db2.gz RWRKTVALOOJOLT-IRXDYDNUSA-N 1 0 362.470 2.944 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1nnc2n1CCCCC2 ZINC000892794571 970296439 /nfs/dbraw/zinc/29/64/39/970296439.db2.gz DLXVSFPRDATXLK-CQSZACIVSA-N 1 0 360.458 2.968 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000875392867 1014021642 /nfs/dbraw/zinc/02/16/42/1014021642.db2.gz FGELESRGBAKJOK-BJZITVGISA-N 1 0 361.486 2.520 20 10 FFCDRO CC(C)[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(N(C)C)cc1 ZINC000729542292 970656115 /nfs/dbraw/zinc/65/61/15/970656115.db2.gz BUSRFOHRGMJJOY-UHFFFAOYSA-N 1 0 360.502 2.684 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 ZINC000895505892 970676703 /nfs/dbraw/zinc/67/67/03/970676703.db2.gz XLKSHGKSUUIOQD-KRWDZBQOSA-N 1 0 354.406 2.619 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C)c1O ZINC000179564774 970749932 /nfs/dbraw/zinc/74/99/32/970749932.db2.gz UAGJXRHQIGLXEF-UHFFFAOYSA-N 1 0 356.422 2.932 20 10 FFCDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)ccc(O)c1O ZINC000825800853 1014051283 /nfs/dbraw/zinc/05/12/83/1014051283.db2.gz FWORXUXMLJSMFV-UHFFFAOYSA-N 1 0 374.412 2.642 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[N@H+](C)C(C)(C)CC3)C2)cc1 ZINC000875680090 1014062236 /nfs/dbraw/zinc/06/22/36/1014062236.db2.gz SJZJRKZMFHXZRZ-KRWDZBQOSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000178422816 974311956 /nfs/dbraw/zinc/31/19/56/974311956.db2.gz PTKICGOVLOATHP-QGZVFWFLSA-N 1 0 371.529 2.600 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C[NH3+])C(F)(F)F)CCCC1 ZINC000655519381 974985374 /nfs/dbraw/zinc/98/53/74/974985374.db2.gz RYTYAIVAPRZFOW-MRXNPFEDSA-N 1 0 369.387 2.535 20 10 FFCDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876616432 1014324644 /nfs/dbraw/zinc/32/46/44/1014324644.db2.gz MTFAMFOHICBHLU-UHFFFAOYSA-N 1 0 373.541 2.727 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000898451736 976462291 /nfs/dbraw/zinc/46/22/91/976462291.db2.gz OUNFVCHNHWJAKT-HXUWFJFHSA-N 1 0 354.498 2.505 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)c2cncn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000898888799 976748982 /nfs/dbraw/zinc/74/89/82/976748982.db2.gz QOMOKHQXGQFMEC-LJQANCHMSA-N 1 0 366.465 2.908 20 10 FFCDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000876696713 1014355845 /nfs/dbraw/zinc/35/58/45/1014355845.db2.gz JESPFURUXXJSMR-AQRBRUGDSA-N 1 0 367.493 2.685 20 10 FFCDRO CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000899097666 976906599 /nfs/dbraw/zinc/90/65/99/976906599.db2.gz DWHDVOVVDGCOAN-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CCCc3cnn(C)c3)cc2F)C[C@@H](C)O1 ZINC000876945546 1014428167 /nfs/dbraw/zinc/42/81/67/1014428167.db2.gz DYFWOSCBSGDJLB-HZPDHXFCSA-N 1 0 360.477 2.895 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cc1 ZINC000178724456 977846569 /nfs/dbraw/zinc/84/65/69/977846569.db2.gz NKTBLGFPIMDLDW-VDGAXYAQSA-N 1 0 357.498 2.655 20 10 FFCDRO CCNC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876954536 1014431867 /nfs/dbraw/zinc/43/18/67/1014431867.db2.gz KDKLAXXPNSXMOU-UHFFFAOYSA-N 1 0 367.493 2.687 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[nH]1 ZINC000876965702 1014435376 /nfs/dbraw/zinc/43/53/76/1014435376.db2.gz KJSLESPDOQJSBJ-UHFFFAOYSA-N 1 0 371.481 2.690 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(C4OCCO4)cc3)cc2)CC1 ZINC000877030956 1014456674 /nfs/dbraw/zinc/45/66/74/1014456674.db2.gz OFXLHMPYFIGUKA-UHFFFAOYSA-N 1 0 368.477 2.983 20 10 FFCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877034515 1014456777 /nfs/dbraw/zinc/45/67/77/1014456777.db2.gz JGVUYDHDRWYLKL-HTAPYJJXSA-N 1 0 354.494 2.902 20 10 FFCDRO C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623301 979726040 /nfs/dbraw/zinc/72/60/40/979726040.db2.gz OZXBQAIKPPCIBC-DUVNUKRYSA-N 1 0 361.421 2.743 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000877493489 1014598220 /nfs/dbraw/zinc/59/82/20/1014598220.db2.gz CMVNKPKKJQUSTI-HMFYCAOWSA-N 1 0 374.525 2.806 20 10 FFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000905060354 980378603 /nfs/dbraw/zinc/37/86/03/980378603.db2.gz VCZLWLXQVJBKNU-TZIWHRDSSA-N 1 0 367.493 2.520 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877719538 1014699167 /nfs/dbraw/zinc/69/91/67/1014699167.db2.gz CGEZPJYTZSNRMQ-CALCHBBNSA-N 1 0 360.498 2.858 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000877806133 1014736890 /nfs/dbraw/zinc/73/68/90/1014736890.db2.gz NLFAZXVXXWNQPY-UHFFFAOYSA-N 1 0 368.403 2.653 20 10 FFCDRO C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000237394173 981544393 /nfs/dbraw/zinc/54/43/93/981544393.db2.gz LETFCJBVVZCYKL-IAGOWNOFSA-N 1 0 359.514 2.726 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000877984257 1014797669 /nfs/dbraw/zinc/79/76/69/1014797669.db2.gz DZMFMRRWFIKOIE-FQEVSTJZSA-N 1 0 360.498 2.936 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000729507068 982133791 /nfs/dbraw/zinc/13/37/91/982133791.db2.gz DJICTNJGHMKHRM-PXNSSMCTSA-N 1 0 374.529 2.695 20 10 FFCDRO COC(=O)Nc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000911666219 983862392 /nfs/dbraw/zinc/86/23/92/983862392.db2.gz HTHUOOGWTYBHDU-SFHVURJKSA-N 1 0 370.453 2.669 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000878357735 1015001806 /nfs/dbraw/zinc/00/18/06/1015001806.db2.gz GEUAALKAVWYRPB-PXNSSMCTSA-N 1 0 360.498 2.902 20 10 FFCDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)CC1 ZINC000164312247 984348829 /nfs/dbraw/zinc/34/88/29/984348829.db2.gz UYDSGVLYTUPFQE-UHFFFAOYSA-N 1 0 373.541 2.775 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000764808668 984728522 /nfs/dbraw/zinc/72/85/22/984728522.db2.gz GNXKSVXMODWCTC-FXAWDEMLSA-N 1 0 356.466 2.614 20 10 FFCDRO c1ccc2c(c1)OC[C@H](CC[NH2+]Cc1ccc(N3CCOCC3)cc1)O2 ZINC000765264661 985006997 /nfs/dbraw/zinc/00/69/97/985006997.db2.gz AYBPSPHXVUUQQP-IBGZPJMESA-N 1 0 354.450 2.843 20 10 FFCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921579674 985403881 /nfs/dbraw/zinc/40/38/81/985403881.db2.gz YHABEYAJMNTEOA-UHFFFAOYSA-N 1 0 374.506 2.988 20 10 FFCDRO COc1ccc([C@@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168576700 985529491 /nfs/dbraw/zinc/52/94/91/985529491.db2.gz KIYQNLXAYXPIIQ-YSGRDPCXSA-N 1 0 359.422 2.650 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000139957377 985641104 /nfs/dbraw/zinc/64/11/04/985641104.db2.gz ITJLYZSGNOKMGN-ZWKOTPCHSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3csc(-c4ccn(C)n4)n3)C2)cc1 ZINC000922238518 988223929 /nfs/dbraw/zinc/22/39/29/988223929.db2.gz UZELYNRBVWLKSM-CQSZACIVSA-N 1 0 369.494 2.921 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1F ZINC000915365487 988483572 /nfs/dbraw/zinc/48/35/72/988483572.db2.gz GKWXVQDNDKHBJA-GOSISDBHSA-N 1 0 373.476 2.779 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000916573367 989827358 /nfs/dbraw/zinc/82/73/58/989827358.db2.gz LUDRFLRLMCERIV-HKUYNNGSSA-N 1 0 374.554 2.666 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000917020996 990094665 /nfs/dbraw/zinc/09/46/65/990094665.db2.gz YPKBWBWRHBNVLE-FQEVSTJZSA-N 1 0 362.420 2.967 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000921119912 990979461 /nfs/dbraw/zinc/97/94/61/990979461.db2.gz DSXKTKJGZIDJID-AEFFLSMTSA-N 1 0 363.502 2.813 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000879648736 1015625151 /nfs/dbraw/zinc/62/51/51/1015625151.db2.gz BOBHVEXSRKOSJM-IAGOWNOFSA-N 1 0 353.466 2.686 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000170878216 991449297 /nfs/dbraw/zinc/44/92/97/991449297.db2.gz VWCMJKRGCSSMDY-OAHLLOKOSA-N 1 0 357.454 2.893 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(OCCCO)cc3)cc2)CC1 ZINC000796518946 1015685978 /nfs/dbraw/zinc/68/59/78/1015685978.db2.gz ATLRDGILLLYRBF-UHFFFAOYSA-N 1 0 355.482 2.812 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000763814074 993289815 /nfs/dbraw/zinc/28/98/15/993289815.db2.gz OHHQGXBUSWELMS-FQEVSTJZSA-N 1 0 373.541 2.992 20 10 FFCDRO COc1cccc(O)c1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000809727739 994582192 /nfs/dbraw/zinc/58/21/92/994582192.db2.gz UYWADLFAHRAMBB-UHFFFAOYSA-N 1 0 371.481 2.520 20 10 FFCDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809708298 994586793 /nfs/dbraw/zinc/58/67/93/994586793.db2.gz AOXWRGHDIFRLLI-IBGZPJMESA-N 1 0 361.486 2.576 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cc3c(cc2O)OCO3)c1 ZINC000809751363 994604408 /nfs/dbraw/zinc/60/44/08/994604408.db2.gz DJSAYCJVMJCITM-UHFFFAOYSA-N 1 0 358.438 2.693 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccncc3F)C[C@H]2C)cc1C ZINC001082457421 994673806 /nfs/dbraw/zinc/67/38/06/994673806.db2.gz FCFSQEQZWCYELU-RDTXWAMCSA-N 1 0 357.429 2.788 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)CC4(CCOCC4)C3)cc2)CC1 ZINC000880586254 1015880053 /nfs/dbraw/zinc/88/00/53/1015880053.db2.gz XWNQRUSHJICNTA-HXUWFJFHSA-N 1 0 374.525 2.665 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1N1CCCCC1 ZINC000810171754 994715498 /nfs/dbraw/zinc/71/54/98/994715498.db2.gz SITRYTOINXQWHJ-HNNXBMFYSA-N 1 0 355.442 2.955 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)/C=C\c3ccc[nH]3)C[C@H]2C)cc1C ZINC001082489188 994737554 /nfs/dbraw/zinc/73/75/54/994737554.db2.gz OBEUIDNWLRTOBS-AGRFBSDFSA-N 1 0 353.466 2.982 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)nc3OC)CC2)cc1 ZINC000810261627 994739732 /nfs/dbraw/zinc/73/97/32/994739732.db2.gz WRQWUJXAYTVWPV-UHFFFAOYSA-N 1 0 357.454 2.866 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1 ZINC000747622667 994869086 /nfs/dbraw/zinc/86/90/86/994869086.db2.gz TZISPXRMHNBFHN-SFHVURJKSA-N 1 0 359.466 2.962 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3cc(C)on3)C[C@H]2C)cc1C ZINC001082733881 995379930 /nfs/dbraw/zinc/37/99/30/995379930.db2.gz ZIEBJGVNAIEGLK-DNVCBOLYSA-N 1 0 371.481 2.869 20 10 FFCDRO COCC[C@H]1COCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000812298601 995409598 /nfs/dbraw/zinc/40/95/98/995409598.db2.gz XZZTULHRDMEKGE-HNNXBMFYSA-N 1 0 359.422 2.569 20 10 FFCDRO COc1cc(O)c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1OC ZINC000812778856 995531853 /nfs/dbraw/zinc/53/18/53/995531853.db2.gz QAFYQBRSDDUXIW-KRWDZBQOSA-N 1 0 358.438 2.588 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ncccc3F)C[C@H]2C)cc1C ZINC001082823218 995581353 /nfs/dbraw/zinc/58/13/53/995581353.db2.gz UPJWLCFYJQAVAF-RHSMWYFYSA-N 1 0 357.429 2.788 20 10 FFCDRO CCc1ncncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082925536 995826853 /nfs/dbraw/zinc/82/68/53/995826853.db2.gz VBVGCKRQHBONBV-DNVCBOLYSA-N 1 0 368.481 2.606 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(-n4ccnn4)cc3)CC2)c(C)c1 ZINC001137369163 1015987416 /nfs/dbraw/zinc/98/74/16/1015987416.db2.gz GRBMOAVVKDCEJA-UHFFFAOYSA-N 1 0 363.465 2.907 20 10 FFCDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000824583215 997016861 /nfs/dbraw/zinc/01/68/61/997016861.db2.gz JNNJEBREFPEXML-FQEVSTJZSA-N 1 0 370.493 2.908 20 10 FFCDRO Cc1cc(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccc1 ZINC000824732307 997075629 /nfs/dbraw/zinc/07/56/29/997075629.db2.gz BXYTUVHIMXCDGE-NHCUHLMSSA-N 1 0 367.493 2.616 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000826845073 1016099646 /nfs/dbraw/zinc/09/96/46/1016099646.db2.gz DVKFLIPFDITGMW-FEAKQIBJSA-N 1 0 356.422 2.843 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)ccc1OC ZINC000825328280 997317422 /nfs/dbraw/zinc/31/74/22/997317422.db2.gz ZJIIOYHGFNLKEK-IEBWSBKVSA-N 1 0 359.470 2.975 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]([NH3+])c3ccc(C)cc3)CC2)cc1 ZINC000844180082 997697038 /nfs/dbraw/zinc/69/70/38/997697038.db2.gz AFRCOBULZFJWLF-FQEVSTJZSA-N 1 0 353.466 2.789 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC[C@@H](F)C1 ZINC000845085968 998324971 /nfs/dbraw/zinc/32/49/71/998324971.db2.gz PEPTWKNWVJKWSS-LJQANCHMSA-N 1 0 374.504 2.862 20 10 FFCDRO Cn1cnc2c1ncnc2N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732048895 998445170 /nfs/dbraw/zinc/44/51/70/998445170.db2.gz LCXFXJTVMQYDEP-CQSZACIVSA-N 1 0 372.860 2.799 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000732242792 998549020 /nfs/dbraw/zinc/54/90/20/998549020.db2.gz IPRTWFCJKRBDOC-XLIONFOSSA-N 1 0 374.529 2.758 20 10 FFCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500660 998609168 /nfs/dbraw/zinc/60/91/68/998609168.db2.gz YHZUCIAQZNVYCK-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)CC2=O)cc1 ZINC001144508686 998611230 /nfs/dbraw/zinc/61/12/30/998611230.db2.gz VEAANYOLSBAKPD-OAQYLSRUSA-N 1 0 368.433 2.741 20 10 FFCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504629 998612061 /nfs/dbraw/zinc/61/20/61/998612061.db2.gz XTIYCFNTVOLYJW-UHFFFAOYSA-N 1 0 352.431 2.540 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144520602 998619263 /nfs/dbraw/zinc/61/92/63/998619263.db2.gz VYKUOHXWFPBUOB-IBGZPJMESA-N 1 0 366.458 2.930 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(O)c1 ZINC001144509110 998622147 /nfs/dbraw/zinc/62/21/47/998622147.db2.gz LGKBBXZSWYHVGF-MRVPVSSYSA-N 1 0 359.304 2.585 20 10 FFCDRO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509158 998622595 /nfs/dbraw/zinc/62/25/95/998622595.db2.gz NCETZPYFOPTDAF-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO Cc1cccc(NC(=O)NC2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144516381 998628555 /nfs/dbraw/zinc/62/85/55/998628555.db2.gz WXOZWBWPKMCGKY-UHFFFAOYSA-N 1 0 371.437 2.898 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733325803 998963585 /nfs/dbraw/zinc/96/35/85/998963585.db2.gz TZFUSDGNMYOBNG-QGZVFWFLSA-N 1 0 362.445 2.568 20 10 FFCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766208899 999202176 /nfs/dbraw/zinc/20/21/76/999202176.db2.gz ARIGQIXRQVJASY-KRWDZBQOSA-N 1 0 369.509 2.980 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2n[nH]cc2F)cc1C ZINC001085322942 999365274 /nfs/dbraw/zinc/36/52/74/999365274.db2.gz JHPBTVUTYWHESG-HZPDHXFCSA-N 1 0 360.433 2.697 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccn2)cc1C ZINC001085369778 999415371 /nfs/dbraw/zinc/41/53/71/999415371.db2.gz LGCSXEMIJZWRAU-IAGOWNOFSA-N 1 0 354.454 2.624 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000766254000 999672114 /nfs/dbraw/zinc/67/21/14/999672114.db2.gz ZDZNESKYGMIHBN-IRXDYDNUSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3ccco3)CC2)cc1 ZINC000741526016 999730074 /nfs/dbraw/zinc/73/00/74/999730074.db2.gz OSHFQHTVYUZZMJ-KRWDZBQOSA-N 1 0 371.481 2.720 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800911 999787709 /nfs/dbraw/zinc/78/77/09/999787709.db2.gz MRJOKUVLZHYJFP-RHSMWYFYSA-N 1 0 367.440 2.857 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000743564202 999823512 /nfs/dbraw/zinc/82/35/12/999823512.db2.gz FXXOEXZRVJQBKW-FXAWDEMLSA-N 1 0 374.529 2.710 20 10 FFCDRO Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001169137897 1000024658 /nfs/dbraw/zinc/02/46/58/1000024658.db2.gz XVFFYTCFXQBTFN-NRFANRHFSA-N 1 0 365.477 2.505 20 10 FFCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ns1 ZINC000766854252 1000079886 /nfs/dbraw/zinc/07/98/86/1000079886.db2.gz GRZPFSOJIHKDIL-UHFFFAOYSA-N 1 0 370.522 2.914 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000846158155 1000211743 /nfs/dbraw/zinc/21/17/43/1000211743.db2.gz TZYCHCBKLWZCKC-UONOGXRCSA-N 1 0 353.422 2.850 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCO3)[C@@H](O)CO2 ZINC000768448220 1000250687 /nfs/dbraw/zinc/25/06/87/1000250687.db2.gz BPMDIOWUEVNALO-RDJZCZTQSA-N 1 0 355.390 2.884 20 10 FFCDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463358 1000262743 /nfs/dbraw/zinc/26/27/43/1000262743.db2.gz HKYTZRSZSQTZNR-GUYCJALGSA-N 1 0 363.454 2.762 20 10 FFCDRO C[C@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768687462 1000330824 /nfs/dbraw/zinc/33/08/24/1000330824.db2.gz TYFGJLZCNWLSGZ-QFBILLFUSA-N 1 0 356.514 2.674 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000768691481 1000331225 /nfs/dbraw/zinc/33/12/25/1000331225.db2.gz UEQORKLHQJOAQB-CYBMUJFWSA-N 1 0 354.406 2.565 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001144867686 1000367636 /nfs/dbraw/zinc/36/76/36/1000367636.db2.gz BWOGCHLNYNDMPT-FQEVSTJZSA-N 1 0 359.514 2.997 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000846697402 1000412719 /nfs/dbraw/zinc/41/27/19/1000412719.db2.gz QGDRHJDQALYQED-JOCHJYFZSA-N 1 0 367.493 2.521 20 10 FFCDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000769494623 1000533911 /nfs/dbraw/zinc/53/39/11/1000533911.db2.gz MBCKBAWQGNGESY-CQSZACIVSA-N 1 0 350.418 2.786 20 10 FFCDRO CN(C)C(=O)CCN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769505670 1000536213 /nfs/dbraw/zinc/53/62/13/1000536213.db2.gz HDZIGJNYNKZGOP-UHFFFAOYSA-N 1 0 367.493 2.655 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCCN(c3nccc(OCC)n3)CC2)c(O)c1 ZINC000770328240 1000750550 /nfs/dbraw/zinc/75/05/50/1000750550.db2.gz WJTVLPDOFVGZIG-UHFFFAOYSA-N 1 0 372.469 2.692 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)cc2)CC1 ZINC000771519493 1001135515 /nfs/dbraw/zinc/13/55/15/1001135515.db2.gz GHOLVONICAHOBD-XMHGGMMESA-N 1 0 365.408 2.922 20 10 FFCDRO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000771815187 1001217090 /nfs/dbraw/zinc/21/70/90/1001217090.db2.gz KPVNGYFTUFQXGJ-LJQANCHMSA-N 1 0 369.509 2.931 20 10 FFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000786166647 1001550966 /nfs/dbraw/zinc/55/09/66/1001550966.db2.gz XQUHHLWHZMDOQW-LJQANCHMSA-N 1 0 358.457 2.664 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787305529 1001683644 /nfs/dbraw/zinc/68/36/44/1001683644.db2.gz ZQPPBOUJXDQGEY-WKCHPHFGSA-N 1 0 368.525 2.816 20 10 FFCDRO CCO[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087021730 1001708301 /nfs/dbraw/zinc/70/83/01/1001708301.db2.gz GLJJYYQMRLRTIJ-UYAOXDASSA-N 1 0 360.498 2.923 20 10 FFCDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001182451655 1001895695 /nfs/dbraw/zinc/89/56/95/1001895695.db2.gz GNDZWJSISHLNPO-UONOGXRCSA-N 1 0 359.436 2.658 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)C[NH+]1CCCCC1 ZINC000746980876 1002586490 /nfs/dbraw/zinc/58/64/90/1002586490.db2.gz ALDNYOOFCZGECT-QGZVFWFLSA-N 1 0 358.530 2.990 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000791253678 1002624895 /nfs/dbraw/zinc/62/48/95/1002624895.db2.gz GXJDETSFXPPLIH-QFIPXVFZSA-N 1 0 369.509 2.931 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1-c1ccc(F)cc1 ZINC000791256846 1002624946 /nfs/dbraw/zinc/62/49/46/1002624946.db2.gz ZJIOOAOWEFIOIO-OAQYLSRUSA-N 1 0 373.472 2.762 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001185033255 1002791878 /nfs/dbraw/zinc/79/18/78/1002791878.db2.gz TXSOKYRKIWAQLR-QGZVFWFLSA-N 1 0 352.482 2.999 20 10 FFCDRO COc1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c(O)c1 ZINC000792775324 1003187183 /nfs/dbraw/zinc/18/71/83/1003187183.db2.gz JYTUOKRLXQOCFR-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC000793052492 1003265971 /nfs/dbraw/zinc/26/59/71/1003265971.db2.gz WWKRKBXVIAWHEF-BEFAXECRSA-N 1 0 369.465 2.721 20 10 FFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(OCCO)c1 ZINC000775033322 1003353170 /nfs/dbraw/zinc/35/31/70/1003353170.db2.gz LVNNOGNEOUAFAO-UHFFFAOYSA-N 1 0 355.482 2.730 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC000775724954 1003840098 /nfs/dbraw/zinc/84/00/98/1003840098.db2.gz OYOFSZCTHZVZST-LJQANCHMSA-N 1 0 359.514 2.745 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806134223 1004237221 /nfs/dbraw/zinc/23/72/21/1004237221.db2.gz VZLHTRJCNFDKBC-KRWDZBQOSA-N 1 0 363.465 2.955 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cs2)cc1 ZINC001193168353 1004397011 /nfs/dbraw/zinc/39/70/11/1004397011.db2.gz HDLYGJGFMXHUJB-GASCZTMLSA-N 1 0 356.495 2.510 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000775827301 1004527515 /nfs/dbraw/zinc/52/75/15/1004527515.db2.gz KCXXAPHPWGVREY-AWEZNQCLSA-N 1 0 356.426 2.974 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775830431 1004539625 /nfs/dbraw/zinc/53/96/25/1004539625.db2.gz IIIXMAOAWOKMPN-VKJFTORMSA-N 1 0 360.502 2.808 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000775830430 1004539636 /nfs/dbraw/zinc/53/96/36/1004539636.db2.gz IIIXMAOAWOKMPN-RVKKMQEKSA-N 1 0 360.502 2.808 20 10 FFCDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000747413274 1004666001 /nfs/dbraw/zinc/66/60/01/1004666001.db2.gz MDAYOMBMWBOMRS-UHFFFAOYSA-N 1 0 355.482 2.589 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CC2(O)CCCCC2)cc1 ZINC001195788079 1005043629 /nfs/dbraw/zinc/04/36/29/1005043629.db2.gz DSJZIUZJHODLET-GOSISDBHSA-N 1 0 350.503 2.509 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000105321040 1005056739 /nfs/dbraw/zinc/05/67/39/1005056739.db2.gz TVZUHSQQYPAWDL-OAHLLOKOSA-N 1 0 374.554 2.769 20 10 FFCDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000776248411 1005317362 /nfs/dbraw/zinc/31/73/62/1005317362.db2.gz ZZLUIBHSDUGIQJ-QFBILLFUSA-N 1 0 362.518 2.566 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000776276957 1005342895 /nfs/dbraw/zinc/34/28/95/1005342895.db2.gz MJEYDEIRRDWYHQ-FQEVSTJZSA-N 1 0 371.437 2.849 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(OC)cc3)cc2F)CC1 ZINC000106702670 1005356510 /nfs/dbraw/zinc/35/65/10/1005356510.db2.gz SAJWIHQAPVWODF-UHFFFAOYSA-N 1 0 371.456 2.906 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 ZINC000776346471 1005384827 /nfs/dbraw/zinc/38/48/27/1005384827.db2.gz IAVSSMJTOPOZLD-PXNSSMCTSA-N 1 0 371.525 2.650 20 10 FFCDRO Fc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000850382172 1005812147 /nfs/dbraw/zinc/81/21/47/1005812147.db2.gz OTQOGLRHJZVLCL-QGZVFWFLSA-N 1 0 360.404 2.895 20 10 FFCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000850399405 1005813204 /nfs/dbraw/zinc/81/32/04/1005813204.db2.gz LFXKXYJYHZSYOS-UHFFFAOYSA-N 1 0 359.514 2.699 20 10 FFCDRO COc1ccc(OC)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850404544 1005813226 /nfs/dbraw/zinc/81/32/26/1005813226.db2.gz AICYOTCTGBAIJU-UHFFFAOYSA-N 1 0 356.466 2.955 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2)CC1 ZINC000850405948 1005813610 /nfs/dbraw/zinc/81/36/10/1005813610.db2.gz LPJNUKBUXFYQKJ-UHFFFAOYSA-N 1 0 354.450 2.709 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1OC ZINC000850405604 1005813725 /nfs/dbraw/zinc/81/37/25/1005813725.db2.gz WQDAJGAAKCQNIT-UHFFFAOYSA-N 1 0 356.466 2.955 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000850489219 1005818599 /nfs/dbraw/zinc/81/85/99/1005818599.db2.gz SAFDPFSGKLEQBD-HXUWFJFHSA-N 1 0 366.509 2.923 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c(O)c1 ZINC000850557604 1005822486 /nfs/dbraw/zinc/82/24/86/1005822486.db2.gz XBNILPSVLOXTKX-AVRDEDQJSA-N 1 0 370.493 2.615 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850762231 1005837700 /nfs/dbraw/zinc/83/77/00/1005837700.db2.gz HGLXBKURKICLPR-DJJJIMSYSA-N 1 0 371.437 2.511 20 10 FFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851841518 1005917063 /nfs/dbraw/zinc/91/70/63/1005917063.db2.gz UZRRFEGQKIJFFS-INIZCTEOSA-N 1 0 362.470 2.993 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)cc1 ZINC000852196669 1005950171 /nfs/dbraw/zinc/95/01/71/1005950171.db2.gz UJLGKZAQZJNHIJ-CVEARBPZSA-N 1 0 362.518 2.549 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3(C[NH+](C)C)CCCC3)C2)cc1 ZINC000852283203 1005962444 /nfs/dbraw/zinc/96/24/44/1005962444.db2.gz DDZGZXWBBPBELJ-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3(C[NH+](C)C)CCCC3)C2)cc1 ZINC000852283204 1005963222 /nfs/dbraw/zinc/96/32/22/1005963222.db2.gz DDZGZXWBBPBELJ-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775108267 1006007049 /nfs/dbraw/zinc/00/70/49/1006007049.db2.gz DHQHMPNFUIPEKD-INIZCTEOSA-N 1 0 360.410 2.999 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)nn1 ZINC000852745166 1006166103 /nfs/dbraw/zinc/16/61/03/1006166103.db2.gz PHBQMXDWWHFZFY-UHFFFAOYSA-N 1 0 355.486 2.572 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852785258 1006182872 /nfs/dbraw/zinc/18/28/72/1006182872.db2.gz DKHOGDFKNQACRR-UHFFFAOYSA-N 1 0 354.454 2.672 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000852892039 1006223664 /nfs/dbraw/zinc/22/36/64/1006223664.db2.gz AAWPEFZKUVRXMZ-MRXNPFEDSA-N 1 0 365.477 2.597 20 10 FFCDRO Cc1nc(Cl)ccc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850801 1006241869 /nfs/dbraw/zinc/24/18/69/1006241869.db2.gz GLZUMGDXFZGAKG-UHFFFAOYSA-N 1 0 372.900 2.654 20 10 FFCDRO COCC1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000814302094 1006243020 /nfs/dbraw/zinc/24/30/20/1006243020.db2.gz OPFMTBRCABUNKE-UHFFFAOYSA-N 1 0 363.458 2.870 20 10 FFCDRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235522 1006362058 /nfs/dbraw/zinc/36/20/58/1006362058.db2.gz SNFBIULZEMOCAR-KRWDZBQOSA-N 1 0 370.449 2.513 20 10 FFCDRO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000853550491 1006440983 /nfs/dbraw/zinc/44/09/83/1006440983.db2.gz IEPBXNXHHXEOPF-QVKFZJNVSA-N 1 0 370.449 2.731 20 10 FFCDRO Cc1cc(C)c(CNC(=O)c2ccccc2CN2CC[NH+](C)CC2)c(O)c1 ZINC001188365672 1006530680 /nfs/dbraw/zinc/53/06/80/1006530680.db2.gz LLYUBRYEGNSNNE-UHFFFAOYSA-N 1 0 367.493 2.686 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC4(CCOCC4)CO3)cc2)CC1 ZINC000883253650 1006719416 /nfs/dbraw/zinc/71/94/16/1006719416.db2.gz YKTZDFAGLNXWCI-OAQYLSRUSA-N 1 0 374.525 2.713 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883278589 1006726559 /nfs/dbraw/zinc/72/65/59/1006726559.db2.gz VIDZMPOQTYLGPB-RDJZCZTQSA-N 1 0 362.445 2.757 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000854300457 1006765943 /nfs/dbraw/zinc/76/59/43/1006765943.db2.gz SYZUWBBBIKBJEQ-ROUUACIJSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000854310550 1006771079 /nfs/dbraw/zinc/77/10/79/1006771079.db2.gz VAKKMGFEZQIUJL-IOMROCGXSA-N 1 0 371.525 2.760 20 10 FFCDRO CCN(CC1CC1)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000112212730 1006819404 /nfs/dbraw/zinc/81/94/04/1006819404.db2.gz IZOFLFCYYXKNRY-UHFFFAOYSA-N 1 0 374.529 2.649 20 10 FFCDRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775253923 1007090915 /nfs/dbraw/zinc/09/09/15/1007090915.db2.gz CKLPMVBQXLVUID-WIYYLYMNSA-N 1 0 370.493 2.922 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775259250 1007131209 /nfs/dbraw/zinc/13/12/09/1007131209.db2.gz PSVPPBJWWFRCKP-BZSNNMDCSA-N 1 0 359.514 2.963 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)cc1 ZINC000855231463 1007197712 /nfs/dbraw/zinc/19/77/12/1007197712.db2.gz ADWVPDDHGNSAHX-JXFKEZNVSA-N 1 0 357.498 2.797 20 10 FFCDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000884194723 1007307837 /nfs/dbraw/zinc/30/78/37/1007307837.db2.gz QGALPHHCDIKARN-LJQANCHMSA-N 1 0 361.530 2.521 20 10 FFCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000817365220 1007581300 /nfs/dbraw/zinc/58/13/00/1007581300.db2.gz SFWQLRRZKITVFT-IIYDPXPESA-N 1 0 363.454 2.760 20 10 FFCDRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775375978 1007585884 /nfs/dbraw/zinc/58/58/84/1007585884.db2.gz QOOMXCSBDKGZEJ-ZDUSSCGKSA-N 1 0 372.421 2.785 20 10 FFCDRO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000775406760 1007753425 /nfs/dbraw/zinc/75/34/25/1007753425.db2.gz ZWCAFRFKOHXUGP-HNNXBMFYSA-N 1 0 356.470 2.579 20 10 FFCDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901199 1007805146 /nfs/dbraw/zinc/80/51/46/1007805146.db2.gz UWWDZUHUJWGUID-OWCLPIDISA-N 1 0 369.456 2.613 20 10 FFCDRO Cc1c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nnn1-c1ccccc1 ZINC000817938094 1007818444 /nfs/dbraw/zinc/81/84/44/1007818444.db2.gz DJQIOGLMLRJUEK-MGPUTAFESA-N 1 0 364.497 2.992 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)Nc3cccc(C[NH3+])c3)C2)cc1 ZINC000818636261 1007956986 /nfs/dbraw/zinc/95/69/86/1007956986.db2.gz LVXSYEPBKSXHTP-MRXNPFEDSA-N 1 0 354.454 2.802 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000114587457 1007969710 /nfs/dbraw/zinc/96/97/10/1007969710.db2.gz WZNFTPJDVFJGNU-UHFFFAOYSA-N 1 0 369.465 2.648 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1 ZINC000819121487 1008048881 /nfs/dbraw/zinc/04/88/81/1008048881.db2.gz LSSCWYWNZRKHPS-FQEVSTJZSA-N 1 0 362.420 2.749 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000819165848 1008054050 /nfs/dbraw/zinc/05/40/50/1008054050.db2.gz FGZKGXYSORQFIQ-MRXNPFEDSA-N 1 0 369.421 2.587 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000819165847 1008054105 /nfs/dbraw/zinc/05/41/05/1008054105.db2.gz FGZKGXYSORQFIQ-INIZCTEOSA-N 1 0 369.421 2.587 20 10 FFCDRO C[N@H+](CCCN1C(=O)CN(Cc2ccccc2O)C1=O)Cc1ccccc1 ZINC000819166384 1008055365 /nfs/dbraw/zinc/05/53/65/1008055365.db2.gz VWFDSYIFMNGPNF-UHFFFAOYSA-N 1 0 367.449 2.679 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 ZINC000857238320 1008099678 /nfs/dbraw/zinc/09/96/78/1008099678.db2.gz MBIZIKDKUIQTGH-UHFFFAOYSA-N 1 0 357.429 2.569 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819379141 1008126942 /nfs/dbraw/zinc/12/69/42/1008126942.db2.gz CSYAWURJCPDHSQ-YWZLYKJASA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000819381041 1008128095 /nfs/dbraw/zinc/12/80/95/1008128095.db2.gz UPYIBMXXWDHBHX-PKOBYXMFSA-N 1 0 356.466 2.551 20 10 FFCDRO Cc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(O)c1O ZINC000819640433 1008203538 /nfs/dbraw/zinc/20/35/38/1008203538.db2.gz SRQHZUPKQXETMG-FUHWJXTLSA-N 1 0 352.434 2.753 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000819696400 1008208377 /nfs/dbraw/zinc/20/83/77/1008208377.db2.gz SHNYXKZJFUNLBP-MRXNPFEDSA-N 1 0 362.470 2.548 20 10 FFCDRO C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000858369923 1008351687 /nfs/dbraw/zinc/35/16/87/1008351687.db2.gz YXEMTQOZLPTIPD-QGZVFWFLSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000822370968 1008588075 /nfs/dbraw/zinc/58/80/75/1008588075.db2.gz QGOKHAXMGREPAM-ROUUACIJSA-N 1 0 359.514 2.902 20 10 FFCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC001177479110 1008640623 /nfs/dbraw/zinc/64/06/23/1008640623.db2.gz FPLJDYRXWNDLOG-UHFFFAOYSA-N 1 0 360.527 2.708 20 10 FFCDRO CCOc1cccc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000822526068 1008645888 /nfs/dbraw/zinc/64/58/88/1008645888.db2.gz PWNFPCHRPFNVSP-UHFFFAOYSA-N 1 0 368.433 2.909 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000886509006 1008709391 /nfs/dbraw/zinc/70/93/91/1008709391.db2.gz XHVUAGQTLATWCW-FXAWDEMLSA-N 1 0 369.513 2.609 20 10 FFCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206566589 1032344745 /nfs/dbraw/zinc/34/47/45/1032344745.db2.gz IFUVEYYKIVEWQT-OAHLLOKOSA-N 1 0 364.453 2.954 20 10 FFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)ccn1 ZINC000886749178 1008859492 /nfs/dbraw/zinc/85/94/92/1008859492.db2.gz LRHCBUWGDAJJLZ-OAHLLOKOSA-N 1 0 368.481 2.643 20 10 FFCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@H]2C1 ZINC000886751134 1008860190 /nfs/dbraw/zinc/86/01/90/1008860190.db2.gz INIKDDPPDPAJNH-BITOSCEUSA-N 1 0 371.525 2.682 20 10 FFCDRO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)ccc1N(C)C ZINC000887053889 1009002210 /nfs/dbraw/zinc/00/22/10/1009002210.db2.gz HFPLAOJXSMQDFU-WGMWDUQUSA-N 1 0 354.498 2.809 20 10 FFCDRO COCC[N@@H+]1CCCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000823687642 1009170803 /nfs/dbraw/zinc/17/08/03/1009170803.db2.gz SDCUWTYCBPSQRV-UHFFFAOYSA-N 1 0 369.509 2.817 20 10 FFCDRO Cc1nc2c(cccc2C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC001180179459 1009573258 /nfs/dbraw/zinc/57/32/58/1009573258.db2.gz OLWVLPDZPIPODL-LJQANCHMSA-N 1 0 365.481 2.970 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1C ZINC000861914637 1009619194 /nfs/dbraw/zinc/61/91/94/1009619194.db2.gz UYNOHIHEWNEXGN-KXTWHKPSSA-N 1 0 365.477 2.847 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000862008580 1009658299 /nfs/dbraw/zinc/65/82/99/1009658299.db2.gz PLYVXVMCORIPBJ-UHFFFAOYSA-N 1 0 353.466 2.660 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000862407484 1009829521 /nfs/dbraw/zinc/82/95/21/1009829521.db2.gz GMNLWTJKVXFNEQ-MRXNPFEDSA-N 1 0 355.438 2.635 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000862760112 1009962099 /nfs/dbraw/zinc/96/20/99/1009962099.db2.gz MNXXLJWIIVBUQC-UHFFFAOYSA-N 1 0 353.466 2.529 20 10 FFCDRO C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669914 1010047330 /nfs/dbraw/zinc/04/73/30/1010047330.db2.gz HAXZVARZZKFLSV-INIZCTEOSA-N 1 0 356.470 2.934 20 10 FFCDRO C[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093240801 1010147748 /nfs/dbraw/zinc/14/77/48/1010147748.db2.gz IGWOKZQIULBSBG-FLIBDRRTSA-N 1 0 363.849 2.899 20 10 FFCDRO C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000863891468 1010347852 /nfs/dbraw/zinc/34/78/52/1010347852.db2.gz REOIKCRTAPPNKR-CQSZACIVSA-N 1 0 367.440 2.857 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]2C)cc1C ZINC001093651153 1010417645 /nfs/dbraw/zinc/41/76/45/1010417645.db2.gz XEFBLEUVUGUUOO-QRQLOZEOSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc[nH]c(=O)c3)C[C@H]2C)cc1C ZINC001093711574 1010488283 /nfs/dbraw/zinc/48/82/83/1010488283.db2.gz IJHNLZBHDNWQIN-CRAIPNDOSA-N 1 0 369.465 2.602 20 10 FFCDRO COC(=O)C[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000774207413 1010509648 /nfs/dbraw/zinc/50/96/48/1010509648.db2.gz JOBOCMDYZFDXKW-HNNXBMFYSA-N 1 0 372.465 2.903 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC000866077304 1010922264 /nfs/dbraw/zinc/92/22/64/1010922264.db2.gz BGCKFWFQDTURTH-UHFFFAOYSA-N 1 0 356.474 2.538 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccn1 ZINC000866266420 1010965551 /nfs/dbraw/zinc/96/55/51/1010965551.db2.gz IFHAFULPUAFXEQ-FQEVSTJZSA-N 1 0 373.522 2.803 20 10 FFCDRO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000866522780 1011009602 /nfs/dbraw/zinc/00/96/02/1011009602.db2.gz YYNDDEHGKLTANN-CJNGLKHVSA-N 1 0 374.359 2.673 20 10 FFCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000121161585 1011036780 /nfs/dbraw/zinc/03/67/80/1011036780.db2.gz CCYPOPFAGTUJIU-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO CCOc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c(O)c1 ZINC000777495194 1011326307 /nfs/dbraw/zinc/32/63/07/1011326307.db2.gz WVEHRAMCCBYHNN-UHFFFAOYSA-N 1 0 371.437 2.873 20 10 FFCDRO CCc1nc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c(C)o1 ZINC000796235142 1011432505 /nfs/dbraw/zinc/43/25/05/1011432505.db2.gz XEWDPFXCSYFNCA-UHFFFAOYSA-N 1 0 374.460 2.756 20 10 FFCDRO c1ccc(CN2CCc3cc(C[NH2+]CCN4CCOCC4)ccc32)cc1 ZINC000796257274 1011552699 /nfs/dbraw/zinc/55/26/99/1011552699.db2.gz JKFSVLFWACKESV-UHFFFAOYSA-N 1 0 351.494 2.671 20 10 FFCDRO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001275034706 1011842110 /nfs/dbraw/zinc/84/21/10/1011842110.db2.gz KTFLWHOVIDAGMI-KRWDZBQOSA-N 1 0 372.387 2.865 20 10 FFCDRO CC(C)CC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275094420 1011924629 /nfs/dbraw/zinc/92/46/29/1011924629.db2.gz WZWAARBDPCAVDF-OAQYLSRUSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000828108204 1032601274 /nfs/dbraw/zinc/60/12/74/1032601274.db2.gz HLJWOIKLTPVCQI-UHFFFAOYSA-N 1 0 362.481 2.810 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001275237589 1012126970 /nfs/dbraw/zinc/12/69/70/1012126970.db2.gz CMONNHBYWWGFOK-OAQYLSRUSA-N 1 0 358.482 2.718 20 10 FFCDRO O=C(c1ccc(F)cc1)N1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001172997192 1012166804 /nfs/dbraw/zinc/16/68/04/1012166804.db2.gz UVZZQHSZELFGLZ-UHFFFAOYSA-N 1 0 358.413 2.674 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCOC1 ZINC000796363659 1012357406 /nfs/dbraw/zinc/35/74/06/1012357406.db2.gz QTLSASWIQYVXCS-YADHBBJMSA-N 1 0 366.505 2.984 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C1=O ZINC001275597454 1012665962 /nfs/dbraw/zinc/66/59/62/1012665962.db2.gz HKTPRBCAXIOEPZ-NRFANRHFSA-N 1 0 359.514 2.745 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275598493 1012675431 /nfs/dbraw/zinc/67/54/31/1012675431.db2.gz PSVNWJHYUIXTPJ-IERDGZPVSA-N 1 0 357.498 2.892 20 10 FFCDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888583908 1013019503 /nfs/dbraw/zinc/01/95/03/1013019503.db2.gz RCJAGOLRSVRFFG-GASCZTMLSA-N 1 0 364.453 2.858 20 10 FFCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926874877 1018276219 /nfs/dbraw/zinc/27/62/19/1018276219.db2.gz XPDCLUHQXZPAMD-WIYYLYMNSA-N 1 0 361.530 2.808 20 10 FFCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000827662733 1018603464 /nfs/dbraw/zinc/60/34/64/1018603464.db2.gz UJAJHCFFLINOGS-UHFFFAOYSA-N 1 0 354.450 2.724 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000382469949 1019062655 /nfs/dbraw/zinc/06/26/55/1019062655.db2.gz PAUPFOAKHDXOLW-TZMCWYRMSA-N 1 0 364.442 2.904 20 10 FFCDRO Cc1ccc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC001222211410 1032824662 /nfs/dbraw/zinc/82/46/62/1032824662.db2.gz MWKHUQSRIBRPDT-LJQANCHMSA-N 1 0 358.486 2.799 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)c1 ZINC000930216516 1019928112 /nfs/dbraw/zinc/92/81/12/1019928112.db2.gz JQURSOKANGXCOD-DZGCQCFKSA-N 1 0 356.422 2.973 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC([C@H]4COC(=O)N4)CC3)c2c1 ZINC000902515432 1020248209 /nfs/dbraw/zinc/24/82/09/1020248209.db2.gz XHTSCWOPXBPVMG-GOSISDBHSA-N 1 0 356.422 2.874 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000931263870 1020394312 /nfs/dbraw/zinc/39/43/12/1020394312.db2.gz XBTSUFHPPFYEQE-AQNXPRMDSA-N 1 0 358.482 2.687 20 10 FFCDRO Cc1cc(O[C@@H]2CCCC[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217971814 1032925696 /nfs/dbraw/zinc/92/56/96/1032925696.db2.gz XLCYIRPYWBKIIJ-CYBMUJFWSA-N 1 0 351.402 2.997 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc2c(cc1O)CCCC2 ZINC000903399169 1020823360 /nfs/dbraw/zinc/82/33/60/1020823360.db2.gz VPTVAIGZNZWJAO-BBRMVZONSA-N 1 0 354.454 2.696 20 10 FFCDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000829003017 1032940977 /nfs/dbraw/zinc/94/09/77/1032940977.db2.gz HCCOFLFBDBHVFD-MOPGFXCFSA-N 1 0 354.450 2.990 20 10 FFCDRO C[C@H](Oc1cccc2c1C(=O)c1cccc(O)c1C2=O)C1CC[NH2+]CC1 ZINC001218004327 1032945249 /nfs/dbraw/zinc/94/52/49/1032945249.db2.gz FGELFCAUMKQJGL-LBPRGKRZSA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001098480388 1020949921 /nfs/dbraw/zinc/94/99/21/1020949921.db2.gz FKNNRWQTTHGKBE-SRMUXQRQSA-N 1 0 361.421 2.932 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+]CC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218020524 1032956245 /nfs/dbraw/zinc/95/62/45/1032956245.db2.gz UAUCIVSIKYOUGP-HZPDHXFCSA-N 1 0 369.392 2.940 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2F)CC1 ZINC001116440663 1021217215 /nfs/dbraw/zinc/21/72/15/1021217215.db2.gz XRLGDASXQXLQIN-KRWDZBQOSA-N 1 0 357.477 2.680 20 10 FFCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116755296 1021397903 /nfs/dbraw/zinc/39/79/03/1021397903.db2.gz CFAFFZICTGUUAR-OAQYLSRUSA-N 1 0 363.521 2.951 20 10 FFCDRO C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001116762773 1021401196 /nfs/dbraw/zinc/40/11/96/1021401196.db2.gz GYBNLABEGGBJIC-UTKZUKDTSA-N 1 0 367.493 2.990 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(O)ccc4C3)cc2F)CC1 ZINC001116824455 1021439079 /nfs/dbraw/zinc/43/90/79/1021439079.db2.gz XANDGDPKJKTATA-IBGZPJMESA-N 1 0 369.484 2.930 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCc4[nH]c(=O)ccc43)cc2F)CC1 ZINC001117583739 1021767563 /nfs/dbraw/zinc/76/75/63/1021767563.db2.gz WRMHJILCPAHPIB-GOSISDBHSA-N 1 0 370.472 2.845 20 10 FFCDRO COCCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276367655 1021784866 /nfs/dbraw/zinc/78/48/66/1021784866.db2.gz MHCRTCICQDVTGI-OAQYLSRUSA-N 1 0 359.514 2.604 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc2F)CC1 ZINC001117788937 1021891046 /nfs/dbraw/zinc/89/10/46/1021891046.db2.gz CFUDYLMVUJJBEX-QGZVFWFLSA-N 1 0 351.510 2.806 20 10 FFCDRO O=C1c2cccc(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)c2C(=O)c2cccc(O)c21 ZINC001218147285 1033017221 /nfs/dbraw/zinc/01/72/21/1033017221.db2.gz VAULZCNFVQTPFL-ISTRZQFTSA-N 1 0 363.413 2.935 20 10 FFCDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC001118640886 1022332207 /nfs/dbraw/zinc/33/22/07/1022332207.db2.gz VFQQNTBKZNZIPP-UKRRQHHQSA-N 1 0 366.259 2.898 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]C3CC(OC(C)(C)C)C3)CC2)cc1 ZINC000779034641 1022682770 /nfs/dbraw/zinc/68/27/70/1022682770.db2.gz DSOSEUYCSPTOTE-UHFFFAOYSA-N 1 0 361.530 2.753 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(O)c(O)cc2O)N1CC1CCCC1 ZINC001276780477 1033090865 /nfs/dbraw/zinc/09/08/65/1033090865.db2.gz NQWZEFUWWYXZOU-HZPDHXFCSA-N 1 0 360.454 2.559 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276780028 1033088759 /nfs/dbraw/zinc/08/87/59/1033088759.db2.gz JCLBPLOYWWNRES-XOBRGWDASA-N 1 0 362.470 2.807 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218311421 1033099096 /nfs/dbraw/zinc/09/90/96/1033099096.db2.gz KMIAFSIYHOPTLS-MRXNPFEDSA-N 1 0 351.402 2.935 20 10 FFCDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000752074732 1023048562 /nfs/dbraw/zinc/04/85/62/1023048562.db2.gz GWAFSKVLMBSKLJ-GHTZIAJQSA-N 1 0 361.530 2.846 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189074711 1023201079 /nfs/dbraw/zinc/20/10/79/1023201079.db2.gz CAWHHKJYYHYELN-MNDMWVCDSA-N 1 0 359.426 2.846 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC001120566695 1023364237 /nfs/dbraw/zinc/36/42/37/1023364237.db2.gz BMTWICVWOSJAQE-WDUKFBBWSA-N 1 0 369.465 2.820 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001120670757 1023413907 /nfs/dbraw/zinc/41/39/07/1023413907.db2.gz MDQGYJPLMCOMSR-QAQDUYKDSA-N 1 0 356.470 2.795 20 10 FFCDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(C)nn(C)c1C ZINC000754429395 1023469191 /nfs/dbraw/zinc/46/91/91/1023469191.db2.gz SXRVJXOBJJIBMF-LJQANCHMSA-N 1 0 371.529 2.802 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)ccc1O ZINC000756524446 1023722927 /nfs/dbraw/zinc/72/29/27/1023722927.db2.gz JEQQNPQJLOGCER-JEOXALJRSA-N 1 0 373.840 2.951 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c1C ZINC000756527497 1023723016 /nfs/dbraw/zinc/72/30/16/1023723016.db2.gz YZPTWKFYXCUZMT-LHSJRXKWSA-N 1 0 367.449 2.914 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000756689774 1023744877 /nfs/dbraw/zinc/74/48/77/1023744877.db2.gz INHRPMTVRWESII-HXUWFJFHSA-N 1 0 370.541 2.942 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756858281 1023760231 /nfs/dbraw/zinc/76/02/31/1023760231.db2.gz UFKMEMNGXZQHFB-KSSFIOAISA-N 1 0 360.429 2.556 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218460918 1033166961 /nfs/dbraw/zinc/16/69/61/1033166961.db2.gz OWBSMBVNCXLMGU-ISTRZQFTSA-N 1 0 363.413 2.853 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000078503423 1023860356 /nfs/dbraw/zinc/86/03/56/1023860356.db2.gz GHKWDCFCTGXFFV-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCCCC34CC[NH2+]CC4)CC2)cc1 ZINC001121898297 1024149596 /nfs/dbraw/zinc/14/95/96/1024149596.db2.gz ZGPPQXPTBFWZRW-FQEVSTJZSA-N 1 0 371.525 2.904 20 10 FFCDRO [NH3+]C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC001122154195 1024390262 /nfs/dbraw/zinc/39/02/62/1024390262.db2.gz KOFMWRXXCMRFDS-NRFANRHFSA-N 1 0 373.541 2.809 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)ccc21 ZINC001141140734 1025507574 /nfs/dbraw/zinc/50/75/74/1025507574.db2.gz JSCVLGPKYRBUOE-FUHWJXTLSA-N 1 0 369.490 2.957 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)ccc21 ZINC001141142068 1025511105 /nfs/dbraw/zinc/51/11/05/1025511105.db2.gz DVEAFQOFKRGNOO-DLBZAZTESA-N 1 0 373.497 2.956 20 10 FFCDRO COc1cccc(OC2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)n1 ZINC001141146323 1025524884 /nfs/dbraw/zinc/52/48/84/1025524884.db2.gz SGEGQUGUISYVBN-UHFFFAOYSA-N 1 0 369.465 2.962 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001141159738 1025542275 /nfs/dbraw/zinc/54/22/75/1025542275.db2.gz JIPKSZXWIOBLIZ-OXJNMPFZSA-N 1 0 374.412 2.834 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090178631 1026051764 /nfs/dbraw/zinc/05/17/64/1026051764.db2.gz JAIURSIGHWBKDZ-GOEBONIOSA-N 1 0 363.477 2.712 20 10 FFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146620 1026605538 /nfs/dbraw/zinc/60/55/38/1026605538.db2.gz ONQLKBACFWYXLF-AWEZNQCLSA-N 1 0 369.456 2.538 20 10 FFCDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839515370 1026710423 /nfs/dbraw/zinc/71/04/23/1026710423.db2.gz XWSAMSKUQFXGEC-UHFFFAOYSA-N 1 0 355.482 2.902 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000247110084 1026713509 /nfs/dbraw/zinc/71/35/09/1026713509.db2.gz VTSJFLFMLCRUKS-ZWKOTPCHSA-N 1 0 356.514 2.982 20 10 FFCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@H+](Cc2ccccc2)C1 ZINC000840136833 1026975767 /nfs/dbraw/zinc/97/57/67/1026975767.db2.gz WTCCSZHILRHUDS-HRAATJIYSA-N 1 0 368.477 2.772 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000840261289 1027025381 /nfs/dbraw/zinc/02/53/81/1027025381.db2.gz MLCODNAEXDFQIJ-FFZOFVMBSA-N 1 0 358.530 2.918 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840477878 1027088135 /nfs/dbraw/zinc/08/81/35/1027088135.db2.gz AWKZUNNGYCKZST-ROUUACIJSA-N 1 0 360.546 2.975 20 10 FFCDRO COc1cccc(OCCN2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000093761982 1027822117 /nfs/dbraw/zinc/82/21/17/1027822117.db2.gz WGIPZSQKIXZKMT-UHFFFAOYSA-N 1 0 372.465 2.606 20 10 FFCDRO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3oc2=O)CC1 ZINC001155235888 1028642059 /nfs/dbraw/zinc/64/20/59/1028642059.db2.gz SRRXBXBYOJKHRX-OKILXGFUSA-N 1 0 374.437 2.587 20 10 FFCDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156657249 1029291734 /nfs/dbraw/zinc/29/17/34/1029291734.db2.gz JLVFKGFAQVFTKF-UHFFFAOYSA-N 1 0 355.442 2.971 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001157431928 1029585193 /nfs/dbraw/zinc/58/51/93/1029585193.db2.gz BITOIPRRUGUHAY-CZUORRHYSA-N 1 0 352.425 2.993 20 10 FFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841045269 1030000823 /nfs/dbraw/zinc/00/08/23/1030000823.db2.gz JPUSDFBMPWQLEH-MGPUTAFESA-N 1 0 370.497 2.768 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000841308786 1030179139 /nfs/dbraw/zinc/17/91/39/1030179139.db2.gz VNYHIGPPHDWSPF-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841332041 1030204052 /nfs/dbraw/zinc/20/40/52/1030204052.db2.gz LOSPJOGPQZOLLC-UHFFFAOYSA-N 1 0 370.428 2.587 20 10 FFCDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000841689402 1030406375 /nfs/dbraw/zinc/40/63/75/1030406375.db2.gz CQLVZWMVVCLZBC-MAUKXSAKSA-N 1 0 356.422 2.565 20 10 FFCDRO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000841741625 1030440803 /nfs/dbraw/zinc/44/08/03/1030440803.db2.gz OOYGABSZDHYGSO-INIZCTEOSA-N 1 0 360.502 2.545 20 10 FFCDRO CCC[NH2+]CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843953 1030498356 /nfs/dbraw/zinc/49/83/56/1030498356.db2.gz QNKBPVJTWVSATE-CQSZACIVSA-N 1 0 370.444 2.556 20 10 FFCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841864324 1030506964 /nfs/dbraw/zinc/50/69/64/1030506964.db2.gz XGVISFPFCOUJFI-INIZCTEOSA-N 1 0 367.497 2.731 20 10 FFCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841948812 1030556881 /nfs/dbraw/zinc/55/68/81/1030556881.db2.gz LUHVBWVIADGNPV-SZMVWBNQSA-N 1 0 361.486 2.600 20 10 FFCDRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517251 1030566201 /nfs/dbraw/zinc/56/62/01/1030566201.db2.gz GPLARDVFHWTGJM-HNNXBMFYSA-N 1 0 373.403 2.704 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699642181 1030700103 /nfs/dbraw/zinc/70/01/03/1030700103.db2.gz XGCSBYWXGDUBOU-QAPCUYQASA-N 1 0 363.502 2.867 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1O)CCO2 ZINC001203550244 1030761462 /nfs/dbraw/zinc/76/14/62/1030761462.db2.gz NZCNXGYPPJJSHU-FQEVSTJZSA-N 1 0 362.470 2.994 20 10 FFCDRO O=C1[C@@H]2CCC[N@@H+](Cc3ccccc3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001203555715 1030763212 /nfs/dbraw/zinc/76/32/12/1030763212.db2.gz DHKATSQRQBJDBY-MJGOQNOKSA-N 1 0 350.418 2.542 20 10 FFCDRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC001203560855 1030767492 /nfs/dbraw/zinc/76/74/92/1030767492.db2.gz IDTXNDJZCUFFRG-LJQANCHMSA-N 1 0 354.450 2.642 20 10 FFCDRO COc1cccc(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1O ZINC001203592300 1030775759 /nfs/dbraw/zinc/77/57/59/1030775759.db2.gz SJWCKROCWMNJQK-HOTGVXAUSA-N 1 0 358.463 2.666 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c1O ZINC001203591318 1030776976 /nfs/dbraw/zinc/77/69/76/1030776976.db2.gz HDYKZVTTWUYVGB-INIZCTEOSA-N 1 0 357.454 2.673 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c1O ZINC001203613651 1030786487 /nfs/dbraw/zinc/78/64/87/1030786487.db2.gz CQLKKYVGAYLNTA-MRXNPFEDSA-N 1 0 364.486 2.687 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c1O ZINC001203610202 1030786621 /nfs/dbraw/zinc/78/66/21/1030786621.db2.gz YWFHGNWSCWGZLG-BCDXTJNWSA-N 1 0 370.449 2.768 20 10 FFCDRO COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c(O)c1 ZINC001203623915 1030792365 /nfs/dbraw/zinc/79/23/65/1030792365.db2.gz YCXZLONFBODYPD-HZPDHXFCSA-N 1 0 358.463 2.666 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c(O)c1 ZINC001203623445 1030793554 /nfs/dbraw/zinc/79/35/54/1030793554.db2.gz QXDMJRBDXLQMLF-PXNSSMCTSA-N 1 0 356.422 2.608 20 10 FFCDRO COc1ccc(C[NH+]2CCN(C[C@H](OC)c3ccccc3)CC2)c(O)c1 ZINC001203634694 1030797283 /nfs/dbraw/zinc/79/72/83/1030797283.db2.gz RGPWVLABLOIBCX-NRFANRHFSA-N 1 0 356.466 2.906 20 10 FFCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203642793 1030800069 /nfs/dbraw/zinc/80/00/69/1030800069.db2.gz KUILYQXQQWGHQL-AWEZNQCLSA-N 1 0 367.287 2.845 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC001203671773 1030819595 /nfs/dbraw/zinc/81/95/95/1030819595.db2.gz XGSUIIBZUSPWBV-HXUWFJFHSA-N 1 0 354.454 2.683 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1 ZINC001203673159 1030821699 /nfs/dbraw/zinc/82/16/99/1030821699.db2.gz PFBYYSCXRZYOIP-XFQXTVEOSA-N 1 0 370.449 2.854 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1O ZINC000842635115 1030859843 /nfs/dbraw/zinc/85/98/43/1030859843.db2.gz JICUJYSMMVSDSL-QGZVFWFLSA-N 1 0 354.450 2.848 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c(O)c1 ZINC000842721535 1030923358 /nfs/dbraw/zinc/92/33/58/1030923358.db2.gz HOGGPQXQZRFGSO-QGZVFWFLSA-N 1 0 374.456 2.933 20 10 FFCDRO COCC[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203881522 1030956039 /nfs/dbraw/zinc/95/60/39/1030956039.db2.gz QGDBKISWPMUPCO-HNNXBMFYSA-N 1 0 366.458 2.556 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@@H]3CC2)cc1 ZINC001203940760 1030998184 /nfs/dbraw/zinc/99/81/84/1030998184.db2.gz YPZCZLPWHWUTCN-NHCUHLMSSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001203960973 1031013371 /nfs/dbraw/zinc/01/33/71/1031013371.db2.gz LAATVZPZMJSJBE-SFHVURJKSA-N 1 0 350.526 2.643 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1O ZINC001204341990 1031238304 /nfs/dbraw/zinc/23/83/04/1031238304.db2.gz NBIUGIRTLKZEEW-CQSZACIVSA-N 1 0 371.275 2.606 20 10 FFCDRO CCOC(=O)Cc1ccc2c(c1)CN(Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001204342420 1031238665 /nfs/dbraw/zinc/23/86/65/1031238665.db2.gz LUKHXJSLTLWXGQ-UHFFFAOYSA-N 1 0 371.433 2.770 20 10 FFCDRO CC(C)(C)c1cccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1O ZINC001143112251 1031242536 /nfs/dbraw/zinc/24/25/36/1031242536.db2.gz NCDUSAGSJIYSRU-UHFFFAOYSA-N 1 0 368.481 2.506 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC001204491274 1031313578 /nfs/dbraw/zinc/31/35/78/1031313578.db2.gz LYMPBBVZLJSFBO-UHFFFAOYSA-N 1 0 368.477 2.969 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCCOC1CCCCC1 ZINC000843349821 1031340036 /nfs/dbraw/zinc/34/00/36/1031340036.db2.gz FDEWPXYNLYQHNL-UHFFFAOYSA-N 1 0 359.514 2.754 20 10 FFCDRO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349724 1031343248 /nfs/dbraw/zinc/34/32/48/1031343248.db2.gz JUDZBNRCWIMBJZ-CYBMUJFWSA-N 1 0 353.422 2.654 20 10 FFCDRO COc1ccc(OCCN2CCCc3cc(C[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC000843350955 1031343688 /nfs/dbraw/zinc/34/36/88/1031343688.db2.gz YUIOZEKMVRXPMG-UHFFFAOYSA-N 1 0 357.410 2.894 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1COCC[NH2+]1 ZINC000843487493 1031425079 /nfs/dbraw/zinc/42/50/79/1031425079.db2.gz HSQDTMRWHRIOIL-LPHOPBHVSA-N 1 0 354.450 2.861 20 10 FFCDRO CCC/C=C\[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150355586 1031702846 /nfs/dbraw/zinc/70/28/46/1031702846.db2.gz YKOHJUHZSBOGNG-AZTQUHGTSA-N 1 0 366.889 2.843 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000799716551 1031863391 /nfs/dbraw/zinc/86/33/91/1031863391.db2.gz UQIJWXNWHCHBMT-KRWDZBQOSA-N 1 0 355.482 2.874 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(O)c1 ZINC000799715178 1031864427 /nfs/dbraw/zinc/86/44/27/1031864427.db2.gz MSILUWHWYUMZGZ-CRAIPNDOSA-N 1 0 353.466 2.945 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001205706439 1031945978 /nfs/dbraw/zinc/94/59/78/1031945978.db2.gz JGZYWYXPEGALLZ-KGLIPLIRSA-N 1 0 366.458 2.687 20 10 FFCDRO COc1cc(Br)cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205763408 1031980315 /nfs/dbraw/zinc/98/03/15/1031980315.db2.gz PUIGRAJGSSBSEM-JTQLQIEISA-N 1 0 365.218 2.579 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)cc1 ZINC001219492832 1033668872 /nfs/dbraw/zinc/66/88/72/1033668872.db2.gz CCSVHHLQUSONNE-UHFFFAOYSA-N 1 0 353.426 2.851 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000830954002 1033876447 /nfs/dbraw/zinc/87/64/47/1033876447.db2.gz QHDIHTNOLFNPEK-PWRODBHTSA-N 1 0 373.541 2.727 20 10 FFCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000831133157 1033959861 /nfs/dbraw/zinc/95/98/61/1033959861.db2.gz RYPNQKQCTLMHRJ-BFHYXJOUSA-N 1 0 370.444 2.682 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000831322351 1034036059 /nfs/dbraw/zinc/03/60/59/1034036059.db2.gz VFLKBKCRVIHFRJ-RLLQIKCJSA-N 1 0 359.514 2.504 20 10 FFCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001220212705 1034048713 /nfs/dbraw/zinc/04/87/13/1034048713.db2.gz SUKZFQVAKOYNPI-KRWDZBQOSA-N 1 0 367.836 2.925 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3ccc(N)cc3)c2)CC1 ZINC000831491204 1034100168 /nfs/dbraw/zinc/10/01/68/1034100168.db2.gz VSAFYLXUSOBPOR-UHFFFAOYSA-N 1 0 352.482 2.980 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 ZINC000831578065 1034131485 /nfs/dbraw/zinc/13/14/85/1034131485.db2.gz WEYSGFHFNVSWMS-HZPDHXFCSA-N 1 0 369.431 2.985 20 10 FFCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341503 1034173094 /nfs/dbraw/zinc/17/30/94/1034173094.db2.gz QYNTVMLVUXSCHF-ALKREAHSSA-N 1 0 356.466 2.617 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)C1=O ZINC001138355913 1034192934 /nfs/dbraw/zinc/19/29/34/1034192934.db2.gz BVCZUTMNKPIFSQ-JOCHJYFZSA-N 1 0 371.525 2.530 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138357802 1034194448 /nfs/dbraw/zinc/19/44/48/1034194448.db2.gz KXISKLNFQCJNBY-UHFFFAOYSA-N 1 0 371.525 2.672 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c(OC)c1 ZINC001138390500 1034225553 /nfs/dbraw/zinc/22/55/53/1034225553.db2.gz ZBVNCQIDBMAIGM-UHFFFAOYSA-N 1 0 373.497 2.560 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c(OC)c1 ZINC001138389235 1034225802 /nfs/dbraw/zinc/22/58/02/1034225802.db2.gz GYYJFJVSKSLXOH-UHFFFAOYSA-N 1 0 361.486 2.958 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000831727297 1034245580 /nfs/dbraw/zinc/24/55/80/1034245580.db2.gz LMNMIAYCSJGFPT-ZWKOTPCHSA-N 1 0 352.482 2.951 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])c3ccccc3C)C2)cc1 ZINC000831748552 1034256142 /nfs/dbraw/zinc/25/61/42/1034256142.db2.gz GGEHEMSYSXZCQN-UZLBHIALSA-N 1 0 353.466 2.646 20 10 FFCDRO Cc1cc(CC(=O)NC2(CCO)CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000831786028 1034284609 /nfs/dbraw/zinc/28/46/09/1034284609.db2.gz SIZVGHSNRRNVTH-UHFFFAOYSA-N 1 0 369.509 2.600 20 10 FFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496760 1034334875 /nfs/dbraw/zinc/33/48/75/1034334875.db2.gz TUENPKFPPFILKI-LEWJYISDSA-N 1 0 360.498 2.683 20 10 FFCDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138497924 1034337420 /nfs/dbraw/zinc/33/74/20/1034337420.db2.gz QNWZMHHMIJPGHG-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001138607327 1034460846 /nfs/dbraw/zinc/46/08/46/1034460846.db2.gz KQWLGAUATKQGKX-SFHVURJKSA-N 1 0 356.466 2.913 20 10 FFCDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676389 1034537049 /nfs/dbraw/zinc/53/70/49/1034537049.db2.gz HRVQQOOWASFBOH-HNNXBMFYSA-N 1 0 369.303 2.754 20 10 FFCDRO Cc1onc(-c2ccccn2)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267235 1034688137 /nfs/dbraw/zinc/68/81/37/1034688137.db2.gz OPEYVIHSLYUHAT-MRXNPFEDSA-N 1 0 365.437 2.541 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000832282494 1034700853 /nfs/dbraw/zinc/70/08/53/1034700853.db2.gz ZZBMMTUGBQHNED-AWEZNQCLSA-N 1 0 373.407 2.996 20 10 FFCDRO Cc1cc2c(cc1C)[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CO2 ZINC000832284217 1034701218 /nfs/dbraw/zinc/70/12/18/1034701218.db2.gz IIBJCXWLWULPLE-RTBURBONSA-N 1 0 353.466 2.662 20 10 FFCDRO COc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832285137 1034702768 /nfs/dbraw/zinc/70/27/68/1034702768.db2.gz OOXKLKVMMALOBY-GOSISDBHSA-N 1 0 371.481 2.519 20 10 FFCDRO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299417 1034713522 /nfs/dbraw/zinc/71/35/22/1034713522.db2.gz AMHSFLPEQFKGQE-HNNXBMFYSA-N 1 0 366.387 2.905 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC001139097301 1034933346 /nfs/dbraw/zinc/93/33/46/1034933346.db2.gz XALTZGPRQRFWHR-UHFFFAOYSA-N 1 0 364.453 2.588 20 10 FFCDRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140054870 1035324898 /nfs/dbraw/zinc/32/48/98/1035324898.db2.gz ZASOTMPKJBHFEN-XLIONFOSSA-N 1 0 372.444 2.581 20 10 FFCDRO CC(=O)N1CCC2(C1)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140100651 1035341975 /nfs/dbraw/zinc/34/19/75/1035341975.db2.gz YGUICHVXJYWWCY-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1O ZINC001140180463 1035369961 /nfs/dbraw/zinc/36/99/61/1035369961.db2.gz XDDXJGJXIJUCBM-ILZDJORESA-N 1 0 369.465 2.857 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1O ZINC001140181013 1035370570 /nfs/dbraw/zinc/37/05/70/1035370570.db2.gz SQLBUOCNWVYVDY-UHFFFAOYSA-N 1 0 365.477 2.938 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c1O ZINC001140181911 1035370993 /nfs/dbraw/zinc/37/09/93/1035370993.db2.gz ZGIBFOMPFOIGMU-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO O=C(COc1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cc1)NC1CC1 ZINC000834523021 1035403556 /nfs/dbraw/zinc/40/35/56/1035403556.db2.gz NOBSDBMGSUYEHJ-LJQANCHMSA-N 1 0 366.461 2.869 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001140282973 1035417642 /nfs/dbraw/zinc/41/76/42/1035417642.db2.gz MHOQHNQTKJRJCG-KDOFPFPSSA-N 1 0 372.431 2.783 20 10 FFCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CCOc1ccccc1 ZINC000834669389 1035426777 /nfs/dbraw/zinc/42/67/77/1035426777.db2.gz XLJOTAKDENCCTA-FUHWJXTLSA-N 1 0 352.434 2.649 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCN(C(=O)CC(C)C)CC3)cc2)CC1 ZINC001140305671 1035427669 /nfs/dbraw/zinc/42/76/69/1035427669.db2.gz FJNNUPWOQSGNJA-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)CC1 ZINC001140464930 1035485387 /nfs/dbraw/zinc/48/53/87/1035485387.db2.gz FEGMCPDBGWABQM-UHFFFAOYSA-N 1 0 365.905 2.564 20 10 FFCDRO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140464827 1035485433 /nfs/dbraw/zinc/48/54/33/1035485433.db2.gz CYLXNSCYDZMYGJ-IYBDPMFKSA-N 1 0 357.841 2.645 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001277204092 1035523305 /nfs/dbraw/zinc/52/33/05/1035523305.db2.gz CLLKIOPVYYQUKS-OAQYLSRUSA-N 1 0 360.498 2.860 20 10 FFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232264358 1035534976 /nfs/dbraw/zinc/53/49/76/1035534976.db2.gz ALHNREKTACZMDV-HNNXBMFYSA-N 1 0 354.878 2.826 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)c2ccccc2n1C ZINC001232405163 1035653184 /nfs/dbraw/zinc/65/31/84/1035653184.db2.gz HJMJKPOTGVGZRX-HXUWFJFHSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)cc1Cl ZINC001277665738 1035692837 /nfs/dbraw/zinc/69/28/37/1035692837.db2.gz KVYBTFUXJQOBGS-QGZVFWFLSA-N 1 0 374.815 2.744 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001140617293 1035735700 /nfs/dbraw/zinc/73/57/00/1035735700.db2.gz LJXYLFRFBNVRNN-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001140664668 1035819444 /nfs/dbraw/zinc/81/94/44/1035819444.db2.gz OBENPYCXBQGCOM-MRXNPFEDSA-N 1 0 352.425 2.755 20 10 FFCDRO Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4ccc(N(C)C)cc4O)C[C@@H]3C2)nn1 ZINC001232836013 1036091110 /nfs/dbraw/zinc/09/11/10/1036091110.db2.gz JSHQIDKZEACDQA-SJLPKXTDSA-N 1 0 367.497 2.515 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)c(O)c1 ZINC001232839299 1036094355 /nfs/dbraw/zinc/09/43/55/1036094355.db2.gz FFAGNHUABWEMKY-UHFFFAOYSA-N 1 0 369.465 2.552 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(O)c1 ZINC001232841047 1036097153 /nfs/dbraw/zinc/09/71/53/1036097153.db2.gz QSPOSBRHKGDNBU-UHFFFAOYSA-N 1 0 369.465 2.601 20 10 FFCDRO C[C@H]1CCC[N@H+](Cc2ccc(I)cc2O)[C@@H]1CO ZINC001232973895 1036202394 /nfs/dbraw/zinc/20/23/94/1036202394.db2.gz DKXUAQPHBLCDKS-GXFFZTMASA-N 1 0 361.223 2.590 20 10 FFCDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(I)cc3O)C2)C1 ZINC001232978273 1036211931 /nfs/dbraw/zinc/21/19/31/1036211931.db2.gz DQMGIQSDTCTHRY-HNNXBMFYSA-N 1 0 372.250 2.524 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014590 1036248579 /nfs/dbraw/zinc/24/85/79/1036248579.db2.gz WCYLIJDXNGNFCS-UONOGXRCSA-N 1 0 364.442 2.635 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2Cc3cn(C)nc3[C@H](COC)C2)c(O)c1 ZINC001140853209 1036286300 /nfs/dbraw/zinc/28/63/00/1036286300.db2.gz PLMMEZICFPQQQB-KRWDZBQOSA-N 1 0 358.486 2.718 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ccnc(OC)c3)CC2)c(O)c1 ZINC001140856787 1036294977 /nfs/dbraw/zinc/29/49/77/1036294977.db2.gz HZMFQBNWDOZHQA-UHFFFAOYSA-N 1 0 370.497 2.964 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001140857585 1036295093 /nfs/dbraw/zinc/29/50/93/1036295093.db2.gz RZTKDCNWNXVQPY-UHFFFAOYSA-N 1 0 355.486 2.659 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233138946 1036390160 /nfs/dbraw/zinc/39/01/60/1036390160.db2.gz FQQRABXEUIEMIR-UHFFFAOYSA-N 1 0 371.275 2.654 20 10 FFCDRO CCOC(=O)c1c(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c2ccccc2n1C ZINC001233272748 1036480744 /nfs/dbraw/zinc/48/07/44/1036480744.db2.gz YYWSPYXIBUOPSD-KXBFYZLASA-N 1 0 355.482 2.881 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001140948238 1036539627 /nfs/dbraw/zinc/53/96/27/1036539627.db2.gz ZCGSSPVGIJDVBA-WMZOPIPTSA-N 1 0 362.470 2.911 20 10 FFCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233483547 1036650710 /nfs/dbraw/zinc/65/07/10/1036650710.db2.gz CXSRRVIXEHAXHT-CYBMUJFWSA-N 1 0 352.431 2.635 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001233482807 1036650800 /nfs/dbraw/zinc/65/08/00/1036650800.db2.gz CHMFAIYWLXFTKS-TZMCWYRMSA-N 1 0 366.458 2.786 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487758 1036655115 /nfs/dbraw/zinc/65/51/15/1036655115.db2.gz RDFGLTOLZPZDCD-GOSISDBHSA-N 1 0 352.431 2.540 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233486948 1036656176 /nfs/dbraw/zinc/65/61/76/1036656176.db2.gz JFQLYBPMBXHYFN-YPMHNXCESA-N 1 0 352.431 2.539 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233487568 1036656257 /nfs/dbraw/zinc/65/62/57/1036656257.db2.gz JRJXTMUFJUCEQQ-IACUBPJLSA-N 1 0 364.442 2.539 20 10 FFCDRO O=C1NCCCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233760879 1036750227 /nfs/dbraw/zinc/75/02/27/1036750227.db2.gz MWDPGIXCFVEXJE-UHFFFAOYSA-N 1 0 358.360 2.783 20 10 FFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)C1=O ZINC001277813642 1036794616 /nfs/dbraw/zinc/79/46/16/1036794616.db2.gz QPSCOSIHCRFCJF-HXUWFJFHSA-N 1 0 362.470 2.776 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)C1=O ZINC001277439740 1037032924 /nfs/dbraw/zinc/03/29/24/1037032924.db2.gz QTPXRQWVRKAFJX-IBGZPJMESA-N 1 0 366.889 2.957 20 10 FFCDRO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562422 1037087526 /nfs/dbraw/zinc/08/75/26/1037087526.db2.gz NJKIWAJVUINEAP-MUJYYYPQSA-N 1 0 371.433 2.706 20 10 FFCDRO c1c(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001235007031 1037297929 /nfs/dbraw/zinc/29/79/29/1037297929.db2.gz JEWVZZHEFNZZBX-QFIPXVFZSA-N 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COc1cc(C)c(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c(O)c1 ZINC001236815069 1038288924 /nfs/dbraw/zinc/28/89/24/1038288924.db2.gz IDQPSESWQWSYDW-UHFFFAOYSA-N 1 0 358.482 2.934 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)c(O)c1 ZINC001236821963 1038292129 /nfs/dbraw/zinc/29/21/29/1038292129.db2.gz XCGLRHAOIMLVEK-HNNXBMFYSA-N 1 0 364.442 2.725 20 10 FFCDRO OC[C@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236920993 1038356752 /nfs/dbraw/zinc/35/67/52/1038356752.db2.gz BNPWACGHBPNWFO-SFHVURJKSA-N 1 0 356.869 2.863 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@H]3c3ncccn3)c(F)c2)CC1 ZINC001236948915 1038375506 /nfs/dbraw/zinc/37/55/06/1038375506.db2.gz YEBYJDYAZKYVML-IBGZPJMESA-N 1 0 355.461 2.705 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278042791 1038410553 /nfs/dbraw/zinc/41/05/53/1038410553.db2.gz IOASDBXAYLYAOV-VLIAUNLRSA-N 1 0 362.470 2.807 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278042789 1038410946 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JSXLEDVUARHKRU-UHFFFAOYSA-N 1 0 358.413 2.569 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)c(O)c1 ZINC001249214341 1040628932 /nfs/dbraw/zinc/62/89/32/1040628932.db2.gz KEOWVWLGRMJYQJ-KRWDZBQOSA-N 1 0 368.477 2.814 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(O)c1 ZINC001249217350 1040630428 /nfs/dbraw/zinc/63/04/28/1040630428.db2.gz NLRMKYAMHRUSJL-SFHVURJKSA-N 1 0 359.397 2.900 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c(O)c1 ZINC001249215245 1040631510 /nfs/dbraw/zinc/63/15/10/1040631510.db2.gz XPSHJMMVATVLAV-MRXNPFEDSA-N 1 0 363.454 2.804 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)c(O)c1 ZINC001249217776 1040633060 /nfs/dbraw/zinc/63/30/60/1040633060.db2.gz RHJYWQXEEVMHDE-UHFFFAOYSA-N 1 0 370.449 2.855 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC001249725495 1040962624 /nfs/dbraw/zinc/96/26/24/1040962624.db2.gz PAPQMMZEICXQDU-HXUWFJFHSA-N 1 0 363.454 2.727 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)c1 ZINC001249737533 1040971558 /nfs/dbraw/zinc/97/15/58/1040971558.db2.gz KBKZGLDTAAVQON-MRXNPFEDSA-N 1 0 365.470 2.709 20 10 FFCDRO O=C(Cn1cc(Cl)cn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001278551101 1041110613 /nfs/dbraw/zinc/11/06/13/1041110613.db2.gz DLGCDWYZSKDBRG-ALOPSCKCSA-N 1 0 374.872 2.554 20 10 FFCDRO C[NH+]1CCN(c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)CC1 ZINC001250773345 1041356731 /nfs/dbraw/zinc/35/67/31/1041356731.db2.gz NTRNGEORDBBNIC-UHFFFAOYSA-N 1 0 350.422 2.753 20 10 FFCDRO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c([O-])cc(F)cc1F ZINC001278606126 1041395038 /nfs/dbraw/zinc/39/50/38/1041395038.db2.gz SFROGMRPMWQBJB-IRXDYDNUSA-N 1 0 362.424 2.736 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H](O)COc1ccc(F)cc1F)CCC2 ZINC001250860981 1041405310 /nfs/dbraw/zinc/40/53/10/1041405310.db2.gz QANGQMIJHUXVNJ-OAHLLOKOSA-N 1 0 365.376 2.564 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H](O)COc1ccc(F)cc1F)CCC2 ZINC001250860978 1041405902 /nfs/dbraw/zinc/40/59/02/1041405902.db2.gz QANGQMIJHUXVNJ-HNNXBMFYSA-N 1 0 365.376 2.564 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(N(C)C)nc2)[NH+](C)C)cc1 ZINC001214660763 1041523386 /nfs/dbraw/zinc/52/33/86/1041523386.db2.gz IWJXGJLBXZKUQZ-GOSISDBHSA-N 1 0 370.501 2.638 20 10 FFCDRO Cc1ccc(/C=C\C(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)cn1 ZINC001263227707 1042183870 /nfs/dbraw/zinc/18/38/70/1042183870.db2.gz AFQWALPMYHDURJ-IDPBEMBBSA-N 1 0 363.461 2.912 20 10 FFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(N(C)C)cc2)n(C)n1 ZINC001279149613 1042920333 /nfs/dbraw/zinc/92/03/33/1042920333.db2.gz IEWTYBBGZZGIFR-BGYRXZFFSA-N 1 0 353.514 2.643 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccc[nH]2)c1O ZINC001279290625 1042985869 /nfs/dbraw/zinc/98/58/69/1042985869.db2.gz QVXOEBVPEKADOP-OALUTQOASA-N 1 0 353.466 2.837 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001279324835 1043000728 /nfs/dbraw/zinc/00/07/28/1043000728.db2.gz JZOMMOFQKYPSFW-UHFFFAOYSA-N 1 0 354.498 2.884 20 10 FFCDRO Cc1cc(CN2CCC3(C[NH+](Cc4c(C)cc(C)cc4O)C3)C2)n(C)n1 ZINC001279433588 1043108378 /nfs/dbraw/zinc/10/83/78/1043108378.db2.gz ZUQQAPGWYFJEDD-UHFFFAOYSA-N 1 0 354.498 2.759 20 10 FFCDRO CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)c3[O-])(C1)CCC2 ZINC001279442140 1043117574 /nfs/dbraw/zinc/11/75/74/1043117574.db2.gz MAJSLXGPTNXJHP-MOPGFXCFSA-N 1 0 365.905 2.658 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237415062 1043149374 /nfs/dbraw/zinc/14/93/74/1043149374.db2.gz MTDOALQOCSKANJ-SMDDNHRTSA-N 1 0 372.250 2.571 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC12C[NH2+]C2 ZINC001237428551 1043154351 /nfs/dbraw/zinc/15/43/51/1043154351.db2.gz AYHJIOROMQVLAD-LBPRGKRZSA-N 1 0 373.280 2.674 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(C)cc(OC)cc2O)c1 ZINC001237456716 1043177411 /nfs/dbraw/zinc/17/74/11/1043177411.db2.gz UNXTUYHLQONNKZ-IBGZPJMESA-N 1 0 370.449 2.642 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCCn2nnc(COc3cccnc3)c2C1 ZINC001237485256 1043198448 /nfs/dbraw/zinc/19/84/48/1043198448.db2.gz FNIIKYPUOMUOHW-UHFFFAOYSA-N 1 0 365.437 2.672 20 10 FFCDRO Cc1ccc(N2CCO[C@@H]3C[N@H+](Cc4c(C)cccc4O)CC[C@@H]3C2)nn1 ZINC001237486041 1043199112 /nfs/dbraw/zinc/19/91/12/1043199112.db2.gz NFCIWTQKNIZODQ-YLJYHZDGSA-N 1 0 368.481 2.526 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001237488469 1043202755 /nfs/dbraw/zinc/20/27/55/1043202755.db2.gz LXCBEVXSDWCLLB-MOPGFXCFSA-N 1 0 353.466 2.571 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001237490590 1043204263 /nfs/dbraw/zinc/20/42/63/1043204263.db2.gz WYKHTMKNXBNSEU-RIFZZMRRSA-N 1 0 370.449 2.561 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(O)c(OC)c1 ZINC001237682759 1043309210 /nfs/dbraw/zinc/30/92/10/1043309210.db2.gz CTBGICXOHQHEGU-UHFFFAOYSA-N 1 0 374.481 2.634 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c(O)c(OC)c1 ZINC001237683273 1043310099 /nfs/dbraw/zinc/31/00/99/1043310099.db2.gz GIUTYTDOYWBCKQ-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001237778901 1043352235 /nfs/dbraw/zinc/35/22/35/1043352235.db2.gz CVJISFTYDDECPA-CYBMUJFWSA-N 1 0 372.250 2.667 20 10 FFCDRO CCCC[NH+]1CCN(Cc2cccc(I)c2O)CC1 ZINC001237779710 1043354088 /nfs/dbraw/zinc/35/40/88/1043354088.db2.gz MHRONDFFRLZCEU-UHFFFAOYSA-N 1 0 374.266 2.915 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c(O)c1 ZINC001279672559 1043441159 /nfs/dbraw/zinc/44/11/59/1043441159.db2.gz AXIQEXLYRFEOJY-UHFFFAOYSA-N 1 0 353.466 2.934 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000755921546 1043449870 /nfs/dbraw/zinc/44/98/70/1043449870.db2.gz RCQQMKHDNCCCJP-XQDHMALISA-N 1 0 373.453 2.949 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001279686365 1043467770 /nfs/dbraw/zinc/46/77/70/1043467770.db2.gz WSZBHLRZKIQBEH-HOTGVXAUSA-N 1 0 374.403 2.680 20 10 FFCDRO O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001279726279 1043536872 /nfs/dbraw/zinc/53/68/72/1043536872.db2.gz JEZDCRSIXNZVNU-JXFKEZNVSA-N 1 0 360.454 2.644 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2nnco2)cc1C ZINC001279733570 1043551873 /nfs/dbraw/zinc/55/18/73/1043551873.db2.gz RPUYBMYQQUESTK-YQFWSFKMSA-N 1 0 356.426 2.530 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)NCC(F)F)C2)cc1 ZINC001279743498 1043572425 /nfs/dbraw/zinc/57/24/25/1043572425.db2.gz LTIXHNFOWJDOJQ-INIZCTEOSA-N 1 0 351.441 2.736 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C3CC(F)(F)C3)C2)cc1 ZINC001279744189 1043574226 /nfs/dbraw/zinc/57/42/26/1043574226.db2.gz RQWJHHPPBUIWHO-QGZVFWFLSA-N 1 0 363.452 2.831 20 10 FFCDRO Cc1noc(NC(=O)[C@H]2CC23C[NH+](Cc2ccc(N(C)C)cc2)C3)c1C ZINC001279744926 1043575119 /nfs/dbraw/zinc/57/51/19/1043575119.db2.gz YICDXNBFOYIWDA-QGZVFWFLSA-N 1 0 354.454 2.818 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N(c1ccc(OC)cc1OC)C2 ZINC001279758072 1043595715 /nfs/dbraw/zinc/59/57/15/1043595715.db2.gz AGMQKRCHMWZOIA-CVEARBPZSA-N 1 0 356.470 2.631 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(N)=O)c2ccccc21 ZINC001279837248 1043750617 /nfs/dbraw/zinc/75/06/17/1043750617.db2.gz WZZZUQKPDXQBAB-QGZVFWFLSA-N 1 0 355.507 2.699 20 10 FFCDRO C[N@@H+]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1(C)C ZINC001310898720 1043762704 /nfs/dbraw/zinc/76/27/04/1043762704.db2.gz OFGRASHJFAZEQE-UHFFFAOYSA-N 1 0 364.453 2.954 20 10 FFCDRO O=C(NCC(F)F)C1=CC2(CC1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001279846926 1043767310 /nfs/dbraw/zinc/76/73/10/1043767310.db2.gz VROOXGHKAGLZMX-UHFFFAOYSA-N 1 0 366.408 2.782 20 10 FFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccccc1O)N1CC(F)(C2CC2)C1 ZINC001279970822 1044008093 /nfs/dbraw/zinc/00/80/93/1044008093.db2.gz HRXHVGVLJCOTBS-SPLQCWDRSA-N 1 0 358.457 2.857 20 10 FFCDRO O=C([C@H]1CCSC12C[NH+](Cc1ccccc1O)C2)N1CCCC12CC2 ZINC001279971118 1044009032 /nfs/dbraw/zinc/00/90/32/1044009032.db2.gz PYGJXGWBPGHTND-MRXNPFEDSA-N 1 0 358.507 2.855 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CC=CC3)CC2)c1O ZINC001279982352 1044030751 /nfs/dbraw/zinc/03/07/51/1044030751.db2.gz XYYISQSATIEYRH-QGZVFWFLSA-N 1 0 356.466 2.791 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001312648058 1044149254 /nfs/dbraw/zinc/14/92/54/1044149254.db2.gz KAHVHCMUZUADKQ-LJQANCHMSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C2)cc1 ZINC001312993861 1044206663 /nfs/dbraw/zinc/20/66/63/1044206663.db2.gz FAVPMZLKUDMRDK-MRXNPFEDSA-N 1 0 362.518 2.503 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001280294630 1044563265 /nfs/dbraw/zinc/56/32/65/1044563265.db2.gz VNPUGUYREBZMDL-YLJYHZDGSA-N 1 0 364.461 2.628 20 10 FFCDRO CCc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1CC ZINC001539236002 1070593790 /nfs/dbraw/zinc/59/37/90/1070593790.db2.gz NQPGMUNDVZQGGK-LJQANCHMSA-N 1 0 357.502 2.564 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2F)CC1 ZINC001318724658 1044839710 /nfs/dbraw/zinc/83/97/10/1044839710.db2.gz RMPANCDQNUSZPX-AHRSYUTCSA-N 1 0 361.505 2.871 20 10 FFCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1ccnc1 ZINC001319493750 1045172479 /nfs/dbraw/zinc/17/24/79/1045172479.db2.gz JFWFIBSLPMYWOY-BBRMVZONSA-N 1 0 362.861 2.584 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC2)cc1 ZINC001320144453 1045356357 /nfs/dbraw/zinc/35/63/57/1045356357.db2.gz DDZJZHRPUHFUTF-UHFFFAOYSA-N 1 0 350.422 2.614 20 10 FFCDRO CC[C@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(C)cc1O ZINC001321541385 1045701236 /nfs/dbraw/zinc/70/12/36/1045701236.db2.gz CCLMNLIVRYLIMI-LAUBAEHRSA-N 1 0 367.449 2.996 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC001323828439 1045741934 /nfs/dbraw/zinc/74/19/34/1045741934.db2.gz AVZFRHXXSRSLTJ-IKGGRYGDSA-N 1 0 359.514 2.781 20 10 FFCDRO CN(C)c1ncccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001325014522 1046335107 /nfs/dbraw/zinc/33/51/07/1046335107.db2.gz VNYCJHLLUAXKMQ-UHFFFAOYSA-N 1 0 362.424 2.552 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000730806040 1047202748 /nfs/dbraw/zinc/20/27/48/1047202748.db2.gz GQQIINVZYWIHJH-QKIRZYONSA-N 1 0 359.426 2.846 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000731679075 1047329373 /nfs/dbraw/zinc/32/93/73/1047329373.db2.gz XQBFCUUMJIOKOZ-QGZVFWFLSA-N 1 0 363.458 2.728 20 10 FFCDRO CC(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001288335118 1047449761 /nfs/dbraw/zinc/44/97/61/1047449761.db2.gz ZAFSRNIZHDABRJ-UHFFFAOYSA-N 1 0 352.482 2.887 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2F)[NH+](C)C)cc1 ZINC001289600544 1047707574 /nfs/dbraw/zinc/70/75/74/1047707574.db2.gz SBVSNHXLFLNYRZ-IBGZPJMESA-N 1 0 361.436 2.992 20 10 FFCDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001328605675 1048378576 /nfs/dbraw/zinc/37/85/76/1048378576.db2.gz BUBJGPNPSNKVLJ-KBRIMQKVSA-N 1 0 367.440 2.891 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001328659169 1048407175 /nfs/dbraw/zinc/40/71/75/1048407175.db2.gz FHIGYNUHYDCGTD-CQSZACIVSA-N 1 0 350.484 2.778 20 10 FFCDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2)ncn1 ZINC001333705886 1049066138 /nfs/dbraw/zinc/06/61/38/1049066138.db2.gz VYEBAPQXSLBJPM-QGZVFWFLSA-N 1 0 356.470 2.820 20 10 FFCDRO O=C(c1coc([C@@H]2CCC[NH2+]2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001341690215 1050312023 /nfs/dbraw/zinc/31/20/23/1050312023.db2.gz VOUYMCXTIMGSPH-CVEARBPZSA-N 1 0 371.437 2.626 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)C2(C(F)(F)F)CC[NH2+]CC2)cc1 ZINC001342158351 1050751240 /nfs/dbraw/zinc/75/12/40/1050751240.db2.gz ASBCJHRMHGQPJM-UHFFFAOYSA-N 1 0 373.419 2.522 20 10 FFCDRO Cc1cc(CNC(=O)c2cnn(CC[NH+](C)C)c2)c(C)n1-c1ccccc1 ZINC001302268170 1051072483 /nfs/dbraw/zinc/07/24/83/1051072483.db2.gz UKOJUNRLKFALLK-UHFFFAOYSA-N 1 0 365.481 2.782 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[NH2+]CCC34CCC4)CC2)cc1 ZINC001343393817 1052202417 /nfs/dbraw/zinc/20/24/17/1052202417.db2.gz HQXUVFKWKHHSNO-IBGZPJMESA-N 1 0 357.498 2.514 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC001343393982 1052203368 /nfs/dbraw/zinc/20/33/68/1052203368.db2.gz WYFPEVZBPFSUJI-UHFFFAOYSA-N 1 0 356.470 2.918 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC001307500762 1052314470 /nfs/dbraw/zinc/31/44/70/1052314470.db2.gz FTHUARPHXLQXNO-INIZCTEOSA-N 1 0 352.475 2.880 20 10 FFCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)cc21 ZINC001343633769 1052347825 /nfs/dbraw/zinc/34/78/25/1052347825.db2.gz CKYBCJSCCSTBCQ-UHFFFAOYSA-N 1 0 367.472 2.754 20 10 FFCDRO CC[NH+](CC)CCN(CCOC)Cc1c(O)cccc1Br ZINC001308615861 1052477255 /nfs/dbraw/zinc/47/72/55/1052477255.db2.gz MGZCYZNZUYYAAX-UHFFFAOYSA-N 1 0 359.308 2.945 20 10 FFCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c(O)c1 ZINC001308869045 1052510396 /nfs/dbraw/zinc/51/03/96/1052510396.db2.gz HJHKDXYOTIBHDZ-INIZCTEOSA-N 1 0 362.470 2.959 20 10 FFCDRO CC[C@@H](C)C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC ZINC001346042884 1052719609 /nfs/dbraw/zinc/71/96/09/1052719609.db2.gz FJZZORWPELDXEH-QAPCUYQASA-N 1 0 365.493 2.645 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C2CC2)n1 ZINC001335434096 1053360297 /nfs/dbraw/zinc/36/02/97/1053360297.db2.gz VBECSLBFWFTWJX-UHFFFAOYSA-N 1 0 354.498 2.796 20 10 FFCDRO CO[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001335847568 1053599562 /nfs/dbraw/zinc/59/95/62/1053599562.db2.gz OIHCLNACZOBUSR-LEWJYISDSA-N 1 0 371.525 2.650 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2cccc(O)c2)[NH+](C)C)cc1 ZINC001348548387 1054783246 /nfs/dbraw/zinc/78/32/46/1054783246.db2.gz WMRZRXCRGGVHFZ-FQEVSTJZSA-N 1 0 355.482 2.810 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001349100121 1055092603 /nfs/dbraw/zinc/09/26/03/1055092603.db2.gz VJHBUAOXRXRLJU-UHFFFAOYSA-N 1 0 365.477 2.740 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)c(C)o1 ZINC000848917248 1055362953 /nfs/dbraw/zinc/36/29/53/1055362953.db2.gz DUVHOFRQWUROAY-OAHLLOKOSA-N 1 0 358.438 2.999 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC001349648269 1055389345 /nfs/dbraw/zinc/38/93/45/1055389345.db2.gz IPRFRBNMOBUIIY-IBGZPJMESA-N 1 0 362.514 2.511 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1F ZINC001353316640 1056291013 /nfs/dbraw/zinc/29/10/13/1056291013.db2.gz QABHVNDEMMDPHT-UHFFFAOYSA-N 1 0 350.482 2.798 20 10 FFCDRO CN(C)c1ccc(CNC(=O)c2cnc(CC3CC[NH2+]CC3)s2)cc1 ZINC001353447412 1056412346 /nfs/dbraw/zinc/41/23/46/1056412346.db2.gz FDLTVCYLOZAILL-UHFFFAOYSA-N 1 0 358.511 2.681 20 10 FFCDRO C[C@@H]([NH3+])C1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCOCC1 ZINC001353549840 1056523744 /nfs/dbraw/zinc/52/37/44/1056523744.db2.gz XKBIPOCDBLHFKI-QGZVFWFLSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1cc(C(=O)NOC[C@@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC001354065066 1058551979 /nfs/dbraw/zinc/55/19/79/1058551979.db2.gz ZBBXFXSFKTXUGM-SNVBAGLBSA-N 1 0 366.259 2.865 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001519510747 1058794217 /nfs/dbraw/zinc/79/42/17/1058794217.db2.gz TVEKJRVYQYBAEK-JSGCOSHPSA-N 1 0 359.499 2.702 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001448923309 1058840368 /nfs/dbraw/zinc/84/03/68/1058840368.db2.gz PSPKCPDFOPEHPT-UHFFFAOYSA-N 1 0 372.387 2.562 20 10 FFCDRO Cc1ncc(/C=C\C(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC001355233856 1060021609 /nfs/dbraw/zinc/02/16/09/1060021609.db2.gz UVPBAHWVIKDWPZ-KQLNYGGHSA-N 1 0 369.490 2.974 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)cc1 ZINC001456180337 1060037492 /nfs/dbraw/zinc/03/74/92/1060037492.db2.gz UZOYEPVQGPXOQN-HXUWFJFHSA-N 1 0 367.493 2.906 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(CSCCO)ccn3)cc2)CC1 ZINC001461419115 1061313894 /nfs/dbraw/zinc/31/38/94/1061313894.db2.gz XUHBUHZNHCVQKC-UHFFFAOYSA-N 1 0 372.538 2.671 20 10 FFCDRO CNC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001461435395 1061315943 /nfs/dbraw/zinc/31/59/43/1061315943.db2.gz AKCMCAVEIAJPQU-OAQYLSRUSA-N 1 0 367.493 2.611 20 10 FFCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765797754 1061582586 /nfs/dbraw/zinc/58/25/86/1061582586.db2.gz RSWUTKQUDUNMAI-HOTGVXAUSA-N 1 0 360.458 2.589 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2)CC1 ZINC001462470964 1061636874 /nfs/dbraw/zinc/63/68/74/1061636874.db2.gz ZRVIXAOZVWLKKY-UHFFFAOYSA-N 1 0 359.420 2.576 20 10 FFCDRO COc1cc(C)c(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC001462544161 1061665303 /nfs/dbraw/zinc/66/53/03/1061665303.db2.gz DOUWYIXCEZAHNM-MRXNPFEDSA-N 1 0 362.376 2.883 20 10 FFCDRO COc1cc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC001462551068 1061668097 /nfs/dbraw/zinc/66/80/97/1061668097.db2.gz ZFHLRMOLUSAEJI-MRXNPFEDSA-N 1 0 352.450 2.734 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]23CCO[C@@H]2CCCC3)[NH+](C)C)cc1 ZINC001463282689 1062031155 /nfs/dbraw/zinc/03/11/55/1062031155.db2.gz PDAXRELISSHHGJ-QKNQBKEWSA-N 1 0 359.514 2.821 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]23CCO[C@H]2CCCC3)[NH+](C)C)cc1 ZINC001463282693 1062032888 /nfs/dbraw/zinc/03/28/88/1062032888.db2.gz PDAXRELISSHHGJ-ZJOUEHCJSA-N 1 0 359.514 2.821 20 10 FFCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001533431013 1063298436 /nfs/dbraw/zinc/29/84/36/1063298436.db2.gz RQPDAQACMQACIJ-OAHLLOKOSA-N 1 0 355.482 2.739 20 10 FFCDRO CCC1(CC)[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC001473237305 1065226276 /nfs/dbraw/zinc/22/62/76/1065226276.db2.gz BRFVHJCMFMZIJI-MOPGFXCFSA-N 1 0 361.530 2.894 20 10 FFCDRO C[C@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001473400098 1065255789 /nfs/dbraw/zinc/25/57/89/1065255789.db2.gz JYNRDBFAHZGDLM-HNNXBMFYSA-N 1 0 351.491 2.945 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001473722494 1065331634 /nfs/dbraw/zinc/33/16/34/1065331634.db2.gz JQRJBYAEVQCGTP-CVEARBPZSA-N 1 0 371.456 2.919 20 10 FFCDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473957668 1065427336 /nfs/dbraw/zinc/42/73/36/1065427336.db2.gz LKQPPCDHUAZHLV-QZTJIDSGSA-N 1 0 362.537 2.788 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC001473957263 1065427684 /nfs/dbraw/zinc/42/76/84/1065427684.db2.gz IAHGHOMTDLFMAV-UHFFFAOYSA-N 1 0 355.482 2.979 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)c(O)c1 ZINC001474371527 1065505391 /nfs/dbraw/zinc/50/53/91/1065505391.db2.gz IWVZTHSIROWDMU-UHFFFAOYSA-N 1 0 359.514 2.513 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474660863 1065572201 /nfs/dbraw/zinc/57/22/01/1065572201.db2.gz VVMCUUAPNCESPT-AWEZNQCLSA-N 1 0 356.850 2.771 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001474742180 1065594732 /nfs/dbraw/zinc/59/47/32/1065594732.db2.gz OCVAGPBNJOPYER-GOSISDBHSA-N 1 0 358.486 2.568 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(F)cc1 ZINC001474746654 1065596874 /nfs/dbraw/zinc/59/68/74/1065596874.db2.gz AGOBBUPDDLJPSO-AWEZNQCLSA-N 1 0 350.346 2.925 20 10 FFCDRO CC[NH2+]CCn1c(CC)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001577869342 1078409873 /nfs/dbraw/zinc/40/98/73/1078409873.db2.gz WPSMQYKPGMANKJ-UHFFFAOYSA-N 1 0 356.518 2.687 20 10 FFCDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001578237098 1078453666 /nfs/dbraw/zinc/45/36/66/1078453666.db2.gz YVOLINIHEQCGPS-MSOLQXFVSA-N 1 0 355.482 2.785 20 10 FFCDRO Cc1cc(CC(=O)N2CCOC23CC[NH2+]CC3)c(C)n1-c1ccccc1 ZINC001579589265 1078646792 /nfs/dbraw/zinc/64/67/92/1078646792.db2.gz DOSJHSFVNVFOIT-UHFFFAOYSA-N 1 0 353.466 2.575 20 10 FFCDRO [NH3+]C1CCN(c2nnc(C3CC3)n2CCCSc2nccs2)CC1 ZINC001580196684 1078763878 /nfs/dbraw/zinc/76/38/78/1078763878.db2.gz USMIDXUOSKLGPL-UHFFFAOYSA-N 1 0 364.544 2.722 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@@]13C[C@@H]1CCCC3)cc2=O ZINC001560064634 1076219921 /nfs/dbraw/zinc/21/99/21/1076219921.db2.gz PWXVVHCIBONTPA-QHRIQVFBSA-N 1 0 358.442 2.670 20 10 FFCDRO CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N(C)C ZINC001560258960 1076257370 /nfs/dbraw/zinc/25/73/70/1076257370.db2.gz PPUHAGXUMFNDPJ-GOSISDBHSA-N 1 0 350.526 2.643 20 10 FFCDRO CC(C)C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC001560515989 1076277023 /nfs/dbraw/zinc/27/70/23/1076277023.db2.gz PNKFKXRLZBDDGH-XJDXJNMNSA-N 1 0 359.514 2.629 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)C3(C)CC3)CC2)cc1 ZINC001563620952 1076570933 /nfs/dbraw/zinc/57/09/33/1076570933.db2.gz IBULCJRMVCCZFZ-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC2(CCC2)O1 ZINC001565452567 1076731343 /nfs/dbraw/zinc/73/13/43/1076731343.db2.gz GJLHOBBCVUKDER-QFBILLFUSA-N 1 0 374.529 2.708 20 10 FFCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC001571288821 1077246458 /nfs/dbraw/zinc/24/64/58/1077246458.db2.gz VNRRPSSNFSLWCD-GBFUHFOTSA-N 1 0 372.509 2.802 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171940 507913214 /nfs/dbraw/zinc/91/32/14/507913214.db2.gz LUEOBDJVNXBALR-MAUKXSAKSA-N 1 0 355.486 2.641 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091232697 507971985 /nfs/dbraw/zinc/97/19/85/507971985.db2.gz ZUNJVKCDXYKQLX-UHFFFAOYSA-N 1 0 354.454 2.845 20 10 FFCDRO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000109770722 507986664 /nfs/dbraw/zinc/98/66/64/507986664.db2.gz UPYWSADBBIFVKN-UHFFFAOYSA-N 1 0 364.392 2.784 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c(O)c1 ZINC000092011710 508033234 /nfs/dbraw/zinc/03/32/34/508033234.db2.gz YTEGJCPJWAKSSH-LPHOPBHVSA-N 1 0 359.470 2.860 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092097809 508042235 /nfs/dbraw/zinc/04/22/35/508042235.db2.gz GZVGJZAPSOSAJV-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000081023046 508126956 /nfs/dbraw/zinc/12/69/56/508126956.db2.gz KDNBYVOEXYJGCC-HXUWFJFHSA-N 1 0 359.514 2.602 20 10 FFCDRO CCCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000093646991 508150817 /nfs/dbraw/zinc/15/08/17/508150817.db2.gz WGUFSHJIPXPNKC-AEFFLSMTSA-N 1 0 355.500 2.969 20 10 FFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000153189326 508557397 /nfs/dbraw/zinc/55/73/97/508557397.db2.gz PDYOADGKDNZROD-QGZVFWFLSA-N 1 0 359.514 3.000 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000122936288 508610194 /nfs/dbraw/zinc/61/01/94/508610194.db2.gz JNGVKUXHOUNKCG-HNNXBMFYSA-N 1 0 373.522 2.828 20 10 FFCDRO CC(C)(C)[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000118943315 508692375 /nfs/dbraw/zinc/69/23/75/508692375.db2.gz DTSCDBKJHKQQGY-OAHLLOKOSA-N 1 0 355.429 2.746 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000158986679 508777146 /nfs/dbraw/zinc/77/71/46/508777146.db2.gz XCHMEUGJEFPJAB-INIZCTEOSA-N 1 0 358.413 2.765 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000371476329 512424464 /nfs/dbraw/zinc/42/44/64/512424464.db2.gz BCGUEYFCNCKWDX-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C(C)C)N3CCOCC3)CC2)cc1 ZINC000120090121 508926089 /nfs/dbraw/zinc/92/60/89/508926089.db2.gz AXJKHWZEMSVWKC-OAQYLSRUSA-N 1 0 361.530 2.610 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(N(C)C)cc1 ZINC000371482294 512427669 /nfs/dbraw/zinc/42/76/69/512427669.db2.gz YGDXVZIWSKFFLN-KNBMTAEXSA-N 1 0 358.486 2.514 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000131682784 508959887 /nfs/dbraw/zinc/95/98/87/508959887.db2.gz MAYHJVUXEMDWLD-YERXGYGTSA-N 1 0 359.426 2.703 20 10 FFCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000369485264 512432650 /nfs/dbraw/zinc/43/26/50/512432650.db2.gz PVMFFZRMGISNIK-FQEVSTJZSA-N 1 0 359.514 2.743 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3cccc(OC)c3)CC2)cc1 ZINC000161328092 509102818 /nfs/dbraw/zinc/10/28/18/509102818.db2.gz OGQQHFNCVWUDSU-NRFANRHFSA-N 1 0 356.466 2.996 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000182381402 509205017 /nfs/dbraw/zinc/20/50/17/509205017.db2.gz BOFWUBNMKQYSSN-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1 ZINC000185498569 509207333 /nfs/dbraw/zinc/20/73/33/509207333.db2.gz UTGVVQOYHGWOCL-SNVBAGLBSA-N 1 0 356.348 2.972 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000179464937 509457911 /nfs/dbraw/zinc/45/79/11/509457911.db2.gz BUWXBGSNONLLLZ-ZDUSSCGKSA-N 1 0 367.247 2.592 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000186025758 509487875 /nfs/dbraw/zinc/48/78/75/509487875.db2.gz HHWCOTCYRDKOGK-LBPRGKRZSA-N 1 0 362.442 2.616 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)ccc1O ZINC000186035498 509492696 /nfs/dbraw/zinc/49/26/96/509492696.db2.gz RVCGIJBKVNMMKJ-ZDUSSCGKSA-N 1 0 364.442 2.922 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1O ZINC000236904527 509529957 /nfs/dbraw/zinc/52/99/57/509529957.db2.gz VXYAPYJIHQYNJK-KRWDZBQOSA-N 1 0 360.454 2.855 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176619306 509613913 /nfs/dbraw/zinc/61/39/13/509613913.db2.gz OSMBWJYBSXSVRY-AZUAARDMSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CCC(OC)CC3)CC2)cc1 ZINC000183133169 509618096 /nfs/dbraw/zinc/61/80/96/509618096.db2.gz UVJZSEOJHNAQGK-UHFFFAOYSA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2cc(F)ccc2O)N2CCOCC2)cc1 ZINC000180395404 509902360 /nfs/dbraw/zinc/90/23/60/509902360.db2.gz OWQQXKWGXAHEHQ-LJQANCHMSA-N 1 0 360.429 2.703 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1O ZINC000187050448 510028171 /nfs/dbraw/zinc/02/81/71/510028171.db2.gz KHSVGZWRKNEJJG-CYBMUJFWSA-N 1 0 371.319 2.961 20 10 FFCDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000268867585 510108586 /nfs/dbraw/zinc/10/85/86/510108586.db2.gz TVIRNSIZNJMYEF-RWBZWWBESA-N 1 0 363.477 2.760 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000269044050 510208836 /nfs/dbraw/zinc/20/88/36/510208836.db2.gz UNMKXNTZTXYERP-WMZOPIPTSA-N 1 0 365.543 2.752 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246264571 510396257 /nfs/dbraw/zinc/39/62/57/510396257.db2.gz LIRVAMNPXSOFLK-VBNZEHGJSA-N 1 0 353.413 2.500 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000184688126 510463045 /nfs/dbraw/zinc/46/30/45/510463045.db2.gz CPGGWWBPOZRZQB-CQSZACIVSA-N 1 0 354.878 2.598 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000184694763 510468504 /nfs/dbraw/zinc/46/85/04/510468504.db2.gz QACWFCHPUXFIHD-KRWDZBQOSA-N 1 0 365.861 2.733 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3csc(CC[NH3+])n3)cc2)CC1 ZINC000194834745 510549870 /nfs/dbraw/zinc/54/98/70/510549870.db2.gz DUCRRINPGMHDFD-UHFFFAOYSA-N 1 0 358.511 2.811 20 10 FFCDRO Cn1cc(-c2cc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)on2)cn1 ZINC000184974845 510611484 /nfs/dbraw/zinc/61/14/84/510611484.db2.gz ZUVNJUIGSZOQIE-UHFFFAOYSA-N 1 0 367.453 2.544 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000182317576 510849390 /nfs/dbraw/zinc/84/93/90/510849390.db2.gz FXOGYOQKVCKMHU-CYBMUJFWSA-N 1 0 354.406 2.738 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000275327643 510872114 /nfs/dbraw/zinc/87/21/14/510872114.db2.gz MGVLOISSLKHFJD-QMTHXVAHSA-N 1 0 354.248 2.581 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276752641 510945332 /nfs/dbraw/zinc/94/53/32/510945332.db2.gz FUHSYFVDPAJMML-AWEZNQCLSA-N 1 0 353.260 2.660 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277322432 510960570 /nfs/dbraw/zinc/96/05/70/510960570.db2.gz DORBAJCQONBLSW-KGLIPLIRSA-N 1 0 368.275 2.581 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3CC(F)(F)C3)cc2F)CC1 ZINC000277604929 510967795 /nfs/dbraw/zinc/96/77/95/510967795.db2.gz IUABDYNCVUGGBJ-UHFFFAOYSA-N 1 0 370.419 2.565 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1OC ZINC000278056008 510980449 /nfs/dbraw/zinc/98/04/49/510980449.db2.gz LCYMZDOODPSLEZ-UHFFFAOYSA-N 1 0 362.401 2.987 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278512441 510996062 /nfs/dbraw/zinc/99/60/62/510996062.db2.gz QCHKGRZGZGSUFL-ZWNOBZJWSA-N 1 0 352.412 2.972 20 10 FFCDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297613980 511010046 /nfs/dbraw/zinc/01/00/46/511010046.db2.gz IRJWXFODGXJWTG-WMZOPIPTSA-N 1 0 352.482 2.575 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccc(F)cn3)CC2)cc1 ZINC000271308077 511157862 /nfs/dbraw/zinc/15/78/62/511157862.db2.gz IBIIDQRTRUAIST-INIZCTEOSA-N 1 0 358.461 2.702 20 10 FFCDRO O=C1COc2ccc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)cc2N1 ZINC000294914013 511220109 /nfs/dbraw/zinc/22/01/09/511220109.db2.gz NNLCAUMOMDYLIE-QGZVFWFLSA-N 1 0 368.433 2.904 20 10 FFCDRO CN(Cc1cccs1)c1ccc(CN2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000294965247 511236761 /nfs/dbraw/zinc/23/67/61/511236761.db2.gz WLHMJTLSKUUIHY-QGZVFWFLSA-N 1 0 356.495 2.594 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(C)cc1O ZINC000279930560 511270735 /nfs/dbraw/zinc/27/07/35/511270735.db2.gz AQUHMDWSSNXVSS-MRXNPFEDSA-N 1 0 358.438 2.814 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cc2)CC1 ZINC000295127181 511291095 /nfs/dbraw/zinc/29/10/95/511291095.db2.gz XOFNJPBFEUMYOC-NRFANRHFSA-N 1 0 373.541 2.598 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000298895632 511446013 /nfs/dbraw/zinc/44/60/13/511446013.db2.gz WKYOISIVNPDOGK-QGZVFWFLSA-N 1 0 356.514 2.911 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)cc1 ZINC000298895630 511446047 /nfs/dbraw/zinc/44/60/47/511446047.db2.gz WKYOISIVNPDOGK-KRWDZBQOSA-N 1 0 356.514 2.911 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000295999234 511583222 /nfs/dbraw/zinc/58/32/22/511583222.db2.gz OFVIIVVAVJVACR-GUYCJALGSA-N 1 0 360.479 2.981 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(C(F)F)o3)cc2F)CC1 ZINC000292440098 511598599 /nfs/dbraw/zinc/59/85/99/511598599.db2.gz HMFDNWUMLYHLCB-UHFFFAOYSA-N 1 0 355.364 2.900 20 10 FFCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280927776 511656132 /nfs/dbraw/zinc/65/61/32/511656132.db2.gz FCSDARSSARGGTC-SHACYNPGSA-N 1 0 354.491 2.614 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000281013593 511689110 /nfs/dbraw/zinc/68/91/10/511689110.db2.gz YVIFNAPKOBIFSY-HUBLWGQQSA-N 1 0 358.276 2.840 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000284363229 511698645 /nfs/dbraw/zinc/69/86/45/511698645.db2.gz NDILICIDNLMAET-JVLSTEMRSA-N 1 0 360.292 2.963 20 10 FFCDRO O=[N+]([O-])c1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000302221878 511708456 /nfs/dbraw/zinc/70/84/56/511708456.db2.gz MQBIOFFWHYGGRO-UHFFFAOYSA-N 1 0 368.441 2.529 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1C ZINC000284503218 511748308 /nfs/dbraw/zinc/74/83/08/511748308.db2.gz KOXOCAWKSVJUDF-DYESRHJHSA-N 1 0 368.481 2.727 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000296508971 511772996 /nfs/dbraw/zinc/77/29/96/511772996.db2.gz JZSKNWJBAFWISA-OAHLLOKOSA-N 1 0 366.458 2.516 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1O ZINC000363847657 511806268 /nfs/dbraw/zinc/80/62/68/511806268.db2.gz DRBJSLSSIYWXBA-YHQOMNDMSA-N 1 0 367.449 2.917 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1c1ccccc1 ZINC000369722248 512572575 /nfs/dbraw/zinc/57/25/75/512572575.db2.gz QYRSIMSXPNXBOM-DLBZAZTESA-N 1 0 371.433 2.798 20 10 FFCDRO NC(=O)c1cc(OC2CC[NH+](Cc3c(O)cccc3Cl)CC2)ccn1 ZINC000367701908 512624116 /nfs/dbraw/zinc/62/41/16/512624116.db2.gz GVVDHIMCEAKECG-UHFFFAOYSA-N 1 0 361.829 2.583 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372128673 512728412 /nfs/dbraw/zinc/72/84/12/512728412.db2.gz OJXHXLVUYOQYLR-UHFFFAOYSA-N 1 0 356.260 2.926 20 10 FFCDRO O=C(C[C@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370809913 513107408 /nfs/dbraw/zinc/10/74/08/513107408.db2.gz KVCVNYCZUFBQNT-CZUORRHYSA-N 1 0 352.862 2.553 20 10 FFCDRO Cc1c(C)n(C)c2ccc(OCC(=O)NC3CC[NH+](C4CC4)CC3)cc12 ZINC000421199163 513150665 /nfs/dbraw/zinc/15/06/65/513150665.db2.gz MHEHTUOLPPLHMP-UHFFFAOYSA-N 1 0 355.482 2.917 20 10 FFCDRO CC(C)[C@H](CO)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000554052464 518042423 /nfs/dbraw/zinc/04/24/23/518042423.db2.gz NVOIQFVSWPPQRW-KRWDZBQOSA-N 1 0 371.525 2.789 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(CC(F)F)c2)N(C)C)cc1 ZINC000898451327 735361943 /nfs/dbraw/zinc/36/19/43/735361943.db2.gz XSVWLNZDKISONT-KRWDZBQOSA-N 1 0 351.445 2.607 20 10 FFCDRO CN(C)Cc1cnc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898450310 735362143 /nfs/dbraw/zinc/36/21/43/735362143.db2.gz QDKDQGMSUYJMGU-GOSISDBHSA-N 1 0 361.559 2.663 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000899098285 735447021 /nfs/dbraw/zinc/44/70/21/735447021.db2.gz NHPQWNLYHFRZTR-INIZCTEOSA-N 1 0 354.445 2.796 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(C)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000899098870 735447521 /nfs/dbraw/zinc/44/75/21/735447521.db2.gz UFZLANHUTRFMEG-HNNXBMFYSA-N 1 0 354.445 2.842 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000090582174 728451657 /nfs/dbraw/zinc/45/16/57/728451657.db2.gz QRPVIENVHZNQBJ-AWEZNQCLSA-N 1 0 367.540 2.752 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000091922742 728463509 /nfs/dbraw/zinc/46/35/09/728463509.db2.gz GNGVHYHTSLJSLM-UHFFFAOYSA-N 1 0 352.450 2.683 20 10 FFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092733715 728470482 /nfs/dbraw/zinc/47/04/82/728470482.db2.gz LLAJEZGEDZDIJT-LBPRGKRZSA-N 1 0 355.276 2.893 20 10 FFCDRO CC[C@@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)[NH+](CC)CC ZINC000753738354 736090733 /nfs/dbraw/zinc/09/07/33/736090733.db2.gz OZOMYINJADJWTK-KRWDZBQOSA-N 1 0 351.466 2.603 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1O ZINC000186708239 729368089 /nfs/dbraw/zinc/36/80/89/729368089.db2.gz QWABYGZKXHNNFZ-CYBMUJFWSA-N 1 0 364.442 2.922 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000194850622 729522522 /nfs/dbraw/zinc/52/25/22/729522522.db2.gz MLOHNBFAPDZEBS-JTQLQIEISA-N 1 0 350.260 2.934 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCSc3nccs3)CC[C@H]21 ZINC000246743331 729590101 /nfs/dbraw/zinc/59/01/01/729590101.db2.gz GVFFUSJCIGXTSH-ZIAGYGMSSA-N 1 0 354.545 2.751 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1O ZINC000779038773 738431202 /nfs/dbraw/zinc/43/12/02/738431202.db2.gz NBKLJDPUHXBMAS-YWPYICTPSA-N 1 0 357.292 2.833 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761208146 736707851 /nfs/dbraw/zinc/70/78/51/736707851.db2.gz YUJBBBLXMYAGRK-GFCCVEGCSA-N 1 0 353.850 2.540 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858092747 730416277 /nfs/dbraw/zinc/41/62/77/730416277.db2.gz IJNJROLLKYMXTR-UHFFFAOYSA-N 1 0 357.248 2.865 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858434322 730425734 /nfs/dbraw/zinc/42/57/34/730425734.db2.gz FANOMCOGZBAIOS-MFKMUULPSA-N 1 0 354.248 2.581 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000858497830 730427225 /nfs/dbraw/zinc/42/72/25/730427225.db2.gz HVQONSBDKTUZCM-NILFDRSVSA-N 1 0 360.907 2.865 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862226516 730678389 /nfs/dbraw/zinc/67/83/89/730678389.db2.gz HWCFOENZXWWWMD-UHFFFAOYSA-N 1 0 351.248 2.663 20 10 FFCDRO CC(C)C(=O)N[C@@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862237438 730679663 /nfs/dbraw/zinc/67/96/63/730679663.db2.gz PGTUNQGKXXXGEH-GFCCVEGCSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1Cl ZINC000862536769 730707437 /nfs/dbraw/zinc/70/74/37/730707437.db2.gz UVXMEPKJIWACOW-QGZVFWFLSA-N 1 0 361.873 2.740 20 10 FFCDRO Cc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000647147080 730720519 /nfs/dbraw/zinc/72/05/19/730720519.db2.gz JTKJJLHBRCRIBR-CQSZACIVSA-N 1 0 354.435 2.686 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1F ZINC000864055392 730820171 /nfs/dbraw/zinc/82/01/71/730820171.db2.gz OVVMSSKPDKADAZ-HNNXBMFYSA-N 1 0 354.441 2.784 20 10 FFCDRO CCOC(=O)c1cnc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)s1 ZINC000769509457 737537286 /nfs/dbraw/zinc/53/72/86/737537286.db2.gz ZNHKMJOENLPPCQ-UHFFFAOYSA-N 1 0 361.467 2.656 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000865710971 730988540 /nfs/dbraw/zinc/98/85/40/730988540.db2.gz GLLVKNSXPGKKSO-KSBSHMNSSA-N 1 0 358.154 2.565 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2c(I)cnn2C)cc1C ZINC000865868983 731006172 /nfs/dbraw/zinc/00/61/72/731006172.db2.gz SIRHGDDVWQIBPJ-UHFFFAOYSA-N 1 0 371.222 2.637 20 10 FFCDRO C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Br)ccc1O ZINC000925789810 738529710 /nfs/dbraw/zinc/52/97/10/738529710.db2.gz BMTISCDWCSUCCD-JSGCOSHPSA-N 1 0 369.303 2.964 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000873100753 731874797 /nfs/dbraw/zinc/87/47/97/731874797.db2.gz DAKNYISOHFIMAT-PKOBYXMFSA-N 1 0 367.511 2.610 20 10 FFCDRO Cc1nnsc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000876941956 732300367 /nfs/dbraw/zinc/30/03/67/732300367.db2.gz RFWBPJDTNMEQRI-UHFFFAOYSA-N 1 0 372.416 2.992 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000877520565 732379179 /nfs/dbraw/zinc/37/91/79/732379179.db2.gz BFFSYYPABMPIRK-UHFFFAOYSA-N 1 0 351.200 2.611 20 10 FFCDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C2 ZINC000877722954 732419198 /nfs/dbraw/zinc/41/91/98/732419198.db2.gz RATADJNCUDWMSU-XAGWURHQSA-N 1 0 370.243 2.595 20 10 FFCDRO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877799277 732435198 /nfs/dbraw/zinc/43/51/98/732435198.db2.gz LQKPGPUYBVERCZ-COXVUDFISA-N 1 0 366.889 2.677 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1OC ZINC000877811409 732438436 /nfs/dbraw/zinc/43/84/36/732438436.db2.gz JKCACZGCTQBNJA-HNNXBMFYSA-N 1 0 351.830 2.756 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(N(C)C)cc1 ZINC000878454895 732535212 /nfs/dbraw/zinc/53/52/12/732535212.db2.gz KJHUOHNGVMNRHB-GXFFZTMASA-N 1 0 354.248 2.887 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926949778 738672428 /nfs/dbraw/zinc/67/24/28/738672428.db2.gz QETICASYVPPQQW-CVMIBZJCSA-N 1 0 356.260 2.918 20 10 FFCDRO CC(=O)c1csc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881851070 733120335 /nfs/dbraw/zinc/12/03/35/733120335.db2.gz BYRHQKAIPVMWFA-UHFFFAOYSA-N 1 0 357.479 2.633 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC000881854217 733120548 /nfs/dbraw/zinc/12/05/48/733120548.db2.gz XJQWTKBNCNDMPS-MRXNPFEDSA-N 1 0 351.441 2.880 20 10 FFCDRO CSc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000881854914 733120769 /nfs/dbraw/zinc/12/07/69/733120769.db2.gz LFGRRGQUQHGRQI-UHFFFAOYSA-N 1 0 359.495 2.992 20 10 FFCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ccc1O ZINC000927040953 738684813 /nfs/dbraw/zinc/68/48/13/738684813.db2.gz KHOXZRZHHVMDCY-SMHCIBLRSA-N 1 0 374.300 2.914 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000927078963 738689010 /nfs/dbraw/zinc/68/90/10/738689010.db2.gz BEXQBJJBHAAMDP-ZYHUDNBSSA-N 1 0 360.248 2.619 20 10 FFCDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927079595 738689052 /nfs/dbraw/zinc/68/90/52/738689052.db2.gz SOJXGAYAJNCDFM-OAHLLOKOSA-N 1 0 352.450 2.509 20 10 FFCDRO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886751026 733825208 /nfs/dbraw/zinc/82/52/08/733825208.db2.gz FNUQLVSQEJUBIU-CQSZACIVSA-N 1 0 353.507 2.569 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2snnc2C2CC2)[NH+](C)C)cc1 ZINC000891247917 734404423 /nfs/dbraw/zinc/40/44/23/734404423.db2.gz LJCFDFGFGDCOCR-HNNXBMFYSA-N 1 0 359.499 2.514 20 10 FFCDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1=CC(=O)CS1 ZINC000731870747 734702379 /nfs/dbraw/zinc/70/23/79/734702379.db2.gz OHYSGEMNELLLMX-UHFFFAOYSA-N 1 0 359.495 2.786 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000893608518 734726034 /nfs/dbraw/zinc/72/60/34/734726034.db2.gz VYILABBHTVSQOJ-JLYLLQBASA-N 1 0 359.539 2.729 20 10 FFCDRO O=C(c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1)N1CCOCC1 ZINC000733322577 734808974 /nfs/dbraw/zinc/80/89/74/734808974.db2.gz NMLMLQJZBZGPKQ-UHFFFAOYSA-N 1 0 360.841 2.808 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000733330878 734809529 /nfs/dbraw/zinc/80/95/29/734809529.db2.gz RAYWHBRAWFUFCY-UHFFFAOYSA-N 1 0 364.898 2.865 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000894203671 734817452 /nfs/dbraw/zinc/81/74/52/734817452.db2.gz DSLSRDDIFXPDQA-ZDUSSCGKSA-N 1 0 364.467 2.932 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894811846 734920917 /nfs/dbraw/zinc/92/09/17/734920917.db2.gz SXYRDKNVCUGXME-LJQANCHMSA-N 1 0 351.443 2.963 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895898661 735071847 /nfs/dbraw/zinc/07/18/47/735071847.db2.gz ASVDGTATAOQUME-UHFFFAOYSA-N 1 0 351.878 2.967 20 10 FFCDRO COC(=O)c1cnc(CC[NH2+]Cc2cc(Cl)cc(OC)c2O)s1 ZINC000896932651 735188692 /nfs/dbraw/zinc/18/86/92/735188692.db2.gz QDCOGNBPUYXMTI-UHFFFAOYSA-N 1 0 356.831 2.630 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1O ZINC000897229879 735209116 /nfs/dbraw/zinc/20/91/16/735209116.db2.gz YDTQQJFBVMVCLA-INIZCTEOSA-N 1 0 369.303 2.806 20 10 FFCDRO COc1ccc(C[NH2+]CC2(C)CCC3(CC2)OCCO3)c(O)c1OC ZINC000897716160 735268869 /nfs/dbraw/zinc/26/88/69/735268869.db2.gz YBBAXKYVHWKEBH-UHFFFAOYSA-N 1 0 351.443 2.822 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1O ZINC000748051375 735611956 /nfs/dbraw/zinc/61/19/56/735611956.db2.gz SJWRBIJRLCTSFT-AWEZNQCLSA-N 1 0 364.873 2.986 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000748616816 735659575 /nfs/dbraw/zinc/65/95/75/735659575.db2.gz GEGJWLHOSLXHCP-IBGZPJMESA-N 1 0 364.559 2.769 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000787426443 739135573 /nfs/dbraw/zinc/13/55/73/739135573.db2.gz YQTDOKXDDPVEOL-GDLCADMTSA-N 1 0 353.260 2.549 20 10 FFCDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3cc(OC)c(C)cc3O)C2)s1 ZINC000902437441 735946101 /nfs/dbraw/zinc/94/61/01/735946101.db2.gz IEOKMYXCDLMTPJ-GFCCVEGCSA-N 1 0 362.451 2.942 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN4CCSC[C@H]34)CC2)cc1 ZINC000903270922 736070120 /nfs/dbraw/zinc/07/01/20/736070120.db2.gz IYDRXSHOZNOTHP-VQTJNVASSA-N 1 0 361.555 2.833 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]CCC23CCOCC3)c1O ZINC000903814727 736170238 /nfs/dbraw/zinc/17/02/38/736170238.db2.gz HVRZTUFHIMCQPI-UHFFFAOYSA-N 1 0 352.862 2.593 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)c2c1c(F)ccc2O ZINC000756456695 736333149 /nfs/dbraw/zinc/33/31/49/736333149.db2.gz OBCSZXQJZOHKSQ-WTANOLMUSA-N 1 0 366.502 2.877 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000757705080 736421406 /nfs/dbraw/zinc/42/14/06/736421406.db2.gz MFSJTFFSCGWHHV-MRXNPFEDSA-N 1 0 367.559 2.855 20 10 FFCDRO CCc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761983372 736779249 /nfs/dbraw/zinc/77/92/49/736779249.db2.gz QWJHQAGYJPFADK-AWEZNQCLSA-N 1 0 362.861 2.726 20 10 FFCDRO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000762721020 736861487 /nfs/dbraw/zinc/86/14/87/736861487.db2.gz GJTFGMZEZVVTSF-LJQANCHMSA-N 1 0 361.873 2.544 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764792058 737049876 /nfs/dbraw/zinc/04/98/76/737049876.db2.gz SRNFACAXQWYPOD-LBPRGKRZSA-N 1 0 370.291 2.684 20 10 FFCDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766308467 737217670 /nfs/dbraw/zinc/21/76/70/737217670.db2.gz NNUWWOHGCZGJNH-AWEZNQCLSA-N 1 0 363.893 2.681 20 10 FFCDRO Fc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1N1CCOCC1 ZINC000770666787 737650613 /nfs/dbraw/zinc/65/06/13/737650613.db2.gz XCVMCGIMQCDTDP-UHFFFAOYSA-N 1 0 366.502 2.760 20 10 FFCDRO CCOC(=O)C1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000770665352 737650832 /nfs/dbraw/zinc/65/08/32/737650832.db2.gz JNNRFVGCOPFTJJ-UHFFFAOYSA-N 1 0 358.232 2.596 20 10 FFCDRO CC(C)[C@](C)(O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771416464 737724770 /nfs/dbraw/zinc/72/47/70/737724770.db2.gz HGEURCRKXUPXBZ-YJBOKZPZSA-N 1 0 354.878 2.533 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000773018099 737863806 /nfs/dbraw/zinc/86/38/06/737863806.db2.gz UXRBOTIHGLPQDZ-APWZRJJASA-N 1 0 366.527 2.609 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773132527 737874253 /nfs/dbraw/zinc/87/42/53/737874253.db2.gz ORACRVDUVZKEEV-FDQGKXFDSA-N 1 0 365.905 2.742 20 10 FFCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000775522601 738098940 /nfs/dbraw/zinc/09/89/40/738098940.db2.gz VNJQYXHQZVDBFN-DIOULYMOSA-N 1 0 357.292 2.915 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1O ZINC000775537524 738100340 /nfs/dbraw/zinc/10/03/40/738100340.db2.gz ZWVRCUVHOAHLTD-KQYVJACZSA-N 1 0 365.861 2.807 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)ccc1OC ZINC000922525840 738160948 /nfs/dbraw/zinc/16/09/48/738160948.db2.gz VPRUXPLFTUUQNU-ZWKOTPCHSA-N 1 0 350.528 2.901 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000776936048 738246749 /nfs/dbraw/zinc/24/67/49/738246749.db2.gz FZNVHYZDMWWPHI-HNNXBMFYSA-N 1 0 362.857 2.878 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1OC ZINC000777441302 738289710 /nfs/dbraw/zinc/28/97/10/738289710.db2.gz DZIZHENYVZHKBK-HNNXBMFYSA-N 1 0 351.443 2.965 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C)cc1O ZINC000794817097 739933478 /nfs/dbraw/zinc/93/34/78/739933478.db2.gz PDGVPQJXQNDSKV-HIFRSBDPSA-N 1 0 369.508 2.638 20 10 FFCDRO COC(=O)N1CCC(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000796501170 740148052 /nfs/dbraw/zinc/14/80/52/740148052.db2.gz ZSUITJXIOSPSAO-UHFFFAOYSA-N 1 0 357.248 2.723 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797095565 740211533 /nfs/dbraw/zinc/21/15/33/740211533.db2.gz DECNJCKLNJPRQA-YJBOKZPZSA-N 1 0 353.532 2.607 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000797119707 740214446 /nfs/dbraw/zinc/21/44/46/740214446.db2.gz TZKKBRBDFGSCPX-YOEHRIQHSA-N 1 0 366.527 2.736 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000798964532 740377732 /nfs/dbraw/zinc/37/77/32/740377732.db2.gz RKUNCEUHXYOWMT-IBGZPJMESA-N 1 0 351.443 2.583 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000799345978 740411125 /nfs/dbraw/zinc/41/11/25/740411125.db2.gz CTJKPRQMWXZPES-UHFFFAOYSA-N 1 0 370.335 2.579 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC(=O)N1C ZINC000799954611 740467171 /nfs/dbraw/zinc/46/71/71/740467171.db2.gz BAZSXXZQPYKCBP-LLVKDONJSA-N 1 0 363.255 2.970 20 10 FFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000806959296 741098456 /nfs/dbraw/zinc/09/84/56/741098456.db2.gz SWIAZEFVQZOCKO-ZIAGYGMSSA-N 1 0 354.545 2.894 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808677108 741251359 /nfs/dbraw/zinc/25/13/59/741251359.db2.gz XZHYLXBHGHSGRG-CQSZACIVSA-N 1 0 367.921 2.995 20 10 FFCDRO CN(CC[N@H+](C)Cc1cccc(Br)c1[O-])C1CC[NH+](C)CC1 ZINC000809734843 741337852 /nfs/dbraw/zinc/33/78/52/741337852.db2.gz ROPIICSTMUHKPK-UHFFFAOYSA-N 1 0 370.335 2.613 20 10 FFCDRO CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000810047453 741376495 /nfs/dbraw/zinc/37/64/95/741376495.db2.gz VRDHVZFMAWJRBN-UHFFFAOYSA-N 1 0 367.559 2.684 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COCc2ccccc2F)cc1F ZINC000818984534 742320688 /nfs/dbraw/zinc/32/06/88/742320688.db2.gz AYDLPPBJQITVMV-MRXNPFEDSA-N 1 0 350.409 2.698 20 10 FFCDRO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1cc(OC)c(OC)cc1O)CC1CC1 ZINC000822503347 742744988 /nfs/dbraw/zinc/74/49/88/742744988.db2.gz GNOLCOLMWPYQKW-IBGZPJMESA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cc(C[N@H+](CCO)C2CCN(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000824473530 743086775 /nfs/dbraw/zinc/08/67/75/743086775.db2.gz BZTDKJVHHAFIFI-UHFFFAOYSA-N 1 0 350.503 2.587 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000824576953 743110455 /nfs/dbraw/zinc/11/04/55/743110455.db2.gz WRHLSAFQYWULOE-ZDUSSCGKSA-N 1 0 357.248 2.736 20 10 FFCDRO O=C(N1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]2C1)C(F)(F)F ZINC000824827300 743156671 /nfs/dbraw/zinc/15/66/71/743156671.db2.gz BJPGLAWDBMIVFO-MNOVXSKESA-N 1 0 362.779 2.888 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000824943197 743183151 /nfs/dbraw/zinc/18/31/51/743183151.db2.gz JIRFQPWYNPPMQF-GFCCVEGCSA-N 1 0 351.248 2.658 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124673 743214349 /nfs/dbraw/zinc/21/43/49/743214349.db2.gz VUYIRQIBEQAMLU-PELKAZGASA-N 1 0 354.166 2.900 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825290895 743243412 /nfs/dbraw/zinc/24/34/12/743243412.db2.gz AMAMDKREZXJDSH-QWHCGFSZSA-N 1 0 362.289 2.600 20 10 FFCDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825337464 743251086 /nfs/dbraw/zinc/25/10/86/743251086.db2.gz GSKDOPQZZMTNFW-KRWDZBQOSA-N 1 0 359.539 2.883 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825550051 743292156 /nfs/dbraw/zinc/29/21/56/743292156.db2.gz WJXFEWUIGMMPDC-UONOGXRCSA-N 1 0 372.259 2.697 20 10 FFCDRO CN1CCC2(CC[NH+](Cc3ccc(Br)cc3O)CC2)C1=O ZINC000825716611 743317102 /nfs/dbraw/zinc/31/71/02/743317102.db2.gz WGRXPOXBSCTOLZ-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO Oc1ccc(F)cc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826511191 743390135 /nfs/dbraw/zinc/39/01/35/743390135.db2.gz GJNMRSHVIZBBIJ-UHFFFAOYSA-N 1 0 359.430 2.734 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CO2 ZINC000827066798 743498310 /nfs/dbraw/zinc/49/83/10/743498310.db2.gz UZCODNIOBTUVRJ-GFCCVEGCSA-N 1 0 368.861 2.914 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000827631758 744951159 /nfs/dbraw/zinc/95/11/59/744951159.db2.gz QENNDSRKSNRWGF-UHFFFAOYSA-N 1 0 358.511 2.778 20 10 FFCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000827687958 744960586 /nfs/dbraw/zinc/96/05/86/744960586.db2.gz XCWKAGKNAHMONZ-LBPRGKRZSA-N 1 0 355.276 2.891 20 10 FFCDRO CO[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000830545063 745378159 /nfs/dbraw/zinc/37/81/59/745378159.db2.gz WFTCUXPJHVJNHF-FUHWJXTLSA-N 1 0 366.889 2.941 20 10 FFCDRO CO[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000830545066 745378190 /nfs/dbraw/zinc/37/81/90/745378190.db2.gz WFTCUXPJHVJNHF-WMZOPIPTSA-N 1 0 366.889 2.941 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000834316219 745817090 /nfs/dbraw/zinc/81/70/90/745817090.db2.gz DDCNLCGXCQYQNZ-ACJLOTCBSA-N 1 0 361.873 2.936 20 10 FFCDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834843779 745912929 /nfs/dbraw/zinc/91/29/29/745912929.db2.gz LGPBHRMSRRFXPT-KBXCAEBGSA-N 1 0 356.894 2.615 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834878541 745917613 /nfs/dbraw/zinc/91/76/13/745917613.db2.gz KPLKBTDRNKBJQF-GDBMZVCRSA-N 1 0 371.522 2.794 20 10 FFCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834880673 745918113 /nfs/dbraw/zinc/91/81/13/745918113.db2.gz BCFAPOBEVHNOPV-YZVOILCLSA-N 1 0 368.905 2.879 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000835036891 745936170 /nfs/dbraw/zinc/93/61/70/745936170.db2.gz SESKPAFHODVQCI-XQQSMPNESA-N 1 0 361.555 2.563 20 10 FFCDRO CC[N@@H+]1CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000839144703 746787528 /nfs/dbraw/zinc/78/75/28/746787528.db2.gz JRKPGYMCMFAHKT-KBXCAEBGSA-N 1 0 353.457 2.621 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1SC ZINC000839146139 746788294 /nfs/dbraw/zinc/78/82/94/746788294.db2.gz XOPDYLUKPCYOJL-JFIYKMOQSA-N 1 0 372.481 2.800 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840890031 747214364 /nfs/dbraw/zinc/21/43/64/747214364.db2.gz KYNJEKCPBWTNMQ-AWEZNQCLSA-N 1 0 374.934 2.652 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000840893382 747216500 /nfs/dbraw/zinc/21/65/00/747216500.db2.gz IXDQOSPEQKLVPX-JKSUJKDBSA-N 1 0 352.544 2.795 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c(Cl)c1 ZINC000840897356 747218444 /nfs/dbraw/zinc/21/84/44/747218444.db2.gz SCQOBWVPGIQAKS-CQSZACIVSA-N 1 0 363.767 2.627 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000840942749 747237105 /nfs/dbraw/zinc/23/71/05/747237105.db2.gz CDRVKLOUXVMFHB-UHFFFAOYSA-N 1 0 360.523 2.808 20 10 FFCDRO O=C(NCCCSc1nccs1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841331216 747318306 /nfs/dbraw/zinc/31/83/06/747318306.db2.gz UIRKGFIJLDMUOY-UHFFFAOYSA-N 1 0 364.496 2.929 20 10 FFCDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000841707437 747437588 /nfs/dbraw/zinc/43/75/88/747437588.db2.gz TVOLKIWRQFLULI-KRWDZBQOSA-N 1 0 362.543 2.571 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841771547 747455671 /nfs/dbraw/zinc/45/56/71/747455671.db2.gz XXMMCEWZSRDQIF-ZFWWWQNUSA-N 1 0 357.420 2.652 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000842007489 747500909 /nfs/dbraw/zinc/50/09/09/747500909.db2.gz YQKSLCCNFQCSGD-MRXNPFEDSA-N 1 0 354.445 2.671 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Cl)cc1O ZINC000842884717 747714563 /nfs/dbraw/zinc/71/45/63/747714563.db2.gz UOUMDXGFIXTHSC-WCQYABFASA-N 1 0 367.854 2.931 20 10 FFCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CCO1 ZINC000843066279 747759716 /nfs/dbraw/zinc/75/97/16/747759716.db2.gz UAJYLAHJWFJTKK-OAHLLOKOSA-N 1 0 368.319 2.599 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000843117620 747776937 /nfs/dbraw/zinc/77/69/37/747776937.db2.gz QXHQLHXKHUYHCD-MRXNPFEDSA-N 1 0 355.276 2.739 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843455085 747839572 /nfs/dbraw/zinc/83/95/72/747839572.db2.gz HTEYEHXPXMMOJS-SNVBAGLBSA-N 1 0 365.275 2.719 20 10 FFCDRO COCC[NH2+]C1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000844901489 748131830 /nfs/dbraw/zinc/13/18/30/748131830.db2.gz WVLCBOUFYGFBKG-UHFFFAOYSA-N 1 0 357.292 2.664 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846146067 748415217 /nfs/dbraw/zinc/41/52/17/748415217.db2.gz PUKWJIDHAKKIMC-STQMWFEESA-N 1 0 364.467 2.721 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1O ZINC000846164121 748418562 /nfs/dbraw/zinc/41/85/62/748418562.db2.gz FOLPVYNHRKHWFG-CYBMUJFWSA-N 1 0 370.515 2.644 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206931 748430408 /nfs/dbraw/zinc/43/04/08/748430408.db2.gz VVHGRADFWJJAHL-WDEREUQCSA-N 1 0 353.260 2.816 20 10 FFCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846213696 748431735 /nfs/dbraw/zinc/43/17/35/748431735.db2.gz JTAVBCILDYHYBY-KXBFYZLASA-N 1 0 368.905 2.759 20 10 FFCDRO CC[C@@](C)(CO)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590963 748736429 /nfs/dbraw/zinc/73/64/29/748736429.db2.gz LPUVTDRMGQBUPZ-YJBOKZPZSA-N 1 0 354.878 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)c1O ZINC000848536886 748953856 /nfs/dbraw/zinc/95/38/56/748953856.db2.gz XVXMAMRFCRUVLH-ZJNREGCTSA-N 1 0 364.305 2.971 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC2(O)CCOCC2)c1O ZINC000848549305 748957018 /nfs/dbraw/zinc/95/70/18/748957018.db2.gz SIUZETQDIKETLD-NSHDSACASA-N 1 0 374.275 2.746 20 10 FFCDRO [NH2+]=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC1CCCCC1 ZINC000849115785 749057267 /nfs/dbraw/zinc/05/72/67/749057267.db2.gz DMWOJNYYEPNWDF-UHFFFAOYSA-N 1 0 352.429 2.748 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000849349191 749108753 /nfs/dbraw/zinc/10/87/53/749108753.db2.gz WZBWIXGBXOFFTK-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850121041 749306145 /nfs/dbraw/zinc/30/61/45/749306145.db2.gz BAXHKJCYYPNNGV-HUUCEWRRSA-N 1 0 350.503 2.897 20 10 FFCDRO COc1cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850301334 749338817 /nfs/dbraw/zinc/33/88/17/749338817.db2.gz SHXIBFBLZQPQAP-CYBMUJFWSA-N 1 0 355.500 2.613 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cc1 ZINC000850349980 749349366 /nfs/dbraw/zinc/34/93/66/749349366.db2.gz MNWSUBNTLRNXMI-DEOSSOPVSA-N 1 0 364.433 2.565 20 10 FFCDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356359 749351007 /nfs/dbraw/zinc/35/10/07/749351007.db2.gz RPLBZBHVWQGQFN-AEFFLSMTSA-N 1 0 350.528 2.837 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CC(O)(C2CC2)C2CC2)c1O ZINC000850387107 749357561 /nfs/dbraw/zinc/35/75/61/749357561.db2.gz UPUDXVYBSNFFRN-UHFFFAOYSA-N 1 0 356.260 2.804 20 10 FFCDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850508643 749378115 /nfs/dbraw/zinc/37/81/15/749378115.db2.gz VUWZNBUBYLERJE-OALUTQOASA-N 1 0 350.528 2.836 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000853531928 750085901 /nfs/dbraw/zinc/08/59/01/750085901.db2.gz LYVZLZPNMXFGTP-OLZOCXBDSA-N 1 0 361.360 2.883 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000152007644 845672892 /nfs/dbraw/zinc/67/28/92/845672892.db2.gz BJQFCKMEJCPPGQ-UHFFFAOYSA-N 1 0 363.527 2.950 20 10 FFCDRO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1O ZINC000389894015 845839909 /nfs/dbraw/zinc/83/99/09/845839909.db2.gz LITHCWKZFIVYPZ-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000840256005 970860214 /nfs/dbraw/zinc/86/02/14/970860214.db2.gz OLUCYTCEMXEVMR-SJORKVTESA-N 1 0 358.530 2.776 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000895813387 970980427 /nfs/dbraw/zinc/98/04/27/970980427.db2.gz JHVVTGVZZKHPEX-UHFFFAOYSA-N 1 0 363.505 2.893 20 10 FFCDRO Cc1cccc(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000182197781 971005678 /nfs/dbraw/zinc/00/56/78/971005678.db2.gz YFGVUIVGOWFIRZ-UHFFFAOYSA-N 1 0 374.506 2.891 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3c(O)cccc3Cl)C2)C(=O)N1CC(F)F ZINC001275840331 1013069289 /nfs/dbraw/zinc/06/92/89/1013069289.db2.gz JUDQVHYJRABEMB-QGZVFWFLSA-N 1 0 372.799 2.652 20 10 FFCDRO CCOC1CC2(C[C@H]2NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000896320994 971420956 /nfs/dbraw/zinc/42/09/56/971420956.db2.gz QJFFVOKNKLSDBX-KYBDOYODSA-N 1 0 374.529 2.612 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000896444189 971493959 /nfs/dbraw/zinc/49/39/59/971493959.db2.gz HPDLCFZSSJUVQC-JLYLLQBASA-N 1 0 374.554 2.664 20 10 FFCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000896491988 971509985 /nfs/dbraw/zinc/50/99/85/971509985.db2.gz HXLGHLMMKYWFCD-KRWDZBQOSA-N 1 0 358.461 2.775 20 10 FFCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893329464 971606077 /nfs/dbraw/zinc/60/60/77/971606077.db2.gz QYPHVHNIOSOMEO-MRXNPFEDSA-N 1 0 356.470 2.537 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2O)N1Cc1ncccn1 ZINC001275895856 1013155243 /nfs/dbraw/zinc/15/52/43/1013155243.db2.gz OXYOAPDGPOXXJJ-HZPDHXFCSA-N 1 0 372.856 2.601 20 10 FFCDRO COc1ccccc1CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740680 960322584 /nfs/dbraw/zinc/32/25/84/960322584.db2.gz NXFPZNFAIZIDDO-UHFFFAOYSA-N 1 0 367.493 2.696 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)CCO)C1 ZINC000652959132 960420853 /nfs/dbraw/zinc/42/08/53/960420853.db2.gz ZCGMMDFZJLUHBY-MRXNPFEDSA-N 1 0 357.498 2.637 20 10 FFCDRO Nc1nc(NCc2ccc(N3CCOCC3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000825610114 1013219668 /nfs/dbraw/zinc/21/96/68/1013219668.db2.gz AHUKDEYIJITWDD-UHFFFAOYSA-N 1 0 357.433 2.525 20 10 FFCDRO CCOC1CC2(C[C@H]2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245945 962562518 /nfs/dbraw/zinc/56/25/18/962562518.db2.gz KMMLNFHYFWIHJH-JMDAGXMHSA-N 1 0 359.514 2.677 20 10 FFCDRO COc1ccc(C=O)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246845 962567563 /nfs/dbraw/zinc/56/75/63/962567563.db2.gz QIHOGWQXPLTNJN-IBGZPJMESA-N 1 0 369.465 2.606 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ocnc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891247790 962579009 /nfs/dbraw/zinc/57/90/09/962579009.db2.gz VFUSLKNKLHPHPF-ZDUSSCGKSA-N 1 0 370.375 2.792 20 10 FFCDRO Cc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1O ZINC000891248017 962579152 /nfs/dbraw/zinc/57/91/52/962579152.db2.gz JXGVBFWYPAUHEN-LJQANCHMSA-N 1 0 355.482 2.728 20 10 FFCDRO COCc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252179 962597795 /nfs/dbraw/zinc/59/77/95/962597795.db2.gz HXMLXDBRSRMFOM-FQEVSTJZSA-N 1 0 355.482 2.932 20 10 FFCDRO Cc1cc(C)n([C@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891255150 962616472 /nfs/dbraw/zinc/61/64/72/962616472.db2.gz NFJNUZOZBANFTL-XLIONFOSSA-N 1 0 371.529 2.936 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3ncccc23)[NH+](C)C)cc1 ZINC000891255937 962619169 /nfs/dbraw/zinc/61/91/69/962619169.db2.gz SUCQOLUERQARQE-SFHVURJKSA-N 1 0 351.454 2.662 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Cn1cccn1 ZINC000873050259 1013364245 /nfs/dbraw/zinc/36/42/45/1013364245.db2.gz LINYCVJVNYHMQX-PKOBYXMFSA-N 1 0 370.497 2.677 20 10 FFCDRO CCN(C)c1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1C ZINC001167422758 963010928 /nfs/dbraw/zinc/01/09/28/963010928.db2.gz AJLYZAQBVKQBEM-UHFFFAOYSA-N 1 0 354.502 2.605 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)cc1Cn1cccn1 ZINC000873148719 1013403278 /nfs/dbraw/zinc/40/32/78/1013403278.db2.gz GYLXEJGEUHZLNC-LJQANCHMSA-N 1 0 371.481 2.615 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnc(OCC4CC4)nc3)cc2)CC1 ZINC001167437392 963272503 /nfs/dbraw/zinc/27/25/03/963272503.db2.gz UJAKKEUAUUXPAI-UHFFFAOYSA-N 1 0 353.470 2.629 20 10 FFCDRO COc1cccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1O ZINC000873191097 1013416544 /nfs/dbraw/zinc/41/65/44/1013416544.db2.gz IRBSIUFLKFFRSL-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000588407774 963721812 /nfs/dbraw/zinc/72/18/12/963721812.db2.gz QPLCWTOYLNHVLU-LCBOHDIASA-N 1 0 352.434 2.890 20 10 FFCDRO Cc1ncsc1CN1CC2(C1)CCC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001279225614 963901545 /nfs/dbraw/zinc/90/15/45/963901545.db2.gz PMVSPLFNCNLEHK-UHFFFAOYSA-N 1 0 359.495 2.961 20 10 FFCDRO Cc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891932058 965425301 /nfs/dbraw/zinc/42/53/01/965425301.db2.gz RIDMJBMPFWKKEB-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO Cc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891932059 965425426 /nfs/dbraw/zinc/42/54/26/965425426.db2.gz RIDMJBMPFWKKEB-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO CC[N@H+](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)C1CC1 ZINC000120072207 966389329 /nfs/dbraw/zinc/38/93/29/966389329.db2.gz SXLWRESKYIUAKU-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237220655 967606837 /nfs/dbraw/zinc/60/68/37/967606837.db2.gz HCYYLRYHYOGNOE-OAQYLSRUSA-N 1 0 367.493 2.962 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000052465264 967613313 /nfs/dbraw/zinc/61/33/13/967613313.db2.gz LIOAAAHBOMVYHQ-ROUUACIJSA-N 1 0 359.514 2.712 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000179013363 967752984 /nfs/dbraw/zinc/75/29/84/967752984.db2.gz MTXCBMYVSVKITE-PMACEKPBSA-N 1 0 352.482 2.997 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000162127101 967988586 /nfs/dbraw/zinc/98/85/86/967988586.db2.gz GPRRCUZJCXZLSO-MRXNPFEDSA-N 1 0 354.454 2.958 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000219700172 968032226 /nfs/dbraw/zinc/03/22/26/968032226.db2.gz NWRQZVVEVQPFIN-FXAWDEMLSA-N 1 0 359.514 2.854 20 10 FFCDRO COC1CCC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000895309687 969127198 /nfs/dbraw/zinc/12/71/98/969127198.db2.gz PSIVPAADDRUPJS-NKELODKYSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c(O)c1OC ZINC000892720520 970245336 /nfs/dbraw/zinc/24/53/36/970245336.db2.gz LQRKQEKNJLDGNK-MRXNPFEDSA-N 1 0 358.438 2.719 20 10 FFCDRO Cc1ccc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000892945647 970403046 /nfs/dbraw/zinc/40/30/46/970403046.db2.gz DKCSTKLWTMTGAJ-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC000876024938 1014111931 /nfs/dbraw/zinc/11/19/31/1014111931.db2.gz MIEBAWHZKMIMMK-UHFFFAOYSA-N 1 0 370.501 2.880 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000104316132 973526167 /nfs/dbraw/zinc/52/61/67/973526167.db2.gz ZQVBAAJLFAHVBR-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000653046170 1014215097 /nfs/dbraw/zinc/21/50/97/1014215097.db2.gz LRXRHLLBAWEBNK-HNNXBMFYSA-N 1 0 355.482 2.645 20 10 FFCDRO C[NH2+][C@@H]1CCCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000653047775 1014215700 /nfs/dbraw/zinc/21/57/00/1014215700.db2.gz SLSUTDTXDZTMKT-OAHLLOKOSA-N 1 0 355.482 2.739 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)ccc21 ZINC000644823199 975229676 /nfs/dbraw/zinc/22/96/76/975229676.db2.gz ZJEURUJATNHRDS-PXNSSMCTSA-N 1 0 355.482 2.681 20 10 FFCDRO CC(=O)NCC1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898448438 976460523 /nfs/dbraw/zinc/46/05/23/976460523.db2.gz SFLGIOAIHOCUER-XTXLOEGASA-N 1 0 360.546 2.640 20 10 FFCDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000843808777 977302867 /nfs/dbraw/zinc/30/28/67/977302867.db2.gz QXTVKBRALNSQFJ-CKEIUWERSA-N 1 0 367.440 2.713 20 10 FFCDRO CC(=O)O[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001211729127 977515845 /nfs/dbraw/zinc/51/58/45/977515845.db2.gz RQBUQASNUCUXDZ-QZTJIDSGSA-N 1 0 366.421 2.763 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)c1 ZINC000876880014 1014408973 /nfs/dbraw/zinc/40/89/73/1014408973.db2.gz YEFNQXFOXMUKTR-CKFHNAJUSA-N 1 0 358.438 2.511 20 10 FFCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(C)cc3O)CC2)cc1 ZINC000876921590 1014421948 /nfs/dbraw/zinc/42/19/48/1014421948.db2.gz QFRDPRCKTMQHNT-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]CCCc3cnn(C)c3)cc2F)C[C@H](C)O1 ZINC000876945547 1014428445 /nfs/dbraw/zinc/42/84/45/1014428445.db2.gz DYFWOSCBSGDJLB-IYBDPMFKSA-N 1 0 360.477 2.895 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248707486 977873213 /nfs/dbraw/zinc/87/32/13/977873213.db2.gz AXMUOCABNYMOEU-HNAYVOBHSA-N 1 0 369.465 2.721 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000876965912 1014435414 /nfs/dbraw/zinc/43/54/14/1014435414.db2.gz NEQDALDIVSUBPX-HXUWFJFHSA-N 1 0 354.494 2.589 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000876972815 1014436963 /nfs/dbraw/zinc/43/69/63/1014436963.db2.gz PDWUKFDIFZZOGF-GOSISDBHSA-N 1 0 354.450 2.899 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1O ZINC000894155437 978002269 /nfs/dbraw/zinc/00/22/69/978002269.db2.gz DRVLUXGCROICHF-QGZVFWFLSA-N 1 0 360.454 2.774 20 10 FFCDRO CN(C(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000877075693 1014469523 /nfs/dbraw/zinc/46/95/23/1014469523.db2.gz FFMQTHYLWZQWRW-UHFFFAOYSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)c(O)c1OC ZINC000894243377 978402345 /nfs/dbraw/zinc/40/23/45/978402345.db2.gz IEECQTCLQFLDNX-RHSMWYFYSA-N 1 0 370.449 2.689 20 10 FFCDRO Cc1nocc1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000888737776 1014502693 /nfs/dbraw/zinc/50/26/93/1014502693.db2.gz WKLMVZXPDRTGCK-UHFFFAOYSA-N 1 0 369.469 2.837 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]32)cc1 ZINC001076623427 979725544 /nfs/dbraw/zinc/72/55/44/979725544.db2.gz WEQDHQYQRCQUFN-DOTOQJQBSA-N 1 0 355.442 2.795 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC000877532452 1014614841 /nfs/dbraw/zinc/61/48/41/1014614841.db2.gz GLUOWQKYYVWXPV-LBPRGKRZSA-N 1 0 361.442 2.940 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC000877598173 1014639868 /nfs/dbraw/zinc/63/98/68/1014639868.db2.gz JWYAVBCUVSJSQY-OAHLLOKOSA-N 1 0 357.454 2.734 20 10 FFCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877639428 1014656850 /nfs/dbraw/zinc/65/68/50/1014656850.db2.gz JNSBSBWPZOUEDT-TZIWHRDSSA-N 1 0 360.498 2.859 20 10 FFCDRO OCC1(CO)CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000877797754 1014732015 /nfs/dbraw/zinc/73/20/15/1014732015.db2.gz BCKPIOSZSQRGBW-UHFFFAOYSA-N 1 0 357.450 2.538 20 10 FFCDRO CN(C)C(=O)c1ccc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000897524744 981482487 /nfs/dbraw/zinc/48/24/87/981482487.db2.gz CNTROPWJBZHDTA-GOSISDBHSA-N 1 0 355.486 2.564 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2ccc3nnc(C4CC4)n3n2)[NH+](C)C)cc1 ZINC000897525060 981493663 /nfs/dbraw/zinc/49/36/63/981493663.db2.gz IRHXHSKAXKBGFS-KRWDZBQOSA-N 1 0 365.485 2.783 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000031728882 981857020 /nfs/dbraw/zinc/85/70/20/981857020.db2.gz CBZBOSLPIBFAKQ-LJQANCHMSA-N 1 0 358.461 2.994 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CCc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000877983732 1014795890 /nfs/dbraw/zinc/79/58/90/1014795890.db2.gz RGUPNOMGZSYKPN-UHFFFAOYSA-N 1 0 353.466 2.549 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000911277944 982186917 /nfs/dbraw/zinc/18/69/17/982186917.db2.gz YGJOKXIUXDHCDF-QZTJIDSGSA-N 1 0 359.514 2.760 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c(O)c(C(C)(C)C)c1 ZINC000898151609 982628003 /nfs/dbraw/zinc/62/80/03/982628003.db2.gz RMDVSKFJBYTXPS-CQSZACIVSA-N 1 0 372.469 2.562 20 10 FFCDRO CC(=O)Nc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000911665470 983862964 /nfs/dbraw/zinc/86/29/64/983862964.db2.gz CQBRSMMGSBQVND-KRWDZBQOSA-N 1 0 374.872 2.794 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000911666374 983863572 /nfs/dbraw/zinc/86/35/72/983863572.db2.gz IHUJHXRMLUBAHA-SCTDSRPQSA-N 1 0 359.420 2.951 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2(C)C)cc1C ZINC000996340237 984319998 /nfs/dbraw/zinc/31/99/98/984319998.db2.gz NBPBBVFXHSSNHI-IZBJGVDFSA-N 1 0 372.509 2.898 20 10 FFCDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1 ZINC000760818820 984531704 /nfs/dbraw/zinc/53/17/04/984531704.db2.gz SNIKNWLDBBZJMJ-CPFIRTDXSA-N 1 0 374.444 2.999 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000764843272 984740514 /nfs/dbraw/zinc/74/05/14/984740514.db2.gz BGGYSWQHABVNQH-LEWJYISDSA-N 1 0 362.514 2.665 20 10 FFCDRO CN(Cc1ccccc1-n1cncn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222609 984930975 /nfs/dbraw/zinc/93/09/75/984930975.db2.gz KMUWVEICUJGGOJ-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1nccc1-c1cccnc1 ZINC000170637535 985100713 /nfs/dbraw/zinc/10/07/13/985100713.db2.gz CWMCFLFQTRIOPS-UHFFFAOYSA-N 1 0 363.465 2.871 20 10 FFCDRO CCC[N@H+](CC(=O)NC1(C(=O)OC)CCCCC1)Cc1ccccc1O ZINC000170779158 985141859 /nfs/dbraw/zinc/14/18/59/985141859.db2.gz WEOUPQHFACSWNZ-UHFFFAOYSA-N 1 0 362.470 2.596 20 10 FFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1C ZINC000998099775 985939090 /nfs/dbraw/zinc/93/90/90/985939090.db2.gz JQVVRNBSSBAXEH-OXQOHEQNSA-N 1 0 360.498 2.899 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c1O ZINC000174468253 986229580 /nfs/dbraw/zinc/22/95/80/986229580.db2.gz QVYSOMRSZRYDQZ-KRWDZBQOSA-N 1 0 370.449 2.560 20 10 FFCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(I)cc2O)C1 ZINC001232977792 986351673 /nfs/dbraw/zinc/35/16/73/986351673.db2.gz MPPZRSXUDWCDIE-CQSZACIVSA-N 1 0 374.266 2.911 20 10 FFCDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978832 988266158 /nfs/dbraw/zinc/26/61/58/988266158.db2.gz PUQMSPDUNDPJON-HRAATJIYSA-N 1 0 370.518 2.945 20 10 FFCDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000879134420 1015378991 /nfs/dbraw/zinc/37/89/91/1015378991.db2.gz FHHRSCKPLONGRC-IIBYNOLFSA-N 1 0 360.498 2.933 20 10 FFCDRO C[NH+](C)CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000922632859 988771849 /nfs/dbraw/zinc/77/18/49/988771849.db2.gz MSORETFDEPGDPI-QFIPXVFZSA-N 1 0 368.525 2.825 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c1 ZINC000705628810 990477761 /nfs/dbraw/zinc/47/77/61/990477761.db2.gz CAMINULWGNWRDF-UHFFFAOYSA-N 1 0 366.458 2.564 20 10 FFCDRO Cc1cc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000918906405 990521867 /nfs/dbraw/zinc/52/18/67/990521867.db2.gz NYGIEQDPZDFUOR-UHFFFAOYSA-N 1 0 352.482 2.689 20 10 FFCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920182404 990810088 /nfs/dbraw/zinc/81/00/88/990810088.db2.gz MUOFBHDUVMXTDB-KRWDZBQOSA-N 1 0 365.474 2.708 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000920252588 990819865 /nfs/dbraw/zinc/81/98/65/990819865.db2.gz NJMWZGVUYXHLTO-IBGZPJMESA-N 1 0 352.482 2.676 20 10 FFCDRO CCC[N@H+](CC(=O)NCCc1ccccc1OC)Cc1ccccc1O ZINC000075829180 991250373 /nfs/dbraw/zinc/25/03/73/991250373.db2.gz CCMOUENZBHWONT-UHFFFAOYSA-N 1 0 356.466 2.972 20 10 FFCDRO C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]C1 ZINC000237597492 991282819 /nfs/dbraw/zinc/28/28/19/991282819.db2.gz AXVSKMXVEFFFNK-LIRRHRJNSA-N 1 0 367.440 2.763 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C)ccc1O ZINC000179605085 991302801 /nfs/dbraw/zinc/30/28/01/991302801.db2.gz WTNRTWRYKYMKHB-UHFFFAOYSA-N 1 0 356.422 2.932 20 10 FFCDRO COc1ccc(CCNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000879651181 1015625049 /nfs/dbraw/zinc/62/50/49/1015625049.db2.gz LOXNZTCRKIYHQS-GJZGRUSLSA-N 1 0 372.465 2.807 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N2CCCCCC2)cc1 ZINC000180210544 991459992 /nfs/dbraw/zinc/45/99/92/991459992.db2.gz NNKARLVMFRUTRM-MRXNPFEDSA-N 1 0 355.486 2.871 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069607804 991807432 /nfs/dbraw/zinc/80/74/32/991807432.db2.gz MAIUBUPTLKCIFY-OAQYLSRUSA-N 1 0 372.557 2.661 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069607805 991807918 /nfs/dbraw/zinc/80/79/18/991807918.db2.gz MAIUBUPTLKCIFY-NRFANRHFSA-N 1 0 372.557 2.661 20 10 FFCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cccc(I)c2O)C1 ZINC001237784241 992718238 /nfs/dbraw/zinc/71/82/38/992718238.db2.gz SRNSIUDWUOWFBP-CYBMUJFWSA-N 1 0 374.266 2.911 20 10 FFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809691562 994568565 /nfs/dbraw/zinc/56/85/65/994568565.db2.gz OCENUFAZFCBORC-IBGZPJMESA-N 1 0 361.486 2.624 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1F ZINC000747622539 994868808 /nfs/dbraw/zinc/86/88/08/994868808.db2.gz OFWVOXVYKROZPZ-SFHVURJKSA-N 1 0 363.477 2.541 20 10 FFCDRO CCc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082579822 994980952 /nfs/dbraw/zinc/98/09/52/994980952.db2.gz MDRDPSVHUUCPHT-DNVCBOLYSA-N 1 0 370.497 2.550 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001132898988 995193668 /nfs/dbraw/zinc/19/36/68/995193668.db2.gz IZCJVJZBZKUSSF-RTWAWAEBSA-N 1 0 367.468 2.997 20 10 FFCDRO CO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC001132903190 995199886 /nfs/dbraw/zinc/19/98/86/995199886.db2.gz VVBDKEJJNPDWLF-HXUWFJFHSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c(C)nn(C)c3C)C[C@H]2C)cc1C ZINC001082671990 995210139 /nfs/dbraw/zinc/21/01/39/995210139.db2.gz NLZWCJOIVQAHSW-RDTXWAMCSA-N 1 0 370.497 2.604 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)cc1 ZINC000811931134 995292968 /nfs/dbraw/zinc/29/29/68/995292968.db2.gz VMBONQSRWPPOQU-INIZCTEOSA-N 1 0 362.518 2.692 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c(C)n[nH]c3C)C[C@H]2C)cc1C ZINC001082811314 995545092 /nfs/dbraw/zinc/54/50/92/995545092.db2.gz QLFJYQTXSMKNPU-CXAGYDPISA-N 1 0 356.470 2.594 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C1 ZINC000727467003 995831440 /nfs/dbraw/zinc/83/14/40/995831440.db2.gz NZFIRAQTGBHZSI-INIZCTEOSA-N 1 0 363.465 2.554 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C1 ZINC000727466824 995831810 /nfs/dbraw/zinc/83/18/10/995831810.db2.gz JOVRCIOAGOSGLL-KRWDZBQOSA-N 1 0 363.465 2.554 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@H]3C)cc2F)CC1 ZINC000730126740 996856586 /nfs/dbraw/zinc/85/65/86/996856586.db2.gz RWDQYGUVWZHFCO-QAPCUYQASA-N 1 0 362.493 2.955 20 10 FFCDRO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824686822 997054556 /nfs/dbraw/zinc/05/45/56/997054556.db2.gz OWEZDPMMNAFWAZ-KRWDZBQOSA-N 1 0 362.518 2.505 20 10 FFCDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173710 997693636 /nfs/dbraw/zinc/69/36/36/997693636.db2.gz RJDONJJEFMXISD-OAQYLSRUSA-N 1 0 373.541 2.809 20 10 FFCDRO CC[C@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC[NH2+]1 ZINC000844178322 997696754 /nfs/dbraw/zinc/69/67/54/997696754.db2.gz ONSYJHNGLXPBFR-LJQANCHMSA-N 1 0 367.440 2.905 20 10 FFCDRO CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c(O)c1 ZINC000731451388 997945615 /nfs/dbraw/zinc/94/56/15/997945615.db2.gz XVRQBQOXYVQXSR-UHFFFAOYSA-N 1 0 355.438 2.580 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000844898185 998210173 /nfs/dbraw/zinc/21/01/73/998210173.db2.gz GZQSOAKUMBIEJL-UHFFFAOYSA-N 1 0 374.872 2.904 20 10 FFCDRO [O-]c1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001144308840 998307406 /nfs/dbraw/zinc/30/74/06/998307406.db2.gz ZMPASAOLUZALPW-LLVKDONJSA-N 1 0 368.206 2.737 20 10 FFCDRO Cn1ncc2c1ncnc2N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731903249 998320202 /nfs/dbraw/zinc/32/02/02/998320202.db2.gz FXVVTEUCSSZUKL-CQSZACIVSA-N 1 0 372.860 2.799 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ccnc(C(C)C)n3)CC2)cc1 ZINC000731998284 998406032 /nfs/dbraw/zinc/40/60/32/998406032.db2.gz SJGSZLHSNKFMPK-UHFFFAOYSA-N 1 0 355.486 2.843 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001091079908 998506090 /nfs/dbraw/zinc/50/60/90/998506090.db2.gz JKEOGZRALOXOQU-MKQGEQSTSA-N 1 0 360.498 2.803 20 10 FFCDRO Oc1ccc(Br)cc1CNc1cccnc1OC1C[NH2+]C1 ZINC001171176075 998509804 /nfs/dbraw/zinc/50/98/04/998509804.db2.gz JRLFQCPWBXPMRL-UHFFFAOYSA-N 1 0 350.216 2.512 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504350 998612178 /nfs/dbraw/zinc/61/21/78/998612178.db2.gz QHWGPDAUBRVOBM-LJQANCHMSA-N 1 0 364.442 2.779 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)[C@H]1c1ccccc1 ZINC001144507679 998614649 /nfs/dbraw/zinc/61/46/49/998614649.db2.gz AAEVJKWQSJYHQN-LJQANCHMSA-N 1 0 368.433 2.599 20 10 FFCDRO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508589 998615227 /nfs/dbraw/zinc/61/52/27/998615227.db2.gz RETLOGSRTSSPQM-IBGZPJMESA-N 1 0 374.462 2.884 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2cn(CC3CC3)nc21 ZINC001144509528 998622280 /nfs/dbraw/zinc/62/22/80/998622280.db2.gz DPBVECLPRJOTLN-OAHLLOKOSA-N 1 0 373.453 2.546 20 10 FFCDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509214 998622733 /nfs/dbraw/zinc/62/27/33/998622733.db2.gz PGOIDFFVOTUAMP-UHFFFAOYSA-N 1 0 352.431 2.683 20 10 FFCDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515816 998627177 /nfs/dbraw/zinc/62/71/77/998627177.db2.gz GEERPZYJGXQXAS-GFCCVEGCSA-N 1 0 372.396 2.563 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144515820 998627497 /nfs/dbraw/zinc/62/74/97/998627497.db2.gz GKFDXHDZIZPFGM-CORIIIEPSA-N 1 0 364.442 2.539 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000734276307 999253438 /nfs/dbraw/zinc/25/34/38/999253438.db2.gz YATGWHZPOFTPTP-SFHVURJKSA-N 1 0 356.514 2.959 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c(O)c1 ZINC000742374076 999772551 /nfs/dbraw/zinc/77/25/51/999772551.db2.gz ICLGXFLLMUSZSQ-IBGZPJMESA-N 1 0 367.449 2.719 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000741794528 1000121824 /nfs/dbraw/zinc/12/18/24/1000121824.db2.gz WGWZYJFQNHGGOE-ROUUACIJSA-N 1 0 359.514 2.854 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)cc1 ZINC001144642464 1000191134 /nfs/dbraw/zinc/19/11/34/1000191134.db2.gz SXBXEOXTURRGBC-UHFFFAOYSA-N 1 0 351.454 2.689 20 10 FFCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000846075068 1000198909 /nfs/dbraw/zinc/19/89/09/1000198909.db2.gz LJLYUYJZGHPERI-MRXNPFEDSA-N 1 0 372.469 2.686 20 10 FFCDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768439974 1000248330 /nfs/dbraw/zinc/24/83/30/1000248330.db2.gz BLTOCFWNVQNFCW-IBGZPJMESA-N 1 0 353.418 2.913 20 10 FFCDRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444325 1000249999 /nfs/dbraw/zinc/24/99/99/1000249999.db2.gz AAHILEVRDHGRFE-AUUYWEPGSA-N 1 0 371.433 2.629 20 10 FFCDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000768463413 1000263087 /nfs/dbraw/zinc/26/30/87/1000263087.db2.gz SPEJLOYSFJPYKB-HXUWFJFHSA-N 1 0 354.450 2.757 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(c4ccccc4)CC3)cc2)CC1 ZINC000768527342 1000284183 /nfs/dbraw/zinc/28/41/83/1000284183.db2.gz VYRUSDLFWNGVFC-UHFFFAOYSA-N 1 0 365.521 2.922 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC(F)(F)C1 ZINC000768532334 1000286144 /nfs/dbraw/zinc/28/61/44/1000286144.db2.gz BEFMFRXXNHMNPN-UHFFFAOYSA-N 1 0 363.452 2.880 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000769405689 1000509048 /nfs/dbraw/zinc/50/90/48/1000509048.db2.gz YKRYASMTYYPFHS-FQEVSTJZSA-N 1 0 365.477 2.624 20 10 FFCDRO COCCOc1ccccc1N1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000769519720 1000540322 /nfs/dbraw/zinc/54/03/22/1000540322.db2.gz ZVRWOPFGISQNBR-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO COC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769663729 1000572343 /nfs/dbraw/zinc/57/23/43/1000572343.db2.gz QJQHHHVLKCRZDF-AWEZNQCLSA-N 1 0 358.438 2.513 20 10 FFCDRO CO[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC000770008584 1000653016 /nfs/dbraw/zinc/65/30/16/1000653016.db2.gz AQDHTBOKNACDOM-FQEVSTJZSA-N 1 0 359.514 2.506 20 10 FFCDRO COCCN1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000787443006 1001691523 /nfs/dbraw/zinc/69/15/23/1001691523.db2.gz YRZBPLVJRWHTPC-UHFFFAOYSA-N 1 0 354.450 2.740 20 10 FFCDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000788958065 1001921735 /nfs/dbraw/zinc/92/17/35/1001921735.db2.gz GLWMDQGJGNZYHV-UHFFFAOYSA-N 1 0 373.409 2.502 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000774483877 1001926064 /nfs/dbraw/zinc/92/60/64/1001926064.db2.gz QCYQYUATLLGAAI-GJZGRUSLSA-N 1 0 366.465 2.777 20 10 FFCDRO COC(=O)c1c(C[NH2+][C@H]2CC[C@@H](C(=O)OC)C2)c2cc(F)ccc2n1C ZINC001183769959 1002374015 /nfs/dbraw/zinc/37/40/15/1002374015.db2.gz ZKIJKJWRIAHJNS-YPMHNXCESA-N 1 0 362.401 2.535 20 10 FFCDRO COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288643 1002463524 /nfs/dbraw/zinc/46/35/24/1002463524.db2.gz MSOFRUYMWIJNTP-INIZCTEOSA-N 1 0 371.275 2.645 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774839311 1002849964 /nfs/dbraw/zinc/84/99/64/1002849964.db2.gz ISPRHXIAPLNBEQ-UHFFFAOYSA-N 1 0 374.393 2.874 20 10 FFCDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001185273714 1002895924 /nfs/dbraw/zinc/89/59/24/1002895924.db2.gz VZOWGELOQQEMMT-CYBMUJFWSA-N 1 0 365.821 2.764 20 10 FFCDRO COc1cc(N2CC[NH+](CC3(OC)CCCC3)CC2)cc(OC)c1OC ZINC000792175543 1002933836 /nfs/dbraw/zinc/93/38/36/1002933836.db2.gz VRIMVBQQPADNCK-UHFFFAOYSA-N 1 0 364.486 2.794 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000792805323 1003188584 /nfs/dbraw/zinc/18/85/84/1003188584.db2.gz FLEYCGPNTIOCLP-ZWKOTPCHSA-N 1 0 371.447 2.802 20 10 FFCDRO COc1ccc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000792833298 1003199177 /nfs/dbraw/zinc/19/91/77/1003199177.db2.gz XUJYQDYPGGODPL-HOTGVXAUSA-N 1 0 363.502 2.958 20 10 FFCDRO COc1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(O)c1 ZINC000792839892 1003208051 /nfs/dbraw/zinc/20/80/51/1003208051.db2.gz AWWUMMUELFVOFU-HUUCEWRRSA-N 1 0 363.502 2.957 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000792892435 1003221702 /nfs/dbraw/zinc/22/17/02/1003221702.db2.gz DEDSTALGPSPJIB-RXVVDRJESA-N 1 0 361.530 2.755 20 10 FFCDRO Cn1c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2sc1=O ZINC000792929138 1003236880 /nfs/dbraw/zinc/23/68/80/1003236880.db2.gz AOIUULWLEBUWBO-UHFFFAOYSA-N 1 0 369.490 2.726 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1 ZINC000793146728 1003292393 /nfs/dbraw/zinc/29/23/93/1003292393.db2.gz AYBNLMDJQXRTIF-HOCLYGCPSA-N 1 0 361.486 2.853 20 10 FFCDRO COc1c(O)c(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000775049429 1003420732 /nfs/dbraw/zinc/42/07/32/1003420732.db2.gz ZZQCAXZYSNERCN-HNNXBMFYSA-N 1 0 371.397 2.839 20 10 FFCDRO CCN(CC)c1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1F ZINC001186786393 1003425926 /nfs/dbraw/zinc/42/59/26/1003425926.db2.gz DRERCFCIGRGIGR-UHFFFAOYSA-N 1 0 371.522 2.577 20 10 FFCDRO COc1ccc(Br)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205780933 1003887673 /nfs/dbraw/zinc/88/76/73/1003887673.db2.gz UCKYCMVXESCOQK-SECBINFHSA-N 1 0 365.218 2.579 20 10 FFCDRO CC[N@H+](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC000102573339 1003905557 /nfs/dbraw/zinc/90/55/57/1003905557.db2.gz BIBCUTJFYJDDFL-SFHVURJKSA-N 1 0 363.502 2.813 20 10 FFCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1CC(F)(F)F ZINC000775745230 1003983129 /nfs/dbraw/zinc/98/31/29/1003983129.db2.gz RYJQQLXALIRFCA-INIZCTEOSA-N 1 0 370.463 2.507 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1O ZINC000775489749 1003993917 /nfs/dbraw/zinc/99/39/17/1003993917.db2.gz RLZCWCITIODRHT-YJBOKZPZSA-N 1 0 370.449 2.758 20 10 FFCDRO COc1cc(O)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1Br ZINC001205789201 1003997471 /nfs/dbraw/zinc/99/74/71/1003997471.db2.gz XLCKOLGMNYIUGU-JTQLQIEISA-N 1 0 365.218 2.579 20 10 FFCDRO O=C(CCc1ncc[nH]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806745425 1004411091 /nfs/dbraw/zinc/41/10/91/1004411091.db2.gz IGCFIZUSSDUVMG-UHFFFAOYSA-N 1 0 364.396 2.729 20 10 FFCDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(O)c(O)c1Cl ZINC001193236785 1004412778 /nfs/dbraw/zinc/41/27/78/1004412778.db2.gz RBBGHWSWEZIJFB-HALDLXJZSA-N 1 0 358.825 2.611 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000806810104 1004422020 /nfs/dbraw/zinc/42/20/20/1004422020.db2.gz GEPFVYACTGJTRP-BEFAXECRSA-N 1 0 369.465 2.863 20 10 FFCDRO CCC(CC)C(=O)N1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775650398 1004935151 /nfs/dbraw/zinc/93/51/51/1004935151.db2.gz BIYQQXDLWSFHDW-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000776216097 1005277166 /nfs/dbraw/zinc/27/71/66/1005277166.db2.gz MVFCARJYOZGKMZ-IIBYNOLFSA-N 1 0 356.466 2.780 20 10 FFCDRO NC(=O)[C@@H](NCc1c(O)cccc1Br)c1ccc(F)cc1 ZINC001201902298 1005281132 /nfs/dbraw/zinc/28/11/32/1005281132.db2.gz WFDWJAFGPQQQPK-AWEZNQCLSA-N 1 0 353.191 2.610 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000850341927 1005808754 /nfs/dbraw/zinc/80/87/54/1005808754.db2.gz NTWWXNHGUJEHGR-LJQANCHMSA-N 1 0 359.466 2.727 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C3CCN(c4nccs4)CC3)cc2)CC1 ZINC000850406911 1005813666 /nfs/dbraw/zinc/81/36/66/1005813666.db2.gz YSCQSGBONJXVLM-UHFFFAOYSA-N 1 0 372.538 2.863 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnn3-c3ccccn3)cc2)CC1 ZINC000850406502 1005813841 /nfs/dbraw/zinc/81/38/41/1005813841.db2.gz JJVRKEGDQUNPDU-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850567909 1005823125 /nfs/dbraw/zinc/82/31/25/1005823125.db2.gz LUUQDNLDNHLDER-AWEZNQCLSA-N 1 0 358.438 2.878 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000850755331 1005836386 /nfs/dbraw/zinc/83/63/86/1005836386.db2.gz GGQNOAIZBDGITR-QGZVFWFLSA-N 1 0 354.454 2.815 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000852297830 1005965302 /nfs/dbraw/zinc/96/53/02/1005965302.db2.gz OIXFZSSEMTYTME-MUYFXNHWSA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1 ZINC000852447887 1006028697 /nfs/dbraw/zinc/02/86/97/1006028697.db2.gz GDQKHLAPJGONIJ-ZIFCJYIRSA-N 1 0 372.513 2.542 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2F)C[C@@H](C)O1 ZINC000813855981 1006056848 /nfs/dbraw/zinc/05/68/48/1006056848.db2.gz VKYBJQKETOTXRD-LBTNJELSSA-N 1 0 363.477 2.586 20 10 FFCDRO Cc1cc(Cn2cc(COc3ccccc3C[NH3+])nn2)ccc1N(C)C ZINC000881376941 1006071794 /nfs/dbraw/zinc/07/17/94/1006071794.db2.gz AZVCCIKVWKRRFA-UHFFFAOYSA-N 1 0 351.454 2.739 20 10 FFCDRO COCC[C@H]([NH3+])Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881378776 1006072038 /nfs/dbraw/zinc/07/20/38/1006072038.db2.gz ISCYXFSPANQULB-SFHVURJKSA-N 1 0 357.502 2.531 20 10 FFCDRO CCOC(=O)C1(O)CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000827999233 1006124384 /nfs/dbraw/zinc/12/43/84/1006124384.db2.gz KLTMWONFGQTYBK-UHFFFAOYSA-N 1 0 360.498 2.875 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000852843707 1006204744 /nfs/dbraw/zinc/20/47/44/1006204744.db2.gz FKRPNYSORRBQAO-KNBMTAEXSA-N 1 0 353.466 2.726 20 10 FFCDRO CC1(C)CC[NH2+][C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852862512 1006211054 /nfs/dbraw/zinc/21/10/54/1006211054.db2.gz GYUDRPOGRLYRSL-INIZCTEOSA-N 1 0 367.440 2.761 20 10 FFCDRO Cc1nc(CCCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000881851006 1006241435 /nfs/dbraw/zinc/24/14/35/1006241435.db2.gz NARMNEXGOIEFSP-UHFFFAOYSA-N 1 0 372.538 2.842 20 10 FFCDRO COCc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000881849446 1006242478 /nfs/dbraw/zinc/24/24/78/1006242478.db2.gz NVIRJXNBMGSQJB-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000881849715 1006242803 /nfs/dbraw/zinc/24/28/03/1006242803.db2.gz URHGOHMUNATQNJ-UHFFFAOYSA-N 1 0 368.481 2.516 20 10 FFCDRO CC(C)C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1ccnc1 ZINC000881855144 1006244498 /nfs/dbraw/zinc/24/44/98/1006244498.db2.gz PTBHULIZJRLKFZ-FQEVSTJZSA-N 1 0 369.513 2.539 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000775155645 1006339967 /nfs/dbraw/zinc/33/99/67/1006339967.db2.gz NGBQTORFMFLWMG-UHFFFAOYSA-N 1 0 368.477 2.926 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815117148 1006514544 /nfs/dbraw/zinc/51/45/44/1006514544.db2.gz LWHUFHSZEUQVCR-UHFFFAOYSA-N 1 0 363.546 2.620 20 10 FFCDRO CC(C)c1nnc2c(NCc3ccc(N4CC[NH+](C)CC4)cc3)nccn21 ZINC000882880400 1006546341 /nfs/dbraw/zinc/54/63/41/1006546341.db2.gz QEOMBBXOULRSPS-UHFFFAOYSA-N 1 0 365.485 2.612 20 10 FFCDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)cc2[nH]1 ZINC000882917854 1006562251 /nfs/dbraw/zinc/56/22/51/1006562251.db2.gz WJHOYMGDCRZMFE-UHFFFAOYSA-N 1 0 370.428 2.659 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000131393240 1006726415 /nfs/dbraw/zinc/72/64/15/1006726415.db2.gz XAZBNQUXHHDQNI-UHFFFAOYSA-N 1 0 368.481 2.782 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC(CC[NH+](C)C)CC3)C2)cc1 ZINC000854301158 1006766018 /nfs/dbraw/zinc/76/60/18/1006766018.db2.gz JNTYYWMUVWOXHG-GOSISDBHSA-N 1 0 374.529 2.647 20 10 FFCDRO C[C@@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883628052 1006915304 /nfs/dbraw/zinc/91/53/04/1006915304.db2.gz YYZDJRDVUDFYSX-APWZRJJASA-N 1 0 374.529 2.756 20 10 FFCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816502799 1007081457 /nfs/dbraw/zinc/08/14/57/1007081457.db2.gz RBRDFOACOQPPAT-UHFFFAOYSA-N 1 0 355.482 2.531 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000775254146 1007101846 /nfs/dbraw/zinc/10/18/46/1007101846.db2.gz HWKNXKJIRHWJBP-KRWDZBQOSA-N 1 0 365.477 2.763 20 10 FFCDRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775255733 1007110212 /nfs/dbraw/zinc/11/02/12/1007110212.db2.gz PEUBKPFMTUAKEJ-GOSISDBHSA-N 1 0 367.493 2.799 20 10 FFCDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1)C1CC1 ZINC000816613210 1007135057 /nfs/dbraw/zinc/13/50/57/1007135057.db2.gz MLSICCCPAFFQPQ-OAHLLOKOSA-N 1 0 374.506 2.839 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2cc(C)ccc2O)N2CCOCC2)cc1 ZINC000113313187 1007318789 /nfs/dbraw/zinc/31/87/89/1007318789.db2.gz REEVDTZDASYMBD-HXUWFJFHSA-N 1 0 356.466 2.872 20 10 FFCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000776813096 1007352888 /nfs/dbraw/zinc/35/28/88/1007352888.db2.gz TZXQCHWETNBPBL-CTNGQTDRSA-N 1 0 357.450 2.969 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000775365019 1007504133 /nfs/dbraw/zinc/50/41/33/1007504133.db2.gz ULJZDCWTYMPABF-GFCCVEGCSA-N 1 0 359.382 2.907 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000855735000 1007532229 /nfs/dbraw/zinc/53/22/29/1007532229.db2.gz KGKPAKSAFCRGTC-QIBOZCLASA-N 1 0 366.461 2.886 20 10 FFCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212727 1007728816 /nfs/dbraw/zinc/72/88/16/1007728816.db2.gz ULDNRZSBSVGQNC-UHFFFAOYSA-N 1 0 373.522 2.701 20 10 FFCDRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000775403242 1007747933 /nfs/dbraw/zinc/74/79/33/1007747933.db2.gz HVKOFKLCQVCQIU-VGOFRKELSA-N 1 0 367.493 2.567 20 10 FFCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903930 1007805110 /nfs/dbraw/zinc/80/51/10/1007805110.db2.gz XCMIAYPBBPLQIE-HOCLYGCPSA-N 1 0 369.456 2.613 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940262 1007818268 /nfs/dbraw/zinc/81/82/68/1007818268.db2.gz FCBMLSRKQWZQFB-YHYVQYDKSA-N 1 0 367.541 2.648 20 10 FFCDRO Cc1c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nnn1-c1ccccc1 ZINC000817938096 1007818365 /nfs/dbraw/zinc/81/83/65/1007818365.db2.gz DJQIOGLMLRJUEK-YWZLYKJASA-N 1 0 364.497 2.992 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000818271251 1007907707 /nfs/dbraw/zinc/90/77/07/1007907707.db2.gz BTMFYWNEEKESIC-YLJYHZDGSA-N 1 0 359.514 2.935 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[C@](C)(O)C1CC1 ZINC001191269887 1007951754 /nfs/dbraw/zinc/95/17/54/1007951754.db2.gz ZJSDZTPJMZEOPH-WBVHZDCISA-N 1 0 372.303 2.889 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C2)cc1 ZINC000818655037 1007960953 /nfs/dbraw/zinc/96/09/53/1007960953.db2.gz HRBWRPHECOOQQN-BZSNNMDCSA-N 1 0 374.529 2.586 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000114591089 1007969023 /nfs/dbraw/zinc/96/90/23/1007969023.db2.gz MXDIQAQHFFTBRS-GASCZTMLSA-N 1 0 363.502 2.957 20 10 FFCDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000818963845 1007980048 /nfs/dbraw/zinc/98/00/48/1007980048.db2.gz BZZCGXJODCLHOR-IBGZPJMESA-N 1 0 373.478 2.971 20 10 FFCDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819115114 1008048211 /nfs/dbraw/zinc/04/82/11/1008048211.db2.gz CTZRXCCWRLQQSX-BJLQDIEVSA-N 1 0 363.546 2.592 20 10 FFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000819358567 1008107576 /nfs/dbraw/zinc/10/75/76/1008107576.db2.gz LFLCMRZNHDYOGE-IBGZPJMESA-N 1 0 362.420 2.933 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000819381037 1008128193 /nfs/dbraw/zinc/12/81/93/1008128193.db2.gz UPYIBMXXWDHBHX-IEBWSBKVSA-N 1 0 356.466 2.551 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3c4ccccc4CN(C)C3=O)CC2)cc1 ZINC000857873665 1008232659 /nfs/dbraw/zinc/23/26/59/1008232659.db2.gz YZRARPYAUQCPHQ-NRFANRHFSA-N 1 0 365.477 2.967 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000819896691 1008244680 /nfs/dbraw/zinc/24/46/80/1008244680.db2.gz JVESFPZCTQNILN-HNNXBMFYSA-N 1 0 366.421 2.761 20 10 FFCDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000820351978 1008323016 /nfs/dbraw/zinc/32/30/16/1008323016.db2.gz GDBGSZSRBXXQIQ-LSDHHAIUSA-N 1 0 367.440 2.715 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000858488947 1008368354 /nfs/dbraw/zinc/36/83/54/1008368354.db2.gz OBFZDBMBEBZGEO-RDJZCZTQSA-N 1 0 365.485 2.510 20 10 FFCDRO COCC[N@H+](C)CCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000821883659 1008502233 /nfs/dbraw/zinc/50/22/33/1008502233.db2.gz IENUKSSAZOMESI-UHFFFAOYSA-N 1 0 357.498 2.721 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1F ZINC000886325959 1008639022 /nfs/dbraw/zinc/63/90/22/1008639022.db2.gz XNNSSBRVWCCYGI-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000886519206 1008712665 /nfs/dbraw/zinc/71/26/65/1008712665.db2.gz QLCMWBZRHIDVPK-INIZCTEOSA-N 1 0 354.454 2.677 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000822717550 1008728523 /nfs/dbraw/zinc/72/85/23/1008728523.db2.gz KLSMSNJHTHMZPS-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1c([O-])cccc1F ZINC000886549074 1008733274 /nfs/dbraw/zinc/73/32/74/1008733274.db2.gz BEXMBBHYCZRDRT-AWEZNQCLSA-N 1 0 359.445 2.674 20 10 FFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)ccn1 ZINC000886749177 1008859905 /nfs/dbraw/zinc/85/99/05/1008859905.db2.gz LRHCBUWGDAJJLZ-HNNXBMFYSA-N 1 0 368.481 2.643 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823253982 1008976584 /nfs/dbraw/zinc/97/65/84/1008976584.db2.gz XRFDPIXTVPIYJS-QZTJIDSGSA-N 1 0 374.529 2.553 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823247473 1008994305 /nfs/dbraw/zinc/99/43/05/1008994305.db2.gz GBORCXJALBYISS-IAGOWNOFSA-N 1 0 362.518 2.551 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861583361 1009475049 /nfs/dbraw/zinc/47/50/49/1009475049.db2.gz RZNAZLAOXACYHQ-ZBFHGGJFSA-N 1 0 372.435 2.730 20 10 FFCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000861701281 1009518198 /nfs/dbraw/zinc/51/81/98/1009518198.db2.gz QOQILWPOVLUERY-HNAYVOBHSA-N 1 0 356.470 2.808 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001180080525 1009553630 /nfs/dbraw/zinc/55/36/30/1009553630.db2.gz DGCLBLBWMOZVKS-CQSZACIVSA-N 1 0 361.461 2.878 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3oc(C)nc3C)CC2)cc1 ZINC000862262613 1009771402 /nfs/dbraw/zinc/77/14/02/1009771402.db2.gz CLBLOBXBOODKQE-UHFFFAOYSA-N 1 0 358.486 2.602 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000862352802 1009804668 /nfs/dbraw/zinc/80/46/68/1009804668.db2.gz HQRJRHUFVRASOR-GUYCJALGSA-N 1 0 366.458 2.515 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000862366996 1009809972 /nfs/dbraw/zinc/80/99/72/1009809972.db2.gz RDYBEEICQNTICQ-XJKSGUPXSA-N 1 0 366.458 2.515 20 10 FFCDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3ccc(C)cc3O)c2)n1 ZINC001181526376 1010133716 /nfs/dbraw/zinc/13/37/16/1010133716.db2.gz XMOAGQYWGMJMDR-UHFFFAOYSA-N 1 0 366.421 2.952 20 10 FFCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cc1F ZINC000863334816 1010181991 /nfs/dbraw/zinc/18/19/91/1010181991.db2.gz IUWYDJTXZXYFDX-ACJLOTCBSA-N 1 0 359.397 2.955 20 10 FFCDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863583034 1010262544 /nfs/dbraw/zinc/26/25/44/1010262544.db2.gz KYMZYJNLJLCZGD-UTKZUKDTSA-N 1 0 360.498 2.905 20 10 FFCDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000774066949 1010454793 /nfs/dbraw/zinc/45/47/93/1010454793.db2.gz QWHLSZHQSPYFKH-IBGZPJMESA-N 1 0 369.465 2.670 20 10 FFCDRO CC[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000121089324 1011005662 /nfs/dbraw/zinc/00/56/62/1011005662.db2.gz UTDOPVYUXKCVPG-IBGZPJMESA-N 1 0 353.466 2.782 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC000866526778 1011011688 /nfs/dbraw/zinc/01/16/88/1011011688.db2.gz BXHGZUZZMFXRJS-CQSZACIVSA-N 1 0 364.486 2.858 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1O ZINC000868062382 1011157153 /nfs/dbraw/zinc/15/71/53/1011157153.db2.gz LTMJFTCQFQGWNX-HNNXBMFYSA-N 1 0 354.454 2.812 20 10 FFCDRO C[C@@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1O ZINC000868216463 1011202660 /nfs/dbraw/zinc/20/26/60/1011202660.db2.gz XIVGPFIIFDBTAB-MRXNPFEDSA-N 1 0 371.481 2.936 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1C ZINC000122350536 1011533493 /nfs/dbraw/zinc/53/34/93/1011533493.db2.gz WYOIQQGVKDSMOD-UHFFFAOYSA-N 1 0 366.509 2.796 20 10 FFCDRO CCN1CC[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1=O ZINC001172048880 1011607568 /nfs/dbraw/zinc/60/75/68/1011607568.db2.gz JXJDPTJMEWELNQ-HNNXBMFYSA-N 1 0 371.403 2.718 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@@]12CCC[N@@H+](Cc1ccccc1O)CC2 ZINC001275231836 1012111023 /nfs/dbraw/zinc/11/10/23/1012111023.db2.gz HQGBTXZYUVEQPL-FQEVSTJZSA-N 1 0 355.438 2.785 20 10 FFCDRO Cc1noc(C)c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001275232664 1012114303 /nfs/dbraw/zinc/11/43/03/1012114303.db2.gz VYAGMPZYHUYMEU-FQEVSTJZSA-N 1 0 355.438 2.622 20 10 FFCDRO Cc1noc(C)c1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001275232665 1012115044 /nfs/dbraw/zinc/11/50/44/1012115044.db2.gz VYAGMPZYHUYMEU-HXUWFJFHSA-N 1 0 355.438 2.622 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c(O)c1 ZINC001275241623 1012128437 /nfs/dbraw/zinc/12/84/37/1012128437.db2.gz GORVYONXLCTQGS-GOSISDBHSA-N 1 0 354.397 2.623 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1O ZINC001275244764 1012133487 /nfs/dbraw/zinc/13/34/87/1012133487.db2.gz QQDPDGPHFIFURR-IBGZPJMESA-N 1 0 368.424 2.871 20 10 FFCDRO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275253909 1012152370 /nfs/dbraw/zinc/15/23/70/1012152370.db2.gz ICONTOQUEQNSCX-INIZCTEOSA-N 1 0 366.889 2.800 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C4CCCC4)C3=O)C2)c(O)c1 ZINC001275387778 1012408230 /nfs/dbraw/zinc/40/82/30/1012408230.db2.gz IQNWVWWEHWGMHX-OAQYLSRUSA-N 1 0 356.466 2.984 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c(O)c1 ZINC001275387526 1012408980 /nfs/dbraw/zinc/40/89/80/1012408980.db2.gz FVYPUQDWJYVAIB-CQSZACIVSA-N 1 0 356.388 2.981 20 10 FFCDRO COCCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000303849114 1012469113 /nfs/dbraw/zinc/46/91/13/1012469113.db2.gz FJANDLVBSRGJIX-UHFFFAOYSA-N 1 0 361.461 2.931 20 10 FFCDRO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1ccc(O)cc1O ZINC001275671980 1012822324 /nfs/dbraw/zinc/82/23/24/1012822324.db2.gz MPYCPCHCNFFOKF-INIZCTEOSA-N 1 0 358.360 2.617 20 10 FFCDRO CCN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CC[N@H+](C)C1 ZINC000888583974 1013021568 /nfs/dbraw/zinc/02/15/68/1013021568.db2.gz SKCKEADWKQYEQY-OAHLLOKOSA-N 1 0 364.453 2.954 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)c1O ZINC000827094633 1017101310 /nfs/dbraw/zinc/10/13/10/1017101310.db2.gz SRQCTHQNSWBGSY-FOIQADDNSA-N 1 0 363.454 2.581 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000679881798 1017671024 /nfs/dbraw/zinc/67/10/24/1017671024.db2.gz FHZMMOIRBGTIOS-UHFFFAOYSA-N 1 0 364.409 2.764 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000925328898 1017709286 /nfs/dbraw/zinc/70/92/86/1017709286.db2.gz JDTBIRNBFBKFCH-KRWDZBQOSA-N 1 0 357.454 2.563 20 10 FFCDRO Cc1ccc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC001222211406 1032824155 /nfs/dbraw/zinc/82/41/55/1032824155.db2.gz MWKHUQSRIBRPDT-IBGZPJMESA-N 1 0 358.486 2.799 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)c(Br)c1 ZINC001222252509 1032850770 /nfs/dbraw/zinc/85/07/70/1032850770.db2.gz GBGSHTWQWCRJNM-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1O ZINC000725852615 1020270053 /nfs/dbraw/zinc/27/00/53/1020270053.db2.gz HBGRSXUHVRMIMR-OAHLLOKOSA-N 1 0 356.422 2.695 20 10 FFCDRO COc1ccc2c(c1)OCCN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000802659412 1020300035 /nfs/dbraw/zinc/30/00/35/1020300035.db2.gz NLTGJGKWCDHHLI-UHFFFAOYSA-N 1 0 367.493 2.842 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000726245907 1020442304 /nfs/dbraw/zinc/44/23/04/1020442304.db2.gz RUKWXNORKOYHAG-DLBZAZTESA-N 1 0 362.518 2.614 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000726247393 1020443401 /nfs/dbraw/zinc/44/34/01/1020443401.db2.gz SIJHSSIHFVMKSI-KRWDZBQOSA-N 1 0 374.529 2.615 20 10 FFCDRO CC[N@H+](CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000726711042 1020511707 /nfs/dbraw/zinc/51/17/07/1020511707.db2.gz DSXCQPXFGZICRX-UHFFFAOYSA-N 1 0 362.518 2.694 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CCC[NH2+]C[C@H]1F)C(=O)c1ccccc1C2=O ZINC001217947981 1032914179 /nfs/dbraw/zinc/91/41/79/1032914179.db2.gz LDXFAEIGYVOMNX-WBVHZDCISA-N 1 0 369.392 2.945 20 10 FFCDRO COc1cccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1O ZINC000800900199 1020633781 /nfs/dbraw/zinc/63/37/81/1020633781.db2.gz ABFRJTSMHIJVQT-SFHVURJKSA-N 1 0 354.450 2.724 20 10 FFCDRO O=C1c2cccc(O[C@@H]3C[NH2+]CCC[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217978420 1032928728 /nfs/dbraw/zinc/92/87/28/1032928728.db2.gz AZHYJRWVOFNXRT-XJKSGUPXSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc2c(cc1O)CCCC2 ZINC000903371832 1020810444 /nfs/dbraw/zinc/81/04/44/1020810444.db2.gz FTRFBAQIJGXWSB-HNNXBMFYSA-N 1 0 361.482 2.970 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000749198140 1020869010 /nfs/dbraw/zinc/86/90/10/1020869010.db2.gz CNBQVPNVQFFJCE-ROUUACIJSA-N 1 0 374.529 2.567 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218024813 1032960289 /nfs/dbraw/zinc/96/02/89/1032960289.db2.gz BWTIUXVMLYIJMK-WBMJQRKESA-N 1 0 351.402 2.935 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2F)CC1 ZINC001116440687 1021218012 /nfs/dbraw/zinc/21/80/12/1021218012.db2.gz XRLGDASXQXLQIN-QGZVFWFLSA-N 1 0 357.477 2.680 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(C)(C)C)[C@H](O)C3)cc2F)CC1 ZINC001116502390 1021250208 /nfs/dbraw/zinc/25/02/08/1021250208.db2.gz UVNYUMLBKKFQSY-YLJYHZDGSA-N 1 0 363.521 2.806 20 10 FFCDRO C[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218063066 1032975067 /nfs/dbraw/zinc/97/50/67/1032975067.db2.gz XEUSLNGHFDVKAF-NWDGAFQWSA-N 1 0 366.373 2.890 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218062768 1032975760 /nfs/dbraw/zinc/97/57/60/1032975760.db2.gz WHCHAWQVJOJUHC-YPMHNXCESA-N 1 0 351.402 2.995 20 10 FFCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000381425070 1022021047 /nfs/dbraw/zinc/02/10/47/1022021047.db2.gz BIMSQUKLACSMNQ-HZPDHXFCSA-N 1 0 363.502 2.915 20 10 FFCDRO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]CC2)c1ccc(N2CCOCC2)cc1 ZINC001118130975 1022082307 /nfs/dbraw/zinc/08/23/07/1022082307.db2.gz PGAUSCCJYPIYKT-MRXNPFEDSA-N 1 0 365.477 2.660 20 10 FFCDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC001118383961 1022205597 /nfs/dbraw/zinc/20/55/97/1022205597.db2.gz LQBVHCMALYXPQM-SFHVURJKSA-N 1 0 372.534 2.951 20 10 FFCDRO c1cc(CN2CCO[C@@H](C[NH2+]Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001118805356 1022414854 /nfs/dbraw/zinc/41/48/54/1022414854.db2.gz BNCPEQGCXLZGOJ-QFIPXVFZSA-N 1 0 366.509 2.672 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CCC(C)C)C3CC3)CC2)cc1 ZINC000045751732 1022425477 /nfs/dbraw/zinc/42/54/77/1022425477.db2.gz PWSQIYDCJUGWNB-UHFFFAOYSA-N 1 0 359.514 2.854 20 10 FFCDRO Cc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218253441 1033069869 /nfs/dbraw/zinc/06/98/69/1033069869.db2.gz XIDTUBSDZLJGGJ-IOASZLSFSA-N 1 0 363.413 2.995 20 10 FFCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000779020867 1022659948 /nfs/dbraw/zinc/65/99/48/1022659948.db2.gz UVIBZPDESIFZSD-LRYGQEGESA-N 1 0 359.514 2.824 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)CCc3cccs3)CC2)cc1 ZINC000075966021 1023196057 /nfs/dbraw/zinc/19/60/57/1023196057.db2.gz JBTJDAGYRIEUDN-UHFFFAOYSA-N 1 0 373.522 2.580 20 10 FFCDRO O=C1OCC[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000753548351 1023351244 /nfs/dbraw/zinc/35/12/44/1023351244.db2.gz HTLOYJMQDKVEPA-SFHVURJKSA-N 1 0 368.433 2.998 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753569338 1023353692 /nfs/dbraw/zinc/35/36/92/1023353692.db2.gz BQLLZZUJRQFHGD-RTBURBONSA-N 1 0 354.450 2.976 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000755121954 1023567217 /nfs/dbraw/zinc/56/72/17/1023567217.db2.gz YEIOKZOUIICTHF-ZMPRRUGASA-N 1 0 367.493 2.912 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)c2c1c(F)ccc2O ZINC000756561696 1023729597 /nfs/dbraw/zinc/72/95/97/1023729597.db2.gz HCGOTFIXGBXMRC-CJNGLKHVSA-N 1 0 363.477 2.612 20 10 FFCDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C[N@@H+]2C1 ZINC001123484379 1023824660 /nfs/dbraw/zinc/82/46/60/1023824660.db2.gz SWTRGCZMLAWKAZ-YFVAEKQCSA-N 1 0 371.525 2.602 20 10 FFCDRO O=C1c2cccc(O[C@@H]3C[NH2+]CCC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218456115 1033164695 /nfs/dbraw/zinc/16/46/95/1033164695.db2.gz ZOESATBKBVBTSE-CQSZACIVSA-N 1 0 359.328 2.544 20 10 FFCDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000191577244 1023863238 /nfs/dbraw/zinc/86/32/38/1023863238.db2.gz OVZINNGNXYAAKG-JOCHJYFZSA-N 1 0 368.477 2.744 20 10 FFCDRO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2F)O1 ZINC001137835336 1033172918 /nfs/dbraw/zinc/17/29/18/1033172918.db2.gz DNYPIZVFWFRXSE-BHIYHBOVSA-N 1 0 374.412 2.563 20 10 FFCDRO O=C1[C@H]2[C@H](CCCN2Cc2c(O)cccc2F)C(=O)N1Cc1ccccc1 ZINC001137838826 1033181338 /nfs/dbraw/zinc/18/13/38/1033181338.db2.gz LFFXEKKPQQNLCU-HNAYVOBHSA-N 1 0 368.408 2.681 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000829500804 1033188116 /nfs/dbraw/zinc/18/81/16/1033188116.db2.gz RGPPMFYUMYEBSL-LJQANCHMSA-N 1 0 352.482 2.596 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)ccc1N(C)C ZINC001139670108 1024360211 /nfs/dbraw/zinc/36/02/11/1024360211.db2.gz HZBUVJKKNRKLNE-CEWLAPEOSA-N 1 0 371.525 2.663 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)c1 ZINC001141139797 1025506941 /nfs/dbraw/zinc/50/69/41/1025506941.db2.gz BPXWSMCYJVKZAZ-UHFFFAOYSA-N 1 0 353.466 2.846 20 10 FFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)CC[C@H]21 ZINC001141140664 1025507245 /nfs/dbraw/zinc/50/72/45/1025507245.db2.gz ILOQXLOKADJMHX-QZTJIDSGSA-N 1 0 357.498 2.594 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC001141158950 1025541402 /nfs/dbraw/zinc/54/14/02/1025541402.db2.gz SNLBKPMLDRXNPP-UHFFFAOYSA-N 1 0 368.359 2.619 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090178634 1026051482 /nfs/dbraw/zinc/05/14/82/1026051482.db2.gz JAIURSIGHWBKDZ-ZBFHGGJFSA-N 1 0 363.477 2.712 20 10 FFCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839166248 1026609598 /nfs/dbraw/zinc/60/95/98/1026609598.db2.gz XPHNFBPCUMSVJM-UHFFFAOYSA-N 1 0 373.541 2.648 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000839541817 1026724463 /nfs/dbraw/zinc/72/44/63/1026724463.db2.gz ZUHUYRIOIKCODT-UGKGYDQZSA-N 1 0 367.493 2.736 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCc4c(cnn4C)C3)cc2)CC1 ZINC000839625439 1026762062 /nfs/dbraw/zinc/76/20/62/1026762062.db2.gz QYNFJAQVHQXIGJ-UHFFFAOYSA-N 1 0 354.498 2.984 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2csc(NC3CC3)n2)[NH+](C)C)cc1 ZINC001158717370 1027105337 /nfs/dbraw/zinc/10/53/37/1027105337.db2.gz NTZBWTRCXCVFKY-KRWDZBQOSA-N 1 0 373.526 2.816 20 10 FFCDRO CN(C)c1cncc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160616374 1027778033 /nfs/dbraw/zinc/77/80/33/1027778033.db2.gz IPLBSAVAWOVTEG-WOJBJXKFSA-N 1 0 365.437 2.807 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC001160729762 1027835770 /nfs/dbraw/zinc/83/57/70/1027835770.db2.gz LXISJLUTSDHMEQ-UHFFFAOYSA-N 1 0 362.543 2.769 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000093837877 1027848429 /nfs/dbraw/zinc/84/84/29/1027848429.db2.gz JQBYOLNFVLSKOL-UHFFFAOYSA-N 1 0 354.406 2.519 20 10 FFCDRO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000780041383 1028224751 /nfs/dbraw/zinc/22/47/51/1028224751.db2.gz RYAWHMSEFOHJHM-ROUUACIJSA-N 1 0 359.445 2.929 20 10 FFCDRO C[C@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCOC1 ZINC000781166245 1029035589 /nfs/dbraw/zinc/03/55/89/1029035589.db2.gz RDNLPAHLOUKQAH-QFIPXVFZSA-N 1 0 371.525 2.652 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@]12CCCO2 ZINC000781420852 1029203386 /nfs/dbraw/zinc/20/33/86/1029203386.db2.gz MNEABDSDLNOFEA-PWRODBHTSA-N 1 0 360.498 2.980 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cnc(C)c(C)n3)CC2)cc1 ZINC001164333864 1029249398 /nfs/dbraw/zinc/24/93/98/1029249398.db2.gz GVQGJIQZAGKHOV-UHFFFAOYSA-N 1 0 355.486 2.726 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(N4CCCCC4)ncn3)cc2)CC1 ZINC001156656963 1029290381 /nfs/dbraw/zinc/29/03/81/1029290381.db2.gz FKOIZYUETSJOTN-UHFFFAOYSA-N 1 0 366.513 2.831 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc4ccc(Cl)nc4[nH]3)cc2)CC1 ZINC001156656918 1029290556 /nfs/dbraw/zinc/29/05/56/1029290556.db2.gz BWTUASLEKLCHDD-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840928805 1029930123 /nfs/dbraw/zinc/93/01/23/1029930123.db2.gz AROPNUYDPBMFEP-UHFFFAOYSA-N 1 0 355.482 2.866 20 10 FFCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000783226246 1029980840 /nfs/dbraw/zinc/98/08/40/1029980840.db2.gz YZCOKFWEHVIKDX-YJBOKZPZSA-N 1 0 355.461 2.830 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000783537257 1030143959 /nfs/dbraw/zinc/14/39/59/1030143959.db2.gz WCZNYCNSYHVCAG-OALUTQOASA-N 1 0 369.513 2.718 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1F ZINC000841326917 1030199899 /nfs/dbraw/zinc/19/98/99/1030199899.db2.gz ULLIDQQVQXSIMS-UHFFFAOYSA-N 1 0 358.417 2.695 20 10 FFCDRO Cc1cc(C)c(CNC(=O)C2CC[NH+](Cc3ccncc3)CC2)c(O)c1 ZINC001142350067 1030336288 /nfs/dbraw/zinc/33/62/88/1030336288.db2.gz WXARQFGMDRYAPZ-UHFFFAOYSA-N 1 0 353.466 2.932 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC000841760437 1030447899 /nfs/dbraw/zinc/44/78/99/1030447899.db2.gz VONMUNVYGKJLCA-WOJBJXKFSA-N 1 0 370.541 2.990 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841793489 1030469874 /nfs/dbraw/zinc/46/98/74/1030469874.db2.gz LKTSKERGHLTLRI-HXUWFJFHSA-N 1 0 356.514 2.959 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000841798176 1030471961 /nfs/dbraw/zinc/47/19/61/1030471961.db2.gz GIZCGGKHPJMSJF-LZLYRXPVSA-N 1 0 362.493 2.941 20 10 FFCDRO COc1cc(NC(=O)NCc2ccccc2O)ccc1OCC[NH+](C)C ZINC000841823346 1030487626 /nfs/dbraw/zinc/48/76/26/1030487626.db2.gz YBGVOTUELVBIMO-UHFFFAOYSA-N 1 0 359.426 2.663 20 10 FFCDRO COC[C@H]1CN(Cc2cccc(OC)c2O)Cc2nn(CC3CC3)cc21 ZINC001203592637 1030776157 /nfs/dbraw/zinc/77/61/57/1030776157.db2.gz SYGPLXOIACKTEN-MRXNPFEDSA-N 1 0 357.454 2.753 20 10 FFCDRO COc1cccc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c1O ZINC001203596894 1030778672 /nfs/dbraw/zinc/77/86/72/1030778672.db2.gz SMQIAFWNEYYNGY-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c1O ZINC001203609151 1030783178 /nfs/dbraw/zinc/78/31/78/1030783178.db2.gz BOPLTEWHTJPWFF-LMMKCTJWSA-N 1 0 374.481 2.535 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001203608484 1030784067 /nfs/dbraw/zinc/78/40/67/1030784067.db2.gz RAGJIUKVDCLHFX-AVRDEDQJSA-N 1 0 366.461 2.897 20 10 FFCDRO COc1ccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001203621951 1030789620 /nfs/dbraw/zinc/78/96/20/1030789620.db2.gz LJMQJMOICHQCBZ-YSIASYRMSA-N 1 0 356.422 2.607 20 10 FFCDRO COc1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c(O)c1 ZINC001203623983 1030793153 /nfs/dbraw/zinc/79/31/53/1030793153.db2.gz ZZLNCKMEPSKCDF-UHFFFAOYSA-N 1 0 362.433 2.854 20 10 FFCDRO Cc1cc(N2CCN(Cc3cc(Br)ccc3O)CC2)ncn1 ZINC001203650412 1030804346 /nfs/dbraw/zinc/80/43/46/1030804346.db2.gz SRUIDSPFSGKFLM-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c1 ZINC001203671108 1030819168 /nfs/dbraw/zinc/81/91/68/1030819168.db2.gz JMVQICPGXMUEDM-LPHOPBHVSA-N 1 0 370.424 2.630 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c1 ZINC001203675131 1030821469 /nfs/dbraw/zinc/82/14/69/1030821469.db2.gz OEWIAWRCSWUMNB-IBGZPJMESA-N 1 0 352.434 2.854 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)c1 ZINC001203680127 1030823968 /nfs/dbraw/zinc/82/39/68/1030823968.db2.gz GDAOQLLVEXQTII-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1 ZINC001203684401 1030826474 /nfs/dbraw/zinc/82/64/74/1030826474.db2.gz URFGSANVOLZASS-SFHVURJKSA-N 1 0 356.422 2.543 20 10 FFCDRO O=C1N[C@H]2C[N@H+](Cc3c4c(ccc3O)oc3c4CCCC3)CC[C@@H]2CO1 ZINC000842644399 1030871151 /nfs/dbraw/zinc/87/11/51/1030871151.db2.gz WZQWITPKBMMPIP-DOMZBBRYSA-N 1 0 356.422 2.948 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)Cc1ccc(OC)c(F)c1 ZINC000842718854 1030921931 /nfs/dbraw/zinc/92/19/31/1030921931.db2.gz XUPJGYNHZINXJB-KRWDZBQOSA-N 1 0 374.456 2.851 20 10 FFCDRO CC[N@@H+](Cc1ccc(O)c(O)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001203883639 1030955082 /nfs/dbraw/zinc/95/50/82/1030955082.db2.gz LDGGXMWOPCXGMN-LJQANCHMSA-N 1 0 356.466 2.821 20 10 FFCDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931611 1030990039 /nfs/dbraw/zinc/99/00/39/1030990039.db2.gz KCPBLWKKBSFOFZ-IRLDBZIGSA-N 1 0 357.542 2.933 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)cc1 ZINC001203931175 1030991248 /nfs/dbraw/zinc/99/12/48/1030991248.db2.gz NZFKQECWNNHZJN-WIYYLYMNSA-N 1 0 367.468 2.982 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)cc1 ZINC001203934168 1030993771 /nfs/dbraw/zinc/99/37/71/1030993771.db2.gz WEHDYJIKHZZWPW-DFQSSKMNSA-N 1 0 368.481 2.601 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cc1 ZINC001203934504 1030995773 /nfs/dbraw/zinc/99/57/73/1030995773.db2.gz ZYLLQVXTAGZKOL-IFMALSPDSA-N 1 0 367.493 2.813 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001204273462 1031198150 /nfs/dbraw/zinc/19/81/50/1031198150.db2.gz BXGARMXDHSCKEK-UCLAIMLFSA-N 1 0 356.422 2.551 20 10 FFCDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(O)cc3O)CC[C@@H]21 ZINC001204273501 1031198614 /nfs/dbraw/zinc/19/86/14/1031198614.db2.gz COVLSRSMCKDPQO-HBFSDRIKSA-N 1 0 370.497 2.668 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c(O)c1 ZINC001204274572 1031201850 /nfs/dbraw/zinc/20/18/50/1031201850.db2.gz PGSNPXWBLSHGTP-LJQANCHMSA-N 1 0 370.449 2.833 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)[C@H]1c1ccccc1 ZINC001204274781 1031202754 /nfs/dbraw/zinc/20/27/54/1031202754.db2.gz SRHROQOYSHNDIE-LJQANCHMSA-N 1 0 352.434 2.893 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N3CCCC3)cc2)O1 ZINC001204323586 1031228510 /nfs/dbraw/zinc/22/85/10/1031228510.db2.gz UAHVWKXRIVMTCL-NJYVYQBISA-N 1 0 369.509 2.545 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@H]21 ZINC001143104051 1031236646 /nfs/dbraw/zinc/23/66/46/1031236646.db2.gz BAUFYURUJPKGMX-MOPGFXCFSA-N 1 0 360.498 2.901 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@@H]21 ZINC001143104053 1031237727 /nfs/dbraw/zinc/23/77/27/1031237727.db2.gz BAUFYURUJPKGMX-OALUTQOASA-N 1 0 360.498 2.901 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347792 1031242368 /nfs/dbraw/zinc/24/23/68/1031242368.db2.gz CBLBIBXCLJODID-AUUYWEPGSA-N 1 0 351.443 2.514 20 10 FFCDRO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349584 1031342940 /nfs/dbraw/zinc/34/29/40/1031342940.db2.gz FEWAICWNQNJJII-QGZVFWFLSA-N 1 0 351.494 2.954 20 10 FFCDRO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349509 1031343317 /nfs/dbraw/zinc/34/33/17/1031343317.db2.gz BVDBUPGXHWPXEF-OAHLLOKOSA-N 1 0 355.457 2.784 20 10 FFCDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350527 1031343386 /nfs/dbraw/zinc/34/33/86/1031343386.db2.gz UGBSQVLMGNIXSR-ZDUSSCGKSA-N 1 0 354.410 2.833 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349627 1031343471 /nfs/dbraw/zinc/34/34/71/1031343471.db2.gz GSAKXGFZEZMLGP-LBPRGKRZSA-N 1 0 365.437 2.507 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCOC1C[NH2+]C1 ZINC000843486456 1031425372 /nfs/dbraw/zinc/42/53/72/1031425372.db2.gz TXVDNBRARQXUER-INIZCTEOSA-N 1 0 354.450 2.861 20 10 FFCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000798491637 1031433205 /nfs/dbraw/zinc/43/32/05/1031433205.db2.gz DVSHPOJTLMGTEM-GOSISDBHSA-N 1 0 369.513 2.764 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)C1 ZINC000798926230 1031585094 /nfs/dbraw/zinc/58/50/94/1031585094.db2.gz ISHBSDODYFLMTG-ICSRJNTNSA-N 1 0 364.493 2.951 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000798927370 1031586407 /nfs/dbraw/zinc/58/64/07/1031586407.db2.gz RUQUSLLDSDOQKQ-NRFANRHFSA-N 1 0 366.509 2.879 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000799199618 1031697128 /nfs/dbraw/zinc/69/71/28/1031697128.db2.gz ZRFWQOSYBVQJRA-LJQANCHMSA-N 1 0 367.417 2.526 20 10 FFCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000831123461 1033955731 /nfs/dbraw/zinc/95/57/31/1033955731.db2.gz SBUYRZANZMXTOF-OLZOCXBDSA-N 1 0 370.444 2.682 20 10 FFCDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000831308040 1034028857 /nfs/dbraw/zinc/02/88/57/1034028857.db2.gz HOUHVNFRIMMCHM-MOPGFXCFSA-N 1 0 359.514 2.648 20 10 FFCDRO CC(C)(C)N1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1=O ZINC001138340673 1034169879 /nfs/dbraw/zinc/16/98/79/1034169879.db2.gz YVPSDJPPRVTHQJ-UHFFFAOYSA-N 1 0 357.498 2.534 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339434 1034171008 /nfs/dbraw/zinc/17/10/08/1034171008.db2.gz FURCXSCJSZDFJI-MRXNPFEDSA-N 1 0 358.482 2.866 20 10 FFCDRO CN1C(=O)CCC12CC[NH+](Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138342061 1034172224 /nfs/dbraw/zinc/17/22/24/1034172224.db2.gz XMGFQUYVQLOEQN-UHFFFAOYSA-N 1 0 369.509 2.678 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(OCC(=O)N4CCCC4)CC3)ccc21 ZINC001138358989 1034195200 /nfs/dbraw/zinc/19/52/00/1034195200.db2.gz GMBQWWATUKBLPN-UHFFFAOYSA-N 1 0 371.525 2.672 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)CC3(C[NH3+])CCCCC3)C2)cc1 ZINC000831748969 1034256023 /nfs/dbraw/zinc/25/60/23/1034256023.db2.gz UBTRUKRBYFQYGC-QGZVFWFLSA-N 1 0 359.514 2.937 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000831753145 1034257285 /nfs/dbraw/zinc/25/72/85/1034257285.db2.gz JKJPWRCJUBESJK-IERDGZPVSA-N 1 0 365.477 2.525 20 10 FFCDRO Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499251 1034340093 /nfs/dbraw/zinc/34/00/93/1034340093.db2.gz ACPYCNWYBBYREV-HXUWFJFHSA-N 1 0 353.466 2.880 20 10 FFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499261 1034340735 /nfs/dbraw/zinc/34/07/35/1034340735.db2.gz APHRCPMJOWCRBB-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO c1ccc2c(c1)CCN1CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC001138499216 1034341000 /nfs/dbraw/zinc/34/10/00/1034341000.db2.gz DTXSKPIKFHKZHA-HSZRJFAPSA-N 1 0 363.505 2.938 20 10 FFCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001138499884 1034342833 /nfs/dbraw/zinc/34/28/33/1034342833.db2.gz NNYILJFKHGRYCB-UHFFFAOYSA-N 1 0 366.461 2.909 20 10 FFCDRO COCCCOc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265858 1034686313 /nfs/dbraw/zinc/68/63/13/1034686313.db2.gz AHOVZUIUFOFUBG-FQEVSTJZSA-N 1 0 371.481 2.598 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000832267603 1034690512 /nfs/dbraw/zinc/69/05/12/1034690512.db2.gz XHSWFACSFGPECU-NRFANRHFSA-N 1 0 367.493 2.826 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000832273561 1034694408 /nfs/dbraw/zinc/69/44/08/1034694408.db2.gz OTMPAECTTGMCST-MOPGFXCFSA-N 1 0 374.916 2.825 20 10 FFCDRO COc1ccc2c(CC(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)coc2c1 ZINC000832283824 1034701007 /nfs/dbraw/zinc/70/10/07/1034701007.db2.gz CGPOPYZRCMJORB-IBGZPJMESA-N 1 0 367.449 2.866 20 10 FFCDRO CC(C)c1noc2ncc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc21 ZINC000832292256 1034704388 /nfs/dbraw/zinc/70/43/88/1034704388.db2.gz DNZSBGXMRMTJMC-QGZVFWFLSA-N 1 0 367.453 2.842 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(CN3CCOCC3)c1)CCC2 ZINC001139060492 1034914067 /nfs/dbraw/zinc/91/40/67/1034914067.db2.gz OXCCQYRRUIIEIX-UHFFFAOYSA-N 1 0 368.477 2.878 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4cnc(C5CC5)nc4C3)cc2)CC1 ZINC001139411227 1035095852 /nfs/dbraw/zinc/09/58/52/1035095852.db2.gz AMCWWKSTKNGEBH-UHFFFAOYSA-N 1 0 363.509 2.664 20 10 FFCDRO CCOc1ccncc1CN1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001139631876 1035185111 /nfs/dbraw/zinc/18/51/11/1035185111.db2.gz GYOHUIWFTOISON-UHFFFAOYSA-N 1 0 371.481 2.828 20 10 FFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4ccc(N(C)C)c(C)c4)C[C@H]3O2)n1 ZINC001139671946 1035194306 /nfs/dbraw/zinc/19/43/06/1035194306.db2.gz PYHXUCBJFFCGGG-YQVWRLOYSA-N 1 0 356.470 2.584 20 10 FFCDRO O=C1N(CC(F)(F)F)CCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140060068 1035325999 /nfs/dbraw/zinc/32/59/99/1035325999.db2.gz JTCAKJVULUJXMH-UHFFFAOYSA-N 1 0 360.351 2.908 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC001140058086 1035326387 /nfs/dbraw/zinc/32/63/87/1035326387.db2.gz SKVGRRBZMKHNIN-RDJZCZTQSA-N 1 0 366.433 2.742 20 10 FFCDRO Cc1ccnc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC001140102173 1035341641 /nfs/dbraw/zinc/34/16/41/1035341641.db2.gz KFQDWHNQKIAESM-LBPRGKRZSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c1O ZINC001140181049 1035370695 /nfs/dbraw/zinc/37/06/95/1035370695.db2.gz ORXZUFULCNPODM-UTKZUKDTSA-N 1 0 360.498 2.620 20 10 FFCDRO OCc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282539 1035417594 /nfs/dbraw/zinc/41/75/94/1035417594.db2.gz CXNXHXCMQUNMLC-UHFFFAOYSA-N 1 0 352.478 2.698 20 10 FFCDRO CCOCc1noc2c1CN(Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140285966 1035418986 /nfs/dbraw/zinc/41/89/86/1035418986.db2.gz HBOHAMUWOIODSX-UHFFFAOYSA-N 1 0 371.481 2.731 20 10 FFCDRO CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140306584 1035428351 /nfs/dbraw/zinc/42/83/51/1035428351.db2.gz USNGDZJAJWOMKE-PXNSSMCTSA-N 1 0 361.530 2.848 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)C1CCOCC1 ZINC001140342616 1035445589 /nfs/dbraw/zinc/44/55/89/1035445589.db2.gz QULDQIOPQPBOBZ-CQSZACIVSA-N 1 0 352.862 2.553 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001140465976 1035485539 /nfs/dbraw/zinc/48/55/39/1035485539.db2.gz XLIFOHUIYXMFAF-CRAIPNDOSA-N 1 0 374.872 2.563 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccns4)C3)C2=O)cc1 ZINC001277628571 1035496417 /nfs/dbraw/zinc/49/64/17/1035496417.db2.gz QOMUHRISKABJKA-HXUWFJFHSA-N 1 0 370.522 2.834 20 10 FFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202961 1035498758 /nfs/dbraw/zinc/49/87/58/1035498758.db2.gz JWWHANKUWITIAA-IBGZPJMESA-N 1 0 366.889 2.952 20 10 FFCDRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232257805 1035529607 /nfs/dbraw/zinc/52/96/07/1035529607.db2.gz JGTJFPPXRITJFU-UHFFFAOYSA-N 1 0 363.845 2.929 20 10 FFCDRO COc1cc(O[C@H](C)C[NH+](C)C)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227391763 1035532654 /nfs/dbraw/zinc/53/26/54/1035532654.db2.gz AVAKQDFFKFVLLF-GFCCVEGCSA-N 1 0 369.417 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ZINC001140619411 1035740734 /nfs/dbraw/zinc/74/07/34/1035740734.db2.gz CJUKWQVJIXHLRH-ILZDJORESA-N 1 0 358.482 2.739 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c1 ZINC001140620188 1035745471 /nfs/dbraw/zinc/74/54/71/1035745471.db2.gz FSZCYKHWOQMOSS-SZVBFZGTSA-N 1 0 355.438 2.549 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c1 ZINC001140620100 1035745527 /nfs/dbraw/zinc/74/55/27/1035745527.db2.gz CIFHLDJCQRWTGQ-GHTZIAJQSA-N 1 0 368.481 2.751 20 10 FFCDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)no1 ZINC001140660244 1035810909 /nfs/dbraw/zinc/81/09/09/1035810909.db2.gz LLBYZUYLORQMER-INIZCTEOSA-N 1 0 360.433 2.733 20 10 FFCDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)no1 ZINC001140660245 1035811773 /nfs/dbraw/zinc/81/17/73/1035811773.db2.gz LLBYZUYLORQMER-MRXNPFEDSA-N 1 0 360.433 2.733 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4ncn(C)c4c3)CC2)c(OC)c1 ZINC001140741874 1036030774 /nfs/dbraw/zinc/03/07/74/1036030774.db2.gz BDRSKWPFVJYWPN-UHFFFAOYSA-N 1 0 366.465 2.913 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c1O ZINC001140747876 1036044510 /nfs/dbraw/zinc/04/45/10/1036044510.db2.gz NQVIRPUHKZFCBN-UHFFFAOYSA-N 1 0 356.422 2.549 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001232841624 1036098123 /nfs/dbraw/zinc/09/81/23/1036098123.db2.gz MVZNZNUAGZQCTR-IBGZPJMESA-N 1 0 369.465 2.601 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001232841227 1036098532 /nfs/dbraw/zinc/09/85/32/1036098532.db2.gz YUCIETSHMJBHFD-OAQYLSRUSA-N 1 0 369.509 2.791 20 10 FFCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233011668 1036244693 /nfs/dbraw/zinc/24/46/93/1036244693.db2.gz AYZLYEXYWHKUJS-ZDUSSCGKSA-N 1 0 352.431 2.635 20 10 FFCDRO Oc1cc(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(O)c1O ZINC001233011694 1036246971 /nfs/dbraw/zinc/24/69/71/1036246971.db2.gz BNMUVRYQZRIBPP-MSOLQXFVSA-N 1 0 354.450 2.900 20 10 FFCDRO Oc1cc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(O)c1O ZINC001233016549 1036256130 /nfs/dbraw/zinc/25/61/30/1036256130.db2.gz HGYFAXMBYATYPN-UHFFFAOYSA-N 1 0 354.450 2.826 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(n3cnnc3)CC2)cc1Br ZINC001233140361 1036389133 /nfs/dbraw/zinc/38/91/33/1036389133.db2.gz GIVPANJYPVMUPY-UHFFFAOYSA-N 1 0 367.247 2.592 20 10 FFCDRO C[C@H]1C(=O)N(C)CC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233195390 1036433670 /nfs/dbraw/zinc/43/36/70/1036433670.db2.gz HAXLEOOTOAFOJA-NSHDSACASA-N 1 0 363.255 2.970 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c2ccccc2n1C ZINC001233272557 1036479944 /nfs/dbraw/zinc/47/99/44/1036479944.db2.gz POZCXSZSFIPJRK-OAHLLOKOSA-N 1 0 371.481 2.655 20 10 FFCDRO CCOC(=O)c1ccnc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001233326251 1036532466 /nfs/dbraw/zinc/53/24/66/1036532466.db2.gz VFDVBKYRFGUVIY-UHFFFAOYSA-N 1 0 369.465 2.727 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333055 1036537056 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ONXMAKJYNHGRCN-JLYLLQBASA-N 1 0 372.513 2.588 20 10 FFCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233746107 1036741055 /nfs/dbraw/zinc/74/10/55/1036741055.db2.gz UQZIRDAIBCUZJE-ZDUSSCGKSA-N 1 0 372.387 2.981 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(OC)c1 ZINC001141032905 1036778130 /nfs/dbraw/zinc/77/81/30/1036778130.db2.gz SAUQQWYLROPSCJ-AWEZNQCLSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c(OC)c1 ZINC001141033066 1036780147 /nfs/dbraw/zinc/78/01/47/1036780147.db2.gz YIOYJENANHHWEZ-CQSZACIVSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCN(c3ccccc3OC)CC2)c(OC)c1 ZINC001141032131 1036780330 /nfs/dbraw/zinc/78/03/30/1036780330.db2.gz UGAPOQFKRKMHRS-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)C1=O ZINC001277814209 1036797509 /nfs/dbraw/zinc/79/75/09/1036797509.db2.gz YHWWQOQNOWWTPM-JLTOFOAXSA-N 1 0 362.470 2.775 20 10 FFCDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1Cc2cccc(O)c2C1 ZINC001229652655 1036803398 /nfs/dbraw/zinc/80/33/98/1036803398.db2.gz SUKLSLJCDZGUNR-UHFFFAOYSA-N 1 0 373.497 2.700 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)CC[C@H]21 ZINC001141078755 1036928865 /nfs/dbraw/zinc/92/88/65/1036928865.db2.gz HFKPYMCALGPZQM-VQTJNVASSA-N 1 0 353.510 2.828 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c1O ZINC001277439632 1037034118 /nfs/dbraw/zinc/03/41/18/1037034118.db2.gz OVMQDNKUJBPGSU-LJQANCHMSA-N 1 0 364.873 2.710 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(C[C@H]4CCCO4)CC3)c2c1 ZINC001234552575 1037082290 /nfs/dbraw/zinc/08/22/90/1037082290.db2.gz ADGYGVDWFWPHOG-GOSISDBHSA-N 1 0 356.466 2.851 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC(=O)N(C)C4)CC3)c2c1 ZINC001234570364 1037092994 /nfs/dbraw/zinc/09/29/94/1037092994.db2.gz YXINZFGSJHIDAH-UHFFFAOYSA-N 1 0 354.450 2.998 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4[C@H](CCC(=O)N4C)C3)c2c1 ZINC001234577491 1037096150 /nfs/dbraw/zinc/09/61/50/1037096150.db2.gz FFTCIABWFZTKMX-BEFAXECRSA-N 1 0 354.450 2.997 20 10 FFCDRO COC[C@@H]1c2nnn(C)c2CCN1Cc1cccc(-c2ccccc2)c1O ZINC001234987750 1037280566 /nfs/dbraw/zinc/28/05/66/1037280566.db2.gz JTWDUSAAULGBRR-LJQANCHMSA-N 1 0 364.449 2.934 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235119993 1037370109 /nfs/dbraw/zinc/37/01/09/1037370109.db2.gz RZSKYVFHXPJDCN-JOCHJYFZSA-N 1 0 368.477 2.926 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1C(F)(F)F ZINC001207433455 1037437482 /nfs/dbraw/zinc/43/74/82/1037437482.db2.gz KENHOJNJQQFWLS-CHWSQXEVSA-N 1 0 361.360 2.883 20 10 FFCDRO CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3O)C2)C1=O ZINC001277942637 1037526037 /nfs/dbraw/zinc/52/60/37/1037526037.db2.gz DJOHRPSDACPVKY-OAQYLSRUSA-N 1 0 357.498 2.849 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)n1 ZINC001235678630 1037676604 /nfs/dbraw/zinc/67/66/04/1037676604.db2.gz JTSZLWOBDSTJSX-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO CC(C)(C)c1ccc(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c(O)c1 ZINC001235678746 1037676850 /nfs/dbraw/zinc/67/68/50/1037676850.db2.gz MKNJYDWJYRJNLW-UHFFFAOYSA-N 1 0 373.541 2.851 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(Br)ccc(OC)c2O)CC12CC2 ZINC001231555925 1037679228 /nfs/dbraw/zinc/67/92/28/1037679228.db2.gz UPYVXKMTHAIEME-LLVKDONJSA-N 1 0 370.243 2.548 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001231593502 1037714988 /nfs/dbraw/zinc/71/49/88/1037714988.db2.gz QUAIJAOSPKXLCI-WIYYLYMNSA-N 1 0 351.450 2.624 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)c1O ZINC001231593706 1037715266 /nfs/dbraw/zinc/71/52/66/1037715266.db2.gz ZBRYZNVILIFOMY-UZLBHIALSA-N 1 0 358.413 2.762 20 10 FFCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001235775923 1037738092 /nfs/dbraw/zinc/73/80/92/1037738092.db2.gz MTCGDJWSJCSQRH-OLZOCXBDSA-N 1 0 354.878 2.665 20 10 FFCDRO COc1cc(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c(O)cc1O ZINC001231634434 1037756609 /nfs/dbraw/zinc/75/66/09/1037756609.db2.gz IUAMOVAUNJWKFZ-RTBURBONSA-N 1 0 368.477 2.979 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)c(O)cc1O ZINC001231636810 1037759536 /nfs/dbraw/zinc/75/95/36/1037759536.db2.gz AEOHWRXURZLFIH-GXTWGEPZSA-N 1 0 366.458 2.984 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C2COC2)C3)c(O)c1 ZINC001277976645 1037825878 /nfs/dbraw/zinc/82/58/78/1037825878.db2.gz RVUVSOFFLWLEPT-NRFANRHFSA-N 1 0 358.482 2.871 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(O)c1 ZINC001231844403 1037942930 /nfs/dbraw/zinc/94/29/30/1037942930.db2.gz HXZWKQLZEDFLKU-RTBURBONSA-N 1 0 354.498 2.696 20 10 FFCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)ccn1 ZINC001231854387 1037951080 /nfs/dbraw/zinc/95/10/80/1037951080.db2.gz CVAIPTYHVVWADG-SFHVURJKSA-N 1 0 357.454 2.818 20 10 FFCDRO C[NH+](C)CCCn1cc(-c2ccn(Cc3ccc(F)cc3)c(=O)c2)cn1 ZINC001236158344 1037955502 /nfs/dbraw/zinc/95/55/02/1037955502.db2.gz WBXHCPYPBUIXMQ-UHFFFAOYSA-N 1 0 354.429 2.851 20 10 FFCDRO Oc1ccc(-c2ccc(F)cc2)cc1CN1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001236167426 1037963184 /nfs/dbraw/zinc/96/31/84/1037963184.db2.gz QWIYBTGMIXYHDT-FQEVSTJZSA-N 1 0 356.441 2.887 20 10 FFCDRO COc1cc(Br)cc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c1O ZINC001236237839 1037997996 /nfs/dbraw/zinc/99/79/96/1037997996.db2.gz XAIALEPLUQRBSB-AWEZNQCLSA-N 1 0 355.276 2.880 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231909812 1038004387 /nfs/dbraw/zinc/00/43/87/1038004387.db2.gz QCCGGTCUHNXZJD-CHWSQXEVSA-N 1 0 356.850 2.506 20 10 FFCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001255557211 1038018500 /nfs/dbraw/zinc/01/85/00/1038018500.db2.gz MOJJXQINPCRTGM-MRXNPFEDSA-N 1 0 363.502 2.868 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3[C@@H](C)CNCC3(F)F)CC2)c(C)c1 ZINC001236368902 1038061321 /nfs/dbraw/zinc/06/13/21/1038061321.db2.gz WMPZGWYYEYPGKT-DOTOQJQBSA-N 1 0 353.457 2.616 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3[C@H](C)CNCC3(F)F)CC2)c(C)c1 ZINC001236368932 1038062152 /nfs/dbraw/zinc/06/21/52/1038062152.db2.gz WMPZGWYYEYPGKT-WBVHZDCISA-N 1 0 353.457 2.616 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)cc1Br ZINC001236748524 1038232094 /nfs/dbraw/zinc/23/20/94/1038232094.db2.gz QTWMCVJTFGIKGB-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c(O)cc1Br ZINC001236749358 1038233051 /nfs/dbraw/zinc/23/30/51/1038233051.db2.gz AYKXORSRRRPIJW-ZDUSSCGKSA-N 1 0 371.275 2.606 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)cc1OC ZINC001236751160 1038238431 /nfs/dbraw/zinc/23/84/31/1038238431.db2.gz CNUIIYCMTKTNRQ-UHFFFAOYSA-N 1 0 374.481 2.634 20 10 FFCDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)c(O)cc1Br ZINC001236753156 1038241026 /nfs/dbraw/zinc/24/10/26/1038241026.db2.gz JWODTICBKACGCN-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)cc1OC ZINC001236753790 1038241044 /nfs/dbraw/zinc/24/10/44/1038241044.db2.gz IFGKUZXNAAFYOZ-HXUWFJFHSA-N 1 0 362.470 2.776 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccc(CC)cc1O ZINC001236788441 1038268502 /nfs/dbraw/zinc/26/85/02/1038268502.db2.gz NJNHLDSEVIHUCC-UHFFFAOYSA-N 1 0 351.443 2.663 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c(O)c1 ZINC001236787116 1038269222 /nfs/dbraw/zinc/26/92/22/1038269222.db2.gz JBHRGCDIGCQOAD-UHFFFAOYSA-N 1 0 358.482 2.558 20 10 FFCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(OCc4ccccc4)ccc3O)C[C@@H]12 ZINC001236789425 1038271368 /nfs/dbraw/zinc/27/13/68/1038271368.db2.gz PLSZICIGBYVJID-QFBILLFUSA-N 1 0 352.434 2.539 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c(O)c1 ZINC001236810783 1038284773 /nfs/dbraw/zinc/28/47/73/1038284773.db2.gz JXWKUEGBJWRGQG-GJZGRUSLSA-N 1 0 356.422 2.506 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)cc1 ZINC001236811682 1038285115 /nfs/dbraw/zinc/28/51/15/1038285115.db2.gz WHNJMZCUQGFVBY-UHFFFAOYSA-N 1 0 370.449 2.818 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cc3ccccc3cc2O)C1 ZINC001236831333 1038294588 /nfs/dbraw/zinc/29/45/88/1038294588.db2.gz VLTHVAXZVJWING-INIZCTEOSA-N 1 0 350.466 2.936 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921295 1038357424 /nfs/dbraw/zinc/35/74/24/1038357424.db2.gz CNYHMZOUVDUQOM-GDBMZVCRSA-N 1 0 366.889 2.808 20 10 FFCDRO CCOC(=O)c1c(CN(CCCOC)[C@@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236947586 1038374678 /nfs/dbraw/zinc/37/46/78/1038374678.db2.gz UCOTWJOIOHDCQE-MRXNPFEDSA-N 1 0 373.497 2.555 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c(O)c1 ZINC001237044165 1038420348 /nfs/dbraw/zinc/42/03/48/1038420348.db2.gz BCQMADNDDRAEDN-KRWDZBQOSA-N 1 0 364.486 2.929 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c(O)c1 ZINC001237048681 1038423043 /nfs/dbraw/zinc/42/30/43/1038423043.db2.gz VLXBEJIPJXBPMP-UHFFFAOYSA-N 1 0 361.486 2.951 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(O)c1 ZINC001237050896 1038424117 /nfs/dbraw/zinc/42/41/17/1038424117.db2.gz HGMDNBATKXWBEV-RTBURBONSA-N 1 0 368.481 2.643 20 10 FFCDRO CC[N@H+](CCOC)Cc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001237088578 1038441109 /nfs/dbraw/zinc/44/11/09/1038441109.db2.gz BUKGRELDYODPOC-UHFFFAOYSA-N 1 0 370.335 2.669 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001237124283 1038450785 /nfs/dbraw/zinc/45/07/85/1038450785.db2.gz YZKDFZPSXGPFLJ-UHFFFAOYSA-N 1 0 368.359 2.793 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001237126000 1038451866 /nfs/dbraw/zinc/45/18/66/1038451866.db2.gz YCWUHFUVZGMCAV-UHFFFAOYSA-N 1 0 370.852 2.788 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2ccc[nH]2)c1 ZINC001278615163 1038817415 /nfs/dbraw/zinc/81/74/15/1038817415.db2.gz MNVXVCAREFGKOU-KDURUIRLSA-N 1 0 353.466 2.837 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)CCSC)CC2)cc1 ZINC001258200140 1039266203 /nfs/dbraw/zinc/26/62/03/1039266203.db2.gz QEKSISSTJIURCB-QGZVFWFLSA-N 1 0 351.560 2.939 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001210215157 1039432441 /nfs/dbraw/zinc/43/24/41/1039432441.db2.gz GXPHTUSVHVAFRC-OAQYLSRUSA-N 1 0 355.457 2.809 20 10 FFCDRO O=C1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001258572034 1039434714 /nfs/dbraw/zinc/43/47/14/1039434714.db2.gz GQEKOGUEYKRRCD-SFHVURJKSA-N 1 0 354.450 2.811 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001276682916 1039504298 /nfs/dbraw/zinc/50/42/98/1039504298.db2.gz DVFTVGMVCIWMKQ-OAQYLSRUSA-N 1 0 358.482 2.718 20 10 FFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)ccc1N(C)C ZINC001278687636 1039785697 /nfs/dbraw/zinc/78/56/97/1039785697.db2.gz UUCKYGTUPHXSJT-BGYRXZFFSA-N 1 0 353.514 2.606 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001278491483 1039885389 /nfs/dbraw/zinc/88/53/89/1039885389.db2.gz VXHANPPMUJHJRW-LJQANCHMSA-N 1 0 351.922 2.895 20 10 FFCDRO COc1ccc(CNCc2nc(-c3ccc(OC)c(F)c3)no2)c(O)c1 ZINC001248253038 1040194316 /nfs/dbraw/zinc/19/43/16/1040194316.db2.gz UPXKHVIHKLVIOD-UHFFFAOYSA-N 1 0 359.357 2.888 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C2CCCC2)C2CCN(C)CC2)c(O)c1 ZINC001249218540 1040635181 /nfs/dbraw/zinc/63/51/81/1040635181.db2.gz YCNQWSDRMZCLJA-UHFFFAOYSA-N 1 0 360.498 2.947 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccc3c(c2)OCCC3=O)no1)c1ccccc1O ZINC001249339623 1040690957 /nfs/dbraw/zinc/69/09/57/1040690957.db2.gz ODNRCDFJECFCFL-CQSZACIVSA-N 1 0 351.362 2.650 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001254729966 1040914533 /nfs/dbraw/zinc/91/45/33/1040914533.db2.gz OWRRRTDWPGQBCG-LPWZSFRNSA-N 1 0 357.454 2.559 20 10 FFCDRO CC(=O)Nc1ccc(CN2CC3(C2)C[NH+](Cc2ccccc2O)C3)cc1 ZINC001278551602 1041113841 /nfs/dbraw/zinc/11/38/41/1041113841.db2.gz LAAOSBGOECEOOS-UHFFFAOYSA-N 1 0 351.450 2.668 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(O)cc1Br ZINC001250121019 1041122597 /nfs/dbraw/zinc/12/25/97/1041122597.db2.gz YYJHSEOQEYBBAK-UHFFFAOYSA-N 1 0 353.260 2.565 20 10 FFCDRO Cc1cc(CN2CC[NH+](CCC(C)(C)O)CC2)c(O)cc1Br ZINC001250134309 1041126411 /nfs/dbraw/zinc/12/64/11/1041126411.db2.gz ZFJZMIARSKIRRO-UHFFFAOYSA-N 1 0 371.319 2.742 20 10 FFCDRO COc1cccc(C[NH+]2CC3(CN(C(=O)[C@@H]4C=CCC=C4C)C3)C2)c1O ZINC001278560449 1041166266 /nfs/dbraw/zinc/16/62/66/1041166266.db2.gz CNBHKZUENPLBPL-QGZVFWFLSA-N 1 0 354.450 2.567 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)c1 ZINC001278568541 1041203488 /nfs/dbraw/zinc/20/34/88/1041203488.db2.gz ACDDFPVUIJUWSV-MAUKXSAKSA-N 1 0 372.490 2.738 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c1O ZINC001278577063 1041236937 /nfs/dbraw/zinc/23/69/37/1041236937.db2.gz MOZLMULXGVNIOC-UHFFFAOYSA-N 1 0 356.470 2.612 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4nonc4c3)c2)CC1 ZINC001261439119 1041237553 /nfs/dbraw/zinc/23/75/53/1041237553.db2.gz AZMXBJAQTSIORF-UHFFFAOYSA-N 1 0 351.410 2.617 20 10 FFCDRO CCO[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C1CC1 ZINC001214643110 1041516342 /nfs/dbraw/zinc/51/63/42/1041516342.db2.gz DYJYQELNMDSWAW-XFQXTVEOSA-N 1 0 360.498 2.755 20 10 FFCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)n1 ZINC001262375291 1041664819 /nfs/dbraw/zinc/66/48/19/1041664819.db2.gz FIGDNCFILLXDGK-GOSISDBHSA-N 1 0 371.504 2.691 20 10 FFCDRO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001279141545 1042916057 /nfs/dbraw/zinc/91/60/57/1042916057.db2.gz VAQSLWNGAMORNY-HOTGVXAUSA-N 1 0 358.463 2.577 20 10 FFCDRO O=c1cccc(CN2CC3(C2)CC[NH+](Cc2cc(F)ccc2O)CC3)[nH]1 ZINC001279197403 1042941627 /nfs/dbraw/zinc/94/16/27/1042941627.db2.gz UXFSUOLNZJPKKA-UHFFFAOYSA-N 1 0 357.429 2.730 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CN(C(=O)NCC(F)(F)F)C3)CC2)c1O ZINC001279290095 1042985495 /nfs/dbraw/zinc/98/54/95/1042985495.db2.gz FAJFPRUIGHQKLI-UHFFFAOYSA-N 1 0 371.403 2.870 20 10 FFCDRO C[C@H]1C[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC[C@@H]1C ZINC001237204037 1043051653 /nfs/dbraw/zinc/05/16/53/1043051653.db2.gz XKYFUOGKBDANTB-IRXDYDNUSA-N 1 0 350.528 2.789 20 10 FFCDRO COc1cc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)cc(O)c1O ZINC001237275807 1043085882 /nfs/dbraw/zinc/08/58/82/1043085882.db2.gz QOGJQIMDWJUBJT-UHFFFAOYSA-N 1 0 354.450 2.743 20 10 FFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001279433195 1043107612 /nfs/dbraw/zinc/10/76/12/1043107612.db2.gz ODMNZJZAUTUCAK-UHFFFAOYSA-N 1 0 368.905 2.872 20 10 FFCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c(Br)c1 ZINC001237410453 1043147717 /nfs/dbraw/zinc/14/77/17/1043147717.db2.gz DBVZBHZSATYGBZ-XHDPSFHLSA-N 1 0 355.276 2.737 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c1O ZINC001279475900 1043158211 /nfs/dbraw/zinc/15/82/11/1043158211.db2.gz CHHZRFKJIDZEOS-GJZGRUSLSA-N 1 0 367.877 2.821 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2c(C)cccc2O)CCN1C(=O)OC(C)(C)C ZINC001237485137 1043197247 /nfs/dbraw/zinc/19/72/47/1043197247.db2.gz MDQFFJXLMDRDBD-OAHLLOKOSA-N 1 0 350.459 2.768 20 10 FFCDRO O=C(c1ccc(O)c(O)c1Cl)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001279524934 1043222000 /nfs/dbraw/zinc/22/20/00/1043222000.db2.gz YGQNZEOFEIEKPG-UHFFFAOYSA-N 1 0 350.846 2.842 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]4(CN(C)CCO4)C3)c2c1 ZINC001279537395 1043235307 /nfs/dbraw/zinc/23/53/07/1043235307.db2.gz OGVFUUPZFMVEJY-OAQYLSRUSA-N 1 0 356.466 2.851 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c(O)c(OC)c1 ZINC001237671636 1043301603 /nfs/dbraw/zinc/30/16/03/1043301603.db2.gz DCCLVLIGMOYFBE-UHFFFAOYSA-N 1 0 361.417 2.656 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237670291 1043301662 /nfs/dbraw/zinc/30/16/62/1043301662.db2.gz RTKWQJFJGKYHOQ-HIFRSBDPSA-N 1 0 367.339 2.637 20 10 FFCDRO COc1cc(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237669639 1043302096 /nfs/dbraw/zinc/30/20/96/1043302096.db2.gz MFIQESZIDLDVIF-OKILXGFUSA-N 1 0 364.442 2.603 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)C1=O ZINC001237686480 1043312979 /nfs/dbraw/zinc/31/29/79/1043312979.db2.gz RGCSEADOAIQEBW-UHFFFAOYSA-N 1 0 366.889 2.815 20 10 FFCDRO COCC[N@H+](Cc1cc(Cl)cc(C)c1O)C1CCN(C(C)=O)CC1 ZINC001237687561 1043314462 /nfs/dbraw/zinc/31/44/62/1043314462.db2.gz MFGQTBSSWOAOCU-UHFFFAOYSA-N 1 0 354.878 2.813 20 10 FFCDRO CC[NH+](CC)CCN(C)Cc1cccc(I)c1O ZINC001237782658 1043355707 /nfs/dbraw/zinc/35/57/07/1043355707.db2.gz GAPQLTCGDLITOI-UHFFFAOYSA-N 1 0 362.255 2.770 20 10 FFCDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(O)c(Br)cc1O)C2 ZINC001279663602 1043423421 /nfs/dbraw/zinc/42/34/21/1043423421.db2.gz YMMFKMVNFDYAIL-INIZCTEOSA-N 1 0 355.276 2.778 20 10 FFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C2)C1 ZINC001279672845 1043443252 /nfs/dbraw/zinc/44/32/52/1043443252.db2.gz DRIDBJBJFPMYQD-KRWDZBQOSA-N 1 0 374.403 2.630 20 10 FFCDRO CCOc1ccc(N2CCC[C@@]3(CN(Cc4cn[nH]c4)CCO3)C2)cc1 ZINC001279731516 1043545731 /nfs/dbraw/zinc/54/57/31/1043545731.db2.gz JASRWSPSJLRGLT-HXUWFJFHSA-N 1 0 356.470 2.680 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)cc1 ZINC001279743198 1043571905 /nfs/dbraw/zinc/57/19/05/1043571905.db2.gz IPAWIIWZDSXPCR-TVPLGVNVSA-N 1 0 359.489 2.971 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001238187442 1043599747 /nfs/dbraw/zinc/59/97/47/1043599747.db2.gz MHGFLPDTLPIHKG-BZROSYFNSA-N 1 0 373.482 2.808 20 10 FFCDRO O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001280023794 1044100124 /nfs/dbraw/zinc/10/01/24/1044100124.db2.gz SCRQTMPKRNNDTI-LVFSCSRESA-N 1 0 364.436 2.897 20 10 FFCDRO CC[N@@H+]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC001313930233 1044443959 /nfs/dbraw/zinc/44/39/59/1044443959.db2.gz AKDISRCTNIJJGQ-INIZCTEOSA-N 1 0 368.529 2.548 20 10 FFCDRO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292747 1044560232 /nfs/dbraw/zinc/56/02/32/1044560232.db2.gz NEXOVZNSPOUMCI-YQKAXRLLSA-N 1 0 350.409 2.750 20 10 FFCDRO CCN(C(=O)[C@H]1COCCC12C[NH+](Cc1cc(F)ccc1O)C2)C(C)C ZINC001280293030 1044561074 /nfs/dbraw/zinc/56/10/74/1044561074.db2.gz HYFFLKGDVRQJAM-QGZVFWFLSA-N 1 0 364.461 2.627 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3ccccc3)cc2F)CC1 ZINC001318553423 1044745807 /nfs/dbraw/zinc/74/58/07/1044745807.db2.gz YCPUXSXFOKEXMW-NRFANRHFSA-N 1 0 357.473 2.575 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC[C@@H]3C[NH+]3CCCC3)cc2F)CC1 ZINC001319947361 1045309957 /nfs/dbraw/zinc/30/99/57/1045309957.db2.gz KPENFXVUESWVKD-LJQANCHMSA-N 1 0 360.521 2.638 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@](C)(CO)c3ccccc3)cc2F)CC1 ZINC001324311358 1045965150 /nfs/dbraw/zinc/96/51/50/1045965150.db2.gz ALINEWUXAIADNK-NRFANRHFSA-N 1 0 357.473 2.575 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC/C=C/C3CC3)cc2F)CC1 ZINC001324594531 1046119355 /nfs/dbraw/zinc/11/93/55/1046119355.db2.gz KHRPREZYXLQADF-ONEGZZNKSA-N 1 0 360.477 2.733 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324732082 1046192811 /nfs/dbraw/zinc/19/28/11/1046192811.db2.gz AUTQGZOAYZHIJK-PKOBYXMFSA-N 1 0 359.514 2.650 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326323814 1046874400 /nfs/dbraw/zinc/87/44/00/1046874400.db2.gz QNLXOJXMYNBOCD-QGZVFWFLSA-N 1 0 355.404 2.787 20 10 FFCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001331521329 1047983047 /nfs/dbraw/zinc/98/30/47/1047983047.db2.gz UXPLRDGUZZZBKE-LBPRGKRZSA-N 1 0 355.429 2.987 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1O ZINC001332022176 1048215101 /nfs/dbraw/zinc/21/51/01/1048215101.db2.gz UECBNOYRNGYPJQ-CYBMUJFWSA-N 1 0 362.289 2.520 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC001329731180 1048876153 /nfs/dbraw/zinc/87/61/53/1048876153.db2.gz KMXWTAUPHKXCJL-UHFFFAOYSA-N 1 0 363.259 2.703 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC3(C[NH+](C)C3)C2)ccc1C ZINC001329985269 1048993117 /nfs/dbraw/zinc/99/31/17/1048993117.db2.gz NEKDLTXOIJMFKZ-UHFFFAOYSA-N 1 0 365.477 2.993 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c(O)c1OC ZINC001334214520 1049314727 /nfs/dbraw/zinc/31/47/27/1049314727.db2.gz NEGISXJUTSAXEQ-ZDUSSCGKSA-N 1 0 367.392 2.628 20 10 FFCDRO Cc1ncsc1/C=C/C(=O)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001341998236 1050593976 /nfs/dbraw/zinc/59/39/76/1050593976.db2.gz AJCPZDMZRIKVSN-MIVXPEEVSA-N 1 0 369.490 2.974 20 10 FFCDRO CCO[C@H]1CCC[C@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001308234629 1052434794 /nfs/dbraw/zinc/43/47/94/1052434794.db2.gz RCDFPRFYUVVUBZ-RXVVDRJESA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1Cn1cccn1 ZINC001308373876 1052451468 /nfs/dbraw/zinc/45/14/68/1052451468.db2.gz LLZACWNCWBVQPC-NRFANRHFSA-N 1 0 365.477 2.942 20 10 FFCDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001308505604 1052462395 /nfs/dbraw/zinc/46/23/95/1052462395.db2.gz FXCFSCCDSJHUPJ-LBPRGKRZSA-N 1 0 360.366 2.703 20 10 FFCDRO COC(=O)C1([C@]2(O)CCC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)CCC1 ZINC001308955779 1052526174 /nfs/dbraw/zinc/52/61/74/1052526174.db2.gz ZVLDBERVYLJKOJ-FDQBOKQBSA-N 1 0 372.509 2.936 20 10 FFCDRO CC[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC001345781366 1052610556 /nfs/dbraw/zinc/61/05/56/1052610556.db2.gz SXHMKVPFPFBEAB-AUUYWEPGSA-N 1 0 367.440 2.763 20 10 FFCDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2ccc(N)cc2)cc1 ZINC001336908602 1054330867 /nfs/dbraw/zinc/33/08/67/1054330867.db2.gz RLOMEGCJSMZQIO-PMACEKPBSA-N 1 0 368.481 2.612 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337005369 1054404801 /nfs/dbraw/zinc/40/48/01/1054404801.db2.gz YYRNDNKOLYEHIT-UTKZUKDTSA-N 1 0 367.449 2.790 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@@H](CO)Cc2cc(OC)cc(OC)c2)c1O ZINC000848898802 1055325412 /nfs/dbraw/zinc/32/54/12/1055325412.db2.gz YLKRDLJWYLKDJP-INIZCTEOSA-N 1 0 359.466 2.913 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@H](CO)Cc2cc(OC)cc(OC)c2)c1O ZINC000848898804 1055326437 /nfs/dbraw/zinc/32/64/37/1055326437.db2.gz YLKRDLJWYLKDJP-MRXNPFEDSA-N 1 0 359.466 2.913 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1O ZINC000848900762 1055331030 /nfs/dbraw/zinc/33/10/30/1055331030.db2.gz PZVZBKKKTAHXIH-LJQANCHMSA-N 1 0 367.493 2.946 20 10 FFCDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc(CC)c3O)CC2)n1 ZINC000848907113 1055344221 /nfs/dbraw/zinc/34/42/21/1055344221.db2.gz IUUSGQQEQBKJGZ-UHFFFAOYSA-N 1 0 358.442 2.629 20 10 FFCDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000849071907 1055628760 /nfs/dbraw/zinc/62/87/60/1055628760.db2.gz PHHLSRDEMXGXPE-UHFFFAOYSA-N 1 0 356.445 2.785 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccnc2Cl)[NH+](C)C)cc1 ZINC001353172321 1056149778 /nfs/dbraw/zinc/14/97/78/1056149778.db2.gz ANAQXSSTHWQBKC-OAHLLOKOSA-N 1 0 364.852 2.973 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001200346495 1056430358 /nfs/dbraw/zinc/43/03/58/1056430358.db2.gz NTDPGXUOLZGXOL-MRXNPFEDSA-N 1 0 362.477 2.954 20 10 FFCDRO [NH2+]=C(NCCc1ccccc1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000849116456 1056770623 /nfs/dbraw/zinc/77/06/23/1056770623.db2.gz PQTHAVPOONASJH-UHFFFAOYSA-N 1 0 374.435 2.658 20 10 FFCDRO C[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001448724792 1058810883 /nfs/dbraw/zinc/81/08/83/1058810883.db2.gz WOQICWWNWUEMED-NRFANRHFSA-N 1 0 354.450 2.669 20 10 FFCDRO C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001545632430 1071822665 /nfs/dbraw/zinc/82/26/65/1071822665.db2.gz LTOFCXSICBMPIY-MJEQTWJJSA-N 1 0 352.862 2.551 20 10 FFCDRO CCCn1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001354675787 1059352445 /nfs/dbraw/zinc/35/24/45/1059352445.db2.gz GFNVMTPGWPPWIA-GOSISDBHSA-N 1 0 358.490 2.784 20 10 FFCDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC001200830312 1059724315 /nfs/dbraw/zinc/72/43/15/1059724315.db2.gz KGSSJEZAMIXGCS-LJQANCHMSA-N 1 0 367.497 2.614 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001517150488 1060372481 /nfs/dbraw/zinc/37/24/81/1060372481.db2.gz YDZNNCWRIAXCOW-SFHVURJKSA-N 1 0 369.513 2.913 20 10 FFCDRO COc1ccc(N2CCN(CC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c(OC)c1 ZINC001460661643 1061051827 /nfs/dbraw/zinc/05/18/27/1061051827.db2.gz DMHVJXPMTYLHHK-HDICACEKSA-N 1 0 361.530 2.804 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCC[C@H](C)C1 ZINC001461046309 1061195494 /nfs/dbraw/zinc/19/54/94/1061195494.db2.gz YDWLFRDGPIENIP-ZWKOTPCHSA-N 1 0 362.537 2.788 20 10 FFCDRO CCOCc1cc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)ccc1OC ZINC001461265972 1061273755 /nfs/dbraw/zinc/27/37/55/1061273755.db2.gz WUONVYIHUCWYLI-UHFFFAOYSA-N 1 0 350.459 2.941 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC001461363659 1061299753 /nfs/dbraw/zinc/29/97/53/1061299753.db2.gz JSQRHKHKHVNPNO-VGSWGCGISA-N 1 0 371.500 2.659 20 10 FFCDRO COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001462657050 1061711270 /nfs/dbraw/zinc/71/12/70/1061711270.db2.gz ZIJGUQSODTVSOX-UHFFFAOYSA-N 1 0 357.406 2.890 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)o1 ZINC000775671779 1062141339 /nfs/dbraw/zinc/14/13/39/1062141339.db2.gz ARVLBNDBMYSJDO-GOSISDBHSA-N 1 0 355.486 2.509 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2ncc3ccccc32)[NH+](C)C)cc1 ZINC001439959996 1063241259 /nfs/dbraw/zinc/24/12/59/1063241259.db2.gz JDDUDPOHDSMQTQ-FQEVSTJZSA-N 1 0 365.481 2.521 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001471544974 1064712005 /nfs/dbraw/zinc/71/20/05/1064712005.db2.gz PVEFRFRBRSAHBZ-CRAIPNDOSA-N 1 0 362.518 2.564 20 10 FFCDRO Cc1cc(C[NH+]2CCC(O)(c3ncnn3C)CC2)ccc1N1CCCCC1 ZINC001473765350 1065352145 /nfs/dbraw/zinc/35/21/45/1065352145.db2.gz GUWKRRHVFOXKRY-UHFFFAOYSA-N 1 0 369.513 2.597 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3c(C)cc(OC)cc3O)CC2)n1 ZINC001474353948 1065502034 /nfs/dbraw/zinc/50/20/34/1065502034.db2.gz YEEIJCNIAHIBAX-UHFFFAOYSA-N 1 0 372.469 2.610 20 10 FFCDRO COc1cc(C)c(C[NH2+]CCCn2cc(Br)cn2)c(O)c1 ZINC001474564091 1065550777 /nfs/dbraw/zinc/55/07/77/1065550777.db2.gz XFIMBDSTQNBFHW-UHFFFAOYSA-N 1 0 354.248 2.848 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001577734709 1078392779 /nfs/dbraw/zinc/39/27/79/1078392779.db2.gz RETIAXWHBJDHCE-RDBSUJKOSA-N 1 0 353.260 2.644 20 10 FFCDRO Cc1cc2c(cc1Br)N(C(=O)C1=CC[C@@H]([NH3+])C1)C[C@@H](C)O2 ZINC001579643778 1078653439 /nfs/dbraw/zinc/65/34/39/1078653439.db2.gz IWMMVPSWOONSMK-ZYHUDNBSSA-N 1 0 351.244 2.919 20 10 FFCDRO COc1cc(C)sc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001558123521 1075946794 /nfs/dbraw/zinc/94/67/94/1075946794.db2.gz HPGVEEQHZVDVIP-UHFFFAOYSA-N 1 0 359.495 2.747 20 10 FFCDRO Cc1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001558548671 1076030024 /nfs/dbraw/zinc/03/00/24/1076030024.db2.gz FPYKOWCIWMXQOF-GOSISDBHSA-N 1 0 367.493 2.914 20 10 FFCDRO COC(=O)CN(CC[NH+]1C[C@@H](C)C[C@H](C)C1)Cc1cc(Cl)ccc1O ZINC001559607381 1076176783 /nfs/dbraw/zinc/17/67/83/1076176783.db2.gz JZFIWBBKWBQDIK-GJZGRUSLSA-N 1 0 368.905 2.999 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(OCCC)c(C)c2)CC1 ZINC001560264969 1076258077 /nfs/dbraw/zinc/25/80/77/1076258077.db2.gz XFCZMHWWXXQYLI-UHFFFAOYSA-N 1 0 361.530 2.864 20 10 FFCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2c(C)cc(OC)cc2O)c1 ZINC001560634739 1076286366 /nfs/dbraw/zinc/28/63/66/1076286366.db2.gz HAYYDIVBXLTPRF-UHFFFAOYSA-N 1 0 361.438 2.721 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H](C)C3(C)CC3)CC2)cc1 ZINC001563620953 1076570816 /nfs/dbraw/zinc/57/08/16/1076570816.db2.gz IBULCJRMVCCZFZ-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1nccn1-c1ccc(CNC(=O)NCc2cccc(Cl)c2O)cn1 ZINC001563697525 1076576137 /nfs/dbraw/zinc/57/61/37/1076576137.db2.gz BCXMHGDCUHSIFM-UHFFFAOYSA-N 1 0 371.828 2.934 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CCCSC2)[NH+](C)C)cc1 ZINC001564855331 1076665012 /nfs/dbraw/zinc/66/50/12/1076665012.db2.gz MSGYSLKLPPIKTE-CRAIPNDOSA-N 1 0 364.559 2.798 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC001586838532 1079693576 /nfs/dbraw/zinc/69/35/76/1079693576.db2.gz DUCXLRKNGAATAK-HNNXBMFYSA-N 1 0 353.466 2.978 20 10 FFCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590260423 1081129086 /nfs/dbraw/zinc/12/90/86/1081129086.db2.gz QTUYPEFSPVQJCZ-HUUCEWRRSA-N 1 0 358.490 2.735 20 10 FFCDRO C[C@@](O)(CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000371116905 512226364 /nfs/dbraw/zinc/22/63/64/512226364.db2.gz HJGPXRGUMKEGCW-VQIMIIECSA-N 1 0 366.889 2.677 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000038082784 506434676 /nfs/dbraw/zinc/43/46/76/506434676.db2.gz KPCCYKSTCMKUME-GXFFZTMASA-N 1 0 362.289 2.630 20 10 FFCDRO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571733 507047533 /nfs/dbraw/zinc/04/75/33/507047533.db2.gz OTAUVMSQDXSGOG-KRWDZBQOSA-N 1 0 359.514 2.792 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000373470005 512347608 /nfs/dbraw/zinc/34/76/08/512347608.db2.gz QJEASPZXMJVYLZ-UHFFFAOYSA-N 1 0 351.443 2.583 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1cccs1)cc2=O ZINC000052283224 507805299 /nfs/dbraw/zinc/80/52/99/507805299.db2.gz NISSPXBRTVEXEL-NSHDSACASA-N 1 0 360.439 2.866 20 10 FFCDRO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000109770680 507986217 /nfs/dbraw/zinc/98/62/17/507986217.db2.gz FEXLEEISPLDUEC-OAHLLOKOSA-N 1 0 367.449 2.978 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000092380821 508065994 /nfs/dbraw/zinc/06/59/94/508065994.db2.gz WQRKQCXWLMSISS-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)Cc1ccccc1O ZINC000111236454 508080694 /nfs/dbraw/zinc/08/06/94/508080694.db2.gz FVGZGZDCUYTGRL-OAHLLOKOSA-N 1 0 367.449 2.978 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000111511150 508105804 /nfs/dbraw/zinc/10/58/04/508105804.db2.gz HTZUDAQEBOTAFM-FQEVSTJZSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000105266344 508367765 /nfs/dbraw/zinc/36/77/65/508367765.db2.gz KDOYZCDQHQDQHP-YJBOKZPZSA-N 1 0 361.486 2.566 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc4ccccn43)C1)OCO2 ZINC000121787542 508418438 /nfs/dbraw/zinc/41/84/38/508418438.db2.gz VJNYTLBBZGROMB-CYBMUJFWSA-N 1 0 352.394 2.543 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000152527742 508464357 /nfs/dbraw/zinc/46/43/57/508464357.db2.gz HKJJABSPLJSMFU-OXJNMPFZSA-N 1 0 374.456 2.753 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000157060350 508517543 /nfs/dbraw/zinc/51/75/43/508517543.db2.gz CDRSQUCVJCWRHW-ZDUSSCGKSA-N 1 0 368.437 2.801 20 10 FFCDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000160360990 508975801 /nfs/dbraw/zinc/97/58/01/508975801.db2.gz JNSZISRCESYBCQ-SFHVURJKSA-N 1 0 372.557 2.880 20 10 FFCDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1O ZINC000155365172 508986082 /nfs/dbraw/zinc/98/60/82/508986082.db2.gz BFQAHOMBHNLAGL-SNVBAGLBSA-N 1 0 369.181 2.874 20 10 FFCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151549984 509041525 /nfs/dbraw/zinc/04/15/25/509041525.db2.gz LNEXKUZTFKCLQH-GOSISDBHSA-N 1 0 358.461 2.688 20 10 FFCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]CC1=CCCOC1 ZINC000126575334 509097269 /nfs/dbraw/zinc/09/72/69/509097269.db2.gz GOIDIQJJIDHFRC-UHFFFAOYSA-N 1 0 356.388 2.978 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000182888364 509478200 /nfs/dbraw/zinc/47/82/00/509478200.db2.gz OSPAEJVIAXKNMY-GOEBONIOSA-N 1 0 361.486 2.853 20 10 FFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)C1 ZINC000186109017 509526213 /nfs/dbraw/zinc/52/62/13/509526213.db2.gz TWFGAACLBOOIQI-JQWIXIFHSA-N 1 0 356.264 2.609 20 10 FFCDRO NC(=O)N1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183029924 509557113 /nfs/dbraw/zinc/55/71/13/509557113.db2.gz ORYVPWXNNLSTBQ-UHFFFAOYSA-N 1 0 355.438 2.558 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1OC ZINC000180031052 509716981 /nfs/dbraw/zinc/71/69/81/509716981.db2.gz GJOYWZRAMPRIIM-UHFFFAOYSA-N 1 0 363.483 2.574 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)OCO2 ZINC000170790683 509777862 /nfs/dbraw/zinc/77/78/62/509777862.db2.gz XXPFIYULOHWJEP-INIZCTEOSA-N 1 0 355.312 2.661 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc(OC)c1OC ZINC000183698836 509932375 /nfs/dbraw/zinc/93/23/75/509932375.db2.gz YVDMNPDALTZTAK-UHFFFAOYSA-N 1 0 372.465 2.527 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187338805 510205565 /nfs/dbraw/zinc/20/55/65/510205565.db2.gz WCHLKTXKUMHADZ-QWRGUYRKSA-N 1 0 364.305 2.937 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1C ZINC000181110811 510279378 /nfs/dbraw/zinc/27/93/78/510279378.db2.gz GFGQDHVSRGPVDM-UHFFFAOYSA-N 1 0 354.516 2.549 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1OC ZINC000181210513 510303692 /nfs/dbraw/zinc/30/36/92/510303692.db2.gz ZEOYCXXPSZKVJF-UHFFFAOYSA-N 1 0 364.486 2.534 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000194441762 510366113 /nfs/dbraw/zinc/36/61/13/510366113.db2.gz ZCMAPWQMNOQRFL-KRWDZBQOSA-N 1 0 369.465 2.722 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1[O-] ZINC000185322115 510804535 /nfs/dbraw/zinc/80/45/35/510804535.db2.gz WPFPCYONZBVAFN-AWEZNQCLSA-N 1 0 359.445 2.674 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000270602261 510921072 /nfs/dbraw/zinc/92/10/72/510921072.db2.gz AWCFOUAEKLGRIS-CRAIPNDOSA-N 1 0 362.376 2.741 20 10 FFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1O ZINC000276551381 510942542 /nfs/dbraw/zinc/94/25/42/510942542.db2.gz HSSLGEAAFJTZMI-HNNXBMFYSA-N 1 0 358.413 2.831 20 10 FFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Cl ZINC000276973113 510950808 /nfs/dbraw/zinc/95/08/08/510950808.db2.gz FQNCFRLEYYRNEJ-UHFFFAOYSA-N 1 0 351.855 2.968 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000277049264 510953381 /nfs/dbraw/zinc/95/33/81/510953381.db2.gz NEWRCMMTOOWQDK-GOSISDBHSA-N 1 0 355.486 2.584 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000277322505 510960252 /nfs/dbraw/zinc/96/02/52/510960252.db2.gz DPFOINIFWHVHJT-QWHCGFSZSA-N 1 0 370.291 2.827 20 10 FFCDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297613976 511009929 /nfs/dbraw/zinc/00/99/29/511009929.db2.gz IRJWXFODGXJWTG-FUHWJXTLSA-N 1 0 352.482 2.575 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1OC ZINC000271078416 511076775 /nfs/dbraw/zinc/07/67/75/511076775.db2.gz HUBWAUUHNDUFLD-QGZVFWFLSA-N 1 0 365.470 2.960 20 10 FFCDRO COc1cc(N2CC[NH+](CCC3(OC)CCC3)CC2)cc(OC)c1OC ZINC000294557212 511102969 /nfs/dbraw/zinc/10/29/69/511102969.db2.gz LFURHAAIDSMYIB-UHFFFAOYSA-N 1 0 364.486 2.794 20 10 FFCDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000290231881 511129838 /nfs/dbraw/zinc/12/98/38/511129838.db2.gz IQZSXECTCIBSOD-HLLQZAQXSA-N 1 0 372.440 2.808 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(N2CCCNC2=O)cc1 ZINC000291038854 511157031 /nfs/dbraw/zinc/15/70/31/511157031.db2.gz GDGKNCFVEFYYGV-CYBMUJFWSA-N 1 0 369.421 2.891 20 10 FFCDRO COc1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000294772736 511173624 /nfs/dbraw/zinc/17/36/24/511173624.db2.gz KHCSCFPCTOSJQI-QWHCGFSZSA-N 1 0 360.841 2.835 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)ccc1OC ZINC000363093260 511348697 /nfs/dbraw/zinc/34/86/97/511348697.db2.gz CNXSQYHYAGTBSD-GOSISDBHSA-N 1 0 359.470 2.588 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](N4CCOCC4)C[C@H]3C)cc2)CC1 ZINC000295368593 511380027 /nfs/dbraw/zinc/38/00/27/511380027.db2.gz SEZBMRYQCFSNMF-NQIIRXRSSA-N 1 0 373.541 2.597 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC000292050445 511446933 /nfs/dbraw/zinc/44/69/33/511446933.db2.gz JDBKARDPWHUTBR-INMHGKMJSA-N 1 0 363.477 2.588 20 10 FFCDRO C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370218 511523194 /nfs/dbraw/zinc/52/31/94/511523194.db2.gz CJKOGEWYODRTFD-QLFBSQMISA-N 1 0 351.447 2.840 20 10 FFCDRO CCn1nc(C)c(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000295814914 511523859 /nfs/dbraw/zinc/52/38/59/511523859.db2.gz UHBGWFAFRUWGEU-AWEZNQCLSA-N 1 0 365.428 2.966 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273484179 511528855 /nfs/dbraw/zinc/52/88/55/511528855.db2.gz VDIAIRLSFGVTGR-RDTXWAMCSA-N 1 0 355.438 2.638 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)ccc1OC ZINC000274820622 511953984 /nfs/dbraw/zinc/95/39/84/511953984.db2.gz RVTQUIQHSWJLMF-UHFFFAOYSA-N 1 0 371.481 2.753 20 10 FFCDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OCC(=O)OC)cc2)c1O ZINC000274891379 511978267 /nfs/dbraw/zinc/97/82/67/511978267.db2.gz DQBCJRMXIAWRBK-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000285284154 512064016 /nfs/dbraw/zinc/06/40/16/512064016.db2.gz VBJRASSJQFERQK-KRWDZBQOSA-N 1 0 360.454 2.811 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000378534118 512811452 /nfs/dbraw/zinc/81/14/52/512811452.db2.gz CAJLWEOEHXALMW-XSFOEPMVSA-N 1 0 352.434 2.844 20 10 FFCDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000370619884 513018664 /nfs/dbraw/zinc/01/86/64/513018664.db2.gz HJXUOGGNUBZJHV-INIZCTEOSA-N 1 0 370.468 2.843 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCOC2)C1 ZINC000435515470 513608455 /nfs/dbraw/zinc/60/84/55/513608455.db2.gz GZIJNJRJJDJRBZ-INIZCTEOSA-N 1 0 355.482 2.561 20 10 FFCDRO COC[C@H](C)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435520919 513609189 /nfs/dbraw/zinc/60/91/89/513609189.db2.gz UIMZBNSQMUDAHG-INIZCTEOSA-N 1 0 357.498 2.901 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc2c(cc1O)CCCC2 ZINC000527955522 518009696 /nfs/dbraw/zinc/00/96/96/518009696.db2.gz OLWMMFQXEOENQO-AOMKIAJQSA-N 1 0 374.525 2.537 20 10 FFCDRO Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592566746 520457828 /nfs/dbraw/zinc/45/78/28/520457828.db2.gz WVJSRLHVNGVPPJ-HNNXBMFYSA-N 1 0 365.481 2.657 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000154513856 728806010 /nfs/dbraw/zinc/80/60/10/728806010.db2.gz AZWKNQSHNXKZBR-CQSZACIVSA-N 1 0 356.561 2.902 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(C)c(C)cc2O)c(C)s1 ZINC000158391306 728887915 /nfs/dbraw/zinc/88/79/15/728887915.db2.gz FMIJAJVFAMBXTC-UHFFFAOYSA-N 1 0 368.524 2.755 20 10 FFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160045871 728916455 /nfs/dbraw/zinc/91/64/55/728916455.db2.gz RHESNDDKRTXPNE-AWEZNQCLSA-N 1 0 350.459 2.538 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)[NH+](C)C)cc1 ZINC000899098645 735447044 /nfs/dbraw/zinc/44/70/44/735447044.db2.gz QNTCUEMVQWNXIK-KFWWJZLASA-N 1 0 358.408 2.605 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000079506001 728313840 /nfs/dbraw/zinc/31/38/40/728313840.db2.gz NLWITECTSSOEJH-UHFFFAOYSA-N 1 0 363.527 2.895 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000126054560 728692320 /nfs/dbraw/zinc/69/23/20/728692320.db2.gz XOXYSZVXWGMHFV-UHFFFAOYSA-N 1 0 353.457 2.983 20 10 FFCDRO C[C@@H](OCC1CC1)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262491 728729357 /nfs/dbraw/zinc/72/93/57/728729357.db2.gz QHRGJXFYBBPJJJ-DYVFJYSZSA-N 1 0 366.889 2.941 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)CC1 ZINC000185158286 729343073 /nfs/dbraw/zinc/34/30/73/729343073.db2.gz MGOQRRBKQGPGMO-UHFFFAOYSA-N 1 0 363.458 2.768 20 10 FFCDRO CNS(=O)(=O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000190311736 729407002 /nfs/dbraw/zinc/40/70/02/729407002.db2.gz NNVSWAGUUJOATK-UHFFFAOYSA-N 1 0 356.532 2.626 20 10 FFCDRO C[C@]([NH3+])(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000192520599 729451721 /nfs/dbraw/zinc/45/17/21/729451721.db2.gz JNUASJSYNXGCKI-HXUWFJFHSA-N 1 0 355.507 2.730 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000305892528 729738587 /nfs/dbraw/zinc/73/85/87/729738587.db2.gz ZUJZXQCCJOIADX-LBPRGKRZSA-N 1 0 356.850 2.771 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858142662 730417738 /nfs/dbraw/zinc/41/77/38/730417738.db2.gz ISFBWDWQLZRNMQ-QWRGUYRKSA-N 1 0 362.289 2.600 20 10 FFCDRO O=[S@](CC[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000858186702 730419162 /nfs/dbraw/zinc/41/91/62/730419162.db2.gz JHPQKBNPJDQVGH-LJQANCHMSA-N 1 0 360.195 2.555 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1C ZINC000858280254 730421667 /nfs/dbraw/zinc/42/16/67/730421667.db2.gz LHGGOPPXHZIWMK-MRXNPFEDSA-N 1 0 350.459 2.735 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3nc(C)cs3)CC2)cc1 ZINC000858358363 730423730 /nfs/dbraw/zinc/42/37/30/730423730.db2.gz DALDETKHYVDGJP-MRXNPFEDSA-N 1 0 360.527 2.933 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686326 730634544 /nfs/dbraw/zinc/63/45/44/730634544.db2.gz NZTCQRVRWGKUOE-RISCZKNCSA-N 1 0 370.291 2.827 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000862357408 730691249 /nfs/dbraw/zinc/69/12/49/730691249.db2.gz YDQKDMKKKBIIEX-AWEZNQCLSA-N 1 0 369.303 2.699 20 10 FFCDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000862432800 730702248 /nfs/dbraw/zinc/70/22/48/730702248.db2.gz NQMCMXYBXPVONK-UHFFFAOYSA-N 1 0 352.232 2.984 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Br)ccc1O ZINC000866413520 731057326 /nfs/dbraw/zinc/05/73/26/731057326.db2.gz SFESRKNCFLBKHO-AAEUAGOBSA-N 1 0 357.292 2.651 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000866492036 731066538 /nfs/dbraw/zinc/06/65/38/731066538.db2.gz CCWFZLFUCAYIBV-QRTARXTBSA-N 1 0 350.459 2.722 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O ZINC000866493511 731066756 /nfs/dbraw/zinc/06/67/56/731066756.db2.gz VYLIZBODKOEYFR-UXLLHSPISA-N 1 0 350.459 2.803 20 10 FFCDRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)o1 ZINC000876522551 732254182 /nfs/dbraw/zinc/25/41/82/732254182.db2.gz UWIUYHILGICOKB-UHFFFAOYSA-N 1 0 364.467 2.968 20 10 FFCDRO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000876717557 732272044 /nfs/dbraw/zinc/27/20/44/732272044.db2.gz DGBXDPAERBWRTG-DLBZAZTESA-N 1 0 358.404 2.535 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCSC4(CCOCC4)C3)cc2)CC1 ZINC000877401547 732358023 /nfs/dbraw/zinc/35/80/23/732358023.db2.gz HWULXQJTURFVRR-UHFFFAOYSA-N 1 0 362.539 2.746 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1O ZINC000877675206 732410592 /nfs/dbraw/zinc/41/05/92/732410592.db2.gz OYYLLLQRNZIGIH-NSHDSACASA-N 1 0 350.728 2.539 20 10 FFCDRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350284 738620292 /nfs/dbraw/zinc/62/02/92/738620292.db2.gz ILOARSHMRIJTJC-QFBILLFUSA-N 1 0 366.889 2.943 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1O ZINC000880206578 732865579 /nfs/dbraw/zinc/86/55/79/732865579.db2.gz CBAVEBOKBCJCSF-QGZVFWFLSA-N 1 0 366.889 2.981 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)c(F)cc1[O-] ZINC000926946998 738671761 /nfs/dbraw/zinc/67/17/61/738671761.db2.gz HQUQAKMSVDJPPV-OFYUCFFLSA-N 1 0 360.223 2.748 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883269416 733357300 /nfs/dbraw/zinc/35/73/00/733357300.db2.gz JLZBRYUWOSNSLM-GFCCVEGCSA-N 1 0 370.243 2.697 20 10 FFCDRO Cn1c(Cl)nc(Cl)c1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283838 733359954 /nfs/dbraw/zinc/35/99/54/733359954.db2.gz VGQXLIHHZJESFQ-UHFFFAOYSA-N 1 0 368.312 2.769 20 10 FFCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000886325106 733773790 /nfs/dbraw/zinc/77/37/90/733773790.db2.gz UMPHQZGGQKJVON-UHFFFAOYSA-N 1 0 359.495 2.993 20 10 FFCDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3c(O)cccc3Br)O2)CO1 ZINC000886329296 733774326 /nfs/dbraw/zinc/77/43/26/733774326.db2.gz CBAOOPRWDYXLLL-XHBSWPGZSA-N 1 0 356.260 2.971 20 10 FFCDRO Cc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891250667 734405040 /nfs/dbraw/zinc/40/50/40/734405040.db2.gz BUKGZUCJTJMCNU-MRXNPFEDSA-N 1 0 361.877 2.537 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1OC ZINC000893188302 734665302 /nfs/dbraw/zinc/66/53/02/734665302.db2.gz DMKXTAFPSJAMIR-LBPRGKRZSA-N 1 0 354.447 2.660 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894472487 734864868 /nfs/dbraw/zinc/86/48/68/734864868.db2.gz SFSNRXTZSRTODN-AWEZNQCLSA-N 1 0 351.443 2.963 20 10 FFCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)[nH]1 ZINC000895008328 734951413 /nfs/dbraw/zinc/95/14/13/734951413.db2.gz WBUFKNBWTUJDII-LLVKDONJSA-N 1 0 351.248 2.879 20 10 FFCDRO COC(=O)c1cnc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895050391 734957633 /nfs/dbraw/zinc/95/76/33/734957633.db2.gz BXJCLWXYMBAKMO-ZDUSSCGKSA-N 1 0 361.467 2.554 20 10 FFCDRO CNC(=O)CC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000895442431 735006428 /nfs/dbraw/zinc/00/64/28/735006428.db2.gz OLKMJKYGWBXEJL-UHFFFAOYSA-N 1 0 350.459 2.586 20 10 FFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708309 735044047 /nfs/dbraw/zinc/04/40/47/735044047.db2.gz QMCIDAODXSOQLE-ZPIQOJFGSA-N 1 0 350.356 2.825 20 10 FFCDRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1c(O)cccc1Br ZINC000897177358 735201761 /nfs/dbraw/zinc/20/17/61/735201761.db2.gz OAEVCYMHCXRKRQ-ZDUSSCGKSA-N 1 0 370.287 2.908 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748646410 735661462 /nfs/dbraw/zinc/66/14/62/735661462.db2.gz FRDRFRRAHSDUOQ-SFHVURJKSA-N 1 0 351.516 2.751 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000787426445 739135842 /nfs/dbraw/zinc/13/58/42/739135842.db2.gz YQTDOKXDDPVEOL-LEWSCRJBSA-N 1 0 353.260 2.549 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CCc3sc(C[NH3+])nc3C2)c1 ZINC000903941990 736192211 /nfs/dbraw/zinc/19/22/11/736192211.db2.gz JNRBNKJOYNGZPT-UHFFFAOYSA-N 1 0 368.300 2.937 20 10 FFCDRO CN(C(=O)C1=CC(=O)CS1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755295257 736247762 /nfs/dbraw/zinc/24/77/62/736247762.db2.gz XAOONWLUBXKXOK-IRXDYDNUSA-N 1 0 365.543 2.863 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F ZINC000905062681 736290970 /nfs/dbraw/zinc/29/09/70/736290970.db2.gz NJJSZRUNWDLSSR-AWEZNQCLSA-N 1 0 368.346 2.561 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000756523627 736338467 /nfs/dbraw/zinc/33/84/67/736338467.db2.gz CYHGDQMLZMPTAJ-CJNGLKHVSA-N 1 0 353.894 2.639 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1O ZINC000756788170 736361403 /nfs/dbraw/zinc/36/14/03/736361403.db2.gz BMZMERSSPJMCHF-SNVBAGLBSA-N 1 0 351.248 2.862 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000758054699 736449062 /nfs/dbraw/zinc/44/90/62/736449062.db2.gz IAOZLISNVKYZLN-UHFFFAOYSA-N 1 0 360.907 2.505 20 10 FFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCSc1nccs1 ZINC000758582784 736503666 /nfs/dbraw/zinc/50/36/66/736503666.db2.gz MPQKGPQSHCJUDU-ZDUSSCGKSA-N 1 0 356.561 2.997 20 10 FFCDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC000908329601 736758807 /nfs/dbraw/zinc/75/88/07/736758807.db2.gz SJHTVGRMVQGTTP-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764751497 737046209 /nfs/dbraw/zinc/04/62/09/737046209.db2.gz QNSMKQJPNUJNRX-GJZGRUSLSA-N 1 0 354.491 2.901 20 10 FFCDRO C[C@H](NC(=O)NCc1cccc(Br)c1O)C(C)(C)C[NH+](C)C ZINC000764798863 737050986 /nfs/dbraw/zinc/05/09/86/737050986.db2.gz WLZFKXWQZGNHNY-NSHDSACASA-N 1 0 372.307 2.930 20 10 FFCDRO COc1cccc(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1O ZINC000767426841 737324539 /nfs/dbraw/zinc/32/45/39/737324539.db2.gz STPAAWCJOFSYBJ-CQSZACIVSA-N 1 0 352.228 2.987 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000770325576 737616245 /nfs/dbraw/zinc/61/62/45/737616245.db2.gz OQNWCNDGQFENFC-UHFFFAOYSA-N 1 0 362.861 2.947 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000917014324 737736399 /nfs/dbraw/zinc/73/63/99/737736399.db2.gz SJINVAFWRVQCGV-UXHICEINSA-N 1 0 350.503 2.520 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](CS(C)(=O)=O)C3)c2c1 ZINC000917466386 737759302 /nfs/dbraw/zinc/75/93/02/737759302.db2.gz UVCCQSDQGJZNMX-CQSZACIVSA-N 1 0 363.479 2.811 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000772797642 737844038 /nfs/dbraw/zinc/84/40/38/737844038.db2.gz HTBLAUDOICLYNM-LBPRGKRZSA-N 1 0 361.467 2.792 20 10 FFCDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000772986353 737861881 /nfs/dbraw/zinc/86/18/81/737861881.db2.gz VFKXPAULXLTMFY-WLYUNCDWSA-N 1 0 365.905 2.871 20 10 FFCDRO CN(C)c1cc[nH+]c(CNC(=O)NCCCSc2nccs2)c1 ZINC000921446505 737985810 /nfs/dbraw/zinc/98/58/10/737985810.db2.gz KLMYICGDTMMZDM-UHFFFAOYSA-N 1 0 351.501 2.586 20 10 FFCDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000921738250 738035511 /nfs/dbraw/zinc/03/55/11/738035511.db2.gz PLBFRFSHNIFSEB-AEFFLSMTSA-N 1 0 368.568 2.685 20 10 FFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000776870502 738240156 /nfs/dbraw/zinc/24/01/56/738240156.db2.gz VHPBQPFWBFPFON-HZUKXOBISA-N 1 0 374.275 2.626 20 10 FFCDRO CC[N@H+](Cc1[nH]nc2c1COCC2)Cc1cc(Br)ccc1O ZINC000929755595 739018732 /nfs/dbraw/zinc/01/87/32/739018732.db2.gz QAAGZNKUIXMDEG-UHFFFAOYSA-N 1 0 366.259 2.973 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@@H]1C ZINC000787420002 739135247 /nfs/dbraw/zinc/13/52/47/739135247.db2.gz BSVRYZZIDZJEOV-SKDRFNHKSA-N 1 0 358.232 2.547 20 10 FFCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793184841 739749681 /nfs/dbraw/zinc/74/96/81/739749681.db2.gz LZAIWPBUGJSIPQ-CQSZACIVSA-N 1 0 359.436 2.924 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 ZINC000934752351 739832477 /nfs/dbraw/zinc/83/24/77/739832477.db2.gz OGXQTFMYNYFZLG-XMMPIXPASA-N 1 0 352.548 2.539 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnc(Br)cn3)cc2)CC1 ZINC000795796165 740065037 /nfs/dbraw/zinc/06/50/37/740065037.db2.gz KULQWJLSNNSHOD-UHFFFAOYSA-N 1 0 362.275 2.603 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000796377528 740138171 /nfs/dbraw/zinc/13/81/71/740138171.db2.gz MIMSEWPCTLYQNQ-BLLLJJGKSA-N 1 0 352.862 2.543 20 10 FFCDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1O ZINC000797113130 740213437 /nfs/dbraw/zinc/21/34/37/740213437.db2.gz LHIAEASOOABLNM-CYBMUJFWSA-N 1 0 368.886 2.983 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000798963296 740378019 /nfs/dbraw/zinc/37/80/19/740378019.db2.gz CHLZSGYHAPEYLE-GOSISDBHSA-N 1 0 371.861 2.846 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)cc1C ZINC000801735918 740646981 /nfs/dbraw/zinc/64/69/81/740646981.db2.gz ZNFPPETXLSJPKH-INIZCTEOSA-N 1 0 362.495 2.856 20 10 FFCDRO C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809695902 741332530 /nfs/dbraw/zinc/33/25/30/741332530.db2.gz AQLZPHJIWNVIMJ-RHSMWYFYSA-N 1 0 357.420 2.590 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000809720519 741336555 /nfs/dbraw/zinc/33/65/55/741336555.db2.gz CWSQEEQRARHPLR-UWVGGRQHSA-N 1 0 352.435 2.698 20 10 FFCDRO CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000809736582 741338359 /nfs/dbraw/zinc/33/83/59/741338359.db2.gz AKQXMXDVEFNTHN-UHFFFAOYSA-N 1 0 355.885 2.644 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000809777600 741342840 /nfs/dbraw/zinc/34/28/40/741342840.db2.gz BYSHGQRMXNQLEF-CQSZACIVSA-N 1 0 351.244 2.724 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000816940450 742074913 /nfs/dbraw/zinc/07/49/13/742074913.db2.gz DIQRMBNLASROEI-GFCCVEGCSA-N 1 0 355.276 2.845 20 10 FFCDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971294 742225583 /nfs/dbraw/zinc/22/55/83/742225583.db2.gz CAKMSAQUAVFENF-RQJHMYQMSA-N 1 0 352.070 2.915 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000819241437 742359104 /nfs/dbraw/zinc/35/91/04/742359104.db2.gz CILVUGDPDHUJAZ-WMLDXEAASA-N 1 0 351.491 2.631 20 10 FFCDRO CS[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000821893106 742676316 /nfs/dbraw/zinc/67/63/16/742676316.db2.gz CUGNZSPSQPOZPO-LSDHHAIUSA-N 1 0 361.471 2.501 20 10 FFCDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2O)CN1 ZINC000824948461 743183945 /nfs/dbraw/zinc/18/39/45/743183945.db2.gz FMRRYQCDHAJGLK-OCCSQVGLSA-N 1 0 353.260 2.645 20 10 FFCDRO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000825811409 743330396 /nfs/dbraw/zinc/33/03/96/743330396.db2.gz GTBYJQXHQSWFIF-LLVKDONJSA-N 1 0 363.259 2.907 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(Br)cc1O)C[C@H]1CCCO1 ZINC000825910321 743342171 /nfs/dbraw/zinc/34/21/71/743342171.db2.gz GAGBZUPYRSSJJW-OAHLLOKOSA-N 1 0 357.292 2.697 20 10 FFCDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826535417 743391562 /nfs/dbraw/zinc/39/15/62/743391562.db2.gz WMUVMAGEPRCWFQ-HNNXBMFYSA-N 1 0 367.287 2.891 20 10 FFCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000826958705 743479198 /nfs/dbraw/zinc/47/91/98/743479198.db2.gz SBYWMMUTFNEGCJ-ZWKOTPCHSA-N 1 0 360.479 2.805 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133345 743515987 /nfs/dbraw/zinc/51/59/87/743515987.db2.gz SYQCQWJMIPNZOM-RISCZKNCSA-N 1 0 353.260 2.564 20 10 FFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827319996 743554765 /nfs/dbraw/zinc/55/47/65/743554765.db2.gz CAZAQJAEWOVWGK-LJQANCHMSA-N 1 0 355.507 2.864 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCCCC[NH3+])cc2F)C[C@H](C)O1 ZINC000827363989 743563651 /nfs/dbraw/zinc/56/36/51/743563651.db2.gz CEMZFGOWMNHGON-GASCZTMLSA-N 1 0 351.466 2.575 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@](C)(C(F)F)O1 ZINC000827955260 745007392 /nfs/dbraw/zinc/00/73/92/745007392.db2.gz CMUWLJAUHCKPJG-BEFAXECRSA-N 1 0 353.457 2.683 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3CCO)cc2)CC1 ZINC000828047157 745021266 /nfs/dbraw/zinc/02/12/66/745021266.db2.gz HCKOMXJTVHOXNB-SFHVURJKSA-N 1 0 350.528 2.602 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1F ZINC000829039391 745159122 /nfs/dbraw/zinc/15/91/22/745159122.db2.gz YYPNBEUGCLXMQN-UHFFFAOYSA-N 1 0 351.466 2.575 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000830783530 745429736 /nfs/dbraw/zinc/42/97/36/745429736.db2.gz LWHAXMMLMMEXNA-HNNXBMFYSA-N 1 0 358.511 2.730 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000832272306 745669835 /nfs/dbraw/zinc/66/98/35/745669835.db2.gz FBPHGETWGZSZEJ-OALUTQOASA-N 1 0 355.507 2.899 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000832293616 745673690 /nfs/dbraw/zinc/67/36/90/745673690.db2.gz YYKVOAQWPMHCBN-MRXNPFEDSA-N 1 0 365.836 2.740 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834851479 745914554 /nfs/dbraw/zinc/91/45/54/745914554.db2.gz YAQVOBVFOQXRPE-GXTWGEPZSA-N 1 0 357.292 2.652 20 10 FFCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834880669 745918183 /nfs/dbraw/zinc/91/81/83/745918183.db2.gz BCFAPOBEVHNOPV-SPYBWZPUSA-N 1 0 368.905 2.879 20 10 FFCDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834880666 745918286 /nfs/dbraw/zinc/91/82/86/745918286.db2.gz BCFAPOBEVHNOPV-QMTMVMCOSA-N 1 0 368.905 2.879 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000834886190 745919282 /nfs/dbraw/zinc/91/92/82/745919282.db2.gz AFKFZYOHJSMAAW-AEGPPILISA-N 1 0 369.303 2.977 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835028961 745933372 /nfs/dbraw/zinc/93/33/72/745933372.db2.gz OCBJTCICGXCTRJ-SREVYHEPSA-N 1 0 365.543 2.512 20 10 FFCDRO C[S@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838961602 746745881 /nfs/dbraw/zinc/74/58/81/746745881.db2.gz KUBSGBIABOUMIK-FQEVSTJZSA-N 1 0 359.333 2.908 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000839146103 746788102 /nfs/dbraw/zinc/78/81/02/746788102.db2.gz WLKBPOYJVBTKAR-OAHLLOKOSA-N 1 0 352.425 2.993 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000840118353 747008978 /nfs/dbraw/zinc/00/89/78/747008978.db2.gz LYXVGVOXTAIRNO-SFHVURJKSA-N 1 0 351.349 2.534 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840953579 747241620 /nfs/dbraw/zinc/24/16/20/747241620.db2.gz VLFYLNVRKGODSX-UHFFFAOYSA-N 1 0 368.886 2.942 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000840975518 747248859 /nfs/dbraw/zinc/24/88/59/747248859.db2.gz HQQGHNYRNKNYCU-CYBMUJFWSA-N 1 0 371.275 2.652 20 10 FFCDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706536 747436807 /nfs/dbraw/zinc/43/68/07/747436807.db2.gz HHKWSBQMRWSAIZ-HNNXBMFYSA-N 1 0 350.532 2.557 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841758619 747451655 /nfs/dbraw/zinc/45/16/55/747451655.db2.gz UDCGDIZMDJYQFZ-IINYFYTJSA-N 1 0 352.784 2.959 20 10 FFCDRO CCCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC[NH2+]CC1 ZINC000841848620 747475635 /nfs/dbraw/zinc/47/56/35/747475635.db2.gz SHJVFBCAKMACGU-UHFFFAOYSA-N 1 0 358.511 2.920 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000841894681 747483554 /nfs/dbraw/zinc/48/35/54/747483554.db2.gz BXEJSIKTXHLGOA-UHFFFAOYSA-N 1 0 350.459 2.552 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC/C=C\C[NH3+])cc2Cl)C1 ZINC000841895239 747483984 /nfs/dbraw/zinc/48/39/84/747483984.db2.gz ACCJWFFYBVQBKJ-SFAKSCPVSA-N 1 0 350.894 2.890 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2Cl)C1 ZINC000841895858 747484225 /nfs/dbraw/zinc/48/42/25/747484225.db2.gz GTNPCPMRGPKAID-UKRRQHHQSA-N 1 0 350.894 2.819 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842720342 747668286 /nfs/dbraw/zinc/66/82/86/747668286.db2.gz FVWYBVYRZNHQLG-LBPRGKRZSA-N 1 0 371.275 2.652 20 10 FFCDRO Cc1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000842784401 747686556 /nfs/dbraw/zinc/68/65/56/747686556.db2.gz JFMLPSVQXUXRHM-OAHLLOKOSA-N 1 0 367.902 2.693 20 10 FFCDRO CC(C)c1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842785085 747687481 /nfs/dbraw/zinc/68/74/81/747687481.db2.gz OIYKAFDQONGFQS-LJQANCHMSA-N 1 0 361.511 2.854 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000844400022 748020789 /nfs/dbraw/zinc/02/07/89/748020789.db2.gz SPTSBXIGYDXJPH-HNNXBMFYSA-N 1 0 361.511 2.830 20 10 FFCDRO COc1c(O)c(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000846015057 748382818 /nfs/dbraw/zinc/38/28/18/748382818.db2.gz VTBDNLFTFFQTEP-MEBBXXQBSA-N 1 0 350.346 2.660 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1O ZINC000846145359 748415078 /nfs/dbraw/zinc/41/50/78/748415078.db2.gz NNEHBDBCKQBUFI-NEPJUHHUSA-N 1 0 353.365 2.770 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1O ZINC000846166779 748418686 /nfs/dbraw/zinc/41/86/86/748418686.db2.gz CMYBORZXNHBKOL-OAHLLOKOSA-N 1 0 363.479 2.709 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846184356 748425677 /nfs/dbraw/zinc/42/56/77/748425677.db2.gz KZYNATFFIDUKDR-GOEBONIOSA-N 1 0 369.506 2.501 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCSCCCO)c1O ZINC000848529250 748950495 /nfs/dbraw/zinc/95/04/95/748950495.db2.gz TUQXKCLYKGUEEZ-JTQLQIEISA-N 1 0 364.305 2.930 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CCO)CSC)c1O ZINC000848528743 748950693 /nfs/dbraw/zinc/95/06/93/748950693.db2.gz NVKSPSMAKRTROC-ONGXEEELSA-N 1 0 364.305 2.928 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccnn2C)c1O ZINC000848545154 748955163 /nfs/dbraw/zinc/95/51/63/748955163.db2.gz AJLUCUQHCHUAKH-JTQLQIEISA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000848549447 748957498 /nfs/dbraw/zinc/95/74/98/748957498.db2.gz OYVPBMASKTWXDN-GWNMQOMSSA-N 1 0 362.289 2.725 20 10 FFCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551722 748958224 /nfs/dbraw/zinc/95/82/24/748958224.db2.gz CGSXVASZGLZQQM-MRCXROJRSA-N 1 0 360.248 2.618 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000848595230 748969790 /nfs/dbraw/zinc/96/97/90/748969790.db2.gz JOIPYLWJCRSVHY-HNNXBMFYSA-N 1 0 358.408 2.612 20 10 FFCDRO COc1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850244277 749327257 /nfs/dbraw/zinc/32/72/57/749327257.db2.gz WIHKQNRZZFPYJP-OAHLLOKOSA-N 1 0 355.500 2.755 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([S@@](C)=O)C3)CC2)cc1 ZINC000850357100 749351018 /nfs/dbraw/zinc/35/10/18/749351018.db2.gz XXZCXENZEYBTHB-LNZPYGSCSA-N 1 0 350.528 2.943 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cscc3Cl)cc2)CC1 ZINC000850355338 749351186 /nfs/dbraw/zinc/35/11/86/749351186.db2.gz FCJIQMRYWTVXFZ-UHFFFAOYSA-N 1 0 370.927 2.926 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC000850505924 749377386 /nfs/dbraw/zinc/37/73/86/749377386.db2.gz DCNFWADGEPPDOI-MDZRGWNJSA-N 1 0 350.528 2.836 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000852413426 749854907 /nfs/dbraw/zinc/85/49/07/749854907.db2.gz VSXRIWXFSJVZEJ-LBPRGKRZSA-N 1 0 370.291 2.827 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000385498777 845827968 /nfs/dbraw/zinc/82/79/68/845827968.db2.gz YVRFHQASAIDVIX-CABCVRRESA-N 1 0 350.459 2.987 20 10 FFCDRO Cc1ccncc1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895697924 970871952 /nfs/dbraw/zinc/87/19/52/970871952.db2.gz BHRHPTBWVVYESG-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3O)cc2)CC1 ZINC000895815019 970981322 /nfs/dbraw/zinc/98/13/22/970981322.db2.gz XCFJNNHNFAYRBC-UHFFFAOYSA-N 1 0 357.429 2.523 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275836764 1013056132 /nfs/dbraw/zinc/05/61/32/1013056132.db2.gz GLHFERDXAXEHOB-IFXJQAMLSA-N 1 0 366.889 2.895 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(F)ccc1O ZINC000186076113 971336548 /nfs/dbraw/zinc/33/65/48/971336548.db2.gz ZDTQKJJBLRKCSP-GDBMZVCRSA-N 1 0 358.413 2.862 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)[NH+](C)C)cc1 ZINC000896674812 971663493 /nfs/dbraw/zinc/66/34/93/971663493.db2.gz RUMUORRCTIDUMT-NUEKZKHPSA-N 1 0 372.435 2.853 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000311293931 971800332 /nfs/dbraw/zinc/80/03/32/971800332.db2.gz CAWMRSQBQCBEGP-HNNXBMFYSA-N 1 0 366.458 2.516 20 10 FFCDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2O)c1 ZINC001205917135 1032066438 /nfs/dbraw/zinc/06/64/38/1032066438.db2.gz IBHMEYHMYCPICQ-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1C ZINC001020415007 959048258 /nfs/dbraw/zinc/04/82/58/959048258.db2.gz WLLSOHGTXVSIGY-MLYOOKFZSA-N 1 0 358.482 2.556 20 10 FFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001275951679 1013221244 /nfs/dbraw/zinc/22/12/44/1013221244.db2.gz NOSUXVBJGXVWGL-WOJBJXKFSA-N 1 0 359.514 2.663 20 10 FFCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000872640129 1013242007 /nfs/dbraw/zinc/24/20/07/1013242007.db2.gz ARSWCDAERMPMJF-UHFFFAOYSA-N 1 0 368.433 2.824 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC000872660088 1013245043 /nfs/dbraw/zinc/24/50/43/1013245043.db2.gz VVWLXZSMOOGGSW-JSGCOSHPSA-N 1 0 366.458 2.897 20 10 FFCDRO Cc1[nH]c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1C=O ZINC000891246076 962564092 /nfs/dbraw/zinc/56/40/92/962564092.db2.gz LWEMNVCXYIMTHR-SFHVURJKSA-N 1 0 356.470 2.543 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3oc(=O)[nH]c3c2)[NH+](C)C)cc1 ZINC000891246218 962565358 /nfs/dbraw/zinc/56/53/58/962565358.db2.gz AOEHLXCTUFHEGX-QGZVFWFLSA-N 1 0 368.437 2.632 20 10 FFCDRO COc1cccc([C@@H](O)C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873048712 1013363058 /nfs/dbraw/zinc/36/30/58/1013363058.db2.gz JDVWVHZHWWCTHR-FQEVSTJZSA-N 1 0 367.449 2.772 20 10 FFCDRO COCc1nc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167423331 963014422 /nfs/dbraw/zinc/01/44/22/963014422.db2.gz VVZJBDLQDYPUNG-UHFFFAOYSA-N 1 0 361.877 2.640 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1Cn1cccn1 ZINC000873147333 1013403143 /nfs/dbraw/zinc/40/31/43/1013403143.db2.gz UIMUNCNVEWZJAI-INIZCTEOSA-N 1 0 359.470 2.819 20 10 FFCDRO CN1CC2(CCC1=O)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001276076878 1013407636 /nfs/dbraw/zinc/40/76/36/1013407636.db2.gz JNYXDPMWANJKLK-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc(CS(C)(=O)=O)c3)cc2)CC1 ZINC001167436821 963261814 /nfs/dbraw/zinc/26/18/14/963261814.db2.gz AVZWLQKUCQVYJY-UHFFFAOYSA-N 1 0 373.522 2.595 20 10 FFCDRO Cc1nc2c(ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2C)[nH]1 ZINC001167437363 963271844 /nfs/dbraw/zinc/27/18/44/963271844.db2.gz RYSNQSUSPJIUIA-UHFFFAOYSA-N 1 0 350.470 2.939 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000873293226 1013465395 /nfs/dbraw/zinc/46/53/95/1013465395.db2.gz JEXFENWHHCMRTR-HXUWFJFHSA-N 1 0 351.494 2.968 20 10 FFCDRO [NH3+][C@H](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000891588473 964520042 /nfs/dbraw/zinc/52/00/42/964520042.db2.gz CSFIKCONLSCBBL-HXUWFJFHSA-N 1 0 364.493 2.822 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2c(Br)cnn2C)c1O ZINC000693472061 964904859 /nfs/dbraw/zinc/90/48/59/964904859.db2.gz FLRHJWYOWULSQN-UHFFFAOYSA-N 1 0 360.639 2.840 20 10 FFCDRO COC(=O)c1c(C[N@H+](C)CCc2cnccn2)c2cc(F)ccc2n1C ZINC000894424966 965362347 /nfs/dbraw/zinc/36/23/47/965362347.db2.gz OTDAHBSDOXBNSE-UHFFFAOYSA-N 1 0 356.401 2.569 20 10 FFCDRO OCC[N@H+](CCc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093389687 965454072 /nfs/dbraw/zinc/45/40/72/965454072.db2.gz BDJUYBCTYLVBAT-UHFFFAOYSA-N 1 0 358.457 2.699 20 10 FFCDRO COC[C@@]1(C[NH2+]Cc2cc(C)cc(OC)c2O)OCCc2ccccc21 ZINC000894790276 965689298 /nfs/dbraw/zinc/68/92/98/965689298.db2.gz PEXCFPIFFVSCOK-OAQYLSRUSA-N 1 0 357.450 2.913 20 10 FFCDRO COCCOCN1CCC2(C1)CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001279234899 967063912 /nfs/dbraw/zinc/06/39/12/967063912.db2.gz IEHJBXYFCYVPME-UHFFFAOYSA-N 1 0 362.514 2.917 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cccnn2)cc1C ZINC001087229118 967085531 /nfs/dbraw/zinc/08/55/31/967085531.db2.gz DSCBFGGDHHYJLU-QAPCUYQASA-N 1 0 368.481 2.824 20 10 FFCDRO Cc1[nH+]c2cc(NCc3ccc(N(C)C)cc3C)ccc2n1C(CO)CO ZINC000894916927 967096883 /nfs/dbraw/zinc/09/68/83/967096883.db2.gz BUAALFVLPKLEKF-UHFFFAOYSA-N 1 0 368.481 2.857 20 10 FFCDRO C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000729498417 967369342 /nfs/dbraw/zinc/36/93/42/967369342.db2.gz LEPJWNKVRJZZKQ-KRWDZBQOSA-N 1 0 374.529 2.758 20 10 FFCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000874099706 1013758410 /nfs/dbraw/zinc/75/84/10/1013758410.db2.gz BNFSZTGPBLDHPK-UHFFFAOYSA-N 1 0 367.449 2.715 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000066080428 969260225 /nfs/dbraw/zinc/26/02/25/969260225.db2.gz BNXKTPKWYWQKKT-AWEZNQCLSA-N 1 0 370.449 2.810 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000177808296 969347870 /nfs/dbraw/zinc/34/78/70/969347870.db2.gz SXQDRZXMOQSNIO-IAGOWNOFSA-N 1 0 372.513 2.542 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)CC2)cc1 ZINC000892675125 969791332 /nfs/dbraw/zinc/79/13/32/969791332.db2.gz VEMNMJOLYBZSBI-VQTJNVASSA-N 1 0 372.513 2.542 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)[C@H](C)C1 ZINC000875301256 1014007747 /nfs/dbraw/zinc/00/77/47/1014007747.db2.gz PSXWCQAERNRCLY-QAPCUYQASA-N 1 0 361.486 2.554 20 10 FFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC000895495036 970672323 /nfs/dbraw/zinc/67/23/23/970672323.db2.gz AERLGVJSRFFHCF-INIZCTEOSA-N 1 0 372.421 2.701 20 10 FFCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCc2ccccc21 ZINC000066906369 974777821 /nfs/dbraw/zinc/77/78/21/974777821.db2.gz WEEULJLYWGAASV-QFIPXVFZSA-N 1 0 352.478 2.837 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)ccc21 ZINC000644823200 975222968 /nfs/dbraw/zinc/22/29/68/975222968.db2.gz ZJEURUJATNHRDS-XLIONFOSSA-N 1 0 355.482 2.681 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000005097755 975813655 /nfs/dbraw/zinc/81/36/55/975813655.db2.gz BCZKXGKEPIORPK-GOSISDBHSA-N 1 0 356.426 2.694 20 10 FFCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876771354 1014385897 /nfs/dbraw/zinc/38/58/97/1014385897.db2.gz XRMUKMXPFVJCNC-UXHICEINSA-N 1 0 373.541 2.869 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000796581482 1014391762 /nfs/dbraw/zinc/39/17/62/1014391762.db2.gz QTVKTQMBBDJPKB-HXUWFJFHSA-N 1 0 357.429 2.613 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1n1ccnc1 ZINC000876807982 1014398349 /nfs/dbraw/zinc/39/83/49/1014398349.db2.gz MGFINDFBTGHZNY-LAUBAEHRSA-N 1 0 354.498 2.927 20 10 FFCDRO Cc1cc(C(=O)NCCN2CCOC[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000729384913 978269262 /nfs/dbraw/zinc/26/92/62/978269262.db2.gz GTDCEILLUBPCAA-HNNXBMFYSA-N 1 0 359.445 2.684 20 10 FFCDRO Cc1cc(C(=O)NCCN2CCOC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000729385044 978269795 /nfs/dbraw/zinc/26/97/95/978269795.db2.gz LSRYSBBODNUFKF-KRWDZBQOSA-N 1 0 355.482 2.853 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)c(O)c1OC ZINC000894243382 978402300 /nfs/dbraw/zinc/40/23/00/978402300.db2.gz IEECQTCLQFLDNX-YOEHRIQHSA-N 1 0 370.449 2.689 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000877145667 1014488922 /nfs/dbraw/zinc/48/89/22/1014488922.db2.gz KSIMGXIQESEJFH-KRWDZBQOSA-N 1 0 353.466 2.692 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001272003185 979515505 /nfs/dbraw/zinc/51/55/05/979515505.db2.gz UGOYRUYBBFWJIM-QWHCGFSZSA-N 1 0 358.360 2.587 20 10 FFCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877464176 1014592329 /nfs/dbraw/zinc/59/23/29/1014592329.db2.gz HPOUPYVPLHELAT-FQEVSTJZSA-N 1 0 354.494 2.649 20 10 FFCDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C[C@H](C)O2 ZINC000877493491 1014598663 /nfs/dbraw/zinc/59/86/63/1014598663.db2.gz CMVNKPKKJQUSTI-KGVIQGDOSA-N 1 0 374.525 2.806 20 10 FFCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877522475 1014611367 /nfs/dbraw/zinc/61/13/67/1014611367.db2.gz FYFVQAPYWDGNDZ-SANMLTNESA-N 1 0 372.534 2.816 20 10 FFCDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000871882926 979982697 /nfs/dbraw/zinc/98/26/97/979982697.db2.gz XDOVMXOTQBDSNT-HXUWFJFHSA-N 1 0 353.466 2.662 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000877538438 1014618158 /nfs/dbraw/zinc/61/81/58/1014618158.db2.gz COWOKCKDQXYWKO-PKTZIBPZSA-N 1 0 366.505 2.904 20 10 FFCDRO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877588542 1014636736 /nfs/dbraw/zinc/63/67/36/1014636736.db2.gz SAGCYXUMRJZPEX-YADHBBJMSA-N 1 0 352.478 2.956 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@H](O)c1ccccc1 ZINC000905051391 980372119 /nfs/dbraw/zinc/37/21/19/980372119.db2.gz CGCRQYHFZSEABA-SFTDATJTSA-N 1 0 372.534 2.814 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000897406281 980409209 /nfs/dbraw/zinc/40/92/09/980409209.db2.gz PVIVBJHQPHNLFC-UHFFFAOYSA-N 1 0 362.470 2.994 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000897409295 980425474 /nfs/dbraw/zinc/42/54/74/980425474.db2.gz JJZYFPJDLLUZQA-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000877643589 1014658208 /nfs/dbraw/zinc/65/82/08/1014658208.db2.gz FUJJMQHMVHGNCC-UHFFFAOYSA-N 1 0 368.481 2.707 20 10 FFCDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877696887 1014690297 /nfs/dbraw/zinc/69/02/97/1014690297.db2.gz ADTLDHIQHQCUPM-JOCHJYFZSA-N 1 0 372.484 2.870 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(c3cc(C(=O)OC)on3)CC2)c(O)c1 ZINC000877703814 1014692834 /nfs/dbraw/zinc/69/28/34/1014692834.db2.gz DYNBTTVPVXIYBI-UHFFFAOYSA-N 1 0 360.410 2.945 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000841947073 982455772 /nfs/dbraw/zinc/45/57/72/982455772.db2.gz CJCWLJPTMBQALD-HXUWFJFHSA-N 1 0 368.481 2.617 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000842016540 982577451 /nfs/dbraw/zinc/57/74/51/982577451.db2.gz XNUWFGRDUNUSQE-OKZBNKHCSA-N 1 0 356.514 2.815 20 10 FFCDRO COc1ccc(C[N@H+](CCCO)Cc2ccc(OC)c(OC)c2O)cc1 ZINC000898173859 982634011 /nfs/dbraw/zinc/63/40/11/982634011.db2.gz UDPQLSYTQIIKDH-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000898277159 982664590 /nfs/dbraw/zinc/66/45/90/982664590.db2.gz VRKYNXBUGZFESQ-UHFFFAOYSA-N 1 0 354.429 2.908 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000126952045 1014897054 /nfs/dbraw/zinc/89/70/54/1014897054.db2.gz VTSJFLFMLCRUKS-ROUUACIJSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000054570290 982997033 /nfs/dbraw/zinc/99/70/33/982997033.db2.gz WHJRFUCYXWVYTB-UHFFFAOYSA-N 1 0 356.422 2.842 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCCCC1)C[C@H]1CCCO1 ZINC000878240588 1014941430 /nfs/dbraw/zinc/94/14/30/1014941430.db2.gz IPZWIFIDYQWSEJ-RBUKOAKNSA-N 1 0 363.498 2.819 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1 ZINC000911668227 983863912 /nfs/dbraw/zinc/86/39/12/983863912.db2.gz WQKTVJPJFNNLNS-OAHLLOKOSA-N 1 0 366.387 2.525 20 10 FFCDRO C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728548 983998871 /nfs/dbraw/zinc/99/88/71/983998871.db2.gz MVRNXXBHSGEHLT-PKOBYXMFSA-N 1 0 372.557 2.611 20 10 FFCDRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878357653 1015001842 /nfs/dbraw/zinc/00/18/42/1015001842.db2.gz DVHFFBWSCXCIFB-CQSZACIVSA-N 1 0 373.419 2.585 20 10 FFCDRO CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCCC1 ZINC000912709616 984094580 /nfs/dbraw/zinc/09/45/80/984094580.db2.gz QHWBECWBYRJAGW-UHFFFAOYSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C2CC2)cc1C ZINC001483589700 984169590 /nfs/dbraw/zinc/16/95/90/984169590.db2.gz RFWPOWAPHUSMEY-MLYOOKFZSA-N 1 0 358.482 2.556 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CCCC1 ZINC000156357962 984325299 /nfs/dbraw/zinc/32/52/99/984325299.db2.gz PATBUFAGDDVBJK-UHFFFAOYSA-N 1 0 356.514 2.960 20 10 FFCDRO C[NH+](C)[C@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000764424907 984485764 /nfs/dbraw/zinc/48/57/64/984485764.db2.gz IALLIKLQEJOZQV-OAQYLSRUSA-N 1 0 367.493 2.832 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000057646531 984512281 /nfs/dbraw/zinc/51/22/81/984512281.db2.gz BHHZBNOQZGFPAA-IBGZPJMESA-N 1 0 358.461 2.994 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)cc(OC)c1OC ZINC000761220111 984925232 /nfs/dbraw/zinc/92/52/32/984925232.db2.gz UWKSQICASOGHBB-CVEARBPZSA-N 1 0 364.486 2.650 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)c2c1 ZINC000129917427 984998145 /nfs/dbraw/zinc/99/81/45/984998145.db2.gz HIDJXHLYQRXAFH-UHFFFAOYSA-N 1 0 354.450 2.998 20 10 FFCDRO C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000172635027 985632883 /nfs/dbraw/zinc/63/28/83/985632883.db2.gz DJTZBIWWHPKARL-OAGGEKHMSA-N 1 0 363.477 2.540 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000186198193 985678056 /nfs/dbraw/zinc/67/80/56/985678056.db2.gz SZSZIXMWULALAH-ZIAGYGMSSA-N 1 0 353.422 2.850 20 10 FFCDRO COc1ccc([C@H]2C[C@H]([NH2+]CC(=O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168606365 985788358 /nfs/dbraw/zinc/78/83/58/985788358.db2.gz GEFGPVRHDGLTMP-FOIQADDNSA-N 1 0 357.406 2.799 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000174447247 986213985 /nfs/dbraw/zinc/21/39/85/986213985.db2.gz VMZXSWMDULUEFP-SFHVURJKSA-N 1 0 358.530 2.942 20 10 FFCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232975266 986350338 /nfs/dbraw/zinc/35/03/38/986350338.db2.gz YJICOBYGVLWKGS-AWEZNQCLSA-N 1 0 361.223 2.734 20 10 FFCDRO COCCC[N@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000152424054 987203640 /nfs/dbraw/zinc/20/36/40/987203640.db2.gz NSLVYWQIYWKEKX-UHFFFAOYSA-N 1 0 373.497 2.801 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cnc1N1CCOCC1 ZINC000921999551 987480445 /nfs/dbraw/zinc/48/04/45/987480445.db2.gz KMOLYAGYCAIJFX-UHFFFAOYSA-N 1 0 357.429 2.672 20 10 FFCDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000914687194 987855887 /nfs/dbraw/zinc/85/58/87/987855887.db2.gz DPHXEDUHEWEYDS-UHFFFAOYSA-N 1 0 372.488 2.553 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000914789704 987913193 /nfs/dbraw/zinc/91/31/93/987913193.db2.gz CWZPCGYUJFIUOB-HKUYNNGSSA-N 1 0 359.514 2.854 20 10 FFCDRO CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922227175 988199946 /nfs/dbraw/zinc/19/99/46/988199946.db2.gz SBOLYWVRQWCJLH-DYESRHJHSA-N 1 0 368.481 2.899 20 10 FFCDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978836 988267549 /nfs/dbraw/zinc/26/75/49/988267549.db2.gz PUQMSPDUNDPJON-KKSFZXQISA-N 1 0 370.518 2.945 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)CC1 ZINC000922338230 988448388 /nfs/dbraw/zinc/44/83/88/988448388.db2.gz IURSTIGOSVEEMR-UHFFFAOYSA-N 1 0 367.497 2.600 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)c1O ZINC000922406872 988584026 /nfs/dbraw/zinc/58/40/26/988584026.db2.gz NMDFPRBGNBYMGD-UKRRQHHQSA-N 1 0 360.458 2.516 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1 ZINC000922496562 988639568 /nfs/dbraw/zinc/63/95/68/988639568.db2.gz JEBUCMJNJRCLJW-SREVYHEPSA-N 1 0 356.470 2.573 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000922789005 988902329 /nfs/dbraw/zinc/90/23/29/988902329.db2.gz RNIHJPCRPYZTJT-OSYLJGHBSA-N 1 0 362.470 2.993 20 10 FFCDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090546 989841380 /nfs/dbraw/zinc/84/13/80/989841380.db2.gz CJXXYQGVOLWWPM-NQIIRXRSSA-N 1 0 373.541 2.992 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CC(=O)NCCOc2ccccc2)C2CC2)cc1 ZINC000917073868 990116137 /nfs/dbraw/zinc/11/61/37/990116137.db2.gz FGLOEDYXFZIWLN-UHFFFAOYSA-N 1 0 367.493 2.912 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000917072913 990119455 /nfs/dbraw/zinc/11/94/55/990119455.db2.gz GWIQZFHCHLPLJH-UHFFFAOYSA-N 1 0 371.456 2.904 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000917215721 990176583 /nfs/dbraw/zinc/17/65/83/990176583.db2.gz ZLOVKVSQJJUZFS-UHFFFAOYSA-N 1 0 366.509 2.581 20 10 FFCDRO Oc1c(CNc2cnc(O[C@H]3CC[NH2+]C3)nc2)cc(Cl)c2cccnc12 ZINC001168523164 990204667 /nfs/dbraw/zinc/20/46/67/990204667.db2.gz LDWXGLUXRIEXFD-ZDUSSCGKSA-N 1 0 371.828 2.737 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000920872401 990929788 /nfs/dbraw/zinc/92/97/88/990929788.db2.gz FBIWLTQMOYZAEV-MSOLQXFVSA-N 1 0 374.529 2.615 20 10 FFCDRO CCC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1O ZINC000068973636 991552946 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FFCDRO CN(C)c1ccc(CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C2CC2)cc1 ZINC000747558280 994504493 /nfs/dbraw/zinc/50/44/93/994504493.db2.gz UJESQDVGKSCIQQ-UHFFFAOYSA-N 1 0 370.501 2.707 20 10 FFCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000809725796 994582432 /nfs/dbraw/zinc/58/24/32/994582432.db2.gz BAQNIZIEXZFVEB-OAHLLOKOSA-N 1 0 366.458 2.900 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)c1O ZINC000809740694 994599782 /nfs/dbraw/zinc/59/97/82/994599782.db2.gz ASIUEWCJTDYNSJ-AWEZNQCLSA-N 1 0 358.438 2.837 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000809941017 994643777 /nfs/dbraw/zinc/64/37/77/994643777.db2.gz VEPTVIRDKSFUJP-FQEVSTJZSA-N 1 0 363.477 2.556 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)OC1CCOCC1 ZINC000810060186 994694712 /nfs/dbraw/zinc/69/47/12/994694712.db2.gz MZOGDZFQHIRVIW-UHFFFAOYSA-N 1 0 373.497 2.624 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)cc1C ZINC001082475815 994708316 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20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)C1 ZINC000824084719 996791961 /nfs/dbraw/zinc/79/19/61/996791961.db2.gz HRPVNEMISBJDLS-KRWDZBQOSA-N 1 0 364.449 2.819 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874826 996936347 /nfs/dbraw/zinc/93/63/47/996936347.db2.gz UEVVHJVCKADKIZ-UWJYYQICSA-N 1 0 368.525 2.767 20 10 FFCDRO CCc1noc(C)c1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730192913 996956007 /nfs/dbraw/zinc/95/60/07/996956007.db2.gz QBVQIKKENDICDT-UHFFFAOYSA-N 1 0 374.460 2.756 20 10 FFCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824681730 997050243 /nfs/dbraw/zinc/05/02/43/997050243.db2.gz OLCXQIYDRJLXKO-ROUUACIJSA-N 1 0 374.529 2.647 20 10 FFCDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)CC2 ZINC000824889226 997143496 /nfs/dbraw/zinc/14/34/96/997143496.db2.gz NQFVKMSWORMMSL-UHFFFAOYSA-N 1 0 371.481 2.833 20 10 FFCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1n1cccn1 ZINC000825118546 997219819 /nfs/dbraw/zinc/21/98/19/997219819.db2.gz UJLKOKVMKQHEQR-FSPWUOQZSA-N 1 0 359.426 2.604 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000844166362 997689871 /nfs/dbraw/zinc/68/98/71/997689871.db2.gz BNBATNIETLZZOF-UHFFFAOYSA-N 1 0 351.494 2.988 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000844398811 997858387 /nfs/dbraw/zinc/85/83/87/997858387.db2.gz CYBYXTUOOXETDY-UHFFFAOYSA-N 1 0 353.470 2.854 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000844400699 997860758 /nfs/dbraw/zinc/86/07/58/997860758.db2.gz GYYKQBUAAHCOMF-UHFFFAOYSA-N 1 0 366.465 2.580 20 10 FFCDRO CN(C(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000731451215 997943777 /nfs/dbraw/zinc/94/37/77/997943777.db2.gz DHQWWUSTCGUBNC-UHFFFAOYSA-N 1 0 353.466 2.666 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000844522580 997950501 /nfs/dbraw/zinc/95/05/01/997950501.db2.gz TUUDHTBNXQRHRX-KRWDZBQOSA-N 1 0 362.518 2.503 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000844852966 998196720 /nfs/dbraw/zinc/19/67/20/998196720.db2.gz BFQKZTCYQRJFOW-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1cccc(O)c1)cc2=O ZINC000731845793 998272164 /nfs/dbraw/zinc/27/21/64/998272164.db2.gz FQIPVGDFZHRWSH-GFCCVEGCSA-N 1 0 370.409 2.510 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c(O)c1 ZINC001144499175 998608665 /nfs/dbraw/zinc/60/86/65/998608665.db2.gz DACRJBLEWIEZFL-UHFFFAOYSA-N 1 0 369.343 2.539 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001144500048 998608855 /nfs/dbraw/zinc/60/88/55/998608855.db2.gz NWGMAULGMGBVMD-CHWSQXEVSA-N 1 0 366.458 2.786 20 10 FFCDRO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499550 998609034 /nfs/dbraw/zinc/60/90/34/998609034.db2.gz IGRWEIUYVVGMHU-QWHCGFSZSA-N 1 0 366.458 2.929 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144503666 998612450 /nfs/dbraw/zinc/61/24/50/998612450.db2.gz AECCZZYXTIAERV-UHFFFAOYSA-N 1 0 364.442 2.636 20 10 FFCDRO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4c(O)cc(O)cc4O)C[C@H]3O2)n1 ZINC001144510292 998623802 /nfs/dbraw/zinc/62/38/02/998623802.db2.gz WSGZJSAGRBJYSW-YMRXKLBXSA-N 1 0 362.451 2.920 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144514788 998625925 /nfs/dbraw/zinc/62/59/25/998625925.db2.gz RYLFUUCRYYCAMG-DPIQGUFMSA-N 1 0 364.442 2.539 20 10 FFCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001144515448 998627463 /nfs/dbraw/zinc/62/74/63/998627463.db2.gz OWZBHDRYSMAULW-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000732456406 998671173 /nfs/dbraw/zinc/67/11/73/998671173.db2.gz PWJYSECNTZEZEY-PKOBYXMFSA-N 1 0 374.529 2.756 20 10 FFCDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000826947057 1016242941 /nfs/dbraw/zinc/24/29/41/1016242941.db2.gz MYTBJUZXJNZRML-LJQANCHMSA-N 1 0 363.458 2.558 20 10 FFCDRO CCN(CC)c1ccc(CN(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000734058569 999186577 /nfs/dbraw/zinc/18/65/77/999186577.db2.gz SCDKVYWWCQVOGY-UHFFFAOYSA-N 1 0 374.573 2.954 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734671003 999315981 /nfs/dbraw/zinc/31/59/81/999315981.db2.gz NLYGTWDVFSTYFD-FQEVSTJZSA-N 1 0 374.529 2.504 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H](C(=O)OC)C2)c1O ZINC000738054539 999616912 /nfs/dbraw/zinc/61/69/12/999616912.db2.gz BZTYXKKHUWGQAB-AWEZNQCLSA-N 1 0 357.406 2.717 20 10 FFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000738991485 999637584 /nfs/dbraw/zinc/63/75/84/999637584.db2.gz XMRRQCDGYRKSJA-YLJYHZDGSA-N 1 0 374.529 2.566 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)C[C@H]3C)cc2F)CC1 ZINC000741087497 999706792 /nfs/dbraw/zinc/70/67/92/999706792.db2.gz YLGXYXYGGSNPEA-HZPDHXFCSA-N 1 0 362.493 2.908 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3ccco3)cc2F)CC1 ZINC000741562950 999730767 /nfs/dbraw/zinc/73/07/67/999730767.db2.gz TYLCZYPPEZAIKT-OAHLLOKOSA-N 1 0 359.445 2.981 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000742940011 999793198 /nfs/dbraw/zinc/79/31/98/999793198.db2.gz OWGCCDKPMOHOEX-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000743852860 999833504 /nfs/dbraw/zinc/83/35/04/999833504.db2.gz VIJIOJQIMVXKCE-XLIONFOSSA-N 1 0 357.498 2.608 20 10 FFCDRO C[NH+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745253059 999901941 /nfs/dbraw/zinc/90/19/41/999901941.db2.gz HEUDDWKBLDZSPT-CQSZACIVSA-N 1 0 370.444 2.508 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN(C)[C@H](C)C2)C1 ZINC000767951270 1000164489 /nfs/dbraw/zinc/16/44/89/1000164489.db2.gz XJOSZLJXUDBETN-QGZVFWFLSA-N 1 0 368.525 2.570 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1N1CCCCC1 ZINC000768239645 1000195344 /nfs/dbraw/zinc/19/53/44/1000195344.db2.gz JRZMGBXYRBTFAY-UHFFFAOYSA-N 1 0 361.442 2.924 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c(F)c1 ZINC000846200551 1000229655 /nfs/dbraw/zinc/22/96/55/1000229655.db2.gz HNYCFWSJKULLNL-UHFFFAOYSA-N 1 0 357.429 2.868 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000768841215 1000366298 /nfs/dbraw/zinc/36/62/98/1000366298.db2.gz IFFGABADMXBYKK-HOTGVXAUSA-N 1 0 362.445 2.757 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN2CCC=C(c3ccccn3)C2)cc1 ZINC000846921659 1000478451 /nfs/dbraw/zinc/47/84/51/1000478451.db2.gz ACQFBQHLAZAGTC-UHFFFAOYSA-N 1 0 350.466 2.553 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cccc(I)c2[O-])CCC[C@H]1C[NH3+] ZINC001206028297 1000501347 /nfs/dbraw/zinc/50/13/47/1000501347.db2.gz YBFHTXPVXJIAAD-NEPJUHHUSA-N 1 0 374.266 2.804 20 10 FFCDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000769446402 1000522558 /nfs/dbraw/zinc/52/25/58/1000522558.db2.gz PCWGQUXIYQCLCC-UHFFFAOYSA-N 1 0 372.469 2.687 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)cc1F ZINC000770307027 1000742729 /nfs/dbraw/zinc/74/27/29/1000742729.db2.gz QKBCZHAWYMAJDM-UHFFFAOYSA-N 1 0 367.428 2.737 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000770749486 1000909195 /nfs/dbraw/zinc/90/91/95/1000909195.db2.gz KSGDYNIIYGYQFV-ZDUSSCGKSA-N 1 0 362.376 2.964 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(O)c1 ZINC000770749482 1000909526 /nfs/dbraw/zinc/90/95/26/1000909526.db2.gz KSGDYNIIYGYQFV-CYBMUJFWSA-N 1 0 362.376 2.964 20 10 FFCDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148588305 1001176627 /nfs/dbraw/zinc/17/66/27/1001176627.db2.gz RUUQFSRMHWNSNJ-UHFFFAOYSA-N 1 0 374.412 2.679 20 10 FFCDRO Cc1nc(C2(NCc3ccc(N4CC[NH+](C)CC4)cc3)CCCC2)no1 ZINC000771819589 1001218644 /nfs/dbraw/zinc/21/86/44/1001218644.db2.gz UMGIAEAYRSXNLX-UHFFFAOYSA-N 1 0 355.486 2.689 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334085 1001682474 /nfs/dbraw/zinc/68/24/74/1001682474.db2.gz GCFSSUDMJPNQLW-CDXJDZJCSA-N 1 0 365.477 2.863 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(I)cc2O)C1 ZINC001232980921 1036214688 /nfs/dbraw/zinc/21/46/88/1036214688.db2.gz YNNJMCSIPVAJSI-CQSZACIVSA-N 1 0 374.266 2.913 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(O)c1 ZINC000788505915 1001814046 /nfs/dbraw/zinc/81/40/46/1001814046.db2.gz LBJJWWKCDDDUND-OAHLLOKOSA-N 1 0 359.470 2.914 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)ccc1N1CCOCC1 ZINC000788507437 1001814795 /nfs/dbraw/zinc/81/47/95/1001814795.db2.gz NAOWHBVULAVDIO-UHFFFAOYSA-N 1 0 356.401 2.935 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000774483878 1001926575 /nfs/dbraw/zinc/92/65/75/1001926575.db2.gz QCYQYUATLLGAAI-HUUCEWRRSA-N 1 0 366.465 2.777 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000791003617 1002540315 /nfs/dbraw/zinc/54/03/15/1002540315.db2.gz ZQERPBWDQQDUSA-GOSISDBHSA-N 1 0 359.420 2.922 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C(C)(C)c1ccccc1)cc2=O ZINC000792923249 1003235095 /nfs/dbraw/zinc/23/50/95/1003235095.db2.gz DKZZUYUGJWVIOC-UHFFFAOYSA-N 1 0 368.437 2.979 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000792930120 1003237839 /nfs/dbraw/zinc/23/78/39/1003237839.db2.gz HWOCUHHHZIWJDN-OAHLLOKOSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000793092323 1003274475 /nfs/dbraw/zinc/27/44/75/1003274475.db2.gz NIQQOISCBSQFHA-YJBOKZPZSA-N 1 0 369.465 2.863 20 10 FFCDRO COc1c(O)c(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)ccc1[N+](=O)[O-] ZINC000775049430 1003421139 /nfs/dbraw/zinc/42/11/39/1003421139.db2.gz ZZQCAXZYSNERCN-OAHLLOKOSA-N 1 0 371.397 2.839 20 10 FFCDRO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793566689 1003426464 /nfs/dbraw/zinc/42/64/64/1003426464.db2.gz IPCDVKVERNLEDV-AWEZNQCLSA-N 1 0 374.462 2.757 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1O ZINC001196198287 1003699960 /nfs/dbraw/zinc/69/99/60/1003699960.db2.gz JEEWCPVNJKNLEB-KRWDZBQOSA-N 1 0 364.461 2.809 20 10 FFCDRO COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775695695 1003704897 /nfs/dbraw/zinc/70/48/97/1003704897.db2.gz BBYPYFOJXGEVPP-OAQYLSRUSA-N 1 0 367.493 2.785 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000103596744 1003756379 /nfs/dbraw/zinc/75/63/79/1003756379.db2.gz BWMWJWPAJRFFDC-WBVHZDCISA-N 1 0 371.481 2.934 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=S)NCc3ccc(F)cc3)cc2)CC1 ZINC001196503347 1003795207 /nfs/dbraw/zinc/79/52/07/1003795207.db2.gz HKDXMZHRFLGOJT-UHFFFAOYSA-N 1 0 372.513 2.742 20 10 FFCDRO C[C@@H]1CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805866911 1004164033 /nfs/dbraw/zinc/16/40/33/1004164033.db2.gz SEKZJKIJFCZZEB-OXQOHEQNSA-N 1 0 356.514 2.816 20 10 FFCDRO C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000806614219 1004371237 /nfs/dbraw/zinc/37/12/37/1004371237.db2.gz NAHMTTIZUFFGCJ-MJGOQNOKSA-N 1 0 359.514 2.965 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSc3ncccc3C)CC2)cc1 ZINC000806630542 1004380307 /nfs/dbraw/zinc/38/03/07/1004380307.db2.gz FIXXNPLGAGWTEX-GOSISDBHSA-N 1 0 373.522 2.674 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834287 1004570546 /nfs/dbraw/zinc/57/05/46/1004570546.db2.gz NASAAKAPHDUENA-INIZCTEOSA-N 1 0 355.482 2.771 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)C1 ZINC001199608486 1004985001 /nfs/dbraw/zinc/98/50/01/1004985001.db2.gz IJJPVSKVHSKSOP-INIZCTEOSA-N 1 0 358.873 2.727 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC001199792655 1005029875 /nfs/dbraw/zinc/02/98/75/1005029875.db2.gz QAEJAVMTWQKJMU-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnn(C)c2)NC(=O)OC(C)(C)C)cc1 ZINC001201750240 1005261098 /nfs/dbraw/zinc/26/10/98/1005261098.db2.gz IGVHPWMGLNVFMT-SFHVURJKSA-N 1 0 373.501 2.842 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)c1O ZINC000776252394 1005314468 /nfs/dbraw/zinc/31/44/68/1005314468.db2.gz SXBLCCVLBGTHBK-UHFFFAOYSA-N 1 0 374.506 2.916 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)CC1 ZINC000106584791 1005343106 /nfs/dbraw/zinc/34/31/06/1005343106.db2.gz GELSMBOXKZGJGP-UHFFFAOYSA-N 1 0 374.460 2.902 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000850345617 1005809106 /nfs/dbraw/zinc/80/91/06/1005809106.db2.gz GHVAJISGRXGGRC-LJQANCHMSA-N 1 0 367.493 2.900 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c(O)c1 ZINC000850359971 1005811129 /nfs/dbraw/zinc/81/11/29/1005811129.db2.gz XSSSOSCRCPGCNY-HNNXBMFYSA-N 1 0 356.422 2.695 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000850418576 1005814538 /nfs/dbraw/zinc/81/45/38/1005814538.db2.gz MXWWCFPFHMQJHY-SFHVURJKSA-N 1 0 366.383 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cnnn4)cc3)C2)cc1 ZINC000850488390 1005818544 /nfs/dbraw/zinc/81/85/44/1005818544.db2.gz MOGHCTDHUGVWPK-RDJZCZTQSA-N 1 0 364.453 2.600 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCN3C[C@@H]4CCCCN4C3=O)CC2)cc1 ZINC000850562558 1005822653 /nfs/dbraw/zinc/82/26/53/1005822653.db2.gz NXYUQCANCOSPCA-IBGZPJMESA-N 1 0 372.513 2.544 20 10 FFCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850568294 1005822940 /nfs/dbraw/zinc/82/29/40/1005822940.db2.gz UXXLTFIPHXWBJK-UHFFFAOYSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850567965 1005823097 /nfs/dbraw/zinc/82/30/97/1005823097.db2.gz MWSXONJJCMHODP-MRXNPFEDSA-N 1 0 355.482 2.772 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)cc1 ZINC000851629982 1005901281 /nfs/dbraw/zinc/90/12/81/1005901281.db2.gz DYQHDCFYFBIYMN-NRFANRHFSA-N 1 0 365.477 2.969 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851641976 1005902216 /nfs/dbraw/zinc/90/22/16/1005902216.db2.gz RMHGIBKTOJYSNQ-IERDGZPVSA-N 1 0 365.477 2.872 20 10 FFCDRO CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000851657433 1005903830 /nfs/dbraw/zinc/90/38/30/1005903830.db2.gz AONWKDXHJHXURS-CYBMUJFWSA-N 1 0 370.444 2.636 20 10 FFCDRO COC(=O)c1ccc2[nH]c(C[NH2+][C@@H](C)c3cc(OC)ccc3O)nc2c1 ZINC000851900154 1005921377 /nfs/dbraw/zinc/92/13/77/1005921377.db2.gz PZLCSSIYJNEHHU-NSHDSACASA-N 1 0 355.394 2.915 20 10 FFCDRO CC(=O)c1nc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000851899256 1005921464 /nfs/dbraw/zinc/92/14/64/1005921464.db2.gz ZREMBNIIAKZYEF-CQSZACIVSA-N 1 0 356.470 2.651 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3C[C@H](C(F)(F)F)OC(C)(C)C3)cc2)CC1 ZINC000814175163 1006170988 /nfs/dbraw/zinc/17/09/88/1006170988.db2.gz ICPSKPCUFRJQJV-QGZVFWFLSA-N 1 0 371.447 2.980 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000852820369 1006198932 /nfs/dbraw/zinc/19/89/32/1006198932.db2.gz PSSLYLDFZCYFHJ-CQSZACIVSA-N 1 0 371.506 2.659 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000852843708 1006204388 /nfs/dbraw/zinc/20/43/88/1006204388.db2.gz FKRPNYSORRBQAO-OXFYSEKESA-N 1 0 353.466 2.726 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882225 1006220125 /nfs/dbraw/zinc/22/01/25/1006220125.db2.gz AMMXNVWUEPHQPU-YOEHRIQHSA-N 1 0 353.422 2.586 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)c(NC(N)=O)c3)cc2)CC1 ZINC000814301436 1006244442 /nfs/dbraw/zinc/24/44/42/1006244442.db2.gz ZUHTTWKHGQKHSC-UHFFFAOYSA-N 1 0 357.433 2.680 20 10 FFCDRO CO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000881855405 1006244791 /nfs/dbraw/zinc/24/47/91/1006244791.db2.gz VEVTUWWKSXHNLS-HXUWFJFHSA-N 1 0 371.456 2.581 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1F ZINC000853121816 1006305715 /nfs/dbraw/zinc/30/57/15/1006305715.db2.gz ITSPMAYQBOPACV-HXUWFJFHSA-N 1 0 362.420 2.749 20 10 FFCDRO CCOC(=O)c1c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c2ccccc2n1C ZINC001206138357 1032156637 /nfs/dbraw/zinc/15/66/37/1032156637.db2.gz BDESZWWYSXYYIE-LBPRGKRZSA-N 1 0 351.397 2.523 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1c1nccn2cnnc12 ZINC000816520749 1007086774 /nfs/dbraw/zinc/08/67/74/1007086774.db2.gz XGIIYSAMZQIIDA-HNNXBMFYSA-N 1 0 374.448 2.694 20 10 FFCDRO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000817376940 1007569701 /nfs/dbraw/zinc/56/97/01/1007569701.db2.gz GAUFGAPVRJTWNT-SFHVURJKSA-N 1 0 371.433 3.000 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000818049062 1007868224 /nfs/dbraw/zinc/86/82/24/1007868224.db2.gz VBLIJTVNGGTXDW-ROUUACIJSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000818222638 1007887726 /nfs/dbraw/zinc/88/77/26/1007887726.db2.gz ZGJNCWSLQJMAII-QGZVFWFLSA-N 1 0 367.497 2.702 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818222521 1007888254 /nfs/dbraw/zinc/88/82/54/1007888254.db2.gz UOOXEYYMVORYAH-INIZCTEOSA-N 1 0 361.486 2.732 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCCCC[C@H]3[NH3+])C2)cc1 ZINC000818613112 1007951827 /nfs/dbraw/zinc/95/18/27/1007951827.db2.gz FPECPLIZMTWVAC-LSTHTHJFSA-N 1 0 359.514 2.935 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)C2)cc1 ZINC000818655038 1007960155 /nfs/dbraw/zinc/96/01/55/1007960155.db2.gz HRBWRPHECOOQQN-KZNAEPCWSA-N 1 0 374.529 2.586 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)cc1 ZINC000818654683 1007960816 /nfs/dbraw/zinc/96/08/16/1007960816.db2.gz FFBYTFOHUQZCCO-UZLBHIALSA-N 1 0 374.529 2.728 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984736 1008000432 /nfs/dbraw/zinc/00/04/32/1008000432.db2.gz FQSKPBMIELGESV-FQEVSTJZSA-N 1 0 370.493 2.745 20 10 FFCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122714 1008048836 /nfs/dbraw/zinc/04/88/36/1008048836.db2.gz YLUOEOLOFYXWLU-FQEVSTJZSA-N 1 0 372.484 2.870 20 10 FFCDRO C[C@H]1C[C@H](C)C[NH+](CCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164652 1008053568 /nfs/dbraw/zinc/05/35/68/1008053568.db2.gz LQXTXRUVVFCQSY-HOTGVXAUSA-N 1 0 359.470 2.524 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CC[NH+](C2CCCC2)CC1 ZINC000819165244 1008054511 /nfs/dbraw/zinc/05/45/11/1008054511.db2.gz RFJRWEBPORUIOY-UHFFFAOYSA-N 1 0 357.454 2.563 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000857318600 1008121110 /nfs/dbraw/zinc/12/11/10/1008121110.db2.gz SYNCXJUNLWRHEK-HNNXBMFYSA-N 1 0 358.413 2.626 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819379097 1008127094 /nfs/dbraw/zinc/12/70/94/1008127094.db2.gz CCXATHASJHHAAT-FOIQADDNSA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000819381269 1008127968 /nfs/dbraw/zinc/12/79/68/1008127968.db2.gz XEFXIMJQRACREN-QFBILLFUSA-N 1 0 374.456 2.690 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3ccc(C)cc3)CC2)cc1 ZINC000819388390 1008132136 /nfs/dbraw/zinc/13/21/36/1008132136.db2.gz AONADQKDMKFMKO-HXUWFJFHSA-N 1 0 355.482 2.599 20 10 FFCDRO O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819454700 1008138210 /nfs/dbraw/zinc/13/82/10/1008138210.db2.gz SMAATWULXIJHAR-VFCOFNOGSA-N 1 0 369.509 2.570 20 10 FFCDRO O=C(/C=C/[C@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819454699 1008138258 /nfs/dbraw/zinc/13/82/58/1008138258.db2.gz SMAATWULXIJHAR-LCCNJJIFSA-N 1 0 369.509 2.570 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819581576 1008181380 /nfs/dbraw/zinc/18/13/80/1008181380.db2.gz ABILEPCXNOJPAN-XWTMOSNGSA-N 1 0 359.514 2.899 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115515415 1008198734 /nfs/dbraw/zinc/19/87/34/1008198734.db2.gz GRYZVBFDEZCSII-MRXNPFEDSA-N 1 0 354.406 2.748 20 10 FFCDRO CN(C)c1ccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000858234188 1008329916 /nfs/dbraw/zinc/32/99/16/1008329916.db2.gz HBEGGEMXYJMOEB-UHFFFAOYSA-N 1 0 358.461 2.795 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000858527631 1008375374 /nfs/dbraw/zinc/37/53/74/1008375374.db2.gz UCUXLFDRBHFSCY-KGLIPLIRSA-N 1 0 366.458 2.687 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000821125855 1008417674 /nfs/dbraw/zinc/41/76/74/1008417674.db2.gz UGHWMLDWEXWNNH-PBHICJAKSA-N 1 0 355.442 2.938 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886325029 1008637315 /nfs/dbraw/zinc/63/73/15/1008637315.db2.gz QOTZUXYDVZLMAH-UYAOXDASSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@]4(CO[C@H](C)C4)O3)CC2)cc1 ZINC000886329806 1008638606 /nfs/dbraw/zinc/63/86/06/1008638606.db2.gz JNCJBDPNBCOTCM-CZAAIQMYSA-N 1 0 360.498 2.980 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000886502717 1008705889 /nfs/dbraw/zinc/70/58/89/1008705889.db2.gz LKHAOUMIXODVOV-KRWDZBQOSA-N 1 0 354.454 2.895 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCc4cccnc43)cc2)C1 ZINC000886508717 1008706587 /nfs/dbraw/zinc/70/65/87/1008706587.db2.gz LKBYREAAQZFZKR-PKOBYXMFSA-N 1 0 350.466 2.560 20 10 FFCDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749292 1008859856 /nfs/dbraw/zinc/85/98/56/1008859856.db2.gz OOFKRJJTSXLDHJ-XLIONFOSSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3c(O)cccc3F)CC2)c1 ZINC001178412833 1008984124 /nfs/dbraw/zinc/98/41/24/1008984124.db2.gz HLQHAJOBSRNECQ-UHFFFAOYSA-N 1 0 371.456 2.668 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000823247490 1008995141 /nfs/dbraw/zinc/99/51/41/1008995141.db2.gz GGTOGRYYMHSEHQ-QZTJIDSGSA-N 1 0 374.529 2.551 20 10 FFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726694 1009204874 /nfs/dbraw/zinc/20/48/74/1009204874.db2.gz WUCZDQBCVSWRHQ-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000823729757 1009208165 /nfs/dbraw/zinc/20/81/65/1009208165.db2.gz KSXBFTBOLDVGQW-MRXNPFEDSA-N 1 0 374.506 2.778 20 10 FFCDRO COCC[NH+]1CCC(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000823750253 1009212782 /nfs/dbraw/zinc/21/27/82/1009212782.db2.gz LWMMGVJQFONRFK-UHFFFAOYSA-N 1 0 369.509 2.864 20 10 FFCDRO CC(C)(C)N(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001179683871 1009418539 /nfs/dbraw/zinc/41/85/39/1009418539.db2.gz CBDWXCLZBXITLZ-BIENSFFJSA-N 1 0 374.481 2.649 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000861621080 1009488220 /nfs/dbraw/zinc/48/82/20/1009488220.db2.gz WMWWSRSOZQOQTD-NOLJZWGESA-N 1 0 372.435 2.982 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1C ZINC000861809722 1009566078 /nfs/dbraw/zinc/56/60/78/1009566078.db2.gz ZGEADAIZQLYSEN-RXVVDRJESA-N 1 0 365.477 2.991 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CSc2ccc(O)cc2)[NH+](C)C)cc1 ZINC001180178599 1009573998 /nfs/dbraw/zinc/57/39/98/1009573998.db2.gz DFZQWIVDFVLVMD-LJQANCHMSA-N 1 0 373.522 2.969 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)Cc2ccccc21 ZINC000862538133 1009871557 /nfs/dbraw/zinc/87/15/57/1009871557.db2.gz NFARYOVGWFVMOS-MRXNPFEDSA-N 1 0 357.406 2.682 20 10 FFCDRO CN(CCc1cccs1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669818 1010047497 /nfs/dbraw/zinc/04/74/97/1010047497.db2.gz SGMYTLPBKUSGSM-UHFFFAOYSA-N 1 0 372.538 2.884 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863303709 1010166489 /nfs/dbraw/zinc/16/64/89/1010166489.db2.gz YQJACEVNVQSMSK-HACGYAERSA-N 1 0 363.454 2.618 20 10 FFCDRO Cc1cc(C[NH2+]C[C@@H](O)COC2CCOCC2)c(C)n1-c1ccccc1 ZINC000863583343 1010264064 /nfs/dbraw/zinc/26/40/64/1010264064.db2.gz UDNCWWSWJYAZNC-HXUWFJFHSA-N 1 0 358.482 2.740 20 10 FFCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncnc1 ZINC000863897505 1010349455 /nfs/dbraw/zinc/34/94/55/1010349455.db2.gz LBNJZKFLXKMYAK-SUMWQHHRSA-N 1 0 374.872 2.720 20 10 FFCDRO [NH3+]CCN(C(=O)CCc1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001182157094 1010404017 /nfs/dbraw/zinc/40/40/17/1010404017.db2.gz GXZIDJNMSSTYJD-UHFFFAOYSA-N 1 0 358.482 2.787 20 10 FFCDRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)CCc2ccc(O)c(O)c2)CC1 ZINC001182156738 1010404436 /nfs/dbraw/zinc/40/44/36/1010404436.db2.gz AUMNVFWUPRNMHV-IYARVYRRSA-N 1 0 369.465 2.724 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3n[nH]c(C)c3C)C[C@H]2C)cc1C ZINC001093682646 1010446380 /nfs/dbraw/zinc/44/63/80/1010446380.db2.gz YOHARHJWPQUSJU-RDTXWAMCSA-N 1 0 370.497 2.841 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000794657492 1010459487 /nfs/dbraw/zinc/45/94/87/1010459487.db2.gz GMKVOJPGMOTTGX-SPLOXXLWSA-N 1 0 371.433 2.712 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000120040750 1010479065 /nfs/dbraw/zinc/47/90/65/1010479065.db2.gz IJZUEIRBJBBOEE-UHFFFAOYSA-N 1 0 370.497 2.692 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccsn3)C[C@H]2C)cc1C ZINC001093850838 1010619891 /nfs/dbraw/zinc/61/98/91/1010619891.db2.gz AAYMTFVLQPYZID-GDBMZVCRSA-N 1 0 359.495 2.958 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000015571651 1010756677 /nfs/dbraw/zinc/75/66/77/1010756677.db2.gz OZFHJXLAQXAFPK-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO COc1cncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1C ZINC000865428948 1010783557 /nfs/dbraw/zinc/78/35/57/1010783557.db2.gz CQNWCZJSDUYSPL-UHFFFAOYSA-N 1 0 355.482 2.897 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccnc(-n3cncn3)c2)cc1F ZINC000865681379 1010840637 /nfs/dbraw/zinc/84/06/37/1010840637.db2.gz OCYVWSDYMCYIPZ-UHFFFAOYSA-N 1 0 354.433 2.937 20 10 FFCDRO C[NH+]1CCC(n2cc(NCc3ccc(N4CCOCC4)c(F)c3)cn2)CC1 ZINC000865702898 1010845441 /nfs/dbraw/zinc/84/54/41/1010845441.db2.gz HVLFHWWOMFPLIN-UHFFFAOYSA-N 1 0 373.476 2.738 20 10 FFCDRO Oc1cccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000121635274 1011059248 /nfs/dbraw/zinc/05/92/48/1011059248.db2.gz CYQFQPIXWOOXJL-UHFFFAOYSA-N 1 0 353.466 2.551 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1ccccc1O ZINC000868172233 1011189886 /nfs/dbraw/zinc/18/98/86/1011189886.db2.gz VQSOMWOFDVUPDE-OAHLLOKOSA-N 1 0 357.454 2.893 20 10 FFCDRO COCCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276320146 1011630202 /nfs/dbraw/zinc/63/02/02/1011630202.db2.gz RJOOGYWGOMAOIM-NRFANRHFSA-N 1 0 359.514 2.746 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275027550 1011826289 /nfs/dbraw/zinc/82/62/89/1011826289.db2.gz VFSLWMHSDYCUMM-IERDGZPVSA-N 1 0 357.498 2.881 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001275067061 1011873844 /nfs/dbraw/zinc/87/38/44/1011873844.db2.gz NDGYUFWQCJXWFC-OAQYLSRUSA-N 1 0 357.498 2.750 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)CC2 ZINC001172895378 1012095759 /nfs/dbraw/zinc/09/57/59/1012095759.db2.gz CCKQCOOROGOXME-KXBFYZLASA-N 1 0 358.394 2.577 20 10 FFCDRO CC(C)(C)C(=O)OCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001275232152 1012114990 /nfs/dbraw/zinc/11/49/90/1012114990.db2.gz LHIMPZZXVPNSOK-HXUWFJFHSA-N 1 0 360.454 2.506 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1O ZINC001275241806 1012129265 /nfs/dbraw/zinc/12/92/65/1012129265.db2.gz MVPKBBZYGNPJJQ-ZDUSSCGKSA-N 1 0 372.387 2.681 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1O ZINC001275241472 1012129570 /nfs/dbraw/zinc/12/95/70/1012129570.db2.gz IJHJAULCGVTRLA-KRWDZBQOSA-N 1 0 372.387 2.778 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c1O ZINC001275244455 1012134785 /nfs/dbraw/zinc/13/47/85/1012134785.db2.gz KGPKIERDVOYJNH-QGZVFWFLSA-N 1 0 372.387 2.778 20 10 FFCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3cccc(O)c3O)CC2)cc1 ZINC001173401122 1012528250 /nfs/dbraw/zinc/52/82/50/1012528250.db2.gz BBOBDIHITKORGA-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO [NH3+][C@H]1CC[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000870878698 1012617605 /nfs/dbraw/zinc/61/76/05/1012617605.db2.gz KCBIUADIUFTEPY-HDJSIYSDSA-N 1 0 367.440 2.891 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)c(O)c2)N1CCC(F)(F)F ZINC001275577351 1012639321 /nfs/dbraw/zinc/63/93/21/1012639321.db2.gz AJJBBAVBZZAFGZ-CHWSQXEVSA-N 1 0 358.360 2.616 20 10 FFCDRO CC(C)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](C)[NH3+] ZINC000828359605 1032678835 /nfs/dbraw/zinc/67/88/35/1032678835.db2.gz ZRNNJZXZJSPYRD-DYVFJYSZSA-N 1 0 369.456 2.992 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)CCO2)cc1C ZINC001051725527 1017301509 /nfs/dbraw/zinc/30/15/09/1017301509.db2.gz BKCWULJQNKNASO-DBXWQHBBSA-N 1 0 358.482 2.511 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)C1 ZINC000924727341 1017451694 /nfs/dbraw/zinc/45/16/94/1017451694.db2.gz FFLBVAHHRDSYJG-DYXWJJEUSA-N 1 0 371.525 2.683 20 10 FFCDRO CN(c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1)C1CCCCC1 ZINC000924854866 1017519141 /nfs/dbraw/zinc/51/91/41/1017519141.db2.gz NBRXDCLKUZCIJP-HXUWFJFHSA-N 1 0 371.525 2.840 20 10 FFCDRO OCC1(O)CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000827146327 1017540548 /nfs/dbraw/zinc/54/05/48/1017540548.db2.gz DRFPNOUBSYQOSJ-UHFFFAOYSA-N 1 0 352.478 2.569 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000827168064 1017613921 /nfs/dbraw/zinc/61/39/21/1017613921.db2.gz XSAWUDKSVJDEEI-UHFFFAOYSA-N 1 0 356.466 2.890 20 10 FFCDRO [NH3+]C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC000827320422 1017629076 /nfs/dbraw/zinc/62/90/76/1017629076.db2.gz IMIUDSJLBZAUAG-IBGZPJMESA-N 1 0 373.497 2.738 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CC(C)C)CC2)cc1 ZINC000748806525 1017666230 /nfs/dbraw/zinc/66/62/30/1017666230.db2.gz AXWYWSCDWZAPMR-LJQANCHMSA-N 1 0 359.514 2.854 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)cc1F ZINC001137423267 1018166329 /nfs/dbraw/zinc/16/63/29/1018166329.db2.gz ZRJGEWNUUSNAIE-GOSISDBHSA-N 1 0 363.477 2.603 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3CCCO)cc2)CC1 ZINC000926872203 1018275276 /nfs/dbraw/zinc/27/52/76/1018275276.db2.gz AXFVRYPFEXKLPP-GHTZIAJQSA-N 1 0 373.541 2.809 20 10 FFCDRO C[C@H]([NH2+]Cc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1O ZINC000926998518 1018317625 /nfs/dbraw/zinc/31/76/25/1018317625.db2.gz PDOTXLFLCAQRIL-ZDUSSCGKSA-N 1 0 373.457 2.626 20 10 FFCDRO CCc1oc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C(=O)OC ZINC000827662036 1018602325 /nfs/dbraw/zinc/60/23/25/1018602325.db2.gz LTPUSBBJSPOJLB-UHFFFAOYSA-N 1 0 372.465 2.880 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000827663166 1018603631 /nfs/dbraw/zinc/60/36/31/1018603631.db2.gz ZNVKQUGFMAFPCY-UHFFFAOYSA-N 1 0 354.450 2.724 20 10 FFCDRO C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000827725253 1018629137 /nfs/dbraw/zinc/62/91/37/1018629137.db2.gz DCJGXQVYZIWPPI-QGZVFWFLSA-N 1 0 359.514 3.000 20 10 FFCDRO CNC(=O)CC1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827957426 1020149847 /nfs/dbraw/zinc/14/98/47/1020149847.db2.gz LVJHDGAPOVLSEH-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2Cc2c(O)ccc3ccccc32)O1 ZINC000902536901 1020266033 /nfs/dbraw/zinc/26/60/33/1020266033.db2.gz LDCKGWMMQIXLMZ-SCWSEQNSSA-N 1 0 357.450 2.940 20 10 FFCDRO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2Cc2c(O)ccc3ccccc32)O1 ZINC000902536894 1020266182 /nfs/dbraw/zinc/26/61/82/1020266182.db2.gz LDCKGWMMQIXLMZ-LDQXTDLNSA-N 1 0 357.450 2.940 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C1 ZINC000800476541 1020346000 /nfs/dbraw/zinc/34/60/00/1020346000.db2.gz KQYGYSGGXOYSNW-AZUAARDMSA-N 1 0 371.525 2.827 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000726245908 1020442165 /nfs/dbraw/zinc/44/21/65/1020442165.db2.gz RUKWXNORKOYHAG-IAGOWNOFSA-N 1 0 362.518 2.614 20 10 FFCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903087665 1020671192 /nfs/dbraw/zinc/67/11/92/1020671192.db2.gz GEDDFJWATCZLJI-PKOBYXMFSA-N 1 0 368.424 2.794 20 10 FFCDRO COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903381369 1020815357 /nfs/dbraw/zinc/81/53/57/1020815357.db2.gz WAWXXJZYFZSPTD-KSSFIOAISA-N 1 0 357.454 2.917 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001217987156 1032934717 /nfs/dbraw/zinc/93/47/17/1032934717.db2.gz MEWRLJBQKHGNIW-SJCJKPOMSA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@@H](Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218002729 1032945059 /nfs/dbraw/zinc/94/50/59/1032945059.db2.gz KGOOJLROTDLMRX-GFCCVEGCSA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001098480387 1020949206 /nfs/dbraw/zinc/94/92/06/1020949206.db2.gz FKNNRWQTTHGKBE-MPESAESLSA-N 1 0 361.421 2.932 20 10 FFCDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116409871 1021203448 /nfs/dbraw/zinc/20/34/48/1021203448.db2.gz ICLOUYYIKIYAKQ-KXBFYZLASA-N 1 0 361.461 2.772 20 10 FFCDRO COc1cc(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)c(Br)c1 ZINC001222434390 1032970847 /nfs/dbraw/zinc/97/08/47/1032970847.db2.gz ILBZLWVSMKZZOK-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222436423 1032971202 /nfs/dbraw/zinc/97/12/02/1032971202.db2.gz XRVGRJNVRFACFL-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO Cc1cc(OC2CC3(C2)CC[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218063642 1032975331 /nfs/dbraw/zinc/97/53/31/1032975331.db2.gz LIVCBEHXHIAMRO-UHFFFAOYSA-N 1 0 363.413 2.997 20 10 FFCDRO COCCCC[N@@H+]1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001276367323 1021599364 /nfs/dbraw/zinc/59/93/64/1021599364.db2.gz LDAHRECLBANWOM-NRFANRHFSA-N 1 0 359.514 2.746 20 10 FFCDRO COc1c(C)c(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc2c1C(=O)c1ccccc1C2=O ZINC001218143004 1033017710 /nfs/dbraw/zinc/01/77/10/1033017710.db2.gz LEJWHDYKQXJSPE-VFVRVIDISA-N 1 0 363.413 2.908 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC001118126232 1022079949 /nfs/dbraw/zinc/07/99/49/1022079949.db2.gz JRCCKJGPKGRZHE-UXHICEINSA-N 1 0 371.525 2.650 20 10 FFCDRO Cc1cc(O[C@@H]2CCC3(C[NH2+]C3)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218239885 1033064838 /nfs/dbraw/zinc/06/48/38/1033064838.db2.gz WZVFMTWPPXGPJB-CYBMUJFWSA-N 1 0 363.413 2.997 20 10 FFCDRO Cc1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218253448 1033070141 /nfs/dbraw/zinc/07/01/41/1033070141.db2.gz XIDTUBSDZLJGGJ-ZENOOKHLSA-N 1 0 363.413 2.995 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001122241922 1023139306 /nfs/dbraw/zinc/13/93/06/1023139306.db2.gz CUYJOAIAQKLMKM-GJZGRUSLSA-N 1 0 366.387 2.841 20 10 FFCDRO O=S1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC001119947673 1023176168 /nfs/dbraw/zinc/17/61/68/1023176168.db2.gz DFCDUFQXWVHOLO-IOXSGPKDSA-N 1 0 356.919 2.511 20 10 FFCDRO COC(=O)c1sccc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001120064929 1023225924 /nfs/dbraw/zinc/22/59/24/1023225924.db2.gz ZLZVKOXKCAVWMW-UHFFFAOYSA-N 1 0 359.495 2.576 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)c3cccc(C)c3)CC2)cc1 ZINC000754031940 1023417366 /nfs/dbraw/zinc/41/73/66/1023417366.db2.gz XRIDIUINFJHQCV-NRFANRHFSA-N 1 0 369.509 2.623 20 10 FFCDRO C[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218399173 1033138192 /nfs/dbraw/zinc/13/81/92/1033138192.db2.gz OABVYFQIOLWVDF-RYUDHWBXSA-N 1 0 366.373 2.890 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218401409 1033138485 /nfs/dbraw/zinc/13/84/85/1033138485.db2.gz HJNBANRDEITEJH-CHWSQXEVSA-N 1 0 351.402 2.995 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c2c1c(F)ccc2O ZINC000756524944 1023722893 /nfs/dbraw/zinc/72/28/93/1023722893.db2.gz KUAUJCCFAKJYSZ-FVQBIDKESA-N 1 0 363.477 2.612 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c2c1c(F)ccc2O ZINC000756524939 1023723138 /nfs/dbraw/zinc/72/31/38/1023723138.db2.gz KUAUJCCFAKJYSZ-BMFZPTHFSA-N 1 0 363.477 2.612 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)c1cc(F)ccc1O ZINC000756587822 1023732099 /nfs/dbraw/zinc/73/20/99/1023732099.db2.gz CSBXEIVDRWDZEB-JKSUJKDBSA-N 1 0 358.461 2.788 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000756865459 1023761274 /nfs/dbraw/zinc/76/12/74/1023761274.db2.gz ZWSOKGRZERUMDE-RBUKOAKNSA-N 1 0 371.433 2.712 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[NH2+]CCC3(F)F)cccc21 ZINC001218447945 1033160833 /nfs/dbraw/zinc/16/08/33/1033160833.db2.gz KIYJJTMZTUGTBD-AWEZNQCLSA-N 1 0 359.328 2.544 20 10 FFCDRO O=C(c1ccco1)N1CCC[C@]2(CN(Cc3c(O)cccc3F)CCO2)C1 ZINC001137835488 1033174606 /nfs/dbraw/zinc/17/46/06/1033174606.db2.gz ILCAQTHWIKMAJD-FQEVSTJZSA-N 1 0 374.412 2.632 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(F)c(C)c3)CC2)cc1 ZINC000758225951 1023979207 /nfs/dbraw/zinc/97/92/07/1023979207.db2.gz WOOLTDXCLMUKLN-SFHVURJKSA-N 1 0 374.456 2.705 20 10 FFCDRO Cc1noc(C)c1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001121830056 1024077516 /nfs/dbraw/zinc/07/75/16/1024077516.db2.gz QURKGMGUFXCVPE-LJQANCHMSA-N 1 0 373.501 2.502 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1N1CCCCC1 ZINC000758507755 1024148774 /nfs/dbraw/zinc/14/87/74/1024148774.db2.gz XRWDYOPXRGARPR-MRXNPFEDSA-N 1 0 355.442 2.955 20 10 FFCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137859413 1033229950 /nfs/dbraw/zinc/22/99/50/1033229950.db2.gz XHUGUVDHZLADEC-LJQANCHMSA-N 1 0 355.482 2.821 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)ccc21 ZINC001141143494 1025516890 /nfs/dbraw/zinc/51/68/90/1025516890.db2.gz BAHUZKWKADPFHQ-INIZCTEOSA-N 1 0 361.486 2.862 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC001141158552 1025539146 /nfs/dbraw/zinc/53/91/46/1025539146.db2.gz DNSJVJJABGNICR-UHFFFAOYSA-N 1 0 353.344 2.834 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCCO3)cc2F)CC1 ZINC000837404108 1025781175 /nfs/dbraw/zinc/78/11/75/1025781175.db2.gz YOPPKTBPZVLARD-HXUWFJFHSA-N 1 0 363.477 2.543 20 10 FFCDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000090511859 1026276801 /nfs/dbraw/zinc/27/68/01/1026276801.db2.gz HUBYCPZIIQYPMI-UHFFFAOYSA-N 1 0 370.453 2.879 20 10 FFCDRO CCC1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000838535377 1026403629 /nfs/dbraw/zinc/40/36/29/1026403629.db2.gz VNUXBUSHDRMMAZ-UHFFFAOYSA-N 1 0 356.514 2.960 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cccc3nccn32)cc(F)c1N1CCOCC1 ZINC000839146634 1026605584 /nfs/dbraw/zinc/60/55/84/1026605584.db2.gz PETKMGXKLDZXHC-UHFFFAOYSA-N 1 0 358.392 2.739 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1 ZINC000839176292 1026612595 /nfs/dbraw/zinc/61/25/95/1026612595.db2.gz UFKGQWLHFHBAKH-VOFKWLDRSA-N 1 0 360.498 2.771 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000247094956 1026700134 /nfs/dbraw/zinc/70/01/34/1026700134.db2.gz PRPAJIRFKDILGW-CRAIPNDOSA-N 1 0 372.465 2.962 20 10 FFCDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839508740 1026708088 /nfs/dbraw/zinc/70/80/88/1026708088.db2.gz RMNYPTRIUPMHBV-RBUKOAKNSA-N 1 0 359.514 2.648 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000839588541 1026748669 /nfs/dbraw/zinc/74/86/69/1026748669.db2.gz DTLIBPPVWKUFKJ-HBMCJLEFSA-N 1 0 373.541 2.774 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000839604086 1026753988 /nfs/dbraw/zinc/75/39/88/1026753988.db2.gz ALNACUPJNUTCRY-VGOFRKELSA-N 1 0 369.509 2.813 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000840485396 1027090086 /nfs/dbraw/zinc/09/00/86/1027090086.db2.gz SMCHYBUONIZPGN-UWJYYQICSA-N 1 0 358.530 2.729 20 10 FFCDRO Cc1occc1C1=N/C(=C\c2ccc(N3CC[NH+](C)CC3)cc2)C(=O)O1 ZINC000840729874 1027233437 /nfs/dbraw/zinc/23/34/37/1027233437.db2.gz UPESBZXUYRBWSG-AQTBWJFISA-N 1 0 351.406 2.684 20 10 FFCDRO COc1cccc(CN2CCN(C(=O)Cc3ccccc3C)CC2)c1O ZINC000092733435 1027429180 /nfs/dbraw/zinc/42/91/80/1027429180.db2.gz WVBBHRVYCZPLQX-UHFFFAOYSA-N 1 0 354.450 2.596 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000248487578 1027660251 /nfs/dbraw/zinc/66/02/51/1027660251.db2.gz GFYMBXYMQAMFGY-DJPFJPOOSA-N 1 0 370.493 2.934 20 10 FFCDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000795725863 1028016444 /nfs/dbraw/zinc/01/64/44/1028016444.db2.gz LHZQTMXJFGCIGF-CRAIPNDOSA-N 1 0 371.433 2.870 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccccc2O)[C@@H](c2cnn(C)c2)C1 ZINC000827960223 1028876828 /nfs/dbraw/zinc/87/68/28/1028876828.db2.gz LCBFALZMYWZGDV-KFKAGJAMSA-N 1 0 370.497 2.817 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc4nc[nH]c4cn3)CC2)cc1 ZINC001164327787 1029247065 /nfs/dbraw/zinc/24/70/65/1029247065.db2.gz NQRCBLWJLLETPQ-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nccc(Cl)n3)CC2)cc1 ZINC001164335999 1029249597 /nfs/dbraw/zinc/24/95/97/1029249597.db2.gz MZKKRXLGHDKHMW-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4c3CCC4)cc2)CC1 ZINC001156655748 1029290140 /nfs/dbraw/zinc/29/01/40/1029290140.db2.gz IOAOMHQJGLDWNE-UHFFFAOYSA-N 1 0 357.889 2.983 20 10 FFCDRO CCOC(=O)c1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001156656446 1029290299 /nfs/dbraw/zinc/29/02/99/1029290299.db2.gz UJKYZEXCWXKXEW-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nccc(N4CCCCC4)n3)cc2)CC1 ZINC001156658205 1029294393 /nfs/dbraw/zinc/29/43/93/1029294393.db2.gz VCKFAXIUWQUVOQ-UHFFFAOYSA-N 1 0 366.513 2.831 20 10 FFCDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000782859078 1029839678 /nfs/dbraw/zinc/83/96/78/1029839678.db2.gz DQLWZYJYHPRDMT-UHFFFAOYSA-N 1 0 353.382 2.882 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000840934022 1029934053 /nfs/dbraw/zinc/93/40/53/1029934053.db2.gz MGGBZRVMBSNRKW-KRWDZBQOSA-N 1 0 352.482 2.528 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1O ZINC000840949330 1029941364 /nfs/dbraw/zinc/94/13/64/1029941364.db2.gz WHMCZFLLGPWRMV-QGZVFWFLSA-N 1 0 358.482 2.716 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cc2)CC1 ZINC000840958313 1029944619 /nfs/dbraw/zinc/94/46/19/1029944619.db2.gz PACCLWCOTRAUCW-VXKWHMMOSA-N 1 0 351.494 2.746 20 10 FFCDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045429 1030000585 /nfs/dbraw/zinc/00/05/85/1030000585.db2.gz KWLRDMAAECERKE-AUUYWEPGSA-N 1 0 358.461 2.898 20 10 FFCDRO [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000841142183 1030069469 /nfs/dbraw/zinc/06/94/69/1030069469.db2.gz NTKSPUVYOIWSOU-UHFFFAOYSA-N 1 0 351.410 2.990 20 10 FFCDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841243443 1030129558 /nfs/dbraw/zinc/12/95/58/1030129558.db2.gz KAAXLBTXBAVHSJ-GUYCJALGSA-N 1 0 351.410 2.989 20 10 FFCDRO CN(C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC([NH3+])C1 ZINC000841259501 1030137163 /nfs/dbraw/zinc/13/71/63/1030137163.db2.gz SBCRCKCQWPPVDB-UHFFFAOYSA-N 1 0 351.410 2.989 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)ccc21 ZINC000841322479 1030196345 /nfs/dbraw/zinc/19/63/45/1030196345.db2.gz RSLDPTFXVXLCLZ-QGZVFWFLSA-N 1 0 365.481 2.602 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000841385354 1030248958 /nfs/dbraw/zinc/24/89/58/1030248958.db2.gz BDQGEIMSCISHBX-UHFFFAOYSA-N 1 0 355.457 2.956 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(c4cc(C)[nH]n4)CC3)CC2)cc1 ZINC000784057154 1030447019 /nfs/dbraw/zinc/44/70/19/1030447019.db2.gz VJKFBWUFXHGUJU-UHFFFAOYSA-N 1 0 369.513 2.954 20 10 FFCDRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1c(O)ccc2c1CCCC2 ZINC000841936986 1030555208 /nfs/dbraw/zinc/55/52/08/1030555208.db2.gz ZDSOIYZPQDJQSF-UHFFFAOYSA-N 1 0 368.481 2.645 20 10 FFCDRO COC(C)(C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000784566452 1030687915 /nfs/dbraw/zinc/68/79/15/1030687915.db2.gz RDCNAMMEGKSXLU-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc([C@H](C[NH3+])CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000842476296 1030749045 /nfs/dbraw/zinc/74/90/45/1030749045.db2.gz LFXMXZNTDTWKCJ-GOSISDBHSA-N 1 0 355.482 2.568 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552476 1030761799 /nfs/dbraw/zinc/76/17/99/1030761799.db2.gz MNPNBGRFNIUYQH-UHFFFAOYSA-N 1 0 351.450 2.916 20 10 FFCDRO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1)c1ccccc1 ZINC001203552333 1030764083 /nfs/dbraw/zinc/76/40/83/1030764083.db2.gz KCCZVZOIWAAILJ-SIKLNZKXSA-N 1 0 366.461 2.946 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1O ZINC001203592205 1030774182 /nfs/dbraw/zinc/77/41/82/1030774182.db2.gz QYDQORLRIAGJRH-MJGOQNOKSA-N 1 0 353.466 2.750 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1O ZINC001203599946 1030781427 /nfs/dbraw/zinc/78/14/27/1030781427.db2.gz PLLVAKJNDWCUJL-UHFFFAOYSA-N 1 0 354.450 2.678 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)c1O ZINC001203609739 1030785432 /nfs/dbraw/zinc/78/54/32/1030785432.db2.gz IYHARHVKGXCTME-OAQYLSRUSA-N 1 0 367.449 2.815 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c1O ZINC001203617039 1030787212 /nfs/dbraw/zinc/78/72/12/1030787212.db2.gz GZHKUTCCZPEXRC-HNNXBMFYSA-N 1 0 359.426 2.633 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(O)c1 ZINC001203635499 1030797325 /nfs/dbraw/zinc/79/73/25/1030797325.db2.gz YLERTCHBUBNOBH-CQSZACIVSA-N 1 0 356.397 2.770 20 10 FFCDRO CC(C)(C)OC(=O)NCCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203650878 1030804539 /nfs/dbraw/zinc/80/45/39/1030804539.db2.gz FQEGWCRKTITCND-UHFFFAOYSA-N 1 0 369.893 2.688 20 10 FFCDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001203657492 1030810899 /nfs/dbraw/zinc/81/08/99/1030810899.db2.gz CCYZNXVLZMWTFW-UHFFFAOYSA-N 1 0 352.434 2.522 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001203672761 1030817503 /nfs/dbraw/zinc/81/75/03/1030817503.db2.gz DKFLVTVDUBZUFJ-PBHICJAKSA-N 1 0 359.495 2.954 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1cccc(OC)c1O)Cc1ccc(F)cc1C ZINC000842721379 1030922846 /nfs/dbraw/zinc/92/28/46/1030922846.db2.gz GHVMDKYTZLZOSI-INIZCTEOSA-N 1 0 360.429 2.543 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1cccc(OC)c1O)Cc1ccc(F)cc1C ZINC000842721381 1030923323 /nfs/dbraw/zinc/92/33/23/1030923323.db2.gz GHVMDKYTZLZOSI-MRXNPFEDSA-N 1 0 360.429 2.543 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203876362 1030949372 /nfs/dbraw/zinc/94/93/72/1030949372.db2.gz BHVCEBOVEKFQJV-QGZVFWFLSA-N 1 0 352.434 2.594 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cc1O ZINC001203879405 1030955867 /nfs/dbraw/zinc/95/58/67/1030955867.db2.gz PQPYFWCZXYLJLI-DBXWQHBBSA-N 1 0 370.449 2.832 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001203931244 1030991283 /nfs/dbraw/zinc/99/12/83/1030991283.db2.gz DSRLBDFAVYHCNE-VXKWHMMOSA-N 1 0 366.509 2.623 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC001203934187 1030992506 /nfs/dbraw/zinc/99/25/06/1030992506.db2.gz WXDTWNSONVCXPL-NRFANRHFSA-N 1 0 367.497 2.505 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)cc1 ZINC001203933465 1030992526 /nfs/dbraw/zinc/99/25/26/1030992526.db2.gz MAJBNAWCQKPACR-FQEVSTJZSA-N 1 0 364.493 2.786 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 ZINC001203934060 1030993393 /nfs/dbraw/zinc/99/33/93/1030993393.db2.gz SVEQUBRIAUYTQF-IRLDBZIGSA-N 1 0 364.493 2.676 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccc(N(CC)CC)cc1)CC2 ZINC001203941728 1030998006 /nfs/dbraw/zinc/99/80/06/1030998006.db2.gz FTXPFBYXUMDZGL-UHFFFAOYSA-N 1 0 370.497 2.964 20 10 FFCDRO CCOC(=O)[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204235110 1031179621 /nfs/dbraw/zinc/17/96/21/1031179621.db2.gz GDZGKGXZLJTKIN-SFHVURJKSA-N 1 0 354.450 2.860 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c2ccccc21 ZINC001204232672 1031180357 /nfs/dbraw/zinc/18/03/57/1031180357.db2.gz ICQDOBRNKZVBQJ-KSSFIOAISA-N 1 0 368.399 2.766 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c(O)c1 ZINC001204273397 1031198591 /nfs/dbraw/zinc/19/85/91/1031198591.db2.gz ORIIBQPEPRXTOQ-OAQYLSRUSA-N 1 0 354.450 2.969 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)c(O)c1 ZINC001204274661 1031200250 /nfs/dbraw/zinc/20/02/50/1031200250.db2.gz SFDGAYLKBFPKBL-UHFFFAOYSA-N 1 0 366.421 2.674 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329654 1031231909 /nfs/dbraw/zinc/23/19/09/1031231909.db2.gz UGYZQTGTHXDMFH-FQEVSTJZSA-N 1 0 359.514 2.746 20 10 FFCDRO COc1cc(C[N@H+](CCNC(=O)OC(C)(C)C)C(C)C)cc(O)c1O ZINC001204344677 1031240244 /nfs/dbraw/zinc/24/02/44/1031240244.db2.gz AZMICQAXCMLQPA-UHFFFAOYSA-N 1 0 354.447 2.842 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)cc(O)c1O ZINC001204348272 1031244404 /nfs/dbraw/zinc/24/44/04/1031244404.db2.gz ATFDTRJKKZRDJG-NRFANRHFSA-N 1 0 369.417 2.948 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c1O ZINC001143117191 1031248676 /nfs/dbraw/zinc/24/86/76/1031248676.db2.gz WXXWTCKIUSBJPP-ZWKOTPCHSA-N 1 0 350.478 2.934 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)[C@H]1c1ccccc1 ZINC001204351479 1031248840 /nfs/dbraw/zinc/24/88/40/1031248840.db2.gz SJJBFKWFCNSVMW-YJBOKZPZSA-N 1 0 357.406 2.843 20 10 FFCDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCc2cc(C[NH3+])ccc21 ZINC000843349576 1031342652 /nfs/dbraw/zinc/34/26/52/1031342652.db2.gz DXOHXORAKCEHEY-CYBMUJFWSA-N 1 0 354.410 2.833 20 10 FFCDRO COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349635 1031342851 /nfs/dbraw/zinc/34/28/51/1031342851.db2.gz HBEUVKOCGZEENJ-CQSZACIVSA-N 1 0 369.465 2.942 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000843507058 1031433762 /nfs/dbraw/zinc/43/37/62/1031433762.db2.gz OYKZFUKQCGGTAH-KUHUBIRLSA-N 1 0 373.884 2.991 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)n1-c1ccc(F)cn1 ZINC000830008874 1033426675 /nfs/dbraw/zinc/42/66/75/1033426675.db2.gz KMVLDVRMEDIPSM-OAQYLSRUSA-N 1 0 370.472 2.839 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)cc2)CC1 ZINC000830051520 1033443066 /nfs/dbraw/zinc/44/30/66/1033443066.db2.gz AHGADJUGNMHTPW-FGZHOGPDSA-N 1 0 374.525 2.712 20 10 FFCDRO Cc1ccc2ccc(C(=O)Nc3cccc(N4CC[NH2+]CC4)c3)c(O)c2n1 ZINC001219122100 1033522623 /nfs/dbraw/zinc/52/26/23/1033522623.db2.gz IQEJELSKCIRPKE-UHFFFAOYSA-N 1 0 362.433 2.911 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[NH2+]CCN3C)cc2)cc1 ZINC001219204336 1033553627 /nfs/dbraw/zinc/55/36/27/1033553627.db2.gz ZEPIGSRMEAXWBE-FNEOHHHZSA-N 1 0 364.493 2.765 20 10 FFCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000830720408 1033763182 /nfs/dbraw/zinc/76/31/82/1033763182.db2.gz RZQISTLRTAABAR-CRAIPNDOSA-N 1 0 359.445 2.904 20 10 FFCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000831133163 1033961373 /nfs/dbraw/zinc/96/13/73/1033961373.db2.gz RYPNQKQCTLMHRJ-MJBXVCDLSA-N 1 0 370.444 2.682 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000831143295 1033966003 /nfs/dbraw/zinc/96/60/03/1033966003.db2.gz NHRYCIHIPWOAMS-IBGZPJMESA-N 1 0 371.456 2.963 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC001138216879 1033967808 /nfs/dbraw/zinc/96/78/08/1033967808.db2.gz OFHXUXUTKCOZCP-VXKWHMMOSA-N 1 0 371.525 2.889 20 10 FFCDRO Cc1c(C[N@H+]2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)c2ccccc2n1C ZINC001138255469 1034023744 /nfs/dbraw/zinc/02/37/44/1034023744.db2.gz HXLOZARBDCKBQB-AHRSYUTCSA-N 1 0 369.509 2.706 20 10 FFCDRO CCC1=NC2(CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)C(=O)N1C ZINC001138359253 1034195180 /nfs/dbraw/zinc/19/51/80/1034195180.db2.gz OVSKXMAAQFWXKH-UHFFFAOYSA-N 1 0 354.498 2.684 20 10 FFCDRO Cc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)n1-c1ccccc1C ZINC000831688245 1034210080 /nfs/dbraw/zinc/21/00/80/1034210080.db2.gz MXJLUOAEOGJZFP-LJQANCHMSA-N 1 0 366.509 2.522 20 10 FFCDRO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496612 1034334274 /nfs/dbraw/zinc/33/42/74/1034334274.db2.gz OPQCFISNHSXIRK-QFIPXVFZSA-N 1 0 371.525 2.890 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001138496297 1034335393 /nfs/dbraw/zinc/33/53/93/1034335393.db2.gz MDDLOKQPYMEYLJ-UHFFFAOYSA-N 1 0 364.493 2.791 20 10 FFCDRO Fc1ccccc1CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138498478 1034336045 /nfs/dbraw/zinc/33/60/45/1034336045.db2.gz ZUJSLYSVZWZJLF-UHFFFAOYSA-N 1 0 369.484 2.980 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001138497884 1034337006 /nfs/dbraw/zinc/33/70/06/1034337006.db2.gz NSVMSSKTBTVBBD-FGZHOGPDSA-N 1 0 372.509 2.683 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000832266405 1034688633 /nfs/dbraw/zinc/68/86/33/1034688633.db2.gz FPNKEGOKUSRFTH-KRWDZBQOSA-N 1 0 371.485 2.542 20 10 FFCDRO COc1cc(CN(C)CC(=O)OCc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139260639 1035032017 /nfs/dbraw/zinc/03/20/17/1035032017.db2.gz NXRSMMIMUMXWLM-UHFFFAOYSA-N 1 0 372.465 2.638 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)ccc1N(C)C ZINC001139673472 1035194411 /nfs/dbraw/zinc/19/44/11/1035194411.db2.gz RVBUCIGMVQWDSS-SJLPKXTDSA-N 1 0 363.502 2.521 20 10 FFCDRO Cc1cc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)ccc1N(C)C ZINC001139674391 1035195272 /nfs/dbraw/zinc/19/52/72/1035195272.db2.gz XVXIUSPEANZLIX-UHFFFAOYSA-N 1 0 352.482 2.850 20 10 FFCDRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054230 1035323415 /nfs/dbraw/zinc/32/34/15/1035323415.db2.gz MRYOCSDXZBXQOL-QGZVFWFLSA-N 1 0 355.413 2.565 20 10 FFCDRO CCN(C(C)=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140102802 1035342493 /nfs/dbraw/zinc/34/24/93/1035342493.db2.gz ZLNKOIUPILVGOX-UHFFFAOYSA-N 1 0 355.276 2.988 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001140178941 1035369908 /nfs/dbraw/zinc/36/99/08/1035369908.db2.gz DHVFPAZPUAGDOJ-UGKGYDQZSA-N 1 0 365.477 2.932 20 10 FFCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1Cc1ccccc1 ZINC001140282616 1035417443 /nfs/dbraw/zinc/41/74/43/1035417443.db2.gz AWDWRJGWYPVAMQ-XZOQPEGZSA-N 1 0 366.505 2.826 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@]1(O)C(F)(F)F ZINC001140282977 1035417531 /nfs/dbraw/zinc/41/75/31/1035417531.db2.gz MHOQHNQTKJRJCG-RDTXWAMCSA-N 1 0 372.431 2.783 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCCN(c4ccccn4)CC3)cc2)CC1 ZINC001140283186 1035418000 /nfs/dbraw/zinc/41/80/00/1035418000.db2.gz OFBDQZZGJSMQDV-UHFFFAOYSA-N 1 0 366.509 2.755 20 10 FFCDRO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140283281 1035418133 /nfs/dbraw/zinc/41/81/33/1035418133.db2.gz ONAYSDRQVSQHBE-UHFFFAOYSA-N 1 0 366.509 2.803 20 10 FFCDRO CC(C)CC(=O)NC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286925 1035419615 /nfs/dbraw/zinc/41/96/15/1035419615.db2.gz WUWUUPPZLFIDGR-UHFFFAOYSA-N 1 0 373.541 2.774 20 10 FFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140302383 1035425565 /nfs/dbraw/zinc/42/55/65/1035425565.db2.gz QEMQRYWJXGFZTK-HXUWFJFHSA-N 1 0 373.541 2.994 20 10 FFCDRO O=C(COC1CC[NH+](Cc2ccc(Cl)cc2O)CC1)N1CCCC1 ZINC001140468349 1035486232 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ZINC001235734987 1037717590 /nfs/dbraw/zinc/71/75/90/1037717590.db2.gz GWQNWSCLRVMASC-NRFANRHFSA-N 1 0 373.447 2.948 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](CC4(C)COC4)C3)C2)cc1 ZINC001207791394 1037729828 /nfs/dbraw/zinc/72/98/28/1037729828.db2.gz PEPFNQBZIRIQSM-NRFANRHFSA-N 1 0 360.498 2.651 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)cc1O ZINC001231633431 1037752445 /nfs/dbraw/zinc/75/24/45/1037752445.db2.gz OIRBLFMRBOGFQA-UONOGXRCSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231633999 1037754139 /nfs/dbraw/zinc/75/41/39/1037754139.db2.gz FTJFJPUXBGODGO-TZMCWYRMSA-N 1 0 366.458 2.842 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)cc1 ZINC001231640896 1037765384 /nfs/dbraw/zinc/76/53/84/1037765384.db2.gz VYOKPTSROMMEEP-UHFFFAOYSA-N 1 0 358.438 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3cccc(F)c3)cc2)CC1 ZINC001536934517 1070089062 /nfs/dbraw/zinc/08/90/62/1070089062.db2.gz WPYSJOKDKBAOLJ-YFHOEESVSA-N 1 0 353.441 2.907 20 10 FFCDRO C[C@H]([NH3+])CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001236098063 1037932282 /nfs/dbraw/zinc/93/22/82/1037932282.db2.gz NBKTWZDURZHNGR-MEDUHNTESA-N 1 0 362.857 2.794 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001231843950 1037941830 /nfs/dbraw/zinc/94/18/30/1037941830.db2.gz HORDBZMTZQCSAC-DSKINZAPSA-N 1 0 372.509 2.905 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C(=O)NCc4ccco4)[C@@H](C2)O3)c(O)c1 ZINC001231845691 1037944134 /nfs/dbraw/zinc/94/41/34/1037944134.db2.gz QCNMOENYUTZZRL-MBOZVWFJSA-N 1 0 370.449 2.508 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC001231848007 1037946503 /nfs/dbraw/zinc/94/65/03/1037946503.db2.gz DMESGGGFHYAOMB-UHFFFAOYSA-N 1 0 354.498 2.864 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001231853496 1037950860 /nfs/dbraw/zinc/95/08/60/1037950860.db2.gz YTRBDDRAYKRCFX-RTBURBONSA-N 1 0 366.509 2.720 20 10 FFCDRO C[NH+](C)CCCn1cc(-c2ccn(Cc3cccc(F)c3)c(=O)c2)cn1 ZINC001236155655 1037954304 /nfs/dbraw/zinc/95/43/04/1037954304.db2.gz GXVLQNXKAXOQTI-UHFFFAOYSA-N 1 0 354.429 2.851 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC1)OC(=O)c1ncccc12 ZINC001231855016 1037954919 /nfs/dbraw/zinc/95/49/19/1037954919.db2.gz OJZUQEJPRFHRGT-UHFFFAOYSA-N 1 0 367.449 2.818 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)cc1Cl ZINC001231866670 1037962270 /nfs/dbraw/zinc/96/22/70/1037962270.db2.gz HIWWBSDBIRBSCZ-RVKKMQEKSA-N 1 0 366.889 2.669 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)cc1Cl ZINC001231868509 1037963821 /nfs/dbraw/zinc/96/38/21/1037963821.db2.gz UFPYEVLYOPCGNV-OAGGEKHMSA-N 1 0 366.889 2.573 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)cc1Cl ZINC001231870692 1037968839 /nfs/dbraw/zinc/96/88/39/1037968839.db2.gz OPCGKSPLYXLONP-UHFFFAOYSA-N 1 0 364.873 2.758 20 10 FFCDRO CC[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001276553254 1038015118 /nfs/dbraw/zinc/01/51/18/1038015118.db2.gz NDQLLJSBWKYKPI-AWEZNQCLSA-N 1 0 362.470 2.807 20 10 FFCDRO CCCN(Cc1cccc(I)c1O)[C@@H]1CC[NH2+]C1 ZINC001236323878 1038045755 /nfs/dbraw/zinc/04/57/55/1038045755.db2.gz MEDOMURSQZMUDT-GFCCVEGCSA-N 1 0 360.239 2.571 20 10 FFCDRO COCCN(Cc1cc(OCc2ccccc2)ccc1O)[C@H]1CC[NH2+]C1 ZINC001236334080 1038051334 /nfs/dbraw/zinc/05/13/34/1038051334.db2.gz GTTAFHSTBUODPF-IBGZPJMESA-N 1 0 356.466 2.782 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3[C@@H](C)CNCC3(F)F)CC2)cc1 ZINC001236433835 1038086747 /nfs/dbraw/zinc/08/67/47/1038086747.db2.gz MIEVKOVIJAWAIU-MAUKXSAKSA-N 1 0 353.457 2.698 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)cc1OC ZINC001236750934 1038235973 /nfs/dbraw/zinc/23/59/73/1038235973.db2.gz AKHSFXNQVGPJOM-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(O)cc1Br ZINC001236753361 1038239612 /nfs/dbraw/zinc/23/96/12/1038239612.db2.gz MLINOLOPULBUGX-UHFFFAOYSA-N 1 0 370.243 2.835 20 10 FFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236753165 1038241202 /nfs/dbraw/zinc/24/12/02/1038241202.db2.gz KCJNWPHVGPMQHS-INIZCTEOSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)cc1OC ZINC001236756956 1038244123 /nfs/dbraw/zinc/24/41/23/1038244123.db2.gz YQCVXDOEKNLUKY-OAQYLSRUSA-N 1 0 368.433 2.530 20 10 FFCDRO Oc1cc(CN2C[C@@H]3COC[C@H](C2)C3(F)F)c(O)cc1Br ZINC001236763027 1038250318 /nfs/dbraw/zinc/25/03/18/1038250318.db2.gz UOGJNECCUXWIFV-AOOOYVTPSA-N 1 0 364.186 2.574 20 10 FFCDRO Oc1cc(CN2CCN(c3cc[nH+]cc3)CC2)c(O)cc1Br ZINC001236774209 1038258684 /nfs/dbraw/zinc/25/86/84/1038258684.db2.gz YBMOIFJQPYHXOT-UHFFFAOYSA-N 1 0 364.243 2.578 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c(O)c1 ZINC001236786522 1038268996 /nfs/dbraw/zinc/26/89/96/1038268996.db2.gz FYRKTLSTKKQBDH-OAQYLSRUSA-N 1 0 368.481 2.616 20 10 FFCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OCc4ccccc4)ccc3O)C[C@@H]21 ZINC001236789280 1038271446 /nfs/dbraw/zinc/27/14/46/1038271446.db2.gz NNEMTGPOOXSHCG-RUYXUALKSA-N 1 0 353.418 2.822 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c(O)c1 ZINC001236790774 1038271957 /nfs/dbraw/zinc/27/19/57/1038271957.db2.gz XWOAYQAEFSKVMC-NLWGTHIKSA-N 1 0 369.465 2.803 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c(O)c1 ZINC001236807532 1038281679 /nfs/dbraw/zinc/28/16/79/1038281679.db2.gz FEPCIRRDNXJJIF-KNQAVFIVSA-N 1 0 366.461 2.815 20 10 FFCDRO COc1cc(C)c(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)c(O)c1 ZINC001236806933 1038281886 /nfs/dbraw/zinc/28/18/86/1038281886.db2.gz AXRWDPPJIGELFM-UHFFFAOYSA-N 1 0 356.470 2.517 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236924014 1038358697 /nfs/dbraw/zinc/35/86/97/1038358697.db2.gz JHXLEAOPNIXOTK-UHFFFAOYSA-N 1 0 366.889 2.952 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C2)O1 ZINC001236929642 1038361891 /nfs/dbraw/zinc/36/18/91/1038361891.db2.gz HTMZNEHINIAWGW-LJQANCHMSA-N 1 0 364.873 2.848 20 10 FFCDRO FC(F)(F)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236982982 1038396862 /nfs/dbraw/zinc/39/68/62/1038396862.db2.gz UIQGOIMEZZAIII-HNNXBMFYSA-N 1 0 363.811 2.513 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c(O)c1 ZINC001237042112 1038418954 /nfs/dbraw/zinc/41/89/54/1038418954.db2.gz WHBKVMVYPHFIOA-YOEHRIQHSA-N 1 0 358.463 2.947 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)c(O)c1 ZINC001237048277 1038421522 /nfs/dbraw/zinc/42/15/22/1038421522.db2.gz JAOKVSUHCZYTGG-OAQYLSRUSA-N 1 0 368.481 2.878 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]C2CCN(Cc3ccccc3O)CC2)CC1 ZINC001256235203 1038444374 /nfs/dbraw/zinc/44/43/74/1038444374.db2.gz IGJHNNGZCJYDTJ-UHFFFAOYSA-N 1 0 361.486 2.567 20 10 FFCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237113387 1038447404 /nfs/dbraw/zinc/44/74/04/1038447404.db2.gz WATFUQCVVOYIKG-CYBMUJFWSA-N 1 0 372.387 2.981 20 10 FFCDRO CCOC(=O)N1CCC([NH+]2CCN(c3ccc(OCC)cc3)CC2)CC1 ZINC001256247324 1038451817 /nfs/dbraw/zinc/45/18/17/1038451817.db2.gz LHVSRJDBQPFNFA-UHFFFAOYSA-N 1 0 361.486 2.828 20 10 FFCDRO CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237201882 1038474746 /nfs/dbraw/zinc/47/47/46/1038474746.db2.gz CIXKROWROJDTLB-UHFFFAOYSA-N 1 0 358.507 2.944 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](CCCc3cccnc3)CC2)cc1 ZINC001209184721 1038703027 /nfs/dbraw/zinc/70/30/27/1038703027.db2.gz LUKWYXCIOHSPQT-UHFFFAOYSA-N 1 0 355.482 2.862 20 10 FFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]CCc2cc(O)c(O)cc2O)cc1 ZINC001257147938 1038724703 /nfs/dbraw/zinc/72/47/03/1038724703.db2.gz AJFOKZFZLLAIEW-ZDUSSCGKSA-N 1 0 359.422 2.743 20 10 FFCDRO O=C(c1cc(Cl)ccc1NC[C@]1(O)CC[NH2+]C1)c1c(F)cccc1F ZINC001245961983 1039164554 /nfs/dbraw/zinc/16/45/54/1039164554.db2.gz IIVZCMADSSJGCJ-SFHVURJKSA-N 1 0 366.795 2.986 20 10 FFCDRO O=C1c2cccc(NC[C@]3(O)CCC[NH2+]C3)c2C(=O)c2cccc(Cl)c21 ZINC001245966302 1039166672 /nfs/dbraw/zinc/16/66/72/1039166672.db2.gz LQWNKTAMOFUTSE-FQEVSTJZSA-N 1 0 370.836 2.642 20 10 FFCDRO C[C@H](O)C[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001251962656 1039382849 /nfs/dbraw/zinc/38/28/49/1039382849.db2.gz JQQBZQZXBDAUOD-MEDUHNTESA-N 1 0 363.841 2.828 20 10 FFCDRO O=C1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCN1Cc1ccccc1 ZINC001258571956 1039434995 /nfs/dbraw/zinc/43/49/95/1039434995.db2.gz FUACAHVQTHVPPB-QGZVFWFLSA-N 1 0 370.449 2.517 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246793602 1039483064 /nfs/dbraw/zinc/48/30/64/1039483064.db2.gz UVVPYOQPRCDDQL-OALUTQOASA-N 1 0 359.514 2.791 20 10 FFCDRO COCCOCN1CC2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001278491156 1039880097 /nfs/dbraw/zinc/88/00/97/1039880097.db2.gz QOMUUROGSGWESR-UHFFFAOYSA-N 1 0 354.878 2.564 20 10 FFCDRO O=S(=O)(/C=C/c1ccccc1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001253083403 1039968795 /nfs/dbraw/zinc/96/87/95/1039968795.db2.gz NOZHVFPNALUCBQ-NTCAYCPXSA-N 1 0 372.490 2.947 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(C)CC[NH2+]C[C@H]3O)n2)cc1 ZINC001247828414 1039975632 /nfs/dbraw/zinc/97/56/32/1039975632.db2.gz ITANUGUDKPJBKV-XLIONFOSSA-N 1 0 352.438 2.756 20 10 FFCDRO CSCCCNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001247904314 1040033844 /nfs/dbraw/zinc/03/38/44/1040033844.db2.gz LPSOTNLWTSYATE-UHFFFAOYSA-N 1 0 353.557 2.574 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN3CC[NH2+]C[C@H]3C)n2)cc1 ZINC001248311750 1040222420 /nfs/dbraw/zinc/22/24/20/1040222420.db2.gz FGRNEGVJPGMQIZ-MRXNPFEDSA-N 1 0 351.454 2.938 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](C[C@@H](O)C(C)C)C3)C2)cc1 ZINC001253760911 1040357564 /nfs/dbraw/zinc/35/75/64/1040357564.db2.gz RPENTOGJHXLDQQ-NHCUHLMSSA-N 1 0 362.514 2.631 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253899143 1040440592 /nfs/dbraw/zinc/44/05/92/1040440592.db2.gz BICUDZYSKCKQMZ-DPMMWBKBSA-N 1 0 374.391 2.563 20 10 FFCDRO COc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001253973349 1040485109 /nfs/dbraw/zinc/48/51/09/1040485109.db2.gz XXRLOXVFJUOSRG-LJQANCHMSA-N 1 0 356.466 2.825 20 10 FFCDRO COc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001253973333 1040485222 /nfs/dbraw/zinc/48/52/22/1040485222.db2.gz XXRLOXVFJUOSRG-IBGZPJMESA-N 1 0 356.466 2.825 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001249216472 1040630679 /nfs/dbraw/zinc/63/06/79/1040630679.db2.gz ANTZAQKHZQEEGE-UHFFFAOYSA-N 1 0 372.440 2.959 20 10 FFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249252631 1040654259 /nfs/dbraw/zinc/65/42/59/1040654259.db2.gz NUWKPLOWTLKXKP-MRXNPFEDSA-N 1 0 374.481 2.694 20 10 FFCDRO CC1(C)C=Cc2c(O)c(CN3Cc4ccnn4CC[C@H]3CO)ccc2O1 ZINC001249259366 1040654368 /nfs/dbraw/zinc/65/43/68/1040654368.db2.gz UTYBKGCXGGFXSS-INIZCTEOSA-N 1 0 355.438 2.540 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2cccc(C3OCCO3)c2)no1)c1ccccc1O ZINC001249339096 1040690352 /nfs/dbraw/zinc/69/03/52/1040690352.db2.gz IKXDIRBWZNDLHW-OAHLLOKOSA-N 1 0 353.378 2.730 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC001249726241 1040962881 /nfs/dbraw/zinc/96/28/81/1040962881.db2.gz YYAJNUPIFISUIE-INIZCTEOSA-N 1 0 365.470 2.709 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC001249733305 1040968867 /nfs/dbraw/zinc/96/88/67/1040968867.db2.gz FCHBNMJCZGRRGT-KRWDZBQOSA-N 1 0 364.486 2.640 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)c(O)c1 ZINC001249736857 1040970160 /nfs/dbraw/zinc/97/01/60/1040970160.db2.gz CKQUWQMSKVRHBJ-KRWDZBQOSA-N 1 0 364.486 2.640 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@H]2CCCOC2)c(O)c1 ZINC001249742969 1040971861 /nfs/dbraw/zinc/97/18/61/1040971861.db2.gz DSHBBITWLMHOLW-INIZCTEOSA-N 1 0 351.443 2.725 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)[C@@H]2C1 ZINC001278558325 1041152097 /nfs/dbraw/zinc/15/20/97/1041152097.db2.gz TZQJSBLCGQYIBD-WMLDXEAASA-N 1 0 360.889 2.968 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)c1 ZINC001278568813 1041202796 /nfs/dbraw/zinc/20/27/96/1041202796.db2.gz IQANTXXPTRXSIH-ROUUACIJSA-N 1 0 372.490 2.880 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)c3cccc(OC)c3)CC2)cc1 ZINC001250714947 1041322698 /nfs/dbraw/zinc/32/26/98/1041322698.db2.gz DKJQWYDKEMNPSF-NRFANRHFSA-N 1 0 356.466 2.950 20 10 FFCDRO C[NH2+]C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC001263101727 1042104715 /nfs/dbraw/zinc/10/47/15/1042104715.db2.gz AIMFFHFMZLXHOA-ZDUSSCGKSA-N 1 0 353.413 2.515 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001279141469 1042916246 /nfs/dbraw/zinc/91/62/46/1042916246.db2.gz SLMGSIVHFFGRIQ-OKZBNKHCSA-N 1 0 354.450 2.653 20 10 FFCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(N(C)C)cc2)C3)n(C)n1 ZINC001279150148 1042920664 /nfs/dbraw/zinc/92/06/64/1042920664.db2.gz SRLAATJNYRTTNI-NQIIRXRSSA-N 1 0 353.514 2.501 20 10 FFCDRO COCCOCN1CCC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001279197715 1042942839 /nfs/dbraw/zinc/94/28/39/1042942839.db2.gz YAUVWDYLZVCJIH-FQEVSTJZSA-N 1 0 366.477 2.830 20 10 FFCDRO O=C(Cc1ccsc1)N1CC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001279220191 1042949558 /nfs/dbraw/zinc/94/95/58/1042949558.db2.gz AGMAFFILRQEUCI-UHFFFAOYSA-N 1 0 372.490 2.826 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001279235252 1042959268 /nfs/dbraw/zinc/95/92/68/1042959268.db2.gz NZAQMGKSUJLGJV-OAQYLSRUSA-N 1 0 362.514 2.917 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237215003 1043058989 /nfs/dbraw/zinc/05/89/89/1043058989.db2.gz IVOPZKVJHMCMPK-UYAOXDASSA-N 1 0 364.530 2.974 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237410253 1043146429 /nfs/dbraw/zinc/14/64/29/1043146429.db2.gz CJKHEZNXJNEHJW-YJBOKZPZSA-N 1 0 355.482 2.929 20 10 FFCDRO c1n[nH]cc1CN1CC2(C1)C[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001279533685 1043232097 /nfs/dbraw/zinc/23/20/97/1043232097.db2.gz IASGKTJUIQSXEF-UHFFFAOYSA-N 1 0 351.498 2.718 20 10 FFCDRO O=C(c1ccccc1)c1ccccc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237604325 1043263651 /nfs/dbraw/zinc/26/36/51/1043263651.db2.gz FMQUKZQZIDUVLC-UHFFFAOYSA-N 1 0 358.463 2.659 20 10 FFCDRO Cc1cc(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC001237677713 1043304690 /nfs/dbraw/zinc/30/46/90/1043304690.db2.gz CDCPUTYMIIAISF-HNNXBMFYSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cc(CN2CC[NH+](CCc3cccs3)CC2)c(O)c(OC)c1 ZINC001237675888 1043304754 /nfs/dbraw/zinc/30/47/54/1043304754.db2.gz IDRWTNMJRDFEAR-UHFFFAOYSA-N 1 0 362.495 2.831 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c(O)c(OC)c1 ZINC001237678057 1043305773 /nfs/dbraw/zinc/30/57/73/1043305773.db2.gz JTNSRYLMCCKXMB-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(O)c(OC)c1 ZINC001237684799 1043311389 /nfs/dbraw/zinc/31/13/89/1043311389.db2.gz RPSKNYDCRSGMLK-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001279666462 1043431653 /nfs/dbraw/zinc/43/16/53/1043431653.db2.gz HTSMLPAMPZNZOU-UZLBHIALSA-N 1 0 356.466 2.672 20 10 FFCDRO Oc1cc(Cl)c(F)cc1CN1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001237939537 1043445849 /nfs/dbraw/zinc/44/58/49/1043445849.db2.gz YCQGQGXSAIGEHD-UHFFFAOYSA-N 1 0 364.852 2.993 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3O)[C@@H]2C1 ZINC001279686113 1043467359 /nfs/dbraw/zinc/46/73/59/1043467359.db2.gz NKXKFSJLBAIMMN-XJKSGUPXSA-N 1 0 374.403 2.538 20 10 FFCDRO C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(F)c3[O-])(C1)CCC2 ZINC001279696784 1043485783 /nfs/dbraw/zinc/48/57/83/1043485783.db2.gz IBTJJEREVKNRQU-RBUKOAKNSA-N 1 0 353.457 2.757 20 10 FFCDRO Cc1noc(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2ccc(N(C)C)cc2)C3)c1C ZINC001279743461 1043572804 /nfs/dbraw/zinc/57/28/04/1043572804.db2.gz KNJREBZGXPJQQJ-OXQOHEQNSA-N 1 0 354.454 2.818 20 10 FFCDRO CC[NH+](CC)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001310900174 1043763857 /nfs/dbraw/zinc/76/38/57/1043763857.db2.gz KSXPHSBNCJIXKU-UHFFFAOYSA-N 1 0 352.442 2.860 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4C[C@]43C(=O)N3CCCCO3)ccc21 ZINC001279882369 1043842264 /nfs/dbraw/zinc/84/22/64/1043842264.db2.gz SOCTVYOSYOENGQ-GHTZIAJQSA-N 1 0 355.482 2.587 20 10 FFCDRO O=S(=O)(NCCO[C@@H]1CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238810653 1043906309 /nfs/dbraw/zinc/90/63/09/1043906309.db2.gz DWKPETSCCSWRFN-BFQBXFRASA-N 1 0 374.466 2.759 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001279982263 1044032189 /nfs/dbraw/zinc/03/21/89/1044032189.db2.gz CGCAEUYOJKGZRO-BBRMVZONSA-N 1 0 353.260 2.632 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001312078774 1044034240 /nfs/dbraw/zinc/03/42/40/1044034240.db2.gz LIFGNTFABUGAIJ-LJQANCHMSA-N 1 0 356.514 2.913 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NCC(F)F)c(O)c1 ZINC001280034613 1044111396 /nfs/dbraw/zinc/11/13/96/1044111396.db2.gz BJAMYWGYQAXBCI-KUHUBIRLSA-N 1 0 367.440 2.584 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c(O)c1 ZINC001280035694 1044114284 /nfs/dbraw/zinc/11/42/84/1044114284.db2.gz XUYSTXZDIRSVHV-LAUBAEHRSA-N 1 0 355.482 2.601 20 10 FFCDRO O=C(Nc1cn[nH]c1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292106 1044559863 /nfs/dbraw/zinc/55/98/63/1044559863.db2.gz HKIWPNFBARHWSJ-APWZRJJASA-N 1 0 358.417 2.885 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N4CC(F)(C5CC5)C4)(C2)C3)c1O ZINC001280350004 1044639946 /nfs/dbraw/zinc/63/99/46/1044639946.db2.gz XLQXVOKVXZPGMC-UHFFFAOYSA-N 1 0 358.457 2.982 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC001318717850 1044835856 /nfs/dbraw/zinc/83/58/56/1044835856.db2.gz NNIOJACVVNCMFA-VDGAXYAQSA-N 1 0 374.529 2.756 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC([C@@H]4CCOC4)CC3)cc2F)CC1 ZINC001320967417 1045503624 /nfs/dbraw/zinc/50/36/24/1045503624.db2.gz GPCPMQUSCGMXSL-LJQANCHMSA-N 1 0 361.505 2.826 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3cnn4ccccc34)cc2F)CC1 ZINC001323560986 1045640111 /nfs/dbraw/zinc/64/01/11/1045640111.db2.gz PRTKFMXOFJHACK-UHFFFAOYSA-N 1 0 353.445 2.515 20 10 FFCDRO NC(=O)C1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000727645501 1045943119 /nfs/dbraw/zinc/94/31/19/1045943119.db2.gz NRJBMHVAJYCQOY-UHFFFAOYSA-N 1 0 360.458 2.719 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@](C)(CO)C3CCCCC3)cc2F)CC1 ZINC001324924418 1046291354 /nfs/dbraw/zinc/29/13/54/1046291354.db2.gz PHKJSMQRFTVMLW-OAQYLSRUSA-N 1 0 363.521 2.998 20 10 FFCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CO2 ZINC001325317101 1046465656 /nfs/dbraw/zinc/46/56/56/1046465656.db2.gz YQMJGFOYEXKEBK-KRWDZBQOSA-N 1 0 372.440 2.764 20 10 FFCDRO Cc1nc(CSCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC001326353181 1046893097 /nfs/dbraw/zinc/89/30/97/1046893097.db2.gz LUQVGEZBNRNGHD-MRXNPFEDSA-N 1 0 364.540 2.567 20 10 FFCDRO Cc1cc(C(=O)NCCCC[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC001326611499 1046999605 /nfs/dbraw/zinc/99/96/05/1046999605.db2.gz HAIMSLMTRWAKBR-UHFFFAOYSA-N 1 0 365.275 2.720 20 10 FFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001326688337 1047036439 /nfs/dbraw/zinc/03/64/39/1047036439.db2.gz QDBOQDBDDZRVAR-NVXWUHKLSA-N 1 0 358.511 2.919 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)cc2F)CC1 ZINC001327121412 1047196346 /nfs/dbraw/zinc/19/63/46/1047196346.db2.gz QMFHTJYYUTVJET-AZUAARDMSA-N 1 0 361.505 2.969 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3ncn(C)c32)[NH+](C)C)cc1 ZINC001289602347 1047708398 /nfs/dbraw/zinc/70/83/98/1047708398.db2.gz OYRZHRITDYCEPB-LJQANCHMSA-N 1 0 365.481 2.672 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCCC4(CC[NH2+]CC4)C3)ccc21 ZINC001327471567 1047911420 /nfs/dbraw/zinc/91/14/20/1047911420.db2.gz WWPIDNPYCYSNOI-UHFFFAOYSA-N 1 0 356.514 2.744 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cnc(C)cc1C ZINC001327757723 1048029334 /nfs/dbraw/zinc/02/93/34/1048029334.db2.gz PGTUUSPYVOOLPU-UHFFFAOYSA-N 1 0 369.465 2.849 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC001329485700 1048737580 /nfs/dbraw/zinc/73/75/80/1048737580.db2.gz DGIRTRTULKXZIN-NQIIRXRSSA-N 1 0 365.477 2.612 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC001329755632 1048894638 /nfs/dbraw/zinc/89/46/38/1048894638.db2.gz SKYQNPQBXWHGIB-FQEVSTJZSA-N 1 0 353.466 2.977 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001292235464 1049201973 /nfs/dbraw/zinc/20/19/73/1049201973.db2.gz KLFCUEFLAMUQPD-HKUYNNGSSA-N 1 0 359.514 2.821 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[NH2+]C(C)(C)C ZINC001334386786 1049402596 /nfs/dbraw/zinc/40/25/96/1049402596.db2.gz IWBHOFKAOFUKFM-UHFFFAOYSA-N 1 0 363.502 2.763 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC001297728771 1050271330 /nfs/dbraw/zinc/27/13/30/1050271330.db2.gz QEIZXNRUPXUZQJ-SFHVURJKSA-N 1 0 373.472 2.810 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)cc1 ZINC001340045101 1050455727 /nfs/dbraw/zinc/45/57/27/1050455727.db2.gz PVFMJYNPYANDFX-HOJAQTOUSA-N 1 0 359.514 2.696 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NCC[C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC001342239136 1050829856 /nfs/dbraw/zinc/82/98/56/1050829856.db2.gz RLUNATXSAMHFGJ-AWEZNQCLSA-N 1 0 358.511 2.826 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC001302816365 1051203883 /nfs/dbraw/zinc/20/38/83/1051203883.db2.gz ITVKSUDVBKHPCH-NRFANRHFSA-N 1 0 355.482 2.541 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001303801365 1051451210 /nfs/dbraw/zinc/45/12/10/1051451210.db2.gz MSYBSDFLFWREHF-KDOFPFPSSA-N 1 0 355.482 2.738 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001542490753 1071242312 /nfs/dbraw/zinc/24/23/12/1071242312.db2.gz XQSFPIOBVRJXDF-XLIONFOSSA-N 1 0 361.530 2.848 20 10 FFCDRO Brc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC001308224021 1052433747 /nfs/dbraw/zinc/43/37/47/1052433747.db2.gz CEDMUJKQGJUZEU-UHFFFAOYSA-N 1 0 362.271 2.971 20 10 FFCDRO CNC(=O)c1ccc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001308320248 1052445990 /nfs/dbraw/zinc/44/59/90/1052445990.db2.gz UENYBRXSBSMKIE-UHFFFAOYSA-N 1 0 352.482 2.719 20 10 FFCDRO COc1ccc(C[NH2+]CCNc2ccc(C)cn2)cc1Cn1cccn1 ZINC001308531011 1052465620 /nfs/dbraw/zinc/46/56/20/1052465620.db2.gz YDNMAZHFOGXYSV-UHFFFAOYSA-N 1 0 351.454 2.845 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC2SCCS2)c2cc(F)ccc2n1C ZINC001308882108 1052511468 /nfs/dbraw/zinc/51/14/68/1052511468.db2.gz ZEGLKLRLNSPHLE-UHFFFAOYSA-N 1 0 354.472 3.000 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@]12CCCO2 ZINC001308972054 1052529064 /nfs/dbraw/zinc/52/90/64/1052529064.db2.gz MQEIVJRMDIBZPM-DOIPELPJSA-N 1 0 361.530 2.672 20 10 FFCDRO O=C(N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001346699379 1053234346 /nfs/dbraw/zinc/23/43/46/1053234346.db2.gz HIBBUYSDABZMIM-UWJYYQICSA-N 1 0 365.433 2.673 20 10 FFCDRO CC[C@H](O)C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001335351498 1053311319 /nfs/dbraw/zinc/31/13/19/1053311319.db2.gz OHHICHWUZHXUCU-IRXDYDNUSA-N 1 0 351.491 2.679 20 10 FFCDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C[N@@H+]2C1 ZINC001543098871 1071380935 /nfs/dbraw/zinc/38/09/35/1071380935.db2.gz NRDIKKQNIXWNJA-POAQFYNOSA-N 1 0 373.566 2.976 20 10 FFCDRO CC[C@@H](C)n1nccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001347351174 1053877535 /nfs/dbraw/zinc/87/75/35/1053877535.db2.gz HNIOUIAKGJQMTP-DNVCBOLYSA-N 1 0 357.502 2.953 20 10 FFCDRO CCc1cc(N2CCC([NH2+]Cc3ccc(OC)c(OC)c3O)CC2)ncn1 ZINC001336735156 1054176992 /nfs/dbraw/zinc/17/69/92/1054176992.db2.gz KGSWAFOBEFPMSI-UHFFFAOYSA-N 1 0 372.469 2.520 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1O ZINC000848906062 1055342107 /nfs/dbraw/zinc/34/21/07/1055342107.db2.gz QJCMQURWKBIGKT-OAHLLOKOSA-N 1 0 370.497 2.642 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000848911106 1055351025 /nfs/dbraw/zinc/35/10/25/1055351025.db2.gz QHGAGYAMWPBPAS-QZTJIDSGSA-N 1 0 362.470 2.824 20 10 FFCDRO Cc1cccc(NC(=[NH2+])NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000849070058 1055628627 /nfs/dbraw/zinc/62/86/27/1055628627.db2.gz AZPDMRIUNDCYHC-QGZVFWFLSA-N 1 0 365.481 2.833 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@H]2[NH2+]CC23CCOCC3)cc1)C1CCCCC1 ZINC001357145747 1055795208 /nfs/dbraw/zinc/79/52/08/1055795208.db2.gz RNPULCBTVPGAKW-HXUWFJFHSA-N 1 0 371.525 2.840 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001353330187 1056301618 /nfs/dbraw/zinc/30/16/18/1056301618.db2.gz RPYWUQJJVANCQI-KXBFYZLASA-N 1 0 357.410 2.505 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](Cc3ccc(Cl)cc3)C(N)=O)C2)cc1 ZINC000849323474 1056828600 /nfs/dbraw/zinc/82/86/00/1056828600.db2.gz YJMMAXGSGCDVMA-LPHOPBHVSA-N 1 0 373.884 2.614 20 10 FFCDRO Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n(C2CC[NH+](C)CC2)n1 ZINC001545181077 1071743458 /nfs/dbraw/zinc/74/34/58/1071743458.db2.gz SHLIEOIJRBVQKM-UHFFFAOYSA-N 1 0 369.429 2.873 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC001460621035 1061035430 /nfs/dbraw/zinc/03/54/30/1061035430.db2.gz NFTHXAHMCZNBCB-SFHVURJKSA-N 1 0 362.357 2.639 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001461633805 1061366330 /nfs/dbraw/zinc/36/63/30/1061366330.db2.gz RIQRVKAMSLRSCA-HXUWFJFHSA-N 1 0 371.477 2.730 20 10 FFCDRO Cc1nn(C)c(C)c1[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001461829547 1061419658 /nfs/dbraw/zinc/41/96/58/1061419658.db2.gz LIMGIOKBHAPXTP-MRXNPFEDSA-N 1 0 370.419 2.945 20 10 FFCDRO COC(=O)c1c(CN2CC[NH+](CC(C)C)CC2)c2cc(F)ccc2n1C ZINC001462018138 1061478264 /nfs/dbraw/zinc/47/82/64/1061478264.db2.gz LCRIFFXEUUZRSY-UHFFFAOYSA-N 1 0 361.461 2.878 20 10 FFCDRO COC(=O)c1cc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n(C)c1C ZINC001462406332 1061612397 /nfs/dbraw/zinc/61/23/97/1061612397.db2.gz UIRUGPFAWLWTBE-UHFFFAOYSA-N 1 0 359.470 2.697 20 10 FFCDRO Cc1ccccc1COCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462483646 1061641379 /nfs/dbraw/zinc/64/13/79/1061641379.db2.gz FYAKNNWZGSDBPA-UHFFFAOYSA-N 1 0 367.493 2.580 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)CN1CCc2ccccc2C1 ZINC000775974010 1062141161 /nfs/dbraw/zinc/14/11/61/1062141161.db2.gz SVCCWAAGLGKBQK-HSZRJFAPSA-N 1 0 365.521 2.796 20 10 FFCDRO CO[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001479533593 1062504678 /nfs/dbraw/zinc/50/46/78/1062504678.db2.gz HLQNUWHLHKEYMO-ZWKOTPCHSA-N 1 0 364.534 2.716 20 10 FFCDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H]1F ZINC001471545346 1064711344 /nfs/dbraw/zinc/71/13/44/1064711344.db2.gz QVYPFWPXSPYSOQ-FHLIZLRMSA-N 1 0 350.482 2.745 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1F ZINC001473920487 1065420574 /nfs/dbraw/zinc/42/05/74/1065420574.db2.gz XIFBTWMVYVSUNU-UHFFFAOYSA-N 1 0 351.447 2.553 20 10 FFCDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001474125944 1065460751 /nfs/dbraw/zinc/46/07/51/1065460751.db2.gz CHRWAUSCTGKTCW-INIZCTEOSA-N 1 0 374.506 2.858 20 10 FFCDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCOC1 ZINC001474652814 1065571380 /nfs/dbraw/zinc/57/13/80/1065571380.db2.gz TYDBMTUIQZIRDP-INIZCTEOSA-N 1 0 372.259 2.604 20 10 FFCDRO CCc1nnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578317347 1078462413 /nfs/dbraw/zinc/46/24/13/1078462413.db2.gz KRIJUSQKEHJDKQ-ZBFHGGJFSA-N 1 0 374.508 2.658 20 10 FFCDRO COC(=O)c1c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2cc(F)ccc2n1C ZINC001578850318 1078533991 /nfs/dbraw/zinc/53/39/91/1078533991.db2.gz DNYXCWDNNLPLLS-MJEQTWJJSA-N 1 0 359.445 2.663 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC001579589504 1078646852 /nfs/dbraw/zinc/64/68/52/1078646852.db2.gz JIGKRHYRAZIIIU-PKOBYXMFSA-N 1 0 353.466 2.693 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1[NH2+]CC[C@@H]1C ZINC001579903253 1078711028 /nfs/dbraw/zinc/71/10/28/1078711028.db2.gz PRYRSHCVOSLLSX-JXFKEZNVSA-N 1 0 368.529 2.821 20 10 FFCDRO [NH3+][C@H]1CCSC2(CC(C(=O)NCc3ccc4cccnc4c3O)C2)C1 ZINC001580198064 1078763915 /nfs/dbraw/zinc/76/39/15/1078763915.db2.gz CJFANRGPBJLXMM-HVEKOLDVSA-N 1 0 357.479 2.560 20 10 FFCDRO Cc1ccccc1CN1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001560562622 1076279978 /nfs/dbraw/zinc/27/99/78/1076279978.db2.gz CAYGICRTUISSIB-OAQYLSRUSA-N 1 0 352.478 2.921 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc(N(C)C)cc3C)CC2=O)cc1 ZINC001560925879 1076310442 /nfs/dbraw/zinc/31/04/42/1076310442.db2.gz WUZRZDHHACNNAU-KRWDZBQOSA-N 1 0 353.466 2.965 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589950981 1080895756 /nfs/dbraw/zinc/89/57/56/1080895756.db2.gz ZJHYNEIIISBOGA-SOUVJXGZSA-N 1 0 370.501 2.876 20 10 FFCDRO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590260425 1081128593 /nfs/dbraw/zinc/12/85/93/1081128593.db2.gz QTUYPEFSPVQJCZ-LSDHHAIUSA-N 1 0 358.490 2.735 20 10 FFCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)ccc1O ZINC000368990836 512171473 /nfs/dbraw/zinc/17/14/73/512171473.db2.gz PEYVVWTXHHMBJG-GFCCVEGCSA-N 1 0 367.247 2.517 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCc2ccccc21 ZINC000366920882 512251658 /nfs/dbraw/zinc/25/16/58/512251658.db2.gz IUVIBYCIJPIDEQ-JOCHJYFZSA-N 1 0 352.478 2.837 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116303 507910134 /nfs/dbraw/zinc/91/01/34/507910134.db2.gz KEJDWAIEYLMKDI-ZWKOTPCHSA-N 1 0 355.486 2.722 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1O ZINC000092535238 508079972 /nfs/dbraw/zinc/07/99/72/508079972.db2.gz HNYZPBWGDIGMNL-UHFFFAOYSA-N 1 0 372.440 2.817 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1O ZINC000077208613 508287848 /nfs/dbraw/zinc/28/78/48/508287848.db2.gz ZJUVMKROBJSSOD-OAHLLOKOSA-N 1 0 359.426 2.630 20 10 FFCDRO O=C(CC[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134258785 508514011 /nfs/dbraw/zinc/51/40/11/508514011.db2.gz XYZNVGNGSPXKAG-PBHICJAKSA-N 1 0 366.889 2.943 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=COCCC1 ZINC000134258582 508514400 /nfs/dbraw/zinc/51/44/00/508514400.db2.gz RQKHXCGWXXVXOQ-MRXNPFEDSA-N 1 0 350.846 2.821 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000157070508 508519096 /nfs/dbraw/zinc/51/90/96/508519096.db2.gz BHIHZYPAZLWSAM-OAHLLOKOSA-N 1 0 369.465 2.991 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000152864270 508525534 /nfs/dbraw/zinc/52/55/34/508525534.db2.gz FPZCSFLXDHEONW-NQIIRXRSSA-N 1 0 370.493 2.922 20 10 FFCDRO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000128043578 508539713 /nfs/dbraw/zinc/53/97/13/508539713.db2.gz BDLHQASJKQEKHA-IBGZPJMESA-N 1 0 361.511 2.683 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000158108819 508658469 /nfs/dbraw/zinc/65/84/69/508658469.db2.gz ULXBUADCOYKGBL-MRXNPFEDSA-N 1 0 352.862 2.553 20 10 FFCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000377702107 512408885 /nfs/dbraw/zinc/40/88/85/512408885.db2.gz UGAUVYNNWCLDGE-UHFFFAOYSA-N 1 0 352.847 2.748 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3c(Cl)cnn3C)cc2F)CC1 ZINC000131317868 508914792 /nfs/dbraw/zinc/91/47/92/508914792.db2.gz VFTHDOLHJLXHLP-UHFFFAOYSA-N 1 0 365.884 2.644 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(N(C)C)cc1 ZINC000132006906 508988650 /nfs/dbraw/zinc/98/86/50/508988650.db2.gz QKQKYZTUXNPBGX-LJQANCHMSA-N 1 0 361.511 2.902 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000155605984 509036609 /nfs/dbraw/zinc/03/66/09/509036609.db2.gz KLTCNUFUYZVLIQ-LBPRGKRZSA-N 1 0 350.278 2.630 20 10 FFCDRO CC[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+](CC)CC ZINC000266931262 509263983 /nfs/dbraw/zinc/26/39/83/509263983.db2.gz ZAFWOLKBBOCKBZ-FQEVSTJZSA-N 1 0 361.530 2.632 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192026968 509303444 /nfs/dbraw/zinc/30/34/44/509303444.db2.gz KVTFCZUGACTRNB-HXUWFJFHSA-N 1 0 356.466 2.782 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189061596 509392224 /nfs/dbraw/zinc/39/22/24/509392224.db2.gz LHMRDANWTUHWKF-ACJLOTCBSA-N 1 0 358.413 2.992 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)C2=O)n(C)n1 ZINC000186083349 509514879 /nfs/dbraw/zinc/51/48/79/509514879.db2.gz UIDATNRJIGEQDH-KSSFIOAISA-N 1 0 368.481 2.769 20 10 FFCDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000186128293 509534984 /nfs/dbraw/zinc/53/49/84/509534984.db2.gz QYTSEMHTHZSLNC-HNNXBMFYSA-N 1 0 360.498 2.949 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000237266591 509607839 /nfs/dbraw/zinc/60/78/39/509607839.db2.gz CWPZTRVKJFUCEL-SFHVURJKSA-N 1 0 357.429 2.573 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1O ZINC000186375683 509678349 /nfs/dbraw/zinc/67/83/49/509678349.db2.gz JQEWJWDGSFEZPL-DGCLKSJQSA-N 1 0 372.259 2.727 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2=O)c(O)c1 ZINC000173854304 509817571 /nfs/dbraw/zinc/81/75/71/509817571.db2.gz BDXVTTBRSRGWRE-KRWDZBQOSA-N 1 0 372.469 2.508 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189971582 509860692 /nfs/dbraw/zinc/86/06/92/509860692.db2.gz LDULQIJRCOXYMG-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1O ZINC000265104725 509862808 /nfs/dbraw/zinc/86/28/08/509862808.db2.gz UPHGFMRSMBXTLA-UHFFFAOYSA-N 1 0 367.405 2.852 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c(C)o1 ZINC000171045316 509906025 /nfs/dbraw/zinc/90/60/25/509906025.db2.gz KIFQVEKJWIOJCA-UHFFFAOYSA-N 1 0 372.421 2.725 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000183701520 509934721 /nfs/dbraw/zinc/93/47/21/509934721.db2.gz WUTJEQICAFFMNI-GOSISDBHSA-N 1 0 372.465 2.568 20 10 FFCDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cc(F)ccc1O ZINC000180535562 509972426 /nfs/dbraw/zinc/97/24/26/509972426.db2.gz CJURCTMCORYMKQ-UHFFFAOYSA-N 1 0 366.458 2.898 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cncc(F)c3)CC2)cc1 ZINC000268828696 510093717 /nfs/dbraw/zinc/09/37/17/510093717.db2.gz NYCLREGSEJEKFV-MRXNPFEDSA-N 1 0 358.461 2.702 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000187407418 510247672 /nfs/dbraw/zinc/24/76/72/510247672.db2.gz QEOVEURIFXCRBJ-VQHVLOKHSA-N 1 0 367.449 2.892 20 10 FFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1c1nccn2cnnc12 ZINC000269298576 510329753 /nfs/dbraw/zinc/32/97/53/510329753.db2.gz BHNPYQMHRKKGOK-HNNXBMFYSA-N 1 0 374.448 2.694 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000266158587 510439387 /nfs/dbraw/zinc/43/93/87/510439387.db2.gz MXIPRQULGJBQHF-IBGZPJMESA-N 1 0 368.456 2.820 20 10 FFCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000184732763 510489437 /nfs/dbraw/zinc/48/94/37/510489437.db2.gz AYHPDZACMWOGTI-LJQANCHMSA-N 1 0 354.498 2.711 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000270314238 510757281 /nfs/dbraw/zinc/75/72/81/510757281.db2.gz GQTVDBHSRFGXNF-LBPRGKRZSA-N 1 0 355.276 2.893 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1O ZINC000182185082 510802959 /nfs/dbraw/zinc/80/29/59/510802959.db2.gz CZBCYHFUBOGRRH-FQEVSTJZSA-N 1 0 372.440 2.897 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000185339708 510813717 /nfs/dbraw/zinc/81/37/17/510813717.db2.gz AXIDYSNQUYYRPO-HNNXBMFYSA-N 1 0 368.481 2.648 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)ccc1OC ZINC000275493337 510901099 /nfs/dbraw/zinc/90/10/99/510901099.db2.gz JDUDSJWHQXJGML-HKUYNNGSSA-N 1 0 359.470 2.975 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000277158943 510955936 /nfs/dbraw/zinc/95/59/36/510955936.db2.gz FNQMPOFFVQNXFS-OAHLLOKOSA-N 1 0 367.559 2.996 20 10 FFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000278002716 510977569 /nfs/dbraw/zinc/97/75/69/510977569.db2.gz VJPJIPKCZYECDD-TZMCWYRMSA-N 1 0 364.442 2.856 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000285636398 510988968 /nfs/dbraw/zinc/98/89/68/510988968.db2.gz KSVOTBZVVLTZHQ-FUUYNRHESA-N 1 0 371.525 2.635 20 10 FFCDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000278545866 510998786 /nfs/dbraw/zinc/99/87/86/510998786.db2.gz YHICZMHPWFSDBD-CQSZACIVSA-N 1 0 365.275 2.647 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278899766 511013168 /nfs/dbraw/zinc/01/31/68/511013168.db2.gz FOSIPLKSOCAYSR-JKSUJKDBSA-N 1 0 358.461 2.772 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297689200 511035151 /nfs/dbraw/zinc/03/51/51/511035151.db2.gz LVBOQEOVHQTAAG-CXAGYDPISA-N 1 0 360.479 2.981 20 10 FFCDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1O ZINC000282652756 511061266 /nfs/dbraw/zinc/06/12/66/511061266.db2.gz LIHBGFBOLGNHBT-UHFFFAOYSA-N 1 0 363.479 2.538 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ocnc3C3CC3)cc2F)CC1 ZINC000289611310 511106756 /nfs/dbraw/zinc/10/67/56/511106756.db2.gz FBEDURCTKVSFIY-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO CCCOc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(O)c1 ZINC000294662424 511135367 /nfs/dbraw/zinc/13/53/67/511135367.db2.gz AFIQGANNQONBAL-DOTOQJQBSA-N 1 0 354.450 2.962 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000294912131 511219112 /nfs/dbraw/zinc/21/91/12/511219112.db2.gz WPDVMLXNKCSPCW-KGLIPLIRSA-N 1 0 369.508 2.556 20 10 FFCDRO Cc1cc(C2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)[nH]n1 ZINC000271580358 511251299 /nfs/dbraw/zinc/25/12/99/511251299.db2.gz BYZZFIMDBBGTRL-UHFFFAOYSA-N 1 0 369.513 2.622 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC[NH2+]1 ZINC000279912337 511263542 /nfs/dbraw/zinc/26/35/42/511263542.db2.gz LSDRBEKUCWFDRS-XKGZKEIXSA-N 1 0 359.514 2.648 20 10 FFCDRO COCC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[NH2+]CC1 ZINC000279947268 511277409 /nfs/dbraw/zinc/27/74/09/511277409.db2.gz SHTQPUKWTREQRM-UHFFFAOYSA-N 1 0 359.514 2.555 20 10 FFCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295239925 511332739 /nfs/dbraw/zinc/33/27/39/511332739.db2.gz SOQGVLCEAPGFPK-UHFFFAOYSA-N 1 0 352.525 2.909 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000295686869 511483798 /nfs/dbraw/zinc/48/37/98/511483798.db2.gz CWMVVZWUEOQJBM-IBGZPJMESA-N 1 0 352.482 2.643 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCCOCCOCc1ccccc1)OCO2 ZINC000272609583 511501359 /nfs/dbraw/zinc/50/13/59/511501359.db2.gz UHIBADXIIBJRIW-UHFFFAOYSA-N 1 0 359.422 2.834 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446047 511526019 /nfs/dbraw/zinc/52/60/19/511526019.db2.gz ZWRCQMPTYHQPRA-KGLIPLIRSA-N 1 0 372.425 2.771 20 10 FFCDRO O=C(c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1)N1CCOCC1 ZINC000295989518 511581197 /nfs/dbraw/zinc/58/11/97/511581197.db2.gz NRESYOXAXOUIJL-GOSISDBHSA-N 1 0 352.434 2.642 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1OC ZINC000299465989 511646949 /nfs/dbraw/zinc/64/69/49/511646949.db2.gz BJFWBTOZYWTZRU-MRXNPFEDSA-N 1 0 373.453 2.512 20 10 FFCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292790273 511720751 /nfs/dbraw/zinc/72/07/51/511720751.db2.gz MISHJMIJNHKAIG-SFHVURJKSA-N 1 0 360.479 2.525 20 10 FFCDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2CO1 ZINC000281281208 511787577 /nfs/dbraw/zinc/78/75/77/511787577.db2.gz OIZQUWSZGQABTB-MJGOQNOKSA-N 1 0 368.433 2.902 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1O ZINC000363869558 511819213 /nfs/dbraw/zinc/81/92/13/511819213.db2.gz RIYCFSRLGKITOA-YPMHNXCESA-N 1 0 365.275 2.818 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c(O)c1C ZINC000284851723 511899119 /nfs/dbraw/zinc/89/91/19/511899119.db2.gz OZRQJIRZKXUKPF-IDHHARJASA-N 1 0 356.470 2.755 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000297112380 512024539 /nfs/dbraw/zinc/02/45/39/512024539.db2.gz YCIJWTZBOLUWQA-QZTJIDSGSA-N 1 0 352.434 2.779 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000285251546 512052929 /nfs/dbraw/zinc/05/29/29/512052929.db2.gz PZOVQTMQDQLLRV-LRDDRELGSA-N 1 0 357.376 2.843 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375694324 512459523 /nfs/dbraw/zinc/45/95/23/512459523.db2.gz UXZFDXRFKYYLFU-HNNXBMFYSA-N 1 0 366.259 2.823 20 10 FFCDRO O=C(Cc1ccncc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378603039 512845116 /nfs/dbraw/zinc/84/51/16/512845116.db2.gz YJLIESNTQODERL-QGZVFWFLSA-N 1 0 359.857 2.764 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1O ZINC000368325380 512900516 /nfs/dbraw/zinc/90/05/16/512900516.db2.gz ZZDRVTFBXZOEEK-UBHSHLNASA-N 1 0 355.276 2.669 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1O ZINC000374777451 512997659 /nfs/dbraw/zinc/99/76/59/512997659.db2.gz GSEAXLIGOBRMKA-AWEZNQCLSA-N 1 0 358.442 2.852 20 10 FFCDRO O=C(C[C@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370809912 513107199 /nfs/dbraw/zinc/10/71/99/513107199.db2.gz KVCVNYCZUFBQNT-CJNGLKHVSA-N 1 0 352.862 2.553 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415946945 513492238 /nfs/dbraw/zinc/49/22/38/513492238.db2.gz PKJLGMWKRKSRMV-UHFFFAOYSA-N 1 0 356.426 2.521 20 10 FFCDRO COCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000576974554 518856655 /nfs/dbraw/zinc/85/66/55/518856655.db2.gz YGPBGARJVZHOCW-UHFFFAOYSA-N 1 0 355.482 2.703 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000737140667 598275478 /nfs/dbraw/zinc/27/54/78/598275478.db2.gz IAPTUCYLVKNKBE-UHFFFAOYSA-N 1 0 371.466 2.604 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000823732651 606751663 /nfs/dbraw/zinc/75/16/63/606751663.db2.gz NKECGPOBQPIOMW-GOSISDBHSA-N 1 0 365.437 2.754 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC000824010735 608492989 /nfs/dbraw/zinc/49/29/89/608492989.db2.gz RRBMJOSYAGMDSF-SNVBAGLBSA-N 1 0 355.373 2.765 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)cc1 ZINC000154145126 728797322 /nfs/dbraw/zinc/79/73/22/728797322.db2.gz CNTFRMZCYJBMJY-MOPGFXCFSA-N 1 0 366.527 2.609 20 10 FFCDRO Cc1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c(O)c1 ZINC000897978395 735299132 /nfs/dbraw/zinc/29/91/32/735299132.db2.gz OODQIRGEOQUHHT-ZDUSSCGKSA-N 1 0 362.227 2.511 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000898719123 735398364 /nfs/dbraw/zinc/39/83/64/735398364.db2.gz BOHWKWNFYJUWIX-LBPRGKRZSA-N 1 0 366.259 2.773 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1 ZINC000898726080 735400510 /nfs/dbraw/zinc/40/05/10/735400510.db2.gz XISSDKKUTOWDOP-GFCCVEGCSA-N 1 0 366.259 2.855 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H](CF)C2)[NH+](C)C)cc1 ZINC000899098028 735446986 /nfs/dbraw/zinc/44/69/86/735446986.db2.gz KQTULNLVLZWYPR-YJBOKZPZSA-N 1 0 350.482 2.746 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000090796875 728452219 /nfs/dbraw/zinc/45/22/19/728452219.db2.gz LCWUWTRSCKUEAT-SJORKVTESA-N 1 0 365.543 2.609 20 10 FFCDRO CCCSCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092010938 728464154 /nfs/dbraw/zinc/46/41/54/728464154.db2.gz WVDQOLPGKWGDPE-UHFFFAOYSA-N 1 0 361.555 2.978 20 10 FFCDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122254434 728645737 /nfs/dbraw/zinc/64/57/37/728645737.db2.gz BOKYJWBBUBSLRJ-AWEZNQCLSA-N 1 0 350.459 2.844 20 10 FFCDRO C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130084219 728715045 /nfs/dbraw/zinc/71/50/45/728715045.db2.gz LWUCYRPADIGYAK-KBPBESRZSA-N 1 0 355.429 2.713 20 10 FFCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000180471217 729215112 /nfs/dbraw/zinc/21/51/12/729215112.db2.gz IFHWRVKSZVTCRD-HNNXBMFYSA-N 1 0 371.522 2.794 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3Cl)cc2)C1 ZINC000858104349 730416717 /nfs/dbraw/zinc/41/67/17/730416717.db2.gz HKQBGZKDOPZTRX-INIZCTEOSA-N 1 0 358.873 2.727 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000858135687 730417473 /nfs/dbraw/zinc/41/74/73/730417473.db2.gz CFROLONYJWSHTA-MRXNPFEDSA-N 1 0 353.457 2.764 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1O ZINC000858564298 730428946 /nfs/dbraw/zinc/42/89/46/730428946.db2.gz KBCWSRCHKJHBGA-RHSMWYFYSA-N 1 0 361.873 2.992 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000862400472 730697370 /nfs/dbraw/zinc/69/73/70/730697370.db2.gz ADKRSVLHSZXZPT-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000863341090 730770663 /nfs/dbraw/zinc/77/06/63/730770663.db2.gz PHQXHODEIGCKSL-OAHLLOKOSA-N 1 0 368.543 2.759 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)cc1F ZINC000869009234 731355226 /nfs/dbraw/zinc/35/52/26/731355226.db2.gz VAIBSDQOIRDLRG-UHFFFAOYSA-N 1 0 350.482 2.954 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1Cn1cccn1 ZINC000873058189 731869146 /nfs/dbraw/zinc/86/91/46/731869146.db2.gz CSFUATDNNXLUPT-LJQANCHMSA-N 1 0 357.479 2.999 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)sn1 ZINC000876966208 732304513 /nfs/dbraw/zinc/30/45/13/732304513.db2.gz RGOKOWRUHYIWHL-UHFFFAOYSA-N 1 0 351.447 2.542 20 10 FFCDRO COc1ccc(N2CCCN(CCCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000877983874 732462294 /nfs/dbraw/zinc/46/22/94/732462294.db2.gz VPHMXAHHIUGTIL-UHFFFAOYSA-N 1 0 368.543 2.811 20 10 FFCDRO C[C@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000878358747 732519380 /nfs/dbraw/zinc/51/93/80/732519380.db2.gz UIZSMFJVUJHWCV-INIZCTEOSA-N 1 0 368.543 2.777 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000926946166 738671146 /nfs/dbraw/zinc/67/11/46/738671146.db2.gz MYNZREBPWMKXGO-MVWRLGRASA-N 1 0 366.889 2.631 20 10 FFCDRO COc1ccsc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324691 733773581 /nfs/dbraw/zinc/77/35/81/733773581.db2.gz CZOIVUCMEDOIND-UHFFFAOYSA-N 1 0 359.495 2.748 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ncc2F)[NH+](C)C)cc1 ZINC000891256933 734405750 /nfs/dbraw/zinc/40/57/50/734405750.db2.gz BZGSPNQWCOAJEL-MRXNPFEDSA-N 1 0 364.852 2.973 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000891258677 734406218 /nfs/dbraw/zinc/40/62/18/734406218.db2.gz ZBFGIVQIEHEBAT-CQSZACIVSA-N 1 0 362.455 2.755 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000892486700 734564197 /nfs/dbraw/zinc/56/41/97/734564197.db2.gz ZBFMWYZAZPYMIR-INIZCTEOSA-N 1 0 350.482 2.765 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(C)cc(OC)c2O)n1 ZINC000894538046 734876193 /nfs/dbraw/zinc/87/61/93/734876193.db2.gz NRCAGOYCXNKBPN-UHFFFAOYSA-N 1 0 350.440 2.675 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(O)c1OC ZINC000894682336 734900469 /nfs/dbraw/zinc/90/04/69/734900469.db2.gz ZGZBMBSYYPVXQL-ZDUSSCGKSA-N 1 0 350.459 2.523 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000895007891 734951188 /nfs/dbraw/zinc/95/11/88/734951188.db2.gz OXIYLEJIGITALD-JTQLQIEISA-N 1 0 367.247 2.579 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895668383 735038197 /nfs/dbraw/zinc/03/81/97/735038197.db2.gz JJOKCRRQNBRIRY-CYBMUJFWSA-N 1 0 352.431 2.508 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCCOCC2)c1O ZINC000903225787 736059649 /nfs/dbraw/zinc/05/96/49/736059649.db2.gz BCEDCLTYIDQABJ-LBPRGKRZSA-N 1 0 373.291 2.536 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754742161 736192727 /nfs/dbraw/zinc/19/27/27/736192727.db2.gz QUPDLPBXWDBRTO-CYBMUJFWSA-N 1 0 355.500 2.565 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000756382882 736326522 /nfs/dbraw/zinc/32/65/22/736326522.db2.gz FTIVPEBNYGZQBD-LBPRGKRZSA-N 1 0 350.440 2.623 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1ccc2ccccc2c1O ZINC000756482828 736335258 /nfs/dbraw/zinc/33/52/58/736335258.db2.gz JBOGVMOBACUWNF-CYBMUJFWSA-N 1 0 350.484 2.914 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000757706295 736421342 /nfs/dbraw/zinc/42/13/42/736421342.db2.gz VZXYSNVSGCFDPZ-OAHLLOKOSA-N 1 0 354.516 2.721 20 10 FFCDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccc(N(C)C)cc1 ZINC000757706075 736421374 /nfs/dbraw/zinc/42/13/74/736421374.db2.gz UMPHKJUNVSKWRB-LJQANCHMSA-N 1 0 367.559 2.855 20 10 FFCDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCCCSc1nccs1 ZINC000759601499 736580120 /nfs/dbraw/zinc/58/01/20/736580120.db2.gz KTJVBZFHTYWCPF-UHFFFAOYSA-N 1 0 368.528 2.992 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@@]12CCOC2 ZINC000764257467 737006021 /nfs/dbraw/zinc/00/60/21/737006021.db2.gz HLANPHFHQJCBDO-JTDSTZFVSA-N 1 0 364.873 2.553 20 10 FFCDRO CC[C@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)[NH+](CC)CC ZINC000764320097 737011606 /nfs/dbraw/zinc/01/16/06/737011606.db2.gz DTFSJGXCYNHDRG-OAHLLOKOSA-N 1 0 370.877 2.668 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)sn3)cc2F)CC1 ZINC000766612098 737245479 /nfs/dbraw/zinc/24/54/79/737245479.db2.gz SMTIMFQDPAPAAX-UHFFFAOYSA-N 1 0 362.474 2.663 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@H](O)CO2 ZINC000768438630 737423051 /nfs/dbraw/zinc/42/30/51/737423051.db2.gz WECFPBWQMSVHDP-GOSISDBHSA-N 1 0 360.841 2.794 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000769394656 737523900 /nfs/dbraw/zinc/52/39/00/737523900.db2.gz AXGODABKAUWUEZ-UHFFFAOYSA-N 1 0 356.451 2.728 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[nH]c1=O ZINC000771058860 737690474 /nfs/dbraw/zinc/69/04/74/737690474.db2.gz OINMAEQUGUWPPM-AWEZNQCLSA-N 1 0 361.829 2.541 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000773001800 737862608 /nfs/dbraw/zinc/86/26/08/737862608.db2.gz SJCFCRYHVUDWAE-HNNXBMFYSA-N 1 0 361.511 2.820 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000774383496 737985449 /nfs/dbraw/zinc/98/54/49/737985449.db2.gz LDPZOLGKMISDBH-ZDUSSCGKSA-N 1 0 369.303 2.979 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980463 738047721 /nfs/dbraw/zinc/04/77/21/738047721.db2.gz WOTPLAIKYJGPLL-OKILXGFUSA-N 1 0 351.447 2.767 20 10 FFCDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775372957 738088213 /nfs/dbraw/zinc/08/82/13/738088213.db2.gz KRPJWEIXWFWMEB-JTQLQIEISA-N 1 0 364.423 2.538 20 10 FFCDRO COC(=O)c1cnc(CC[NH2+]Cc2c(O)cccc2Br)s1 ZINC000922832608 738206740 /nfs/dbraw/zinc/20/67/40/738206740.db2.gz WHPPCKSIVVGMHZ-UHFFFAOYSA-N 1 0 371.256 2.730 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)c2ccnn2C)cc1 ZINC000922971422 738226496 /nfs/dbraw/zinc/22/64/96/738226496.db2.gz XYUOSIDLSAVNQM-IBGZPJMESA-N 1 0 356.495 2.941 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@H]2OCCOC)cc1F ZINC000776812389 738235614 /nfs/dbraw/zinc/23/56/14/738235614.db2.gz ILFQPHJJRGSXOC-PKOBYXMFSA-N 1 0 354.466 2.582 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000924004795 738357163 /nfs/dbraw/zinc/35/71/63/738357163.db2.gz BDLYDKNRRHXLFH-WBVHZDCISA-N 1 0 362.543 2.522 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C[C@@H]1CCCS1(=O)=O ZINC000929755162 739018386 /nfs/dbraw/zinc/01/83/86/739018386.db2.gz JQQSICXPGNQEIQ-ZDUSSCGKSA-N 1 0 362.289 2.554 20 10 FFCDRO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000786952375 739092636 /nfs/dbraw/zinc/09/26/36/739092636.db2.gz WKWRNDHBFUOPTF-CQSZACIVSA-N 1 0 354.491 2.901 20 10 FFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787729554 739163162 /nfs/dbraw/zinc/16/31/62/739163162.db2.gz JCPSPBVWIYBOPE-VQIMIIECSA-N 1 0 350.459 2.584 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000788566048 739259560 /nfs/dbraw/zinc/25/95/60/739259560.db2.gz YAHDNLOUYMHKTD-QFBILLFUSA-N 1 0 350.528 2.868 20 10 FFCDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793008147 739730285 /nfs/dbraw/zinc/73/02/85/739730285.db2.gz BWRZOQCUFOQXHQ-CYBMUJFWSA-N 1 0 358.408 2.665 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)c1O ZINC000794716178 739923408 /nfs/dbraw/zinc/92/34/08/739923408.db2.gz BWGPNEDGOLSAPM-DIFFPNOSSA-N 1 0 360.841 2.995 20 10 FFCDRO O=S(=O)(NCCC[NH2+]Cc1ccccc1O)c1ccccc1Cl ZINC000798500722 740338475 /nfs/dbraw/zinc/33/84/75/740338475.db2.gz XNRPVCHPQLXSCO-UHFFFAOYSA-N 1 0 354.859 2.504 20 10 FFCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000799727470 740445531 /nfs/dbraw/zinc/44/55/31/740445531.db2.gz LFKCXZKKJOQPML-JCQPUDPBSA-N 1 0 356.919 2.738 20 10 FFCDRO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000800519565 740531144 /nfs/dbraw/zinc/53/11/44/740531144.db2.gz RTRPVQAPIJCYQO-VLWCASSMSA-N 1 0 366.889 2.940 20 10 FFCDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000801735044 740646873 /nfs/dbraw/zinc/64/68/73/740646873.db2.gz OTLPTUCJGKPEPE-CYBMUJFWSA-N 1 0 368.886 2.892 20 10 FFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000804949748 740919525 /nfs/dbraw/zinc/91/95/25/740919525.db2.gz AECSCRMUPRQTGP-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805224829 740951117 /nfs/dbraw/zinc/95/11/17/740951117.db2.gz YXSXWBOOUMHPRF-UONOGXRCSA-N 1 0 370.291 2.827 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)ccc1N1CCOCC1 ZINC000806132507 741042465 /nfs/dbraw/zinc/04/24/65/741042465.db2.gz WXWBEWLFTQRBPW-XJKSGUPXSA-N 1 0 362.367 2.862 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000806427451 741058994 /nfs/dbraw/zinc/05/89/94/741058994.db2.gz HWEZNMCTIZGRMU-ZIAGYGMSSA-N 1 0 368.275 2.581 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000808705974 741254338 /nfs/dbraw/zinc/25/43/38/741254338.db2.gz BPHYNGQFYBCFDX-LBPRGKRZSA-N 1 0 372.918 2.961 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1(S(C)(=O)=O)CC1 ZINC000809704237 741334330 /nfs/dbraw/zinc/33/43/30/741334330.db2.gz WXGNLCUMMLIVEV-LLVKDONJSA-N 1 0 364.433 2.827 20 10 FFCDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000809720549 741336470 /nfs/dbraw/zinc/33/64/70/741336470.db2.gz HUGDPWCQCLFFDI-AWEZNQCLSA-N 1 0 350.415 2.610 20 10 FFCDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000809720551 741336537 /nfs/dbraw/zinc/33/65/37/741336537.db2.gz HUGDPWCQCLFFDI-CQSZACIVSA-N 1 0 350.415 2.610 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000809722914 741336865 /nfs/dbraw/zinc/33/68/65/741336865.db2.gz MUCBMPTXOGKEHU-CYBMUJFWSA-N 1 0 360.376 2.824 20 10 FFCDRO COc1cc(Cl)cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1O ZINC000809735052 741337884 /nfs/dbraw/zinc/33/78/84/741337884.db2.gz QVGQKIMIGGHPNK-UHFFFAOYSA-N 1 0 351.790 2.928 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811786712 741558562 /nfs/dbraw/zinc/55/85/62/741558562.db2.gz VWVRNIUTULWVFR-LBPRGKRZSA-N 1 0 360.376 2.600 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(CO)CCC1 ZINC000814169163 741800251 /nfs/dbraw/zinc/80/02/51/741800251.db2.gz DTXYMMFVGYUGNK-IBGZPJMESA-N 1 0 350.478 2.939 20 10 FFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(C)cc(Br)c3O)[C@H]2C1 ZINC000816639059 742049953 /nfs/dbraw/zinc/04/99/53/742049953.db2.gz GIHZNMIKMXXNPT-JKSUJKDBSA-N 1 0 369.303 2.758 20 10 FFCDRO OC[C@]1([C@H]([NH2+]Cc2cc(Br)ccc2O)C2CC2)CCCO1 ZINC000816667853 742052075 /nfs/dbraw/zinc/05/20/75/742052075.db2.gz YHCAHYOUZBWOKU-CVEARBPZSA-N 1 0 356.260 2.564 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)CC3(F)F)cc2F)CC1 ZINC000817431927 742142983 /nfs/dbraw/zinc/14/29/83/742142983.db2.gz GCJFMFIBGQFWSD-QGZVFWFLSA-N 1 0 355.404 2.629 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000817938880 742223226 /nfs/dbraw/zinc/22/32/26/742223226.db2.gz VAEJEZAEZKFAMZ-AUUYWEPGSA-N 1 0 361.511 2.507 20 10 FFCDRO C[C@H]([NH2+]CCC[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817938386 742223314 /nfs/dbraw/zinc/22/33/14/742223314.db2.gz JRPYQERVHXQHSI-ZETCQYMHSA-N 1 0 352.070 2.917 20 10 FFCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000817955473 742224107 /nfs/dbraw/zinc/22/41/07/742224107.db2.gz BQNKUJQNLWYZRF-OAHLLOKOSA-N 1 0 359.495 2.702 20 10 FFCDRO CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823860751 742991443 /nfs/dbraw/zinc/99/14/43/742991443.db2.gz JVACVSJQFJLKBA-MRXNPFEDSA-N 1 0 363.893 2.720 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000824454338 743081684 /nfs/dbraw/zinc/08/16/84/743081684.db2.gz DGGKHIMIGUWXDQ-GFCCVEGCSA-N 1 0 369.259 2.737 20 10 FFCDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824561160 743105262 /nfs/dbraw/zinc/10/52/62/743105262.db2.gz QPLHNOKLKMKDAO-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000824644977 743122452 /nfs/dbraw/zinc/12/24/52/743122452.db2.gz VRDOHUWTRAWEGV-NWDGAFQWSA-N 1 0 354.447 2.801 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000825045517 743200190 /nfs/dbraw/zinc/20/01/90/743200190.db2.gz FXYPMVGUEWIPSX-DZGCQCFKSA-N 1 0 351.834 2.798 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825278856 743240070 /nfs/dbraw/zinc/24/00/70/743240070.db2.gz JTMXTWSXXUDWOB-ZDUSSCGKSA-N 1 0 370.291 2.699 20 10 FFCDRO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825283356 743240974 /nfs/dbraw/zinc/24/09/74/743240974.db2.gz KHGGOOIFQAKKHF-CQSZACIVSA-N 1 0 352.228 2.987 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825290896 743243190 /nfs/dbraw/zinc/24/31/90/743243190.db2.gz AMAMDKREZXJDSH-STQMWFEESA-N 1 0 362.289 2.600 20 10 FFCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825505461 743283613 /nfs/dbraw/zinc/28/36/13/743283613.db2.gz ZHUWIHLMAISLQH-LJQANCHMSA-N 1 0 353.459 2.756 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000825699127 743313761 /nfs/dbraw/zinc/31/37/61/743313761.db2.gz SMWBWLGBRAZEBY-UHFFFAOYSA-N 1 0 363.259 2.703 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000826043611 743360994 /nfs/dbraw/zinc/36/09/94/743360994.db2.gz MDVBZLYMAVVHKF-BPLDGKMQSA-N 1 0 356.260 2.517 20 10 FFCDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826083525 743365752 /nfs/dbraw/zinc/36/57/52/743365752.db2.gz IYDQVNUIAJFBPG-BBRMVZONSA-N 1 0 366.259 2.898 20 10 FFCDRO COCC[N@@H+](Cc1ccc(Br)cc1O)C[C@H](O)C(F)(F)F ZINC000826534459 743391753 /nfs/dbraw/zinc/39/17/53/743391753.db2.gz GTBKPSDTCNMAQB-LBPRGKRZSA-N 1 0 372.181 2.526 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000826866472 743458839 /nfs/dbraw/zinc/45/88/39/743458839.db2.gz BFBJXPJFSPLCEB-FQEVSTJZSA-N 1 0 374.222 2.864 20 10 FFCDRO CCC[C@H](OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095337 743505124 /nfs/dbraw/zinc/50/51/24/743505124.db2.gz DRKALASFCCZNIH-RDJZCZTQSA-N 1 0 354.878 2.941 20 10 FFCDRO [NH3+]CC1(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000830665383 745400991 /nfs/dbraw/zinc/40/09/91/745400991.db2.gz VXZFTCCTQHTGBZ-ZDUSSCGKSA-N 1 0 353.413 2.502 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000832281639 745670610 /nfs/dbraw/zinc/67/06/10/745670610.db2.gz VFCVJZNATDUZLX-MRXNPFEDSA-N 1 0 351.372 2.800 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncsc2C(F)(F)F)cc1 ZINC000832285200 745671462 /nfs/dbraw/zinc/67/14/62/745671462.db2.gz PPKMWZZJRJZIDD-NSHDSACASA-N 1 0 358.389 2.658 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000832293261 745673654 /nfs/dbraw/zinc/67/36/54/745673654.db2.gz SPFMUTBYAGQMEG-CYBMUJFWSA-N 1 0 353.253 2.884 20 10 FFCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000834586013 745863141 /nfs/dbraw/zinc/86/31/41/745863141.db2.gz XQHBIVUYGPXXOG-IBGZPJMESA-N 1 0 350.528 2.980 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)c1O ZINC000835073868 745945130 /nfs/dbraw/zinc/94/51/30/745945130.db2.gz SYOMEDBBPUYPDC-CYBMUJFWSA-N 1 0 362.857 2.891 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CN1C1CC1 ZINC000839146711 746787899 /nfs/dbraw/zinc/78/78/99/746787899.db2.gz RVIQPLCPFYYKKT-HIFRSBDPSA-N 1 0 351.441 2.516 20 10 FFCDRO CC(C)n1nccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146175 746788046 /nfs/dbraw/zinc/78/80/46/746788046.db2.gz YLNDEKDXLOEWGK-UHFFFAOYSA-N 1 0 350.413 2.869 20 10 FFCDRO Fc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1N1CCOCC1 ZINC000839146281 746788075 /nfs/dbraw/zinc/78/80/75/746788075.db2.gz BFAXQTOIVUOZCF-HZPDHXFCSA-N 1 0 351.441 2.518 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1OC ZINC000839172452 746793222 /nfs/dbraw/zinc/79/32/22/746793222.db2.gz OTMGSTDNUBJJPD-DOTOQJQBSA-N 1 0 365.451 2.834 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000840937994 747234688 /nfs/dbraw/zinc/23/46/88/747234688.db2.gz YTVIOZPSESCXPH-UHFFFAOYSA-N 1 0 367.540 2.533 20 10 FFCDRO CN(Cc1ccc(S(C)(=O)=O)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000840939986 747236274 /nfs/dbraw/zinc/23/62/74/747236274.db2.gz STFBJBWLNIZVSF-UHFFFAOYSA-N 1 0 368.524 2.728 20 10 FFCDRO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000841099533 747268964 /nfs/dbraw/zinc/26/89/64/747268964.db2.gz LGIWARDQFRQSGB-WBVHZDCISA-N 1 0 369.303 2.873 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000841104023 747270042 /nfs/dbraw/zinc/27/00/42/747270042.db2.gz MPHIASWJVJCRGE-GDBMZVCRSA-N 1 0 369.849 2.672 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000841799347 747463715 /nfs/dbraw/zinc/46/37/15/747463715.db2.gz SWNZTWZNBRSTNZ-HNNXBMFYSA-N 1 0 350.482 2.942 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000841849689 747475788 /nfs/dbraw/zinc/47/57/88/747475788.db2.gz GWKIKEBLPCQEKT-CWRNSKLLSA-N 1 0 356.495 2.516 20 10 FFCDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000841858385 747477904 /nfs/dbraw/zinc/47/79/04/747477904.db2.gz XZESLUIKASXYKE-UHFFFAOYSA-N 1 0 350.513 2.796 20 10 FFCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841897820 747485049 /nfs/dbraw/zinc/48/50/49/747485049.db2.gz XPBSFOXZFBTXIN-KBPBESRZSA-N 1 0 352.910 2.970 20 10 FFCDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)sc1Cl ZINC000842784119 747686482 /nfs/dbraw/zinc/68/64/82/747686482.db2.gz BEMCAVKJUIREOC-CYBMUJFWSA-N 1 0 373.931 2.754 20 10 FFCDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000842786178 747687456 /nfs/dbraw/zinc/68/74/56/747687456.db2.gz LKXXFZIXNDTNCZ-GOSISDBHSA-N 1 0 361.511 2.656 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843432801 747835937 /nfs/dbraw/zinc/83/59/37/747835937.db2.gz QCUUJFMCIBCECY-CHYADLBTSA-N 1 0 355.404 2.766 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)cc1 ZINC000843486648 747844318 /nfs/dbraw/zinc/84/43/18/747844318.db2.gz ZCCPPDMZAIWKKD-SFHVURJKSA-N 1 0 359.857 2.697 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnn(C)c2)c1O ZINC000848522417 748949529 /nfs/dbraw/zinc/94/95/29/748949529.db2.gz WMZVPWOOZARAEV-SNVBAGLBSA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCNc2cnccn2)c1O ZINC000848532896 748951867 /nfs/dbraw/zinc/95/18/67/748951867.db2.gz LROQRYWFXCUBHD-SNVBAGLBSA-N 1 0 367.247 2.716 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000848533003 748952268 /nfs/dbraw/zinc/95/22/68/748952268.db2.gz FZKDEZDIPGETNN-ARNPGYACSA-N 1 0 364.305 2.971 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1O ZINC000848535612 748953528 /nfs/dbraw/zinc/95/35/28/748953528.db2.gz HWQYHJBBUDEFHD-LLVKDONJSA-N 1 0 374.275 2.603 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1O ZINC000848543906 748954921 /nfs/dbraw/zinc/95/49/21/748954921.db2.gz IPJOTIVBXXKZPU-YGRLFVJLSA-N 1 0 374.275 2.601 20 10 FFCDRO Cc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000848600021 748970920 /nfs/dbraw/zinc/97/09/20/748970920.db2.gz HXIVLNIAXJWYJT-QGZVFWFLSA-N 1 0 367.902 2.693 20 10 FFCDRO CN(Cc1cccs1)c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848926692 749035311 /nfs/dbraw/zinc/03/53/11/749035311.db2.gz WFUDEIIVDWQCMR-RBUKOAKNSA-N 1 0 357.523 2.635 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])N3CCSCC3)cc2F)C[C@H](C)O1 ZINC000849069842 749044413 /nfs/dbraw/zinc/04/44/13/749044413.db2.gz SBZVJQNNLVPOKH-KBPBESRZSA-N 1 0 366.506 2.512 20 10 FFCDRO COc1cncc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1 ZINC000849174104 749065225 /nfs/dbraw/zinc/06/52/25/749065225.db2.gz ONWZESBDZQSYBT-VGOFMYFVSA-N 1 0 365.524 2.879 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC000850347886 749346896 /nfs/dbraw/zinc/34/68/96/749346896.db2.gz ZTECEGNQEZQCIB-HNNXBMFYSA-N 1 0 357.420 2.890 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000850353551 749350702 /nfs/dbraw/zinc/35/07/02/749350702.db2.gz GTLJWRWZQQMTJX-AWEZNQCLSA-N 1 0 372.351 2.825 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000850406568 749360923 /nfs/dbraw/zinc/36/09/23/749360923.db2.gz LUABBOXEQKAVNR-YOEHRIQHSA-N 1 0 358.404 2.847 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000850586050 749389989 /nfs/dbraw/zinc/38/99/89/749389989.db2.gz KEHLEJZHSKEOOS-INIZCTEOSA-N 1 0 369.437 2.669 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c1O ZINC000852760865 749946996 /nfs/dbraw/zinc/94/69/96/749946996.db2.gz NRZFZVVBBKDFNO-MRXNPFEDSA-N 1 0 354.878 2.791 20 10 FFCDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000854170557 750256282 /nfs/dbraw/zinc/25/62/82/750256282.db2.gz RULKMMAOKQCAEK-UHFFFAOYSA-N 1 0 361.467 2.778 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N2CCCCCC2)cc1 ZINC000180210530 970793985 /nfs/dbraw/zinc/79/39/85/970793985.db2.gz NNKARLVMFRUTRM-INIZCTEOSA-N 1 0 355.486 2.871 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000895649717 970806081 /nfs/dbraw/zinc/80/60/81/970806081.db2.gz CDTUEWJCQCPYFY-QZTJIDSGSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc(OC)c(OC)c3O)C2)cc1 ZINC000895978012 971124582 /nfs/dbraw/zinc/12/45/82/971124582.db2.gz QVENJKJNXVZBGO-MRXNPFEDSA-N 1 0 372.421 2.701 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000896344467 971444555 /nfs/dbraw/zinc/44/45/55/971444555.db2.gz MNIODUHHSIKTOZ-UHFFFAOYSA-N 1 0 363.502 2.779 20 10 FFCDRO COc1ccc(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c(O)c1OC ZINC000893332918 971624053 /nfs/dbraw/zinc/62/40/53/971624053.db2.gz FLEPNMVKKFGOFP-INIZCTEOSA-N 1 0 356.426 2.939 20 10 FFCDRO CCc1onc(C)c1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896756055 971693528 /nfs/dbraw/zinc/69/35/28/971693528.db2.gz GZEOERPRKXMIFF-SFHVURJKSA-N 1 0 373.501 2.714 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222354888 971743053 /nfs/dbraw/zinc/74/30/53/971743053.db2.gz OVHLBTKMRRHGHV-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)C1 ZINC001279106786 960382401 /nfs/dbraw/zinc/38/24/01/960382401.db2.gz FBISEDNUIVHMOO-UHFFFAOYSA-N 1 0 367.484 2.910 20 10 FFCDRO CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001279106798 960383084 /nfs/dbraw/zinc/38/30/84/960383084.db2.gz FJLIVNPCGJCJKN-UHFFFAOYSA-N 1 0 353.457 2.520 20 10 FFCDRO COc1cc(C[NH+]2CCC(c3nnnn3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000872787598 1013262077 /nfs/dbraw/zinc/26/20/77/1013262077.db2.gz OIZDMOZNWKXYIQ-UHFFFAOYSA-N 1 0 359.474 2.601 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)c2cccs2)cc1Cn1cccn1 ZINC000873014714 1013347432 /nfs/dbraw/zinc/34/74/32/1013347432.db2.gz UARNZDREWKVFHU-UHFFFAOYSA-N 1 0 370.478 2.521 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nc2C2CCC2)[NH+](C)C)cc1 ZINC000891247085 962570979 /nfs/dbraw/zinc/57/09/79/962570979.db2.gz HFVIVGXTFADPAQ-IBGZPJMESA-N 1 0 369.513 2.786 20 10 FFCDRO C/C(=C\c1cccnc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248534 962577108 /nfs/dbraw/zinc/57/71/08/962577108.db2.gz YFMSRDWSWCTWDP-YFIXDKARSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC000891247904 962579337 /nfs/dbraw/zinc/57/93/37/962579337.db2.gz ISZMKMUKMZDYNF-QPLYDRNXSA-N 1 0 369.465 2.596 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2coc3c2C(=O)CCC3)[NH+](C)C)cc1 ZINC000891247915 962580493 /nfs/dbraw/zinc/58/04/93/962580493.db2.gz LHTVCSWSQAUPHG-KRWDZBQOSA-N 1 0 369.465 2.897 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H](O)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000891251974 962598421 /nfs/dbraw/zinc/59/84/21/962598421.db2.gz IUFUNDMGSSYFFS-VQTJNVASSA-N 1 0 373.472 2.734 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001279108435 963887045 /nfs/dbraw/zinc/88/70/45/963887045.db2.gz SUHCGBYZMZPRLE-LJQANCHMSA-N 1 0 353.457 2.520 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC(C)(C)O)cc1C ZINC001087158622 964019921 /nfs/dbraw/zinc/01/99/21/964019921.db2.gz MSGGCJPEWXCCBS-QAPCUYQASA-N 1 0 362.514 2.881 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCCCC[C@H]([NH3+])C3)CC2)cc1 ZINC000891490056 964383441 /nfs/dbraw/zinc/38/34/41/964383441.db2.gz ZQYSMLQVBASWOR-INIZCTEOSA-N 1 0 360.502 2.577 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000891533057 964434037 /nfs/dbraw/zinc/43/40/37/964434037.db2.gz QSLHFFWGMPGTJY-WOJBJXKFSA-N 1 0 356.514 2.959 20 10 FFCDRO [NH3+][C@@H](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000891588472 964519918 /nfs/dbraw/zinc/51/99/18/964519918.db2.gz CSFIKCONLSCBBL-FQEVSTJZSA-N 1 0 364.493 2.822 20 10 FFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)n1 ZINC000091835419 965346719 /nfs/dbraw/zinc/34/67/19/965346719.db2.gz CVPXUSCIALLWTJ-UHFFFAOYSA-N 1 0 360.433 2.733 20 10 FFCDRO Cc1cccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000892154142 966094057 /nfs/dbraw/zinc/09/40/57/966094057.db2.gz WJDFFNNAJYSGTG-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCOC34CCOCC4)cc2)CC1 ZINC000934401279 966421365 /nfs/dbraw/zinc/42/13/65/966421365.db2.gz HNFJGLIXAJPPTL-FQEVSTJZSA-N 1 0 360.498 2.730 20 10 FFCDRO CC(C)C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1ccnc1 ZINC000873861335 1013665283 /nfs/dbraw/zinc/66/52/83/1013665283.db2.gz ASJAEBJPYQCKBS-HXUWFJFHSA-N 1 0 370.497 2.966 20 10 FFCDRO Oc1cc(O)c(CCNc2c[nH+]c3cccc(Br)n23)cc1O ZINC001168014633 968051531 /nfs/dbraw/zinc/05/15/31/968051531.db2.gz WLJHYYAMLRXXJB-UHFFFAOYSA-N 1 0 364.199 2.868 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001024170937 968797178 /nfs/dbraw/zinc/79/71/78/968797178.db2.gz KOQMTALGUXZJBA-PXCRPINLSA-N 1 0 372.509 2.899 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237257795 970400167 /nfs/dbraw/zinc/40/01/67/970400167.db2.gz MQSKQJYEBFYYPO-DLBZAZTESA-N 1 0 359.514 2.806 20 10 FFCDRO COC(=O)Nc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893041331 970529914 /nfs/dbraw/zinc/52/99/14/970529914.db2.gz LPTRMUSOPQEOTJ-UHFFFAOYSA-N 1 0 360.410 2.920 20 10 FFCDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000896983988 973133546 /nfs/dbraw/zinc/13/35/46/973133546.db2.gz GMSDGNZTLPMZJN-CYBMUJFWSA-N 1 0 364.442 2.858 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)c(O)c1OC ZINC000893505131 974772430 /nfs/dbraw/zinc/77/24/30/974772430.db2.gz KCUKHYLRLQHAHN-UHFFFAOYSA-N 1 0 358.394 2.656 20 10 FFCDRO Cc1ncc(C(F)(F)F)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507035 1014288295 /nfs/dbraw/zinc/28/82/95/1014288295.db2.gz UFCNPBRKMFVMFY-MRXNPFEDSA-N 1 0 366.387 2.905 20 10 FFCDRO C/C(=C\c1ccncc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608430 975905884 /nfs/dbraw/zinc/90/58/84/975905884.db2.gz UJYZQBOELPYBNM-BMRADRMJSA-N 1 0 350.466 2.553 20 10 FFCDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000876551152 1014299560 /nfs/dbraw/zinc/29/95/60/1014299560.db2.gz MDJMXNYCWYVALW-UHFFFAOYSA-N 1 0 357.454 2.660 20 10 FFCDRO CN(C)c1ccc([C@H](CNCc2nccn2CC(F)(F)F)[NH+](C)C)cc1 ZINC000898450350 976461959 /nfs/dbraw/zinc/46/19/59/976461959.db2.gz AVBJCJPIHFRUPN-INIZCTEOSA-N 1 0 369.435 2.904 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)c2cncn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000898887901 976748340 /nfs/dbraw/zinc/74/83/40/976748340.db2.gz FXSPAFFDCNLMDN-QGZVFWFLSA-N 1 0 372.856 2.944 20 10 FFCDRO COc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(O)c1OC ZINC000893680531 977004366 /nfs/dbraw/zinc/00/43/66/977004366.db2.gz WCLVDWJFIBZODY-UHFFFAOYSA-N 1 0 372.469 2.717 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000893750575 977536210 /nfs/dbraw/zinc/53/62/10/977536210.db2.gz UZYUYQXPBUHWRJ-IEBWSBKVSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000877034379 1014455970 /nfs/dbraw/zinc/45/59/70/1014455970.db2.gz GTFFRAMZJFNOLX-YCRPNKLZSA-N 1 0 358.457 2.999 20 10 FFCDRO COC(=O)c1c(C[NH2+]Cc2ccc(N(C)C)nc2)c2cc(F)ccc2n1C ZINC000894174421 978107399 /nfs/dbraw/zinc/10/73/99/978107399.db2.gz XPZNERPRHZSVTJ-UHFFFAOYSA-N 1 0 370.428 2.855 20 10 FFCDRO COCCC(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894198857 978131367 /nfs/dbraw/zinc/13/13/67/978131367.db2.gz QWEMCJHWQRPJQY-GOSISDBHSA-N 1 0 364.534 2.717 20 10 FFCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877126974 1014480572 /nfs/dbraw/zinc/48/05/72/1014480572.db2.gz XNVXMDIVKHSSSE-QFIPXVFZSA-N 1 0 351.494 2.924 20 10 FFCDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)OCCO1 ZINC000877316083 1014546954 /nfs/dbraw/zinc/54/69/54/1014546954.db2.gz IZQVFCLUKOFLTR-GOSISDBHSA-N 1 0 360.498 2.623 20 10 FFCDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(O)c(O)c1)Cc1ccccc12 ZINC001272002567 979494867 /nfs/dbraw/zinc/49/48/67/979494867.db2.gz FKDFVHABLYXLQX-UHFFFAOYSA-N 1 0 352.434 2.717 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(F)nc3C)CC2)cc1 ZINC000785412937 979496398 /nfs/dbraw/zinc/49/63/98/979496398.db2.gz LSUJFZKWEXKAMS-UHFFFAOYSA-N 1 0 372.488 2.840 20 10 FFCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000877549881 1014623268 /nfs/dbraw/zinc/62/32/68/1014623268.db2.gz BREMYTUMHHKTSF-NRFANRHFSA-N 1 0 369.509 2.892 20 10 FFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)COc2ccccc2O1 ZINC000877648976 1014660830 /nfs/dbraw/zinc/66/08/30/1014660830.db2.gz YGINIQGNLHOWMZ-JOCHJYFZSA-N 1 0 368.477 2.967 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2ccc(-c3ccnn3C)nn2)[NH+](C)C)cc1 ZINC000897522772 981427737 /nfs/dbraw/zinc/42/77/37/981427737.db2.gz ONMRVDAIGLIHTF-IBGZPJMESA-N 1 0 365.485 2.658 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000841966076 982478899 /nfs/dbraw/zinc/47/88/99/982478899.db2.gz PIRMMQJFKRTTJK-LJQANCHMSA-N 1 0 356.470 2.795 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000842016536 982577960 /nfs/dbraw/zinc/57/79/60/982577960.db2.gz XNUWFGRDUNUSQE-FGTMMUONSA-N 1 0 356.514 2.815 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898367411 982696305 /nfs/dbraw/zinc/69/63/05/982696305.db2.gz DCTUEIGHSRNZST-BWPKMQGJSA-N 1 0 373.888 2.783 20 10 FFCDRO CCCn1nccc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878240181 1014939763 /nfs/dbraw/zinc/93/97/63/1014939763.db2.gz DLXGDUCJUKYDBM-KRWDZBQOSA-N 1 0 372.469 2.618 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911633378 983859932 /nfs/dbraw/zinc/85/99/32/983859932.db2.gz RRDUQZQYCIWZNV-OAQYLSRUSA-N 1 0 370.497 2.534 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)C[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000878357379 1015002185 /nfs/dbraw/zinc/00/21/85/1015002185.db2.gz BGGQDLWFCNQMOR-WTOYTKOKSA-N 1 0 370.493 2.658 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3OCC[C@H]3C)CC2(C)C)cc1C ZINC000996321057 984310733 /nfs/dbraw/zinc/31/07/33/984310733.db2.gz ZLJXGPVWJGSXSG-CCKFTAQKSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC(C)CC3)CC2)cc1 ZINC000045126627 984405635 /nfs/dbraw/zinc/40/56/35/984405635.db2.gz SJPLARKDZDOORO-UHFFFAOYSA-N 1 0 374.529 2.649 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cc2)C1 ZINC000921573665 985407282 /nfs/dbraw/zinc/40/72/82/985407282.db2.gz JPKMPRGINNHRIS-YSTOQKLRSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000921582445 985411262 /nfs/dbraw/zinc/41/12/62/985411262.db2.gz IZOFYKGQIFZVDD-CQSZACIVSA-N 1 0 372.444 2.951 20 10 FFCDRO COc1cccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000174264911 986166473 /nfs/dbraw/zinc/16/64/73/986166473.db2.gz YGUHWJBCDISOPH-GASCZTMLSA-N 1 0 363.502 2.957 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998930358 986287316 /nfs/dbraw/zinc/28/73/16/986287316.db2.gz RMVPDLKXGITCQE-KMEYYKJISA-N 1 0 360.498 2.898 20 10 FFCDRO CCO[C@@H]1CCCN(Cc2ccc(I)cc2O)C1 ZINC001232978375 986350303 /nfs/dbraw/zinc/35/03/03/986350303.db2.gz FCNGBKAHOZSWHO-CYBMUJFWSA-N 1 0 361.223 2.998 20 10 FFCDRO CCc1nc(CN2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)no1 ZINC000921704689 986802633 /nfs/dbraw/zinc/80/26/33/986802633.db2.gz FRUUUISFIGIHFN-KRWDZBQOSA-N 1 0 356.470 2.711 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000765882360 986806721 /nfs/dbraw/zinc/80/67/21/986806721.db2.gz BRIWAQWZHOESSR-QGZVFWFLSA-N 1 0 360.546 2.736 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153279141 987838248 /nfs/dbraw/zinc/83/82/48/987838248.db2.gz UIJIKZOHZXWZCQ-RHSMWYFYSA-N 1 0 358.438 2.572 20 10 FFCDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000730823453 987865142 /nfs/dbraw/zinc/86/51/42/987865142.db2.gz LCCBUFIXLOSCEY-ROUUACIJSA-N 1 0 374.529 2.585 20 10 FFCDRO COc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1C ZINC000915229053 988324235 /nfs/dbraw/zinc/32/42/35/988324235.db2.gz MOLSEUABYVURLS-UHFFFAOYSA-N 1 0 359.470 2.738 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3nc4ccccc4n3C)CC2)cc1 ZINC000762522056 988436206 /nfs/dbraw/zinc/43/62/06/988436206.db2.gz SLSIGTRKGNUXLU-UHFFFAOYSA-N 1 0 365.481 2.816 20 10 FFCDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721940 988711996 /nfs/dbraw/zinc/71/19/96/988711996.db2.gz FYZZNMKQQKCBDO-FQEVSTJZSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)cc1Cn1cccn1 ZINC000922806673 988929018 /nfs/dbraw/zinc/92/90/18/988929018.db2.gz ZZTWWCSJUXPTIL-IBGZPJMESA-N 1 0 371.481 2.758 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000916657521 989884119 /nfs/dbraw/zinc/88/41/19/989884119.db2.gz ALYUQUYHNHOQLV-QGZVFWFLSA-N 1 0 371.456 2.895 20 10 FFCDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000922974452 990772911 /nfs/dbraw/zinc/77/29/11/990772911.db2.gz PJWUKLARGQIEIV-QFIPXVFZSA-N 1 0 362.477 2.806 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649158 1015625002 /nfs/dbraw/zinc/62/50/02/1015625002.db2.gz NCCJYNZIOHXRQM-CVEARBPZSA-N 1 0 369.465 2.803 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1O ZINC000879651383 1015625655 /nfs/dbraw/zinc/62/56/55/1015625655.db2.gz SVBYLTVUWKGKEC-ZDUSSCGKSA-N 1 0 353.422 2.574 20 10 FFCDRO [NH3+]CC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000237760746 991341980 /nfs/dbraw/zinc/34/19/80/991341980.db2.gz JMJLMQNBRLKANA-AWEZNQCLSA-N 1 0 367.440 2.892 20 10 FFCDRO O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCc2ccccc21 ZINC000070975852 992364130 /nfs/dbraw/zinc/36/41/30/992364130.db2.gz FAHJNKGNWWCCFH-IBGZPJMESA-N 1 0 366.461 2.963 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001272706055 992413780 /nfs/dbraw/zinc/41/37/80/992413780.db2.gz JUHIYVSXWILYDB-UHFFFAOYSA-N 1 0 372.387 2.517 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184076566 992690484 /nfs/dbraw/zinc/69/04/84/992690484.db2.gz GWDJGJMYPQJVAO-HNNXBMFYSA-N 1 0 374.554 2.911 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000184255661 992712250 /nfs/dbraw/zinc/71/22/50/992712250.db2.gz HPLAJUUDIUMLGT-UHFFFAOYSA-N 1 0 354.410 2.989 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000747533413 994307719 /nfs/dbraw/zinc/30/77/19/994307719.db2.gz YXDDSHBUYNXLOD-OAQYLSRUSA-N 1 0 359.514 2.604 20 10 FFCDRO CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000809537595 994535106 /nfs/dbraw/zinc/53/51/06/994535106.db2.gz PDPSIPRNRFCBNU-HXUWFJFHSA-N 1 0 370.518 2.868 20 10 FFCDRO c1ccc(CN2CCc3cc(C[N@@H+]4CCN5CCOC[C@@H]5C4)ccc32)cc1 ZINC000809638529 994564154 /nfs/dbraw/zinc/56/41/54/994564154.db2.gz BEIAJACNEWQYLS-QFIPXVFZSA-N 1 0 363.505 2.766 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccccc3O)C[C@H]2C)cc1C ZINC001082429253 994608817 /nfs/dbraw/zinc/60/88/17/994608817.db2.gz SVYIBWVKBYKLIQ-CRAIPNDOSA-N 1 0 354.450 2.960 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](O)CC4(CCOCC4)C3)cc2)CC1 ZINC000880586253 1015880710 /nfs/dbraw/zinc/88/07/10/1015880710.db2.gz XWNQRUSHJICNTA-FQEVSTJZSA-N 1 0 374.525 2.665 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc1F ZINC000747622538 994869431 /nfs/dbraw/zinc/86/94/31/994869431.db2.gz OFWVOXVYKROZPZ-GOSISDBHSA-N 1 0 363.477 2.541 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448591 1015897591 /nfs/dbraw/zinc/89/75/91/1015897591.db2.gz QLVDJJYDGSAUQP-MGPUTAFESA-N 1 0 370.497 2.888 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2C)cc1C ZINC001082651219 995190336 /nfs/dbraw/zinc/19/03/36/995190336.db2.gz QGICTTNZIBABPD-YXRUOGEQSA-N 1 0 372.509 2.755 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824601662 997008025 /nfs/dbraw/zinc/00/80/25/997008025.db2.gz LMOFPCBJFLIACM-HNNXBMFYSA-N 1 0 361.486 2.688 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1N1CCCCC1 ZINC000826845255 1016100042 /nfs/dbraw/zinc/10/00/42/1016100042.db2.gz HZGFNRCOMRNEBF-KRWDZBQOSA-N 1 0 370.457 2.699 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CC4(CCC4)C3)CC2)cc1 ZINC000843520495 997422839 /nfs/dbraw/zinc/42/28/39/997422839.db2.gz RGRADVBYWKDWTP-UHFFFAOYSA-N 1 0 371.525 2.904 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000844398754 997857546 /nfs/dbraw/zinc/85/75/46/997857546.db2.gz BLTQTYVUQKPWIQ-MRXNPFEDSA-N 1 0 373.501 2.868 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000844520187 997969225 /nfs/dbraw/zinc/96/92/25/997969225.db2.gz WYZUZUXPYJLGMR-KRWDZBQOSA-N 1 0 362.518 2.505 20 10 FFCDRO CN(Cc1cnn(C)c1)C(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848342 998275200 /nfs/dbraw/zinc/27/52/00/998275200.db2.gz WTSDGVUMMKCSFL-UHFFFAOYSA-N 1 0 356.470 2.529 20 10 FFCDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)CC2=O)c1 ZINC001144508688 998611044 /nfs/dbraw/zinc/61/10/44/998611044.db2.gz VFNCQUZZZQPKPI-NRFANRHFSA-N 1 0 368.433 2.741 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001144504639 998611760 /nfs/dbraw/zinc/61/17/60/998611760.db2.gz YIDOWBIYAKHTHK-UHFFFAOYSA-N 1 0 364.442 2.779 20 10 FFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001144504130 998612398 /nfs/dbraw/zinc/61/23/98/998612398.db2.gz MLIYNQJXFUKAMF-UHFFFAOYSA-N 1 0 352.431 2.635 20 10 FFCDRO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001144514484 998626366 /nfs/dbraw/zinc/62/63/66/998626366.db2.gz HLTNDRLIUUAYNT-TXEJJXNPSA-N 1 0 352.431 2.633 20 10 FFCDRO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516374 998628525 /nfs/dbraw/zinc/62/85/25/998628525.db2.gz WQOFWMGLLVIMFQ-RISCZKNCSA-N 1 0 352.431 2.681 20 10 FFCDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000826947056 1016242711 /nfs/dbraw/zinc/24/27/11/1016242711.db2.gz MYTBJUZXJNZRML-IBGZPJMESA-N 1 0 363.458 2.558 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000733646458 999036958 /nfs/dbraw/zinc/03/69/58/999036958.db2.gz MZNXDPPBOLOHCI-UHFFFAOYSA-N 1 0 372.513 2.544 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@]2(C)CCOC2)cc1C ZINC001085375524 999417696 /nfs/dbraw/zinc/41/76/96/999417696.db2.gz RZTRIAMHVCESGT-DBXWQHBBSA-N 1 0 360.498 2.947 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCC3CC3)cc2F)CC1 ZINC000736405851 999553672 /nfs/dbraw/zinc/55/36/72/999553672.db2.gz PJGHWVOFXKASJP-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2ccn(C)n2)C1 ZINC000766453184 999995117 /nfs/dbraw/zinc/99/51/17/999995117.db2.gz PHKOVMQIUVAAQP-UHFFFAOYSA-N 1 0 366.465 2.885 20 10 FFCDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766519425 1000005695 /nfs/dbraw/zinc/00/56/95/1000005695.db2.gz VEEOKHTZSJEAMD-OAHLLOKOSA-N 1 0 359.449 2.605 20 10 FFCDRO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000103310857 1000062384 /nfs/dbraw/zinc/06/23/84/1000062384.db2.gz AIPUIJOJQINPGT-KRWDZBQOSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)c(OC)c1 ZINC001169961050 1000090661 /nfs/dbraw/zinc/09/06/61/1000090661.db2.gz GYGCROSCOPUDIL-MRXNPFEDSA-N 1 0 362.470 2.512 20 10 FFCDRO COc1cccc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1O ZINC000846048530 1000197356 /nfs/dbraw/zinc/19/73/56/1000197356.db2.gz LLXKWUQSAYSKBN-UXHICEINSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000768251775 1000200435 /nfs/dbraw/zinc/20/04/35/1000200435.db2.gz KDQGJEGIDABPAR-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO COc1c([O-])c(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066971 1000202551 /nfs/dbraw/zinc/20/25/51/1000202551.db2.gz KGSMROUYHLSDOW-QGZVFWFLSA-N 1 0 371.437 2.668 20 10 FFCDRO COCCOCCN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000846115795 1000203855 /nfs/dbraw/zinc/20/38/55/1000203855.db2.gz BBEXJKVFYMPIGJ-UHFFFAOYSA-N 1 0 370.493 2.840 20 10 FFCDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N3CCSCC3)cc1)C2 ZINC000846136627 1000217435 /nfs/dbraw/zinc/21/74/35/1000217435.db2.gz IJUPHQMZKUZHQD-PXNSSMCTSA-N 1 0 374.554 2.510 20 10 FFCDRO Cc1cccc(N(C(=O)c2cccc(O)c2O)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001148213823 1001068499 /nfs/dbraw/zinc/06/84/99/1001068499.db2.gz KGVOVJWVFUBDJR-KKSFZXQISA-N 1 0 368.433 2.574 20 10 FFCDRO CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000771762917 1001206873 /nfs/dbraw/zinc/20/68/73/1001206873.db2.gz PQLIHMRJWIJEJP-HXUWFJFHSA-N 1 0 355.482 2.941 20 10 FFCDRO CC(C)C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC(C)C ZINC000771841525 1001212046 /nfs/dbraw/zinc/21/20/46/1001212046.db2.gz FMWZXJVQHUKBHS-FQEVSTJZSA-N 1 0 361.530 2.894 20 10 FFCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000786162742 1001539932 /nfs/dbraw/zinc/53/99/32/1001539932.db2.gz XYRHEACUVNKDHG-IBGZPJMESA-N 1 0 358.457 2.664 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000786717513 1001618630 /nfs/dbraw/zinc/61/86/30/1001618630.db2.gz UUMDZFUNRCWCKQ-ZDUSSCGKSA-N 1 0 373.457 2.747 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3ncc4n3CCCC4)CC1)[C@@H](O)CO2 ZINC000788381044 1001797025 /nfs/dbraw/zinc/79/70/25/1001797025.db2.gz BCDBUYPGMUCDAW-IBGZPJMESA-N 1 0 369.465 2.730 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000774486033 1001927182 /nfs/dbraw/zinc/92/71/82/1001927182.db2.gz VKPAGDUNBCGVIW-KBPBESRZSA-N 1 0 354.454 2.529 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000774485485 1001927269 /nfs/dbraw/zinc/92/72/69/1001927269.db2.gz VFWISWNBUXMKLP-HUUCEWRRSA-N 1 0 360.502 2.950 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCc1ccccc1 ZINC000774484781 1001927883 /nfs/dbraw/zinc/92/78/83/1001927883.db2.gz SHAQKAZREXLTTL-JKSUJKDBSA-N 1 0 368.481 2.818 20 10 FFCDRO CCOC(=O)c1cnn2cc(C[NH2+]Cc3cc(Cl)ccc3O)cnc12 ZINC001182683719 1002008567 /nfs/dbraw/zinc/00/85/67/1002008567.db2.gz FPXRBPUNDPMXFN-UHFFFAOYSA-N 1 0 360.801 2.555 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccnc(-c3ccccn3)n2)cc1OC ZINC001183533960 1002312278 /nfs/dbraw/zinc/31/22/78/1002312278.db2.gz OIJMJPITLYIXFI-UHFFFAOYSA-N 1 0 352.394 2.551 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1O ZINC001276247690 1016612491 /nfs/dbraw/zinc/61/24/91/1016612491.db2.gz HQHGIBYMNKBFMJ-NRFANRHFSA-N 1 0 358.482 2.655 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000790455703 1002383914 /nfs/dbraw/zinc/38/39/14/1002383914.db2.gz KNUFEJCBKCCZBQ-HNNXBMFYSA-N 1 0 368.433 2.529 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCc2ccn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000774989761 1003240586 /nfs/dbraw/zinc/24/05/86/1003240586.db2.gz POMVSWDIGJPIQS-UHFFFAOYSA-N 1 0 368.393 2.827 20 10 FFCDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)nn1 ZINC000793569774 1003424413 /nfs/dbraw/zinc/42/44/13/1003424413.db2.gz QCDYTQIZKCTJOV-INIZCTEOSA-N 1 0 371.485 2.796 20 10 FFCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H](C)C1 ZINC000793586254 1003432110 /nfs/dbraw/zinc/43/21/10/1003432110.db2.gz HNAYQHRCPNJQQE-MSOLQXFVSA-N 1 0 370.493 2.858 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccc1C ZINC000747232550 1003955993 /nfs/dbraw/zinc/95/59/93/1003955993.db2.gz YBYGTKMZVSQJHE-MOPGFXCFSA-N 1 0 367.493 2.996 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000807033190 1004493716 /nfs/dbraw/zinc/49/37/16/1004493716.db2.gz YNURYXSVIAZVMR-INIZCTEOSA-N 1 0 363.477 2.747 20 10 FFCDRO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775828068 1004535043 /nfs/dbraw/zinc/53/50/43/1004535043.db2.gz PVVNIZHCRKKDJR-AWEZNQCLSA-N 1 0 355.438 2.829 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2cccc(I)c2[O-])CC[C@H]1C[NH3+] ZINC001205651463 1004637469 /nfs/dbraw/zinc/63/74/69/1004637469.db2.gz FLNPOUKSSJBKHF-RYUDHWBXSA-N 1 0 374.266 2.804 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCN(C(=O)CC(C)(C)C)CC3)cc2)CC1 ZINC000775650296 1004935018 /nfs/dbraw/zinc/93/50/18/1004935018.db2.gz YACOVYLRPBWISV-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1OC ZINC000775979245 1004948671 /nfs/dbraw/zinc/94/86/71/1004948671.db2.gz TVHSUPYBJVVKNM-KFKAGJAMSA-N 1 0 363.458 2.867 20 10 FFCDRO C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776250549 1005313791 /nfs/dbraw/zinc/31/37/91/1005313791.db2.gz VNNKPWQVDYMDIH-KRWDZBQOSA-N 1 0 374.529 2.567 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000850346424 1005808963 /nfs/dbraw/zinc/80/89/63/1005808963.db2.gz VBINREDFLBQTQW-LJQANCHMSA-N 1 0 367.493 2.900 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)sc(=O)n4C)C2)cc1 ZINC000850346560 1005809051 /nfs/dbraw/zinc/80/90/51/1005809051.db2.gz HBPZYUPEDUOYAM-HNNXBMFYSA-N 1 0 369.490 2.977 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1O ZINC000850359710 1005811172 /nfs/dbraw/zinc/81/11/72/1005811172.db2.gz OVCVODRGOBLVLJ-OAHLLOKOSA-N 1 0 356.422 2.695 20 10 FFCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000850406653 1005813699 /nfs/dbraw/zinc/81/36/99/1005813699.db2.gz OVCFOLGOERPMCB-UHFFFAOYSA-N 1 0 359.401 2.985 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCCn4nccc43)CC2)cc1 ZINC000850421975 1005814788 /nfs/dbraw/zinc/81/47/88/1005814788.db2.gz BCJLYINABCXWCS-FQEVSTJZSA-N 1 0 369.513 2.529 20 10 FFCDRO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850473829 1005817642 /nfs/dbraw/zinc/81/76/42/1005817642.db2.gz GCYVRGAUVYAACG-OALUTQOASA-N 1 0 362.514 2.943 20 10 FFCDRO OCCO[C@]1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000850509605 1005819439 /nfs/dbraw/zinc/81/94/39/1005819439.db2.gz RZPUDELERNIMOP-IRLDBZIGSA-N 1 0 371.477 2.824 20 10 FFCDRO OCCO[C@@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000850509606 1005819658 /nfs/dbraw/zinc/81/96/58/1005819658.db2.gz RZPUDELERNIMOP-RBBKRZOGSA-N 1 0 371.477 2.824 20 10 FFCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567156 1005823052 /nfs/dbraw/zinc/82/30/52/1005823052.db2.gz XMCVPBFAYJQCQU-FQEVSTJZSA-N 1 0 354.494 2.995 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850753193 1005836335 /nfs/dbraw/zinc/83/63/35/1005836335.db2.gz ZHGWSDNCTZCARE-MRXNPFEDSA-N 1 0 354.454 2.815 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000850762235 1005837630 /nfs/dbraw/zinc/83/76/30/1005837630.db2.gz HGLXBKURKICLPR-YJYMSZOUSA-N 1 0 371.437 2.511 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3([NH3+])CCCCCC3)C2)cc1 ZINC000851661591 1005904119 /nfs/dbraw/zinc/90/41/19/1005904119.db2.gz LZJSYGFOURCAOX-INIZCTEOSA-N 1 0 360.502 2.625 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000851662794 1005904475 /nfs/dbraw/zinc/90/44/75/1005904475.db2.gz JWQHLFTVWHEOJR-OAQYLSRUSA-N 1 0 366.509 2.770 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000851662651 1005904606 /nfs/dbraw/zinc/90/46/06/1005904606.db2.gz GLZLJNITQPNTNT-MAUKXSAKSA-N 1 0 368.481 2.793 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000851958329 1005926534 /nfs/dbraw/zinc/92/65/34/1005926534.db2.gz AYWKPALRZORKDO-KURKYZTESA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000851972935 1005928246 /nfs/dbraw/zinc/92/82/46/1005928246.db2.gz UHNBQDUOHQKFIJ-GOSISDBHSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C2)cc1 ZINC000852196675 1005950145 /nfs/dbraw/zinc/95/01/45/1005950145.db2.gz UJLGKZAQZJNHIJ-JKSUJKDBSA-N 1 0 362.518 2.549 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000852403277 1006007368 /nfs/dbraw/zinc/00/73/68/1006007368.db2.gz KPSVTXMEEZIFFU-VDGAXYAQSA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000852403271 1006007936 /nfs/dbraw/zinc/00/79/36/1006007936.db2.gz KPSVTXMEEZIFFU-DBVUQKKJSA-N 1 0 372.513 2.590 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1-c1ccon1 ZINC000852791503 1006184880 /nfs/dbraw/zinc/18/48/80/1006184880.db2.gz IHDSIKYIWUJRRN-GOSISDBHSA-N 1 0 367.453 2.578 20 10 FFCDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868529 1006212917 /nfs/dbraw/zinc/21/29/17/1006212917.db2.gz IGLOSYOFEYHOFU-HXUWFJFHSA-N 1 0 359.514 2.562 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccc(Cl)c1 ZINC000853121787 1006305288 /nfs/dbraw/zinc/30/52/88/1006305288.db2.gz IAAPDMDXVSYDIL-OAQYLSRUSA-N 1 0 374.912 2.994 20 10 FFCDRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235520 1006363036 /nfs/dbraw/zinc/36/30/36/1006363036.db2.gz SNFBIULZEMOCAR-QGZVFWFLSA-N 1 0 370.449 2.513 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](N(C)C(=O)N(C)C)C3)c2c1 ZINC000853583883 1006457726 /nfs/dbraw/zinc/45/77/26/1006457726.db2.gz YEJJXCZCZRJADC-OAHLLOKOSA-N 1 0 357.454 2.742 20 10 FFCDRO Cc1cc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)ccc1N(C)C ZINC000815140592 1006528343 /nfs/dbraw/zinc/52/83/43/1006528343.db2.gz CFEAIVQAOFUQQZ-OAQYLSRUSA-N 1 0 351.494 2.994 20 10 FFCDRO CC(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n2ncnc2n1 ZINC000882880404 1006546319 /nfs/dbraw/zinc/54/63/19/1006546319.db2.gz QFQHIZGSHMTONN-UHFFFAOYSA-N 1 0 365.485 2.612 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000883370657 1006768139 /nfs/dbraw/zinc/76/81/39/1006768139.db2.gz PLGIIVMGNJSFOP-TZIWHRDSSA-N 1 0 374.573 2.590 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883370937 1006768654 /nfs/dbraw/zinc/76/86/54/1006768654.db2.gz VLUQUVRVBDMRNY-UNMCSNQZSA-N 1 0 374.573 2.590 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883628054 1006915726 /nfs/dbraw/zinc/91/57/26/1006915726.db2.gz YYZDJRDVUDFYSX-QFBILLFUSA-N 1 0 374.529 2.756 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C(F)(F)F)CC3)cc2)CC1 ZINC000883693131 1006950406 /nfs/dbraw/zinc/95/04/06/1006950406.db2.gz USLDYZRLFRXDGI-UHFFFAOYSA-N 1 0 370.419 2.580 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@]3(C)CC3(F)F)cc2)CC1 ZINC000883776003 1007000457 /nfs/dbraw/zinc/00/04/57/1007000457.db2.gz OOCRYFNAXDFGNM-GOSISDBHSA-N 1 0 366.456 2.673 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000775254528 1007100450 /nfs/dbraw/zinc/10/04/50/1007100450.db2.gz KOQMTATXZZUUQM-QGZVFWFLSA-N 1 0 353.466 2.837 20 10 FFCDRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816537956 1007101784 /nfs/dbraw/zinc/10/17/84/1007101784.db2.gz ZIPJVTBHJZLUPP-UHFFFAOYSA-N 1 0 370.474 2.755 20 10 FFCDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000816562920 1007120286 /nfs/dbraw/zinc/12/02/86/1007120286.db2.gz DJVCWUBIELWHSG-QGZVFWFLSA-N 1 0 365.355 2.819 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775259402 1007131486 /nfs/dbraw/zinc/13/14/86/1007131486.db2.gz IVFUFARXOCVSRJ-INIZCTEOSA-N 1 0 371.456 2.629 20 10 FFCDRO C[NH+](C)CCc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000816898758 1007246462 /nfs/dbraw/zinc/24/64/62/1007246462.db2.gz GUKTWVXGVNNJAV-UHFFFAOYSA-N 1 0 367.493 2.557 20 10 FFCDRO CN1CCCc2cc(CNC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)ccc21 ZINC000816911757 1007269814 /nfs/dbraw/zinc/26/98/14/1007269814.db2.gz XMFQBOYUGAPURR-LJQANCHMSA-N 1 0 373.566 2.903 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368812 1007511252 /nfs/dbraw/zinc/51/12/52/1007511252.db2.gz GMNUMKIYYMREJC-NWDGAFQWSA-N 1 0 358.394 2.807 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)C1 ZINC000817888152 1007784911 /nfs/dbraw/zinc/78/49/11/1007784911.db2.gz BZYRKDACVCGZJM-CZAAIQMYSA-N 1 0 364.493 2.623 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C1 ZINC000817888153 1007785090 /nfs/dbraw/zinc/78/50/90/1007785090.db2.gz BZYRKDACVCGZJM-HBGVWJBISA-N 1 0 364.493 2.623 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C1 ZINC000817888155 1007785690 /nfs/dbraw/zinc/78/56/90/1007785690.db2.gz BZYRKDACVCGZJM-TYCQWZJGSA-N 1 0 364.493 2.623 20 10 FFCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897995 1007804161 /nfs/dbraw/zinc/80/41/61/1007804161.db2.gz YKMKQYYHNPQAII-PMACEKPBSA-N 1 0 359.514 2.839 20 10 FFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206372325 1032257311 /nfs/dbraw/zinc/25/73/11/1032257311.db2.gz ZVYRJKCEWVAMFP-HNNXBMFYSA-N 1 0 350.356 2.986 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000114509716 1007936008 /nfs/dbraw/zinc/93/60/08/1007936008.db2.gz VWDRTDVSAAJZDZ-HXUWFJFHSA-N 1 0 362.420 2.799 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)cc1 ZINC000818613114 1007951793 /nfs/dbraw/zinc/95/17/93/1007951793.db2.gz FPECPLIZMTWVAC-UXPWSPDFSA-N 1 0 359.514 2.935 20 10 FFCDRO CCCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC[NH2+]CC1 ZINC000818658039 1007962359 /nfs/dbraw/zinc/96/23/59/1007962359.db2.gz NRBFLDJALODLMH-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000114589219 1007969116 /nfs/dbraw/zinc/96/91/16/1007969116.db2.gz DJGIGJXRIAWZLC-HNNXBMFYSA-N 1 0 369.465 2.647 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000819696602 1008208118 /nfs/dbraw/zinc/20/81/18/1008208118.db2.gz XWVCUNLFZHZYOP-UHFFFAOYSA-N 1 0 370.449 2.659 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858159828 1008313949 /nfs/dbraw/zinc/31/39/49/1008313949.db2.gz HOMWQZLXMJFDHM-MSOLQXFVSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000858348735 1008348932 /nfs/dbraw/zinc/34/89/32/1008348932.db2.gz RSRDCCYBKIWIFJ-NQIIRXRSSA-N 1 0 361.530 2.755 20 10 FFCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000858356306 1008349613 /nfs/dbraw/zinc/34/96/13/1008349613.db2.gz YQJFFABDRIELFL-UHFFFAOYSA-N 1 0 364.461 2.874 20 10 FFCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000858528948 1008376020 /nfs/dbraw/zinc/37/60/20/1008376020.db2.gz UOFFQOHJWMESPN-IFXJQAMLSA-N 1 0 369.440 2.876 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000858598687 1008388939 /nfs/dbraw/zinc/38/89/39/1008388939.db2.gz GTJMJQMWNGXELM-LPHOPBHVSA-N 1 0 372.513 2.590 20 10 FFCDRO CCC1(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CCOCC1 ZINC001177515402 1008637999 /nfs/dbraw/zinc/63/79/99/1008637999.db2.gz QVOOJHQFJFEGRG-UHFFFAOYSA-N 1 0 361.530 2.614 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@]4(CO[C@H](C)C4)O3)CC2)cc1 ZINC000886329809 1008639368 /nfs/dbraw/zinc/63/93/68/1008639368.db2.gz JNCJBDPNBCOTCM-TYCQWZJGSA-N 1 0 360.498 2.980 20 10 FFCDRO C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886536686 1008723293 /nfs/dbraw/zinc/72/32/93/1008723293.db2.gz NAXDVBPZZHNSGD-CQSZACIVSA-N 1 0 365.493 2.809 20 10 FFCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC(F)(F)C(F)(F)F)cc1 ZINC001170995869 1008767608 /nfs/dbraw/zinc/76/76/08/1008767608.db2.gz XRFBMPJBGOYQHW-UHFFFAOYSA-N 1 0 356.291 2.549 20 10 FFCDRO Cc1cc(NC(=O)NCc2cc(C)ccc2O)n(C2CC[NH+](C)CC2)n1 ZINC000860742380 1009134133 /nfs/dbraw/zinc/13/41/33/1009134133.db2.gz JOGORAJOUOQRFQ-UHFFFAOYSA-N 1 0 357.458 2.794 20 10 FFCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000823671919 1009167303 /nfs/dbraw/zinc/16/73/03/1009167303.db2.gz XQBVFVWFMIOWMS-KBPBESRZSA-N 1 0 361.465 2.649 20 10 FFCDRO CCn1nc(C)c(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000823765778 1009219708 /nfs/dbraw/zinc/21/97/08/1009219708.db2.gz YIYKSJZRAQXFIB-UHFFFAOYSA-N 1 0 365.428 2.966 20 10 FFCDRO C[NH+]1CCN(c2ccc(F)cc2NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179686828 1009401363 /nfs/dbraw/zinc/40/13/63/1009401363.db2.gz BCHKMPUVKRCDOD-XVNBXDOJSA-N 1 0 371.412 2.641 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)ccc1OC ZINC001179711941 1009419724 /nfs/dbraw/zinc/41/97/24/1009419724.db2.gz DIQNGDMTWUDUEM-MRXNPFEDSA-N 1 0 366.458 2.872 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001180129592 1009557387 /nfs/dbraw/zinc/55/73/87/1009557387.db2.gz YMEOJQDORVCZEO-UHFFFAOYSA-N 1 0 354.878 2.800 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)c2C)cc1 ZINC000861908847 1009616971 /nfs/dbraw/zinc/61/69/71/1009616971.db2.gz XDHHVKKPELDBSM-PMOLBWCYSA-N 1 0 353.466 2.735 20 10 FFCDRO Cc1cn2cc(NC(=O)C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccc2n1 ZINC000773855623 1009657511 /nfs/dbraw/zinc/65/75/11/1009657511.db2.gz GBVSPZSPKLLAEN-CQSZACIVSA-N 1 0 365.437 2.525 20 10 FFCDRO C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670387 1010048620 /nfs/dbraw/zinc/04/86/20/1010048620.db2.gz OLOJAARCLZAACF-KRWDZBQOSA-N 1 0 367.497 2.736 20 10 FFCDRO C[N@H+](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000863891467 1010347532 /nfs/dbraw/zinc/34/75/32/1010347532.db2.gz REOIKCRTAPPNKR-AWEZNQCLSA-N 1 0 367.440 2.857 20 10 FFCDRO CCOC(=O)CCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000774070067 1010456891 /nfs/dbraw/zinc/45/68/91/1010456891.db2.gz TZGRVIYNNQIFGD-UHFFFAOYSA-N 1 0 372.465 2.904 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C(=O)C(C)(C)C)C[C@H]2C)cc1C ZINC001093679318 1010462909 /nfs/dbraw/zinc/46/29/09/1010462909.db2.gz NTIWMZLAENFBLR-NVXWUHKLSA-N 1 0 360.498 2.803 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C)nn3)C[C@H]2C)cc1C ZINC001093763986 1010534610 /nfs/dbraw/zinc/53/46/10/1010534610.db2.gz HXRKZVVERAXTKY-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnc(C)n3C)C[C@H]2C)cc1C ZINC001093995589 1010758888 /nfs/dbraw/zinc/75/88/88/1010758888.db2.gz YVSKAFPZCKJVGR-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc([C@H](C)O)cn3)CC2)cc1 ZINC000865415872 1010779332 /nfs/dbraw/zinc/77/93/32/1010779332.db2.gz RFTWZXCUNPWUMI-KRWDZBQOSA-N 1 0 370.497 2.768 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cnc4c(cnn4C)c3)CC2)cc1 ZINC000865444483 1010787773 /nfs/dbraw/zinc/78/77/73/1010787773.db2.gz PZKWGDOCOKQTFV-UHFFFAOYSA-N 1 0 351.454 2.736 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3[nH]c(C)nc3C)C[C@H]2C)cc1C ZINC001094052345 1010810835 /nfs/dbraw/zinc/81/08/35/1010810835.db2.gz IZODKDNYBBKXNH-RDTXWAMCSA-N 1 0 370.497 2.841 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000866528873 1011011609 /nfs/dbraw/zinc/01/16/09/1011011609.db2.gz BJQRLXUUISHWJB-YLJYHZDGSA-N 1 0 360.498 2.760 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCc2ccnc(N3CCSCC3)c2)c1 ZINC000868952666 1011545053 /nfs/dbraw/zinc/54/50/53/1011545053.db2.gz MKUGTCGMXWJTBD-UHFFFAOYSA-N 1 0 372.494 2.648 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000303275160 1011958310 /nfs/dbraw/zinc/95/83/10/1011958310.db2.gz DDCTUWWYXIBRKT-UHFFFAOYSA-N 1 0 369.509 2.931 20 10 FFCDRO CC(C)(C)C(=O)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001275228128 1012106842 /nfs/dbraw/zinc/10/68/42/1012106842.db2.gz VQEPICZOFZPNJL-NRFANRHFSA-N 1 0 358.482 2.964 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001275243012 1012131877 /nfs/dbraw/zinc/13/18/77/1012131877.db2.gz WIKMBRXSEJLFJR-JLTOFOAXSA-N 1 0 360.454 2.540 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)CN1C1COC1 ZINC001275254754 1012148203 /nfs/dbraw/zinc/14/82/03/1012148203.db2.gz VSNNVTMISKSNOW-UHFFFAOYSA-N 1 0 364.873 2.649 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)c1 ZINC001275253649 1012151916 /nfs/dbraw/zinc/15/19/16/1012151916.db2.gz DNVBMJHKMIOCOC-KRWDZBQOSA-N 1 0 372.387 2.920 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1O ZINC001275279983 1012193550 /nfs/dbraw/zinc/19/35/50/1012193550.db2.gz RAMFKANTSBHUAS-KRWDZBQOSA-N 1 0 372.387 2.783 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)cc1 ZINC001275372608 1012375350 /nfs/dbraw/zinc/37/53/50/1012375350.db2.gz IIABLWNPLPTMCS-OAQYLSRUSA-N 1 0 353.466 2.527 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)c(O)c1 ZINC001275388571 1012410682 /nfs/dbraw/zinc/41/06/82/1012410682.db2.gz SRPQTGBOUCKLDV-NRFANRHFSA-N 1 0 351.450 2.863 20 10 FFCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(O)cc3O)CC2)cc1 ZINC001173400687 1012529455 /nfs/dbraw/zinc/52/94/55/1012529455.db2.gz NARQYPHKJIECOW-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796384283 1012567908 /nfs/dbraw/zinc/56/79/08/1012567908.db2.gz NOFOOENHQRIZIZ-PXNSSMCTSA-N 1 0 361.530 2.727 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001275596546 1012669031 /nfs/dbraw/zinc/66/90/31/1012669031.db2.gz ADXFVOUIJUMPSS-UTKZUKDTSA-N 1 0 359.514 2.602 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)OC ZINC001173566460 1012713826 /nfs/dbraw/zinc/71/38/26/1012713826.db2.gz LBJMZOREBRRVBT-LUPIEILUSA-N 1 0 374.481 2.507 20 10 FFCDRO O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001275671696 1012814998 /nfs/dbraw/zinc/81/49/98/1012814998.db2.gz JXBUCRNCSGEPMS-CQSZACIVSA-N 1 0 372.387 2.769 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)cc1 ZINC000828353361 1032678768 /nfs/dbraw/zinc/67/87/68/1032678768.db2.gz MWGACMBDECFEGQ-HXUWFJFHSA-N 1 0 371.456 2.662 20 10 FFCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924716795 1017443586 /nfs/dbraw/zinc/44/35/86/1017443586.db2.gz QSSROWFEFJCPET-AIANPOQGSA-N 1 0 363.477 2.586 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2F)C[C@@H](C)O1 ZINC000827363935 1017771488 /nfs/dbraw/zinc/77/14/88/1017771488.db2.gz AHORWHMGOUJMAQ-HUUCEWRRSA-N 1 0 363.477 2.575 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000827526396 1018407471 /nfs/dbraw/zinc/40/74/71/1018407471.db2.gz MEFOXAIBEYANIK-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1CCC([NH+]2CCOCC2)CC1 ZINC000901131728 1018758985 /nfs/dbraw/zinc/75/89/85/1018758985.db2.gz NWISRQIUKUWHKB-UHFFFAOYSA-N 1 0 372.509 2.778 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222149435 1032788929 /nfs/dbraw/zinc/78/89/29/1032788929.db2.gz YRWDPCUIFFNGNJ-OAHLLOKOSA-N 1 0 372.250 2.572 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902066523 1019778826 /nfs/dbraw/zinc/77/88/26/1019778826.db2.gz ZMAPBBGIYAOWOR-UYAOXDASSA-N 1 0 359.514 2.948 20 10 FFCDRO Cn1cc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2(C)C)cn1 ZINC000930587674 1020092976 /nfs/dbraw/zinc/09/29/76/1020092976.db2.gz KIGZAUUPQQNUMB-HXUWFJFHSA-N 1 0 354.498 2.882 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)c2ccccc2O)[C@H](c2cnn(C)c2)C1 ZINC000827956372 1020124310 /nfs/dbraw/zinc/12/43/10/1020124310.db2.gz LCBFALZMYWZGDV-LZQZEXGQSA-N 1 0 370.497 2.817 20 10 FFCDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000800308835 1020204808 /nfs/dbraw/zinc/20/48/08/1020204808.db2.gz BINRDNQMNBFCLF-IEBWSBKVSA-N 1 0 374.506 2.867 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN1CCO[C@@H](C)C1 ZINC000725718036 1020248733 /nfs/dbraw/zinc/24/87/33/1020248733.db2.gz UILKSDXKOFNBTM-SFHVURJKSA-N 1 0 355.482 2.853 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900293021 1020337687 /nfs/dbraw/zinc/33/76/87/1020337687.db2.gz RUMJMDYSBXJFQY-UHFFFAOYSA-N 1 0 374.573 2.906 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H]2C)cc1C ZINC001074751158 1020678508 /nfs/dbraw/zinc/67/85/08/1020678508.db2.gz QYMQSRQAQAMOPS-QLAGNHFFSA-N 1 0 372.509 2.898 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C)cc1C ZINC001074903779 1020689116 /nfs/dbraw/zinc/68/91/16/1020689116.db2.gz WKDJLNTYGHILGQ-ANSOJVFESA-N 1 0 358.482 2.650 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(F)ccc1O ZINC000800993760 1020690608 /nfs/dbraw/zinc/69/06/08/1020690608.db2.gz NBQUVXGRNLGEBK-HOCLYGCPSA-N 1 0 358.413 2.862 20 10 FFCDRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002469 1032940808 /nfs/dbraw/zinc/94/08/08/1032940808.db2.gz AWFRWLRRBGBENO-UYAOXDASSA-N 1 0 366.461 2.787 20 10 FFCDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116449602 1021223276 /nfs/dbraw/zinc/22/32/76/1021223276.db2.gz RKFYZAHRQAPPMJ-HXUWFJFHSA-N 1 0 371.504 2.957 20 10 FFCDRO CN1CCN(c2ccc(CN(CC[NH+](C)C)Cc3ccco3)cc2F)CC1 ZINC001117643819 1021793430 /nfs/dbraw/zinc/79/34/30/1021793430.db2.gz UYYMVKBFSVQTNO-UHFFFAOYSA-N 1 0 374.504 2.734 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(O)c1 ZINC001117750348 1021858739 /nfs/dbraw/zinc/85/87/39/1021858739.db2.gz HPYKLSYBVNFMGG-LHSJRXKWSA-N 1 0 367.449 2.914 20 10 FFCDRO CCC[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C(F)(F)F ZINC001099347636 1022345261 /nfs/dbraw/zinc/34/52/61/1022345261.db2.gz OSLFWOYGCDMUKP-CHWSQXEVSA-N 1 0 371.363 2.852 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1C ZINC001019174155 1022415347 /nfs/dbraw/zinc/41/53/47/1022415347.db2.gz MGYJTOQGIWHBOG-NSHGMRRFSA-N 1 0 358.482 2.509 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCC3(C[NH2+]C3)C1)C(=O)c1ccccc1C2=O ZINC001218240261 1033065123 /nfs/dbraw/zinc/06/51/23/1033065123.db2.gz YOPSHVZRLVTSIB-CYBMUJFWSA-N 1 0 363.413 2.997 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1O ZINC000750816953 1022577506 /nfs/dbraw/zinc/57/75/06/1022577506.db2.gz DWMYPZUXUBPTPG-AWEZNQCLSA-N 1 0 371.412 2.980 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[C@@H]3CC[NH2+][C@H]3C1)C(=O)c1ccccc1C2=O ZINC001218252671 1033068069 /nfs/dbraw/zinc/06/80/69/1033068069.db2.gz UOCIBCHKCPWRPJ-AHIWAGSCSA-N 1 0 363.413 2.995 20 10 FFCDRO C[C@@H]1[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCCN1C(=O)OC(C)(C)C ZINC000381831974 1022742945 /nfs/dbraw/zinc/74/29/45/1022742945.db2.gz XONXAKAEAXETET-TZMCWYRMSA-N 1 0 364.442 2.999 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218314753 1033101075 /nfs/dbraw/zinc/10/10/75/1033101075.db2.gz TYSHGZFZFTTZMH-MRXNPFEDSA-N 1 0 351.402 2.935 20 10 FFCDRO Fc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)ccc1N1CCOCC1 ZINC000756032653 1023660993 /nfs/dbraw/zinc/66/09/93/1023660993.db2.gz IZNDHOUDWZLOGF-UHFFFAOYSA-N 1 0 356.445 2.662 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756856844 1023760400 /nfs/dbraw/zinc/76/04/00/1023760400.db2.gz LUIARJQRYACWAF-LPHOPBHVSA-N 1 0 356.466 2.725 20 10 FFCDRO COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000779429036 1023824052 /nfs/dbraw/zinc/82/40/52/1023824052.db2.gz NABYQWWDYXZJLN-OWNNVSBGSA-N 1 0 361.442 2.948 20 10 FFCDRO Cc1cc(C(=O)NC2(CCO)CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000779445060 1023869950 /nfs/dbraw/zinc/86/99/50/1023869950.db2.gz VRWYFXPOTRRWFY-UHFFFAOYSA-N 1 0 369.509 2.979 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137835591 1033174100 /nfs/dbraw/zinc/17/41/00/1033174100.db2.gz KHVRQNQSOIJAKR-HXUWFJFHSA-N 1 0 355.413 2.551 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3ccccc3C)CC1)cc2=O ZINC000829495351 1033185350 /nfs/dbraw/zinc/18/53/50/1033185350.db2.gz MLCPPFSPRHAAJU-UHFFFAOYSA-N 1 0 366.421 2.699 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC001121925569 1024176185 /nfs/dbraw/zinc/17/61/85/1024176185.db2.gz BHWNAWRXLMXSNB-RBSFLKMASA-N 1 0 367.440 2.761 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000758719879 1024267464 /nfs/dbraw/zinc/26/74/64/1024267464.db2.gz JNRDLCWUJRXRPI-MJGOQNOKSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)c1 ZINC001122028034 1024272322 /nfs/dbraw/zinc/27/23/22/1024272322.db2.gz MZEMCIIVKPTNJK-ZSZQSSIHSA-N 1 0 354.450 2.656 20 10 FFCDRO CC[C@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001276850914 1033206358 /nfs/dbraw/zinc/20/63/58/1033206358.db2.gz HAXKHHWPCFXGSE-LAUBAEHRSA-N 1 0 359.514 2.602 20 10 FFCDRO CC[C@@H](C)[N@@H+]1CCC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276851394 1033211589 /nfs/dbraw/zinc/21/15/89/1033211589.db2.gz JRJRYADQALGHBI-IERDGZPVSA-N 1 0 357.498 2.892 20 10 FFCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(O)cc1O ZINC000194276738 1024769694 /nfs/dbraw/zinc/76/96/94/1024769694.db2.gz MGXFEGAYFDWJAP-UHFFFAOYSA-N 1 0 367.449 2.882 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000083114854 1025046311 /nfs/dbraw/zinc/04/63/11/1025046311.db2.gz QBHDDPYFCXGEPT-UHFFFAOYSA-N 1 0 356.466 2.851 20 10 FFCDRO CN(CC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1)C(=O)OC(C)(C)C ZINC001141141362 1025509440 /nfs/dbraw/zinc/50/94/40/1025509440.db2.gz XSISFTCLWIYGAL-UHFFFAOYSA-N 1 0 361.486 2.814 20 10 FFCDRO Cc1cccnc1N1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141142791 1025513090 /nfs/dbraw/zinc/51/30/90/1025513090.db2.gz BGLDJOZADYHZDA-UHFFFAOYSA-N 1 0 352.482 2.931 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001141159884 1025542849 /nfs/dbraw/zinc/54/28/49/1025542849.db2.gz MBNRLEWDXFTGAL-MRXNPFEDSA-N 1 0 374.412 2.834 20 10 FFCDRO COc1cc(OC)c2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCC2 ZINC000638530963 1025875886 /nfs/dbraw/zinc/87/58/86/1025875886.db2.gz POYVNOMPWUBUIZ-UHFFFAOYSA-N 1 0 352.434 2.943 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000838190100 1026249150 /nfs/dbraw/zinc/24/91/50/1026249150.db2.gz BJMYJCCAMQZMAP-IBGZPJMESA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000246758401 1026428940 /nfs/dbraw/zinc/42/89/40/1026428940.db2.gz ZWUVZFPRUYKGEC-OXJNMPFZSA-N 1 0 374.529 2.646 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1O ZINC000838906651 1026530774 /nfs/dbraw/zinc/53/07/74/1026530774.db2.gz LQMXJUNTPBFJMZ-JKSUJKDBSA-N 1 0 367.449 2.896 20 10 FFCDRO Cn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(C(F)F)n1 ZINC000839145709 1026604465 /nfs/dbraw/zinc/60/44/65/1026604465.db2.gz SNCBSNXWHBGBPM-UHFFFAOYSA-N 1 0 372.366 2.762 20 10 FFCDRO CNC(=O)NC(=O)CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000839531194 1026717185 /nfs/dbraw/zinc/71/71/85/1026717185.db2.gz GVPHTRJKKHQTHF-OAHLLOKOSA-N 1 0 355.438 2.801 20 10 FFCDRO C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000839786598 1026827578 /nfs/dbraw/zinc/82/75/78/1026827578.db2.gz WEBDSAYZOOYEQX-AWEZNQCLSA-N 1 0 358.413 2.831 20 10 FFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092710281 1027414999 /nfs/dbraw/zinc/41/49/99/1027414999.db2.gz WGBPNAZWBWXIMA-LJQANCHMSA-N 1 0 359.514 2.652 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC000093052834 1027586178 /nfs/dbraw/zinc/58/61/78/1027586178.db2.gz FZYJQOWOQKISSK-UHFFFAOYSA-N 1 0 359.514 2.609 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)[C@H](O)CO2 ZINC000795702719 1027896995 /nfs/dbraw/zinc/89/69/95/1027896995.db2.gz VUUKQSJNUCUAOU-RCLSDMTESA-N 1 0 367.445 2.823 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001161134844 1028030085 /nfs/dbraw/zinc/03/00/85/1028030085.db2.gz PUOSULMTGSREJZ-SFTDATJTSA-N 1 0 367.493 2.911 20 10 FFCDRO C[C@@H]1C[N@H+](CCCF)C[C@H]1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001103766977 1028168668 /nfs/dbraw/zinc/16/86/68/1028168668.db2.gz SNWQOXZHBCWICZ-UKRRQHHQSA-N 1 0 363.437 2.896 20 10 FFCDRO C[C@]1(CC(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC001161532699 1028218953 /nfs/dbraw/zinc/21/89/53/1028218953.db2.gz WXSNNDMCLLZHHF-QGZVFWFLSA-N 1 0 371.403 2.624 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](C)C3)cc2F)CC1 ZINC000780414151 1028686263 /nfs/dbraw/zinc/68/62/63/1028686263.db2.gz BXUQACVKBBOUKW-WBVHZDCISA-N 1 0 362.493 2.955 20 10 FFCDRO CCc1ccnc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001164327500 1029247628 /nfs/dbraw/zinc/24/76/28/1029247628.db2.gz JGTHNOZZHSEZIQ-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO C=C(OCC)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC001156656399 1029291593 /nfs/dbraw/zinc/29/15/93/1029291593.db2.gz SCRHCZOXQQKYAB-UHFFFAOYSA-N 1 0 353.470 2.848 20 10 FFCDRO COC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1C ZINC001156658108 1029294364 /nfs/dbraw/zinc/29/43/64/1029294364.db2.gz SFTGAGZHPHFICA-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)O1 ZINC000781909114 1029468051 /nfs/dbraw/zinc/46/80/51/1029468051.db2.gz IDTMRQQDOIMAJD-QZTJIDSGSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935750 1029933348 /nfs/dbraw/zinc/93/33/48/1029933348.db2.gz COAZUUBSGQRPTA-SFHVURJKSA-N 1 0 374.481 2.608 20 10 FFCDRO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975166 1029957018 /nfs/dbraw/zinc/95/70/18/1029957018.db2.gz DGRRJORIEODHII-HNNXBMFYSA-N 1 0 358.486 2.692 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000841016877 1029978624 /nfs/dbraw/zinc/97/86/24/1029978624.db2.gz QPEJLUOEDJPVMH-HNNXBMFYSA-N 1 0 368.481 2.807 20 10 FFCDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045388 1030001003 /nfs/dbraw/zinc/00/10/03/1030001003.db2.gz KQNWGJSRQGGADX-AUUYWEPGSA-N 1 0 358.461 2.898 20 10 FFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841152848 1030077372 /nfs/dbraw/zinc/07/73/72/1030077372.db2.gz VVAGDZMKIDLHAE-QGZVFWFLSA-N 1 0 351.410 2.909 20 10 FFCDRO Nc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000841301577 1030172190 /nfs/dbraw/zinc/17/21/90/1030172190.db2.gz VGIBXTNBYVGCIC-UHFFFAOYSA-N 1 0 367.497 2.993 20 10 FFCDRO O=C1NCC2(CC[NH+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)O1 ZINC000783721846 1030251283 /nfs/dbraw/zinc/25/12/83/1030251283.db2.gz QVTSFXRPZPRHTA-UHFFFAOYSA-N 1 0 374.441 2.660 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000841798178 1030471257 /nfs/dbraw/zinc/47/12/57/1030471257.db2.gz GIZCGGKHPJMSJF-XYJFISCASA-N 1 0 362.493 2.941 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841832750 1030493989 /nfs/dbraw/zinc/49/39/89/1030493989.db2.gz RQMHDQJXFYFRID-OALUTQOASA-N 1 0 354.498 2.594 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001142513161 1030562021 /nfs/dbraw/zinc/56/20/21/1030562021.db2.gz ZRTMKNADYWHMRF-IBGZPJMESA-N 1 0 360.408 2.953 20 10 FFCDRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142517101 1030567350 /nfs/dbraw/zinc/56/73/50/1030567350.db2.gz AIHGMKHUIGUTQE-UHFFFAOYSA-N 1 0 362.424 2.612 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841998237 1030574474 /nfs/dbraw/zinc/57/44/74/1030574474.db2.gz QMWQLUWWQDUHRJ-FQEVSTJZSA-N 1 0 365.477 2.957 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001203552760 1030763004 /nfs/dbraw/zinc/76/30/04/1030763004.db2.gz SFKKBGLUKGLJIP-UHFFFAOYSA-N 1 0 350.422 2.969 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001203552900 1030765087 /nfs/dbraw/zinc/76/50/87/1030765087.db2.gz VAQUGCZPSGTRCO-PZJWPPBQSA-N 1 0 361.482 2.959 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1ccc2c(c1)OCO2 ZINC001203556659 1030765732 /nfs/dbraw/zinc/76/57/32/1030765732.db2.gz SMVWNCXENOFGKL-NRFANRHFSA-N 1 0 366.417 2.750 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c1O ZINC001203591319 1030775658 /nfs/dbraw/zinc/77/56/58/1030775658.db2.gz HDYKZVTTWUYVGB-MRXNPFEDSA-N 1 0 357.454 2.673 20 10 FFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC001203601951 1030779888 /nfs/dbraw/zinc/77/98/88/1030779888.db2.gz SKNRBGOKDHAQQG-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c1O ZINC001203610028 1030786445 /nfs/dbraw/zinc/78/64/45/1030786445.db2.gz SAEXQEUOSUXBTE-HOCLYGCPSA-N 1 0 358.463 2.947 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001203623852 1030791871 /nfs/dbraw/zinc/79/18/71/1030791871.db2.gz XIKNEQPPQXOCGU-FXAWDEMLSA-N 1 0 372.440 2.877 20 10 FFCDRO COc1ccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c(O)c1 ZINC001203623447 1030793103 /nfs/dbraw/zinc/79/31/03/1030793103.db2.gz QYNDFJOUWRPFJR-UHFFFAOYSA-N 1 0 354.450 2.573 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001203656724 1030807120 /nfs/dbraw/zinc/80/71/20/1030807120.db2.gz WEAMRLRJYXXKRB-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001203657250 1030807398 /nfs/dbraw/zinc/80/73/98/1030807398.db2.gz AUWSEDMYQVMOMJ-UHFFFAOYSA-N 1 0 352.862 2.507 20 10 FFCDRO O=c1c2ccccc2nnn1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203664743 1030811752 /nfs/dbraw/zinc/81/17/52/1030811752.db2.gz UAFHBEVEQNYDLT-UHFFFAOYSA-N 1 0 370.840 2.988 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC12COC2 ZINC001203665225 1030811990 /nfs/dbraw/zinc/81/19/90/1030811990.db2.gz CNMJNQSECYGHGD-HNNXBMFYSA-N 1 0 368.861 2.771 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664833 1030813057 /nfs/dbraw/zinc/81/30/57/1030813057.db2.gz YDYWSHIRQFQDNC-UONOGXRCSA-N 1 0 356.850 2.506 20 10 FFCDRO COc1ccc(O)c(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1 ZINC001203672738 1030816616 /nfs/dbraw/zinc/81/66/16/1030816616.db2.gz CSUPCLTWKUBPJB-HOTGVXAUSA-N 1 0 358.463 2.666 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001203671279 1030817618 /nfs/dbraw/zinc/81/76/18/1030817618.db2.gz MDDLMXIBEWEQFQ-ICSRJNTNSA-N 1 0 356.422 2.608 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1O ZINC001203877913 1030953592 /nfs/dbraw/zinc/95/35/92/1030953592.db2.gz ZNDXAIINVQNLEP-UXHICEINSA-N 1 0 368.477 2.616 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203879454 1030955608 /nfs/dbraw/zinc/95/56/08/1030955608.db2.gz QWOQSGCZRVJMLK-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)cc1 ZINC001203934484 1030995595 /nfs/dbraw/zinc/99/55/95/1030995595.db2.gz ZRRVQVTVCLSOGG-SFHVURJKSA-N 1 0 371.525 2.792 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203945998 1031003182 /nfs/dbraw/zinc/00/31/82/1031003182.db2.gz RAMBDQZMNJDKTP-HXUWFJFHSA-N 1 0 361.530 2.992 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccc(OC)c(F)c1 ZINC000842879519 1031011937 /nfs/dbraw/zinc/01/19/37/1031011937.db2.gz JAQGKOIPBMEQDK-WBVHZDCISA-N 1 0 372.440 2.722 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c(O)c1 ZINC001204273531 1031199583 /nfs/dbraw/zinc/19/95/83/1031199583.db2.gz QYXJWYFTVDQMFJ-UHFFFAOYSA-N 1 0 358.438 2.558 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC001204339026 1031234165 /nfs/dbraw/zinc/23/41/65/1031234165.db2.gz QUAFWISBZOOGRH-UHFFFAOYSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(CN2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204342904 1031238398 /nfs/dbraw/zinc/23/83/98/1031238398.db2.gz OHRRYAJFXUYBOQ-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc(O)c1O ZINC001204342059 1031238760 /nfs/dbraw/zinc/23/87/60/1031238760.db2.gz IWRXPWGBAYKWEE-LJQANCHMSA-N 1 0 374.462 2.797 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204344913 1031240361 /nfs/dbraw/zinc/24/03/61/1031240361.db2.gz LGYPQIVVWJDTOC-CYBMUJFWSA-N 1 0 352.431 2.548 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798108651 1031309758 /nfs/dbraw/zinc/30/97/58/1031309758.db2.gz CEYUTBWIRXDDBY-QGZVFWFLSA-N 1 0 361.486 2.997 20 10 FFCDRO CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843349825 1031340729 /nfs/dbraw/zinc/34/07/29/1031340729.db2.gz FFSPNCPEUFEDQQ-UHFFFAOYSA-N 1 0 369.465 2.902 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843365159 1031356303 /nfs/dbraw/zinc/35/63/03/1031356303.db2.gz DCLWPDYFUJBXAR-HOCLYGCPSA-N 1 0 369.465 2.675 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(CN3CC(C)([NH3+])C3)c2)nc1C ZINC001204986058 1031480351 /nfs/dbraw/zinc/48/03/51/1031480351.db2.gz QPCDTLYYCUAHFQ-UHFFFAOYSA-N 1 0 361.467 2.534 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1 ZINC001205527604 1031810900 /nfs/dbraw/zinc/81/09/00/1031810900.db2.gz YIRSCLNWLLINGB-UHFFFAOYSA-N 1 0 366.527 2.906 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cnoc4)C3)C2)cc1 ZINC001205683623 1031933812 /nfs/dbraw/zinc/93/38/12/1031933812.db2.gz CQEZOHSDIHHXAU-FQEVSTJZSA-N 1 0 357.454 2.802 20 10 FFCDRO C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000799980220 1031941392 /nfs/dbraw/zinc/94/13/92/1031941392.db2.gz MWDOUYGPMBWVQP-LZJOCLMNSA-N 1 0 371.525 2.648 20 10 FFCDRO COc1cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205786838 1031993294 /nfs/dbraw/zinc/99/32/94/1031993294.db2.gz BTFCQLGSMIHMTH-SNVBAGLBSA-N 1 0 365.218 2.579 20 10 FFCDRO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc2c(c1)OC(F)(F)O2 ZINC001219119569 1033523223 /nfs/dbraw/zinc/52/32/23/1033523223.db2.gz CTBMDJQHLJTEHV-UHFFFAOYSA-N 1 0 361.348 2.670 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[NH2+]CC[C@@H]3O)cc2)cc1 ZINC001219203792 1033554313 /nfs/dbraw/zinc/55/43/13/1033554313.db2.gz OAOVYFKIFWTAAD-IEOLRMJASA-N 1 0 365.477 2.832 20 10 FFCDRO COc1cccc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1O ZINC000830540042 1033662033 /nfs/dbraw/zinc/66/20/33/1033662033.db2.gz DITZNQFNGVAILY-GOSISDBHSA-N 1 0 354.450 2.897 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CC[NH2+]C[C@@H]3F)cc2)cc1 ZINC001219492914 1033668119 /nfs/dbraw/zinc/66/81/19/1033668119.db2.gz GDJHXNJICOBAKO-SJORKVTESA-N 1 0 371.416 2.799 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)cc2)CC1 ZINC000830822337 1033800819 /nfs/dbraw/zinc/80/08/19/1033800819.db2.gz GJOWXZVAOVIURB-CZTZKLFOSA-N 1 0 374.525 2.664 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000831132540 1033959754 /nfs/dbraw/zinc/95/97/54/1033959754.db2.gz DDYIBRAGIYAULJ-HXUWFJFHSA-N 1 0 352.482 2.829 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc(N4CCCCC4)cc2)C3)n1 ZINC001138217058 1033967981 /nfs/dbraw/zinc/96/79/81/1033967981.db2.gz VQFXYUBCMUFXDD-WIYYLYMNSA-N 1 0 368.481 2.768 20 10 FFCDRO Cc1c(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c2ccccc2n1C ZINC001138254220 1034025037 /nfs/dbraw/zinc/02/50/37/1034025037.db2.gz UDXFNHAPSJWHHB-KRWDZBQOSA-N 1 0 351.498 2.877 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259946 1034030821 /nfs/dbraw/zinc/03/08/21/1034030821.db2.gz SJAYDFUMBOZSAH-KRWDZBQOSA-N 1 0 357.498 2.946 20 10 FFCDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000831352886 1034048316 /nfs/dbraw/zinc/04/83/16/1034048316.db2.gz FEHCPKDJQPLGRR-RTBURBONSA-N 1 0 361.530 2.893 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCC[N@@H+]3CCCC(C)(C)C3)ccc21 ZINC001225138383 1034142843 /nfs/dbraw/zinc/14/28/43/1034142843.db2.gz HRJIGQOSMDLATF-UHFFFAOYSA-N 1 0 358.530 2.990 20 10 FFCDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(O)c2O)CCOCC1 ZINC000831599680 1034149768 /nfs/dbraw/zinc/14/97/68/1034149768.db2.gz LAKIXHKYKYRLRB-UHFFFAOYSA-N 1 0 370.449 2.509 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339173 1034170051 /nfs/dbraw/zinc/17/00/51/1034170051.db2.gz BACSDEIGCJJRDC-WMLDXEAASA-N 1 0 358.482 2.722 20 10 FFCDRO CC(C)(C(N)=O)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340675 1034171073 /nfs/dbraw/zinc/17/10/73/1034171073.db2.gz YYNAITAHALGODX-UHFFFAOYSA-N 1 0 371.525 2.815 20 10 FFCDRO CCN(C(C)=O)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138341084 1034172609 /nfs/dbraw/zinc/17/26/09/1034172609.db2.gz DGMKLGYFOUIUFN-UHFFFAOYSA-N 1 0 371.525 2.924 20 10 FFCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC001220470452 1034198740 /nfs/dbraw/zinc/19/87/40/1034198740.db2.gz DQFWZRHUIUJTRK-OAHLLOKOSA-N 1 0 358.408 2.579 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c(OC)c1 ZINC001138388943 1034225365 /nfs/dbraw/zinc/22/53/65/1034225365.db2.gz BSWVWGKPRKZMRD-UHFFFAOYSA-N 1 0 374.573 2.755 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748480 1034255897 /nfs/dbraw/zinc/25/58/97/1034255897.db2.gz DDZBFYDUIZLPNZ-LZJOCLMNSA-N 1 0 367.493 2.974 20 10 FFCDRO CCc1noc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC001138499558 1034340663 /nfs/dbraw/zinc/34/06/63/1034340663.db2.gz QWDUUVJRNGHDBZ-UHFFFAOYSA-N 1 0 356.470 2.848 20 10 FFCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676390 1034537773 /nfs/dbraw/zinc/53/77/73/1034537773.db2.gz HRVQQOOWASFBOH-OAHLLOKOSA-N 1 0 369.303 2.754 20 10 FFCDRO FC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(Br)c3)C[C@H]12 ZINC001138680552 1034539780 /nfs/dbraw/zinc/53/97/80/1034539780.db2.gz PPJIYZVDERGRJX-QKDCVEJESA-N 1 0 369.278 2.933 20 10 FFCDRO CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265925 1034686988 /nfs/dbraw/zinc/68/69/88/1034686988.db2.gz BXJFROQEZMWWIN-MSOLQXFVSA-N 1 0 359.445 2.865 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000832266406 1034688445 /nfs/dbraw/zinc/68/84/45/1034688445.db2.gz FPNKEGOKUSRFTH-QGZVFWFLSA-N 1 0 371.485 2.542 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000832273725 1034694426 /nfs/dbraw/zinc/69/44/26/1034694426.db2.gz PLKNITOXNSQUFG-PMACEKPBSA-N 1 0 353.466 2.573 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465159 1034696352 /nfs/dbraw/zinc/69/63/52/1034696352.db2.gz PUDLPIFWTHEJBN-AAEUAGOBSA-N 1 0 361.394 2.504 20 10 FFCDRO Cc1nc(-c2c[nH]c(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)c2)cs1 ZINC000832281039 1034699222 /nfs/dbraw/zinc/69/92/22/1034699222.db2.gz RGAJKVFFGXZEOD-INIZCTEOSA-N 1 0 369.494 2.942 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000832292964 1034705034 /nfs/dbraw/zinc/70/50/34/1034705034.db2.gz OAYBCTYJEBIJAB-QGZVFWFLSA-N 1 0 363.408 2.713 20 10 FFCDRO COc1cccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1OC ZINC000832292921 1034706322 /nfs/dbraw/zinc/70/63/22/1034706322.db2.gz NHKRWTYOSMOPSC-SFHVURJKSA-N 1 0 371.481 2.519 20 10 FFCDRO CN(C)c1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832292952 1034706455 /nfs/dbraw/zinc/70/64/55/1034706455.db2.gz NXCNKVHLCSCYKG-HXUWFJFHSA-N 1 0 354.498 2.567 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(N3CCN(C)CC3)s2)cc1 ZINC001139325588 1035059047 /nfs/dbraw/zinc/05/90/47/1035059047.db2.gz SZDUMXSHNMJIQF-UHFFFAOYSA-N 1 0 359.543 2.593 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)c(C)c1 ZINC001139335716 1035064340 /nfs/dbraw/zinc/06/43/40/1035064340.db2.gz OTLLTPBHHKSANS-UHFFFAOYSA-N 1 0 363.465 2.907 20 10 FFCDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)nc1 ZINC001140102220 1035342949 /nfs/dbraw/zinc/34/29/49/1035342949.db2.gz MEENWPFXNQICQX-GFCCVEGCSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1cccc(C(=O)N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)c1 ZINC001140184650 1035371991 /nfs/dbraw/zinc/37/19/91/1035371991.db2.gz CVWYCIJTWNLGFS-UHFFFAOYSA-N 1 0 354.450 2.976 20 10 FFCDRO O=C(c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1)N1CCOCC1 ZINC000834537240 1035405017 /nfs/dbraw/zinc/40/50/17/1035405017.db2.gz AYPHZWKTCBFIFT-SFHVURJKSA-N 1 0 352.434 2.642 20 10 FFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140287469 1035419471 /nfs/dbraw/zinc/41/94/71/1035419471.db2.gz USWJXZQFRZEOBK-UHFFFAOYSA-N 1 0 373.541 2.871 20 10 FFCDRO CCO[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)[C@@H]2CCCO[C@H]12 ZINC001140303471 1035425577 /nfs/dbraw/zinc/42/55/77/1035425577.db2.gz MXXAGPTUCQVNML-VSKRKVRLSA-N 1 0 373.541 2.597 20 10 FFCDRO CC(C)N(C)Cc1nnc2n1CCCN(Cc1c(O)cccc1Cl)C2 ZINC001140343943 1035446109 /nfs/dbraw/zinc/44/61/09/1035446109.db2.gz ALGMKWOEVSMPGK-UHFFFAOYSA-N 1 0 363.893 2.883 20 10 FFCDRO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465734 1035485357 /nfs/dbraw/zinc/48/53/57/1035485357.db2.gz SKFJRVWDACHMPE-IBGZPJMESA-N 1 0 372.856 2.855 20 10 FFCDRO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001277204346 1035525496 /nfs/dbraw/zinc/52/54/96/1035525496.db2.gz HLMWUJLRLKQWBI-SFHVURJKSA-N 1 0 360.498 2.764 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001277204832 1035530191 /nfs/dbraw/zinc/53/01/91/1035530191.db2.gz YMSBGSNNTQCPNX-IERDGZPVSA-N 1 0 358.482 2.944 20 10 FFCDRO C[N@H+](C1CCOCC1)C1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232262251 1035533983 /nfs/dbraw/zinc/53/39/83/1035533983.db2.gz DCMKLEYFBGRQJN-UHFFFAOYSA-N 1 0 354.878 2.826 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)OCC1=O ZINC001277211756 1035566348 /nfs/dbraw/zinc/56/63/48/1035566348.db2.gz ABTUPYQFPXCMSZ-AUUYWEPGSA-N 1 0 366.889 2.956 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232406098 1035653429 /nfs/dbraw/zinc/65/34/29/1035653429.db2.gz UKPLITXRRXJXIL-CQSZACIVSA-N 1 0 358.438 2.740 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1 ZINC001140620268 1035745626 /nfs/dbraw/zinc/74/56/26/1035745626.db2.gz IDSROPWFALAGSG-UHFFFAOYSA-N 1 0 353.466 2.967 20 10 FFCDRO CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140620380 1035746664 /nfs/dbraw/zinc/74/66/64/1035746664.db2.gz MDPVMKDHRNOWHV-GOSISDBHSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)o1 ZINC001140664606 1035818458 /nfs/dbraw/zinc/81/84/58/1035818458.db2.gz NDYGRVLFZJCTMZ-INIZCTEOSA-N 1 0 360.433 2.733 20 10 FFCDRO CN(C)c1ccc(O[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)cc1 ZINC001227939909 1035821410 /nfs/dbraw/zinc/82/14/10/1035821410.db2.gz FUIXRMAEIWHUAP-WMZOPIPTSA-N 1 0 361.486 2.825 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228114635 1035941859 /nfs/dbraw/zinc/94/18/59/1035941859.db2.gz JATRSBZFNYJVTM-OAHLLOKOSA-N 1 0 357.406 2.896 20 10 FFCDRO COCCOc1cccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140748152 1036048243 /nfs/dbraw/zinc/04/82/43/1036048243.db2.gz SKIJXKWKCAGYDO-UHFFFAOYSA-N 1 0 372.465 2.754 20 10 FFCDRO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140750153 1036052819 /nfs/dbraw/zinc/05/28/19/1036052819.db2.gz WNXUBGSOALWXAO-UHFFFAOYSA-N 1 0 370.449 2.809 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2c1cnn2CC ZINC001232839953 1036093978 /nfs/dbraw/zinc/09/39/78/1036093978.db2.gz ZJUZAYSSNRTBKZ-INIZCTEOSA-N 1 0 358.486 2.811 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c(O)c1 ZINC001232838075 1036094634 /nfs/dbraw/zinc/09/46/34/1036094634.db2.gz PERZIXUWTDQGKX-GOSISDBHSA-N 1 0 357.498 2.729 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c(O)c1 ZINC001232838074 1036094690 /nfs/dbraw/zinc/09/46/90/1036094690.db2.gz GDGYCYRMYFQGSJ-QGZVFWFLSA-N 1 0 370.497 2.730 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001232841625 1036096795 /nfs/dbraw/zinc/09/67/95/1036096795.db2.gz MVZNZNUAGZQCTR-LJQANCHMSA-N 1 0 369.465 2.601 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(O)c1 ZINC001232841326 1036097135 /nfs/dbraw/zinc/09/71/35/1036097135.db2.gz CNGROIDCGKEBNN-UHFFFAOYSA-N 1 0 357.498 2.683 20 10 FFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(I)cc3O)[C@@H]2C1 ZINC001232978229 1036212056 /nfs/dbraw/zinc/21/20/56/1036212056.db2.gz CUAYZPXEJBGJFS-BXUZGUMPSA-N 1 0 372.250 2.523 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cc(O)c(O)c(O)c4)C[C@H]3C2)cc1 ZINC001233013687 1036249103 /nfs/dbraw/zinc/24/91/03/1036249103.db2.gz ZSGAALLNCNTFKL-HDICACEKSA-N 1 0 354.450 2.676 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c(O)c1 ZINC001140852898 1036287334 /nfs/dbraw/zinc/28/73/34/1036287334.db2.gz DDNDHJLSUCVFPD-NRFANRHFSA-N 1 0 367.497 2.883 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)c2ccccc2n1C ZINC001233272484 1036480303 /nfs/dbraw/zinc/48/03/03/1036480303.db2.gz NBZBWEYOYKYBNY-HUUCEWRRSA-N 1 0 372.465 2.986 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c2ccccc2n1C ZINC001233273777 1036480959 /nfs/dbraw/zinc/48/09/59/1036480959.db2.gz RLXZOYHBPPJOKR-ZFWWWQNUSA-N 1 0 358.438 2.596 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)nc1 ZINC001233291040 1036495244 /nfs/dbraw/zinc/49/52/44/1036495244.db2.gz ILVHYULJFMGJNV-CYBMUJFWSA-N 1 0 365.817 2.506 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]2C1 ZINC001233332248 1036537203 /nfs/dbraw/zinc/53/72/03/1036537203.db2.gz DYOKDBZVJGPOQT-TXEJJXNPSA-N 1 0 354.397 2.969 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)ncn1 ZINC001233455482 1036634199 /nfs/dbraw/zinc/63/41/99/1036634199.db2.gz MNOUZOHQTGBBKU-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233483154 1036650996 /nfs/dbraw/zinc/65/09/96/1036650996.db2.gz PFDVPUNQQWHARE-LJQANCHMSA-N 1 0 364.442 2.779 20 10 FFCDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(O)c(O)cc4O)C3)CC2=O)cc1 ZINC001233485470 1036654050 /nfs/dbraw/zinc/65/40/50/1036654050.db2.gz WUJXTHJUHFVVPD-OAQYLSRUSA-N 1 0 368.433 2.741 20 10 FFCDRO Oc1c(C[NH+]2CCC(N3CCOCC3)CC2)cccc1OC(F)(F)F ZINC001233727307 1036737510 /nfs/dbraw/zinc/73/75/10/1036737510.db2.gz MAOSWQXENUOQAC-UHFFFAOYSA-N 1 0 360.376 2.587 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001141026734 1036761106 /nfs/dbraw/zinc/76/11/06/1036761106.db2.gz AWJMDOIMPIQLDS-UZLBHIALSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(OC)c1 ZINC001141029317 1036770121 /nfs/dbraw/zinc/77/01/21/1036770121.db2.gz PPDDSEYHNPKGPA-INIZCTEOSA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(OC)c1 ZINC001141031590 1036777377 /nfs/dbraw/zinc/77/73/77/1036777377.db2.gz IFCCSAHXGJHUNH-LSDHHAIUSA-N 1 0 367.339 2.637 20 10 FFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C[C@H]1C ZINC001141032610 1036780277 /nfs/dbraw/zinc/78/02/77/1036780277.db2.gz IWQCEFZFRFWJFF-ZIAGYGMSSA-N 1 0 351.443 2.821 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c(OC)c1 ZINC001141034464 1036793921 /nfs/dbraw/zinc/79/39/21/1036793921.db2.gz DXXOXSYONLVICB-UHFFFAOYSA-N 1 0 357.454 2.852 20 10 FFCDRO CC(C)(O)CC[NH+]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078464 1036928413 /nfs/dbraw/zinc/92/84/13/1036928413.db2.gz WTSZMNYYQOBFBB-UHFFFAOYSA-N 1 0 357.542 2.664 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001277835243 1036941801 /nfs/dbraw/zinc/94/18/01/1036941801.db2.gz WMTXXGCSVBJOOY-KRWDZBQOSA-N 1 0 372.387 2.696 20 10 FFCDRO CCO[C@@H]1C[C@H]2CN(Cc3c(O)ccc4ccc(OC)cc43)CC[N@@H+]2C1 ZINC001234544457 1037080350 /nfs/dbraw/zinc/08/03/50/1037080350.db2.gz HMJJROJGSVNYNH-FUHWJXTLSA-N 1 0 356.466 2.849 20 10 FFCDRO COc1ccc(Br)c(CN2CCCC[C@@]23CC[NH2+]C3)c1O ZINC001235115453 1037368040 /nfs/dbraw/zinc/36/80/40/1037368040.db2.gz AQFQHIZHBNMACY-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(CN2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200774 1037406278 /nfs/dbraw/zinc/40/62/78/1037406278.db2.gz PIMHPEJNYXAHSO-JOCHJYFZSA-N 1 0 369.509 2.675 20 10 FFCDRO CCOC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2N1 ZINC001235273538 1037444798 /nfs/dbraw/zinc/44/47/98/1037444798.db2.gz XRAPVPQGCBHILT-NRSPTQNISA-N 1 0 367.493 2.820 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCN2Cc3ccccc3OCC2=O)cc1Cl ZINC001207528057 1037522008 /nfs/dbraw/zinc/52/20/08/1037522008.db2.gz XBNXHDAEHXXQJT-UHFFFAOYSA-N 1 0 360.841 2.865 20 10 FFCDRO C[NH+](C)C[C@H]1COCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC001231470340 1037614109 /nfs/dbraw/zinc/61/41/09/1037614109.db2.gz UZFDCTHDOWYPEH-IBGZPJMESA-N 1 0 356.466 2.734 20 10 FFCDRO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1c(C)cc(OC)cc1O ZINC001207752970 1037694961 /nfs/dbraw/zinc/69/49/61/1037694961.db2.gz LWTXMFYPVKNVHD-UHFFFAOYSA-N 1 0 353.459 2.889 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c1O ZINC001231593660 1037713961 /nfs/dbraw/zinc/71/39/61/1037713961.db2.gz SXRHZMDUQJLGET-ZHALLVOQSA-N 1 0 355.438 2.549 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)cc1O ZINC001231633397 1037751699 /nfs/dbraw/zinc/75/16/99/1037751699.db2.gz NUFKMYPOUZYFKP-GASCZTMLSA-N 1 0 360.479 2.732 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231634332 1037756103 /nfs/dbraw/zinc/75/61/03/1037756103.db2.gz GLHAKNXCGSJEAB-IFXJQAMLSA-N 1 0 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CC(C)N(C)C(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231909539 1038000239 /nfs/dbraw/zinc/00/02/39/1038000239.db2.gz CBHJPDIJOJCJQS-GOSISDBHSA-N 1 0 365.861 2.633 20 10 FFCDRO CO[C@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(F)(F)F ZINC001255582428 1038028888 /nfs/dbraw/zinc/02/88/88/1038028888.db2.gz XLEKNKCIVRCGPP-MRXNPFEDSA-N 1 0 363.399 2.635 20 10 FFCDRO CCOc1ccc(N2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC001236432662 1038087379 /nfs/dbraw/zinc/08/73/79/1038087379.db2.gz CRGHOJKBMTXELK-FQEVSTJZSA-N 1 0 351.494 2.922 20 10 FFCDRO COc1cc(CN2CCC(F)(F)[C@H](CO)C2)c(O)cc1Br ZINC001236748683 1038233141 /nfs/dbraw/zinc/23/31/41/1038233141.db2.gz UPHNLUFNLOXHEK-JTQLQIEISA-N 1 0 366.202 2.613 20 10 FFCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(OC)c(Br)cc1O ZINC001236748714 1038233388 /nfs/dbraw/zinc/23/33/88/1038233388.db2.gz VITUSGRSXJMNHZ-UHFFFAOYSA-N 1 0 360.248 2.938 20 10 FFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236751101 1038237571 /nfs/dbraw/zinc/23/75/71/1038237571.db2.gz NWRFRRMOWFHWCS-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)cc1OC ZINC001236757602 1038245448 /nfs/dbraw/zinc/24/54/48/1038245448.db2.gz MVQIGUSXWACIIU-GOSISDBHSA-N 1 0 354.450 2.824 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c(O)c1 ZINC001236786618 1038268612 /nfs/dbraw/zinc/26/86/12/1038268612.db2.gz FSXRMXZNLWQPFD-RLLQIKCJSA-N 1 0 358.482 2.699 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c(O)c1 ZINC001236790307 1038271643 /nfs/dbraw/zinc/27/16/43/1038271643.db2.gz VOTQPONZOJQTQY-REPLKXPHSA-N 1 0 354.450 2.932 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236805390 1038280389 /nfs/dbraw/zinc/28/03/89/1038280389.db2.gz FIFWIYWNQNEOEM-CYBMUJFWSA-N 1 0 370.877 2.514 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc4ccccc4cc3O)C2)nc1 ZINC001236835175 1038296889 /nfs/dbraw/zinc/29/68/89/1038296889.db2.gz KCGDBLQQBVAFGP-QGZVFWFLSA-N 1 0 351.406 2.997 20 10 FFCDRO C[N@H+](CCF)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236848883 1038306264 /nfs/dbraw/zinc/30/62/64/1038306264.db2.gz QTMTXNAQZCTQEU-UHFFFAOYSA-N 1 0 354.422 2.923 20 10 FFCDRO CCCCN1CC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278042579 1038408976 /nfs/dbraw/zinc/40/89/76/1038408976.db2.gz BJCCRSHTVGBVGV-FQEVSTJZSA-N 1 0 362.470 2.808 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278042790 1038410579 /nfs/dbraw/zinc/41/05/79/1038410579.db2.gz IOASDBXAYLYAOV-VBKZILBWSA-N 1 0 362.470 2.807 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(C(C)C)cc3O)C2)C1=O ZINC001237047941 1038421161 /nfs/dbraw/zinc/42/11/61/1038421161.db2.gz GJKJNKKNPQLLKC-NRFANRHFSA-N 1 0 360.498 2.977 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(Oc3nc(C)cc(OC)n3)CC2)c(O)c1 ZINC001237048881 1038424342 /nfs/dbraw/zinc/42/43/42/1038424342.db2.gz ZBJOGVKDHZXKQU-UHFFFAOYSA-N 1 0 373.453 2.941 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001237057409 1038426718 /nfs/dbraw/zinc/42/67/18/1038426718.db2.gz SJTLVZZSMRHZIC-MRXNPFEDSA-N 1 0 374.403 2.630 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC001237059704 1038428711 /nfs/dbraw/zinc/42/87/11/1038428711.db2.gz NNCXNXUTFQXSDZ-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2Br)CC12CC2 ZINC001237068447 1038432968 /nfs/dbraw/zinc/43/29/68/1038432968.db2.gz PJESAWKDQDGSJV-LBPRGKRZSA-N 1 0 370.243 2.548 20 10 FFCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001237140852 1038453735 /nfs/dbraw/zinc/45/37/35/1038453735.db2.gz PJWRTKOVBFVCJW-UHFFFAOYSA-N 1 0 352.360 2.913 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001256455771 1038520185 /nfs/dbraw/zinc/52/01/85/1038520185.db2.gz GZRUTFPLCWZQOE-OCCSQVGLSA-N 1 0 364.442 2.658 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccc[nH]2)c1 ZINC001278614624 1038814490 /nfs/dbraw/zinc/81/44/90/1038814490.db2.gz BOFKVQQMTMQRQN-OALUTQOASA-N 1 0 353.466 2.837 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001257644482 1038911162 /nfs/dbraw/zinc/91/11/62/1038911162.db2.gz VSXXRHGUJXUYSQ-DXCKQFNASA-N 1 0 366.458 2.509 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c3c(ccc2F)OCO3)[NH+](C)C)cc1 ZINC001537484468 1070192832 /nfs/dbraw/zinc/19/28/32/1070192832.db2.gz VXOOFUVNWYXYOX-INIZCTEOSA-N 1 0 373.428 2.653 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)c(C)c1 ZINC001251706212 1039262194 /nfs/dbraw/zinc/26/21/94/1039262194.db2.gz CMRBRAXWGWOBEJ-IBGZPJMESA-N 1 0 370.493 2.874 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC4(CC4)C3)cc2)CC1 ZINC001246381489 1039330539 /nfs/dbraw/zinc/33/05/39/1039330539.db2.gz FUDAZZPBUOONOC-GOSISDBHSA-N 1 0 356.514 2.960 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(F)cc3C)cc2F)CC1 ZINC001537535024 1070203425 /nfs/dbraw/zinc/20/34/25/1070203425.db2.gz LJONIBVNORKODN-UHFFFAOYSA-N 1 0 374.435 2.740 20 10 FFCDRO COC1([C@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001251935018 1039367982 /nfs/dbraw/zinc/36/79/82/1039367982.db2.gz CJBVUKYFSSIEAT-YJBOKZPZSA-N 1 0 362.518 2.612 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC001251992524 1039400738 /nfs/dbraw/zinc/40/07/38/1039400738.db2.gz WFRFWPQIPRQMDS-NRFANRHFSA-N 1 0 356.466 2.567 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(CC4CCOCC4)C3=O)C2)c1O ZINC001276682866 1039502579 /nfs/dbraw/zinc/50/25/79/1039502579.db2.gz BJWSZHHUJWJSHG-NRFANRHFSA-N 1 0 358.482 2.552 20 10 FFCDRO COC(C)(C)CN1CCC2(CC[NH+](Cc3cccc(C)c3O)CC2)C1=O ZINC001276683306 1039516931 /nfs/dbraw/zinc/51/69/31/1039516931.db2.gz JQIQRXUHGRAJDE-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CCN(Cc4cnoc4)C3=O)CC2)c1O ZINC001276683790 1039539810 /nfs/dbraw/zinc/53/98/10/1039539810.db2.gz PKRAXUBVASXYMM-UHFFFAOYSA-N 1 0 355.438 2.703 20 10 FFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)cc1C ZINC001259166887 1039759943 /nfs/dbraw/zinc/75/99/43/1039759943.db2.gz AVXCXOOIAYJFDH-UHFFFAOYSA-N 1 0 359.495 2.856 20 10 FFCDRO CC[NH+](CC)C[C@@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001253175150 1040024674 /nfs/dbraw/zinc/02/46/74/1040024674.db2.gz WHWRRVTWNSFVCM-HNNXBMFYSA-N 1 0 352.434 2.577 20 10 FFCDRO C[N@H+](Cc1ccc(-n2nccn2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001248770777 1040410423 /nfs/dbraw/zinc/41/04/23/1040410423.db2.gz GFJMAUBGGJCMLJ-UHFFFAOYSA-N 1 0 363.465 2.736 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001278746303 1040441915 /nfs/dbraw/zinc/44/19/15/1040441915.db2.gz RQQNVTHWVXPKOK-ZYSHUDEJSA-N 1 0 354.450 2.653 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001254188513 1040605809 /nfs/dbraw/zinc/60/58/09/1040605809.db2.gz MGUJXFZJMWMMIU-CQSZACIVSA-N 1 0 366.458 2.725 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CC3(CCN3Cc3ccccc3)C2)c(O)c1 ZINC001249201021 1040624074 /nfs/dbraw/zinc/62/40/74/1040624074.db2.gz BHBAULVFKXJBQG-UHFFFAOYSA-N 1 0 366.461 2.568 20 10 FFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)CC[N@@H+]2C1 ZINC001249237951 1040644143 /nfs/dbraw/zinc/64/41/43/1040644143.db2.gz STUBLQWCMDYDCZ-DLBZAZTESA-N 1 0 358.482 2.871 20 10 FFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)CC2)n1 ZINC001249258542 1040654712 /nfs/dbraw/zinc/65/47/12/1040654712.db2.gz JWGYZKSZURIRMO-UHFFFAOYSA-N 1 0 366.465 2.997 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOC(C)(C)C2)c(O)c1 ZINC001249725560 1040964835 /nfs/dbraw/zinc/96/48/35/1040964835.db2.gz QBQHLMRKRMPRRU-UHFFFAOYSA-N 1 0 351.443 2.725 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001249735399 1040970369 /nfs/dbraw/zinc/97/03/69/1040970369.db2.gz MQEIJJWZGDRULI-HXUWFJFHSA-N 1 0 363.454 2.869 20 10 FFCDRO Cc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)cc1Br ZINC001250128983 1041124530 /nfs/dbraw/zinc/12/45/30/1041124530.db2.gz SNHZSDCHGITKOG-OAHLLOKOSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3(OC)CCC3)C[C@H]2C)cc1C ZINC001214533649 1041472116 /nfs/dbraw/zinc/47/21/16/1041472116.db2.gz QFSPKZHUFRHWQQ-SJLPKXTDSA-N 1 0 360.498 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCOCC(F)F)C[C@H]2C)cc1C ZINC001214650711 1041519078 /nfs/dbraw/zinc/51/90/78/1041519078.db2.gz YAZAUANIWWPSAN-GDBMZVCRSA-N 1 0 370.440 2.612 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001216894749 1042158138 /nfs/dbraw/zinc/15/81/38/1042158138.db2.gz YPOIQPPQKGIHMP-ZWNOBZJWSA-N 1 0 371.363 2.852 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])ccc21 ZINC001263257184 1042202745 /nfs/dbraw/zinc/20/27/45/1042202745.db2.gz OEZMLMJUCWMZAY-LAUBAEHRSA-N 1 0 355.482 2.858 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C(=O)C(C)(C)C)C2)cc1C ZINC001264454580 1042678583 /nfs/dbraw/zinc/67/85/83/1042678583.db2.gz DPCOCUGACUCIIV-DLBZAZTESA-N 1 0 360.498 2.993 20 10 FFCDRO CC(C)(C)c1cccc(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)c1O ZINC001279128492 1042910833 /nfs/dbraw/zinc/91/08/33/1042910833.db2.gz PFDDDQATQTZKIZ-UHFFFAOYSA-N 1 0 354.498 2.704 20 10 FFCDRO CC(C)NC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001279142024 1042915955 /nfs/dbraw/zinc/91/59/55/1042915955.db2.gz MLHYMARWQHSDNB-HXUWFJFHSA-N 1 0 361.486 2.894 20 10 FFCDRO CCn1ccnc1CN1CC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001279197206 1042941981 /nfs/dbraw/zinc/94/19/81/1042941981.db2.gz NCZZIBGIHCIJNF-UHFFFAOYSA-N 1 0 358.461 2.846 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001279221752 1042951544 /nfs/dbraw/zinc/95/15/44/1042951544.db2.gz YKAFPYZTFBQTLJ-SCTDSRPQSA-N 1 0 354.450 2.795 20 10 FFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(C)ccc(C)c2O)n(C)n1 ZINC001279234683 1042958651 /nfs/dbraw/zinc/95/86/51/1042958651.db2.gz HFVVHJGWSSJYNU-HDICACEKSA-N 1 0 354.498 2.900 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001279293292 1042987552 /nfs/dbraw/zinc/98/75/52/1042987552.db2.gz HEPBGFNNFXEFES-HDICACEKSA-N 1 0 356.466 2.815 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)Nc4cccnc4)C[C@H]32)c(O)c1 ZINC001279337395 1043010143 /nfs/dbraw/zinc/01/01/43/1043010143.db2.gz AABXGSSIZXMXAU-MAUKXSAKSA-N 1 0 352.438 2.834 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NC(C)C ZINC001279430464 1043105336 /nfs/dbraw/zinc/10/53/36/1043105336.db2.gz HJHYDGFSEQACCR-ROUUACIJSA-N 1 0 360.502 2.528 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NCC(F)(F)F)c(O)c1 ZINC001279432584 1043106516 /nfs/dbraw/zinc/10/65/16/1043106516.db2.gz LPMDJSROTRPSLB-GJZGRUSLSA-N 1 0 371.403 2.930 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N(C)C)cc2)c1 ZINC001237434269 1043159759 /nfs/dbraw/zinc/15/97/59/1043159759.db2.gz BWZWIJVDGBXOMD-FQEVSTJZSA-N 1 0 353.466 2.686 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(O)ccc(F)c2F)c1 ZINC001237453991 1043175456 /nfs/dbraw/zinc/17/54/56/1043175456.db2.gz UOCXWIIVSXLREU-MRXNPFEDSA-N 1 0 362.376 2.604 20 10 FFCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279491030 1043178393 /nfs/dbraw/zinc/17/83/93/1043178393.db2.gz UBRCMKLVSXZOKZ-GASCZTMLSA-N 1 0 362.424 2.738 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OC[C@@H](C(=O)N3CCCC3)C[C@H]2C1 ZINC001237485307 1043198947 /nfs/dbraw/zinc/19/89/47/1043198947.db2.gz GMCXSQSCPNEWJW-ABSDTBQOSA-N 1 0 358.482 2.550 20 10 FFCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237668241 1043300053 /nfs/dbraw/zinc/30/00/53/1043300053.db2.gz AWKNJDJDSJLFGE-LJQANCHMSA-N 1 0 351.443 2.965 20 10 FFCDRO CCC[N@H+](Cc1cc(OC)cc(OC)c1O)C1CCN(C(C)=O)CC1 ZINC001237675676 1043304130 /nfs/dbraw/zinc/30/41/30/1043304130.db2.gz CMPRZQOHHWHWPN-UHFFFAOYSA-N 1 0 350.459 2.632 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)c1O ZINC001237683419 1043309784 /nfs/dbraw/zinc/30/97/84/1043309784.db2.gz HAPVQZADBBNIJN-IXDOHACOSA-N 1 0 366.889 2.669 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1Br ZINC001237682923 1043310154 /nfs/dbraw/zinc/31/01/54/1043310154.db2.gz HKPVIECQNTZQOD-ZIAGYGMSSA-N 1 0 353.260 2.658 20 10 FFCDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(OC)cc(OC)c3O)C2)cc1 ZINC001237684190 1043311019 /nfs/dbraw/zinc/31/10/19/1043311019.db2.gz NQYSVCOSKURISE-UHFFFAOYSA-N 1 0 357.406 2.795 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1O ZINC001279666460 1043432285 /nfs/dbraw/zinc/43/22/85/1043432285.db2.gz HQGVGQBHHZTCIG-BGYRXZFFSA-N 1 0 356.466 2.815 20 10 FFCDRO [O-]c1cc(Cl)c(F)cc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001237936859 1043444485 /nfs/dbraw/zinc/44/44/85/1043444485.db2.gz HEIXKKSFHDLQBB-TZMCWYRMSA-N 1 0 362.836 2.933 20 10 FFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(OC)cc1Br ZINC001279674830 1043445409 /nfs/dbraw/zinc/44/54/09/1043445409.db2.gz OCPQDHHGAMCGKX-YOGCLGLASA-N 1 0 355.276 2.878 20 10 FFCDRO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(F)c1Cl ZINC001279685256 1043465763 /nfs/dbraw/zinc/46/57/63/1043465763.db2.gz XNCHXSFZFQPOEO-AGUYFDCRSA-N 1 0 355.885 2.831 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001279685912 1043467202 /nfs/dbraw/zinc/46/72/02/1043467202.db2.gz JBILLRCNLZEFBL-CJNGLKHVSA-N 1 0 374.403 2.538 20 10 FFCDRO COc1ccc(N2CC3(C2)C[NH+](Cc2ccc(NC(C)=O)cc2)C3)cc1 ZINC001279731836 1043547285 /nfs/dbraw/zinc/54/72/85/1043547285.db2.gz PYHXRVBSUCTCNT-UHFFFAOYSA-N 1 0 351.450 2.976 20 10 FFCDRO CCN(C(=O)[C@@H]1CCSC12C[NH+](Cc1ccc(O)cc1O)C2)C(C)C ZINC001279845063 1043762809 /nfs/dbraw/zinc/76/28/09/1043762809.db2.gz CJDGQFXAFINIJR-INIZCTEOSA-N 1 0 364.511 2.662 20 10 FFCDRO C[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001238623479 1043794936 /nfs/dbraw/zinc/79/49/36/1043794936.db2.gz AUTAQJLTMQGONI-WEUXRJELSA-N 1 0 374.466 2.757 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001279979709 1044026407 /nfs/dbraw/zinc/02/64/07/1044026407.db2.gz FAMVSDAULQKJRO-NQIIRXRSSA-N 1 0 356.466 2.791 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)NCC(F)F)C2)c1 ZINC001279984855 1044038351 /nfs/dbraw/zinc/03/83/51/1044038351.db2.gz RNQHPPYKEWAGEQ-KXBFYZLASA-N 1 0 368.424 2.774 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001280046000 1044132760 /nfs/dbraw/zinc/13/27/60/1044132760.db2.gz FGBNDXOBPDSTSB-GHTZIAJQSA-N 1 0 360.498 2.798 20 10 FFCDRO O=C([C@@H]1CCSC12C[NH+](Cc1cc(O)ccc1O)C2)N1CCCC12CC2 ZINC001280084059 1044184828 /nfs/dbraw/zinc/18/48/28/1044184828.db2.gz TZZGMJYSEQQTPA-INIZCTEOSA-N 1 0 374.506 2.560 20 10 FFCDRO O=c1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccn1Cc1ccc(F)cc1 ZINC001241777479 1044598240 /nfs/dbraw/zinc/59/82/40/1044598240.db2.gz IUYMVQIWRIDPSR-UHFFFAOYSA-N 1 0 352.413 2.824 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NC(C)(C)C)c1O ZINC001280346684 1044635681 /nfs/dbraw/zinc/63/56/81/1044635681.db2.gz PMOCONVTKFPQTH-QGZVFWFLSA-N 1 0 360.498 2.762 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC001318717847 1044834798 /nfs/dbraw/zinc/83/47/98/1044834798.db2.gz NNIOJACVVNCMFA-DBVUQKKJSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Br)ccc1O ZINC001320411497 1045403332 /nfs/dbraw/zinc/40/33/32/1045403332.db2.gz OHOYNZJFQBXZCS-GFCCVEGCSA-N 1 0 357.292 2.510 20 10 FFCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCCC1 ZINC001322418284 1046077017 /nfs/dbraw/zinc/07/70/17/1046077017.db2.gz UGNOVSTZXSVXGG-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4ccncc43)cc2)CC1 ZINC001288334816 1047449449 /nfs/dbraw/zinc/44/94/49/1047449449.db2.gz RBHOEOVMIKYMBE-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1O ZINC001327471324 1047912106 /nfs/dbraw/zinc/91/21/06/1047912106.db2.gz SJNSRLYRLWPSGF-NSPYISDASA-N 1 0 373.840 2.951 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC001328703583 1048427283 /nfs/dbraw/zinc/42/72/83/1048427283.db2.gz OLCTYWZPPSFTOV-UHFFFAOYSA-N 1 0 369.437 2.996 20 10 FFCDRO COc1cc(Cl)cc(CN2CCC([NH2+]C3CCOCC3)CC2)c1O ZINC001332724391 1048528972 /nfs/dbraw/zinc/52/89/72/1048528972.db2.gz KQAJWBLDEFLCFM-UHFFFAOYSA-N 1 0 354.878 2.787 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001308008906 1052382663 /nfs/dbraw/zinc/38/26/63/1052382663.db2.gz KDFIFANJPZVKDZ-SFHVURJKSA-N 1 0 365.518 2.802 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@]34CC[NH2+][C@H]3CCCC4)C2)cc1 ZINC001343721822 1052388529 /nfs/dbraw/zinc/38/85/29/1052388529.db2.gz LHGHTIYIMVOSTR-NBHGPNQESA-N 1 0 357.498 2.560 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccc(F)c3F)CC2)cc1 ZINC001308227419 1052433611 /nfs/dbraw/zinc/43/36/11/1052433611.db2.gz JEGXOTNCVRRGRX-UHFFFAOYSA-N 1 0 361.436 2.885 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001308511909 1052463256 /nfs/dbraw/zinc/46/32/56/1052463256.db2.gz GDBJXMQDYLGZCH-HXUWFJFHSA-N 1 0 362.470 2.737 20 10 FFCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001308527421 1052465269 /nfs/dbraw/zinc/46/52/69/1052465269.db2.gz ZWQHNKCEUNHAOW-MRXNPFEDSA-N 1 0 350.503 2.899 20 10 FFCDRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308882730 1052512394 /nfs/dbraw/zinc/51/23/94/1052512394.db2.gz ADPJKUCFVUSERG-IBGZPJMESA-N 1 0 359.901 2.951 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308954048 1052525996 /nfs/dbraw/zinc/52/59/96/1052525996.db2.gz GJKXTROUFRDZEH-QGZVFWFLSA-N 1 0 356.850 2.507 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)COCc3ccccc3F)C2)cc1 ZINC001335411649 1053344324 /nfs/dbraw/zinc/34/43/24/1053344324.db2.gz ARFDQQXGZQLBTJ-MJGOQNOKSA-N 1 0 374.456 2.580 20 10 FFCDRO COCCOC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001335464661 1053379889 /nfs/dbraw/zinc/37/98/89/1053379889.db2.gz GEALSLGHKRRHGO-HUUCEWRRSA-N 1 0 358.429 2.898 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])CC2)cc1 ZINC001336783701 1054223473 /nfs/dbraw/zinc/22/34/73/1054223473.db2.gz MDGASWUFXXMGHJ-IIBYNOLFSA-N 1 0 372.513 2.577 20 10 FFCDRO Nc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001336975380 1054379089 /nfs/dbraw/zinc/37/90/89/1054379089.db2.gz NWQJJAAGSXJGFY-UHFFFAOYSA-N 1 0 352.482 2.980 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001337798130 1055023332 /nfs/dbraw/zinc/02/33/32/1055023332.db2.gz DKOPWEAQUAXADN-MELADBBJSA-N 1 0 352.500 2.980 20 10 FFCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000849091151 1055636441 /nfs/dbraw/zinc/63/64/41/1055636441.db2.gz VQYRHBMNQQTFMF-IBGZPJMESA-N 1 0 366.465 2.661 20 10 FFCDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001353278589 1056255748 /nfs/dbraw/zinc/25/57/48/1056255748.db2.gz TUMUWEYTWMOUFL-FXAWDEMLSA-N 1 0 374.554 2.653 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001353393673 1056362016 /nfs/dbraw/zinc/36/20/16/1056362016.db2.gz UHYVVJCLQFFETP-APWZRJJASA-N 1 0 352.482 2.979 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847696588 1056385253 /nfs/dbraw/zinc/38/52/53/1056385253.db2.gz RXLWWLJDCRATLC-MAUKXSAKSA-N 1 0 354.450 2.667 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001353531626 1056504625 /nfs/dbraw/zinc/50/46/25/1056504625.db2.gz IZAQROCCFVDJGW-FQEVSTJZSA-N 1 0 352.482 2.727 20 10 FFCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001353668114 1056622036 /nfs/dbraw/zinc/62/20/36/1056622036.db2.gz XGKPNIAUQYWDIG-YRNRMSPPSA-N 1 0 356.466 2.698 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C3(C(=O)[O-])CCC(F)(F)CC3)cc2)CC1 ZINC000849232293 1056804892 /nfs/dbraw/zinc/80/48/92/1056804892.db2.gz VRVSWFIYAXRBOC-UHFFFAOYSA-N 1 0 367.440 2.561 20 10 FFCDRO C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001544871910 1071705240 /nfs/dbraw/zinc/70/52/40/1071705240.db2.gz CSHDNHQQDDSJMG-MRXNPFEDSA-N 1 0 354.450 2.763 20 10 FFCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCO1 ZINC001445883409 1058452922 /nfs/dbraw/zinc/45/29/22/1058452922.db2.gz MXUSBXXQEUQYIK-XCRHUMRWSA-N 1 0 366.889 2.941 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)cc1F ZINC001200662181 1058982635 /nfs/dbraw/zinc/98/26/35/1058982635.db2.gz YOALANALVPWBKU-FQEVSTJZSA-N 1 0 371.500 2.925 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)C2)cc1 ZINC001520258599 1059540340 /nfs/dbraw/zinc/54/03/40/1059540340.db2.gz RUSJWEUZRFSWRQ-SOAMZJECSA-N 1 0 371.525 2.758 20 10 FFCDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000848392898 1059925812 /nfs/dbraw/zinc/92/58/12/1059925812.db2.gz JPYTWIIBSSIAKG-UZLBHIALSA-N 1 0 366.509 2.710 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2F)CC1 ZINC001355302705 1060093506 /nfs/dbraw/zinc/09/35/06/1060093506.db2.gz SRXUZCLSOJZXHH-RXVVDRJESA-N 1 0 361.505 2.872 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000848557827 1060274470 /nfs/dbraw/zinc/27/44/70/1060274470.db2.gz LFOVUDOGNYQOLF-KURKYZTESA-N 1 0 361.530 2.751 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2oc(C3CC3)nc2C(F)F)cc1 ZINC001521144512 1060429075 /nfs/dbraw/zinc/42/90/75/1060429075.db2.gz CRGMHUUPRMPHOE-ZDUSSCGKSA-N 1 0 364.396 2.985 20 10 FFCDRO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001517457467 1060511052 /nfs/dbraw/zinc/51/10/52/1060511052.db2.gz IPGPQOJLHTXLSZ-ZIAGYGMSSA-N 1 0 361.515 2.899 20 10 FFCDRO COc1cc2c(cc1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)OCO2 ZINC001461068749 1061203361 /nfs/dbraw/zinc/20/33/61/1061203361.db2.gz XQYPOYXVPJPYKW-UHFFFAOYSA-N 1 0 374.412 2.689 20 10 FFCDRO COc1ccc(F)cc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001476292660 1061384237 /nfs/dbraw/zinc/38/42/37/1061384237.db2.gz OYFGPGYRRSBTDV-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO C[C@H]1CC[N@H+](CCNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001476768588 1061475689 /nfs/dbraw/zinc/47/56/89/1061475689.db2.gz LSUUQSDCAXZDJD-HNNXBMFYSA-N 1 0 364.453 2.860 20 10 FFCDRO COc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2O)ccc1S(C)(=O)=O ZINC001462671010 1061717465 /nfs/dbraw/zinc/71/74/65/1061717465.db2.gz SGCYOXYAMDWHMK-NSHDSACASA-N 1 0 353.415 2.794 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC001477823158 1061812847 /nfs/dbraw/zinc/81/28/47/1061812847.db2.gz HVSVHSVZCSFUFH-ICSRJNTNSA-N 1 0 356.514 2.768 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccncc3C)cc2F)CC1 ZINC001464943435 1062914421 /nfs/dbraw/zinc/91/44/21/1062914421.db2.gz HQJCPNPQILHUQW-UHFFFAOYSA-N 1 0 370.472 2.530 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](CC)CO1 ZINC001471190220 1064595113 /nfs/dbraw/zinc/59/51/13/1064595113.db2.gz GYRZLGMDMNMJPO-ICSRJNTNSA-N 1 0 374.529 2.537 20 10 FFCDRO CCO[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001471545327 1064711671 /nfs/dbraw/zinc/71/16/71/1064711671.db2.gz QUDNEWSLORDNBQ-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3nc(C4CC4)cs3)cc2)CC1 ZINC001471565112 1064716393 /nfs/dbraw/zinc/71/63/93/1064716393.db2.gz PRRWILJQQCSOON-UHFFFAOYSA-N 1 0 370.522 2.631 20 10 FFCDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472685849 1065128705 /nfs/dbraw/zinc/12/87/05/1065128705.db2.gz SYCRDLUNOSSCEO-UHFFFAOYSA-N 1 0 357.410 2.816 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001474269919 1065482043 /nfs/dbraw/zinc/48/20/43/1065482043.db2.gz PSNWWNUKOJUMAQ-ZDUSSCGKSA-N 1 0 354.219 2.987 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c(O)c1 ZINC001474407205 1065514718 /nfs/dbraw/zinc/51/47/18/1065514718.db2.gz YHLKPTDGSIDDBO-UHFFFAOYSA-N 1 0 366.465 2.675 20 10 FFCDRO CC[C@H](C)c1nnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001577012445 1078294060 /nfs/dbraw/zinc/29/40/60/1078294060.db2.gz SARFGCNTHJIXNG-ZQIUZPCESA-N 1 0 374.508 2.828 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC001578427279 1078472844 /nfs/dbraw/zinc/47/28/44/1078472844.db2.gz OPPDNYQLGAXUIH-OQIWPSSASA-N 1 0 351.450 2.537 20 10 FFCDRO CC(C)C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1ccnc1 ZINC001558722719 1076063490 /nfs/dbraw/zinc/06/34/90/1076063490.db2.gz ACICGQZSODHPDT-PMACEKPBSA-N 1 0 371.529 2.955 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC001560311683 1076262315 /nfs/dbraw/zinc/26/23/15/1076262315.db2.gz FVRSHTQOYVJPJT-UHFFFAOYSA-N 1 0 356.514 2.519 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)ccc1N1CCOCC1 ZINC001560374616 1076269024 /nfs/dbraw/zinc/26/90/24/1076269024.db2.gz LNQIFFAPPLZJRG-UHFFFAOYSA-N 1 0 372.366 2.711 20 10 FFCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000066191392 506444102 /nfs/dbraw/zinc/44/41/02/506444102.db2.gz JGQZJPHTXABYBO-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)C1CCCCC1 ZINC000065943883 506399086 /nfs/dbraw/zinc/39/90/86/506399086.db2.gz NFJOQYAFGICUOR-UHFFFAOYSA-N 1 0 360.454 2.782 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3ccco3)CC2)cc1 ZINC000028064999 507706746 /nfs/dbraw/zinc/70/67/46/507706746.db2.gz DZBYVWJHXKOVAS-UHFFFAOYSA-N 1 0 371.481 2.549 20 10 FFCDRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1 ZINC000092075697 508040698 /nfs/dbraw/zinc/04/06/98/508040698.db2.gz XAMDWESUAWBNKA-OAQYLSRUSA-N 1 0 365.477 2.586 20 10 FFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000093613081 508150141 /nfs/dbraw/zinc/15/01/41/508150141.db2.gz BDGMETXGKCYEMG-JKSUJKDBSA-N 1 0 370.287 2.907 20 10 FFCDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000130732881 508838038 /nfs/dbraw/zinc/83/80/38/508838038.db2.gz OXNWYPNVGWCDEN-IBGZPJMESA-N 1 0 369.513 2.888 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371479145 512426660 /nfs/dbraw/zinc/42/66/60/512426660.db2.gz DKHYGKIIDXXFRU-YYFZDKIDSA-N 1 0 358.486 2.514 20 10 FFCDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000120544203 509018084 /nfs/dbraw/zinc/01/80/84/509018084.db2.gz PXQLWMXOJDVFDZ-CYBMUJFWSA-N 1 0 365.474 2.732 20 10 FFCDRO C[NH+](C)CCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155682957 509051693 /nfs/dbraw/zinc/05/16/93/509051693.db2.gz JOPJCJPROHWHJY-UHFFFAOYSA-N 1 0 356.514 2.936 20 10 FFCDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000152002342 509127382 /nfs/dbraw/zinc/12/73/82/509127382.db2.gz INICQAKZUBFIPX-GOSISDBHSA-N 1 0 372.557 2.928 20 10 FFCDRO CCCOc1ccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c(O)c1 ZINC000121317545 509165829 /nfs/dbraw/zinc/16/58/29/509165829.db2.gz SGNUOOWWVDFDMH-CQSZACIVSA-N 1 0 360.458 2.751 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189061548 509392402 /nfs/dbraw/zinc/39/24/02/509392402.db2.gz LHMRDANWTUHWKF-FZKQIMNGSA-N 1 0 358.413 2.992 20 10 FFCDRO CC(C)C(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000226036612 509395148 /nfs/dbraw/zinc/39/51/48/509395148.db2.gz XGRVDWPYXUDAJQ-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000186141164 509542714 /nfs/dbraw/zinc/54/27/14/509542714.db2.gz SRMYONPZBNSJGT-ZDUSSCGKSA-N 1 0 354.497 2.733 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000237074202 509564636 /nfs/dbraw/zinc/56/46/36/509564636.db2.gz UQGHHJFHFUTJQW-GOSISDBHSA-N 1 0 360.454 2.855 20 10 FFCDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000237089132 509568987 /nfs/dbraw/zinc/56/89/87/509568987.db2.gz YLZSNHVVUIKEFC-UHFFFAOYSA-N 1 0 374.506 2.944 20 10 FFCDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166534653 509610312 /nfs/dbraw/zinc/61/03/12/509610312.db2.gz UYARJYYTCPVVBV-VYDXJSESSA-N 1 0 352.450 2.507 20 10 FFCDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000171128883 509957685 /nfs/dbraw/zinc/95/76/85/509957685.db2.gz OBKIDOHKGMBCMQ-UHFFFAOYSA-N 1 0 354.406 2.515 20 10 FFCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187151375 510089223 /nfs/dbraw/zinc/08/92/23/510089223.db2.gz MPJJIWJUZCHSFI-JTQLQIEISA-N 1 0 350.278 2.548 20 10 FFCDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccc1 ZINC000269517050 510445370 /nfs/dbraw/zinc/44/53/70/510445370.db2.gz QTZPNQPYRAONDD-NRFANRHFSA-N 1 0 367.493 2.602 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000187810184 510449755 /nfs/dbraw/zinc/44/97/55/510449755.db2.gz QEGBLOCBBCBZNB-GFCCVEGCSA-N 1 0 351.397 2.857 20 10 FFCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000184732742 510490104 /nfs/dbraw/zinc/49/01/04/510490104.db2.gz AYHPDZACMWOGTI-IBGZPJMESA-N 1 0 354.498 2.711 20 10 FFCDRO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000194797154 510531617 /nfs/dbraw/zinc/53/16/17/510531617.db2.gz SAEDZZJXNULYHJ-LJQANCHMSA-N 1 0 358.482 2.774 20 10 FFCDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000269916956 510596929 /nfs/dbraw/zinc/59/69/29/510596929.db2.gz JTCFIYDTXPAYBM-DOTOQJQBSA-N 1 0 366.255 2.729 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964731 510605711 /nfs/dbraw/zinc/60/57/11/510605711.db2.gz DYVDLNKMJQGUTC-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CCOc1cccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000285408452 510895100 /nfs/dbraw/zinc/89/51/00/510895100.db2.gz FQPLKZKYEHVFNB-UHFFFAOYSA-N 1 0 354.406 2.567 20 10 FFCDRO CCOC1CC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)(N2CCOCC2)C1 ZINC000285439086 510906921 /nfs/dbraw/zinc/90/69/21/510906921.db2.gz YZIUCBJXRZECEQ-XPQZIERPSA-N 1 0 362.514 2.930 20 10 FFCDRO Cc1cc(N2CCC([NH2+]Cc3cc(Br)ccc3O)CC2)n[nH]1 ZINC000276012552 510923123 /nfs/dbraw/zinc/92/31/23/510923123.db2.gz MJWIBOXYOOKJMP-UHFFFAOYSA-N 1 0 365.275 2.945 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCOCC1 ZINC000276930686 510950128 /nfs/dbraw/zinc/95/01/28/510950128.db2.gz AEWJUVIKRUIRLL-HZPDHXFCSA-N 1 0 366.477 2.725 20 10 FFCDRO COc1c(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000278289233 510988088 /nfs/dbraw/zinc/98/80/88/510988088.db2.gz UUNJKKBEXNNQMY-UHFFFAOYSA-N 1 0 371.393 2.573 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2c(O)cccc2Cl)cc1O ZINC000289538280 511103812 /nfs/dbraw/zinc/10/38/12/511103812.db2.gz WQNWPSVJVSTFME-ZDUSSCGKSA-N 1 0 351.830 2.701 20 10 FFCDRO C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290361252 511135481 /nfs/dbraw/zinc/13/54/81/511135481.db2.gz QTVANJXBXNOLQW-AWEZNQCLSA-N 1 0 374.441 2.877 20 10 FFCDRO O=C([C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCCC1 ZINC000290570086 511146156 /nfs/dbraw/zinc/14/61/56/511146156.db2.gz SZQAADLITKLHIR-GFCCVEGCSA-N 1 0 353.260 2.599 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000298203798 511208408 /nfs/dbraw/zinc/20/84/08/511208408.db2.gz CPRSFBROQYFOOO-AEFFLSMTSA-N 1 0 351.441 2.688 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000271817604 511335563 /nfs/dbraw/zinc/33/55/63/511335563.db2.gz MGNUDGKXGJFCIJ-HNNXBMFYSA-N 1 0 352.228 2.987 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271875129 511355129 /nfs/dbraw/zinc/35/51/29/511355129.db2.gz RGTYQRHJJJHENA-OAHLLOKOSA-N 1 0 359.495 2.785 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1ccccc1F)cc2=O ZINC000292164561 511490998 /nfs/dbraw/zinc/49/09/98/511490998.db2.gz OXINTSIBTSBZMF-UHFFFAOYSA-N 1 0 372.400 2.776 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000273413765 511524847 /nfs/dbraw/zinc/52/48/47/511524847.db2.gz QGVITPHCIOCLTC-HNNXBMFYSA-N 1 0 370.449 2.724 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000273437701 511526728 /nfs/dbraw/zinc/52/67/28/511526728.db2.gz XPYYCMVDTUQBDE-OAHLLOKOSA-N 1 0 372.465 2.970 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000292474311 511609823 /nfs/dbraw/zinc/60/98/23/511609823.db2.gz RPSCRCNLASHTPL-VBKZILBWSA-N 1 0 373.522 2.722 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284509403 511752569 /nfs/dbraw/zinc/75/25/69/511752569.db2.gz BHQNEBVMIBXYOI-RRMPHLOHSA-N 1 0 369.513 2.889 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1O ZINC000363869555 511819719 /nfs/dbraw/zinc/81/97/19/511819719.db2.gz RIYCFSRLGKITOA-AAEUAGOBSA-N 1 0 365.275 2.818 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000363961979 511875872 /nfs/dbraw/zinc/87/58/72/511875872.db2.gz KMIOVEWSXWCTKK-HKUYNNGSSA-N 1 0 372.513 2.544 20 10 FFCDRO CN(c1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1)C1CCCCC1 ZINC000284863647 511903482 /nfs/dbraw/zinc/90/34/82/511903482.db2.gz RENRGIRHJIJBIS-UHFFFAOYSA-N 1 0 359.514 2.827 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296864913 511927543 /nfs/dbraw/zinc/92/75/43/511927543.db2.gz ZDCDYADHLLULTP-AWEZNQCLSA-N 1 0 356.426 2.628 20 10 FFCDRO COC1CCN(c2ccc(CN3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000296879910 511934843 /nfs/dbraw/zinc/93/48/43/511934843.db2.gz WXFMJLCCFPTWCU-UXHICEINSA-N 1 0 357.498 2.545 20 10 FFCDRO CN(C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1)S(C)(=O)=O ZINC000285174073 512026117 /nfs/dbraw/zinc/02/61/17/512026117.db2.gz UEYAZTQFZRLBOC-OAHLLOKOSA-N 1 0 362.495 2.649 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369671833 512547011 /nfs/dbraw/zinc/54/70/11/512547011.db2.gz VWLGIUXCELONRE-UHFFFAOYSA-N 1 0 364.243 2.988 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000378534116 512811224 /nfs/dbraw/zinc/81/12/24/512811224.db2.gz CAJLWEOEHXALMW-LNENJAERSA-N 1 0 352.434 2.844 20 10 FFCDRO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370742082 513079346 /nfs/dbraw/zinc/07/93/46/513079346.db2.gz VJBKUFJAGBPIDQ-HXUWFJFHSA-N 1 0 371.481 2.919 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC[C@@H]2C)C1 ZINC000435972255 513729292 /nfs/dbraw/zinc/72/92/92/513729292.db2.gz CFAVEYONLADAHU-LPHOPBHVSA-N 1 0 369.509 2.949 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000472230384 515176679 /nfs/dbraw/zinc/17/66/79/515176679.db2.gz MQOHXFJXZDRUCF-KRWDZBQOSA-N 1 0 372.513 2.739 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529682525 517282202 /nfs/dbraw/zinc/28/22/02/517282202.db2.gz VSRFEDCGPJFJOD-MTJIALIYSA-N 1 0 358.301 2.949 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1O ZINC000527946488 518004855 /nfs/dbraw/zinc/00/48/55/518004855.db2.gz DTLQPZURRNOTOZ-LIRRHRJNSA-N 1 0 368.905 2.620 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826263734 608054760 /nfs/dbraw/zinc/05/47/60/608054760.db2.gz OHFUDFARJPPCJZ-SFHVURJKSA-N 1 0 365.437 2.763 20 10 FFCDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)ccc1O ZINC000826158990 608566658 /nfs/dbraw/zinc/56/66/58/608566658.db2.gz LMGHXFFEMBZOAO-UHFFFAOYSA-N 1 0 353.426 2.529 20 10 FFCDRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000153389757 728778950 /nfs/dbraw/zinc/77/89/50/728778950.db2.gz DKTUIWKATJXRAT-IBGZPJMESA-N 1 0 363.889 2.790 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)C[N@H+](C)[C@H]3CCSC3)cc2)CC1 ZINC000154002539 728793771 /nfs/dbraw/zinc/79/37/71/728793771.db2.gz YJSOITRDWYSKJM-IBGZPJMESA-N 1 0 361.555 2.976 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000156914947 728861962 /nfs/dbraw/zinc/86/19/62/728861962.db2.gz SDMFZHRUXRFWLJ-QGZVFWFLSA-N 1 0 367.559 2.999 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1O ZINC000898399008 735355477 /nfs/dbraw/zinc/35/54/77/735355477.db2.gz MBGRDXQCLORTDQ-RUZDIDTESA-N 1 0 369.531 2.577 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000745593830 735431353 /nfs/dbraw/zinc/43/13/53/735431353.db2.gz YKHQDXQVFRUCIY-DOTOQJQBSA-N 1 0 362.543 2.522 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000746721465 735507290 /nfs/dbraw/zinc/50/72/90/735507290.db2.gz ARFFHOPVIKFSGK-HUUCEWRRSA-N 1 0 350.482 2.954 20 10 FFCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000092303361 728466386 /nfs/dbraw/zinc/46/63/86/728466386.db2.gz XTLYCXVCGPRTRE-OAHLLOKOSA-N 1 0 354.516 2.512 20 10 FFCDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000122254656 728645818 /nfs/dbraw/zinc/64/58/18/728645818.db2.gz BOKYJWBBUBSLRJ-CQSZACIVSA-N 1 0 350.459 2.844 20 10 FFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000126427063 728702063 /nfs/dbraw/zinc/70/20/63/728702063.db2.gz GQAVQFFSPKMOMX-LSDHHAIUSA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000134263199 728729332 /nfs/dbraw/zinc/72/93/32/728729332.db2.gz DAVGGZFDUOBNMB-QAPCUYQASA-N 1 0 352.862 2.695 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000177274489 729133019 /nfs/dbraw/zinc/13/30/19/729133019.db2.gz ICMBYBYJSKQFOY-CQSZACIVSA-N 1 0 350.434 2.718 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)cc2O)s1 ZINC000186141946 729361175 /nfs/dbraw/zinc/36/11/75/729361175.db2.gz ZOGOLRVLGUQJCH-CYBMUJFWSA-N 1 0 354.497 2.700 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2O)s1 ZINC000186141797 729361228 /nfs/dbraw/zinc/36/12/28/729361228.db2.gz VPNHOUJXMLNFAC-CYBMUJFWSA-N 1 0 354.497 2.700 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000858095966 730416484 /nfs/dbraw/zinc/41/64/84/730416484.db2.gz SOGFQTADIYWVRO-LBPRGKRZSA-N 1 0 352.228 2.684 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000858136292 730417537 /nfs/dbraw/zinc/41/75/37/730417537.db2.gz OIGUZKMKYMTDRU-CQSZACIVSA-N 1 0 369.303 2.888 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858142663 730417702 /nfs/dbraw/zinc/41/77/02/730417702.db2.gz ISFBWDWQLZRNMQ-WDEREUQCSA-N 1 0 362.289 2.600 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)[C@H]1n1cccn1 ZINC000858170204 730418554 /nfs/dbraw/zinc/41/85/54/730418554.db2.gz HPUQJQZZVBWPHG-NUEKZKHPSA-N 1 0 366.259 2.860 20 10 FFCDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858172111 730418733 /nfs/dbraw/zinc/41/87/33/730418733.db2.gz JZKHOTSXEICQOZ-BZNIZROVSA-N 1 0 366.259 2.898 20 10 FFCDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858175109 730418741 /nfs/dbraw/zinc/41/87/41/730418741.db2.gz HMMMOYVMQYRLKA-XHDPSFHLSA-N 1 0 366.259 2.898 20 10 FFCDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858177458 730418870 /nfs/dbraw/zinc/41/88/70/730418870.db2.gz LVEKWWBKBXFTPM-HNNXBMFYSA-N 1 0 350.409 2.905 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1 ZINC000858236701 730420548 /nfs/dbraw/zinc/42/05/48/730420548.db2.gz XXRPVKNLODNQPA-UHFFFAOYSA-N 1 0 359.413 2.838 20 10 FFCDRO CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000858465893 730426546 /nfs/dbraw/zinc/42/65/46/730426546.db2.gz PHRXTOONYUKNFY-APWZRJJASA-N 1 0 368.905 2.702 20 10 FFCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779641616 738473961 /nfs/dbraw/zinc/47/39/61/738473961.db2.gz HTHOHOZKFREDGC-MJGOQNOKSA-N 1 0 350.528 2.980 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686324 730634510 /nfs/dbraw/zinc/63/45/10/730634510.db2.gz NZTCQRVRWGKUOE-BXUZGUMPSA-N 1 0 370.291 2.827 20 10 FFCDRO CN(Cc1cn(C)nc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000862326674 730687743 /nfs/dbraw/zinc/68/77/43/730687743.db2.gz RSRBSVOEKAUUPM-UHFFFAOYSA-N 1 0 367.291 2.759 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(N)=O)c(Cl)c3)cc2)CC1 ZINC000863986897 730819382 /nfs/dbraw/zinc/81/93/82/730819382.db2.gz KCAOAJJIPZDSOI-UHFFFAOYSA-N 1 0 358.873 2.803 20 10 FFCDRO Cc1scc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1C ZINC000865462331 730958372 /nfs/dbraw/zinc/95/83/72/730958372.db2.gz KMJDQQABQWSMGK-UHFFFAOYSA-N 1 0 364.536 2.890 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925349985 738498263 /nfs/dbraw/zinc/49/82/63/738498263.db2.gz CESHOBYOQOEWHN-CQSZACIVSA-N 1 0 365.861 2.683 20 10 FFCDRO COc1ccc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000780142133 738521958 /nfs/dbraw/zinc/52/19/58/738521958.db2.gz DWNAKILZUIQTRI-MDWZMJQESA-N 1 0 365.524 2.879 20 10 FFCDRO C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cc1O ZINC000925792023 738530131 /nfs/dbraw/zinc/53/01/31/738530131.db2.gz NUGOQQLHYVODSD-OCCSQVGLSA-N 1 0 369.303 2.964 20 10 FFCDRO COc1cc(F)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000876507026 732253547 /nfs/dbraw/zinc/25/35/47/732253547.db2.gz UAIYNIUWEOSDNZ-INIZCTEOSA-N 1 0 365.836 2.984 20 10 FFCDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000877450923 732363604 /nfs/dbraw/zinc/36/36/04/732363604.db2.gz IANZQXYYVNBKMT-IRXDYDNUSA-N 1 0 356.495 2.625 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926944080 738670627 /nfs/dbraw/zinc/67/06/27/738670627.db2.gz NIIJMAZWIQTBPL-NOBRSGAKSA-N 1 0 372.259 2.618 20 10 FFCDRO Cc1cc(C(=O)Cn2cc([C@H](C)[NH3+])nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351548 733043270 /nfs/dbraw/zinc/04/32/70/733043270.db2.gz USNLZSPNANZLIK-NSHDSACASA-N 1 0 358.833 2.637 20 10 FFCDRO CS[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883473322 733390154 /nfs/dbraw/zinc/39/01/54/733390154.db2.gz WCVSQQWKIUGXBA-WMZOPIPTSA-N 1 0 362.543 2.522 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000886528857 733800681 /nfs/dbraw/zinc/80/06/81/733800681.db2.gz SIVAKTQGBHSEOH-NSHDSACASA-N 1 0 352.485 2.733 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c1 ZINC000705687277 734360542 /nfs/dbraw/zinc/36/05/42/734360542.db2.gz MKVQETROVGKINO-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCc1cc(Cl)c3c(c1)OCCO3)OCO2 ZINC000725847531 734395860 /nfs/dbraw/zinc/39/58/60/734395860.db2.gz ASTZLBHJAZQZDE-UHFFFAOYSA-N 1 0 363.797 2.878 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000725897640 734398191 /nfs/dbraw/zinc/39/81/91/734398191.db2.gz SSXRWHAQYOAIIK-HZPDHXFCSA-N 1 0 359.495 2.749 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CSC(C)C)cc2F)CC1 ZINC000730192802 734620798 /nfs/dbraw/zinc/62/07/98/734620798.db2.gz NQJVRZBAQVLEIF-UHFFFAOYSA-N 1 0 353.507 2.725 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000892932060 734625017 /nfs/dbraw/zinc/62/50/17/734625017.db2.gz ZZAQAGZWJVCDQD-UHFFFAOYSA-N 1 0 356.264 2.568 20 10 FFCDRO COc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(O)c1OC ZINC000893858763 734762951 /nfs/dbraw/zinc/76/29/51/734762951.db2.gz KUQLBKDOPNAVTE-UHFFFAOYSA-N 1 0 362.392 2.773 20 10 FFCDRO CCc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000733299752 734805415 /nfs/dbraw/zinc/80/54/15/734805415.db2.gz JJZMTPHVLFCPOW-INIZCTEOSA-N 1 0 368.543 2.766 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000894203664 734817575 /nfs/dbraw/zinc/81/75/75/734817575.db2.gz DSLSRDDIFXPDQA-CYBMUJFWSA-N 1 0 364.467 2.932 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@H](O)c2ccsc2)c2cc(F)ccc2n1C ZINC000894281621 734829932 /nfs/dbraw/zinc/82/99/32/734829932.db2.gz QUZRAZJMEAIIOH-INIZCTEOSA-N 1 0 362.426 2.989 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC(F)(F)C1 ZINC000895814591 735058696 /nfs/dbraw/zinc/05/86/96/735058696.db2.gz QDBIBNJPERYQOC-CYBMUJFWSA-N 1 0 351.441 2.912 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000895815046 735058730 /nfs/dbraw/zinc/05/87/30/735058730.db2.gz YBYLYZBJRIXRTP-AWEZNQCLSA-N 1 0 356.297 2.672 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000740900027 735097501 /nfs/dbraw/zinc/09/75/01/735097501.db2.gz IWTRBRIFELYZLU-CHWSQXEVSA-N 1 0 362.289 2.600 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000741753840 735160569 /nfs/dbraw/zinc/16/05/69/735160569.db2.gz CDRPKZQBXOZACE-OAHLLOKOSA-N 1 0 361.511 2.983 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000896907071 735187569 /nfs/dbraw/zinc/18/75/69/735187569.db2.gz IYIYEFPCFYIHAV-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OCC)cc2O)CCOCC1 ZINC000897745963 735272585 /nfs/dbraw/zinc/27/25/85/735272585.db2.gz UMOFTLNBGHNKFD-AWEZNQCLSA-N 1 0 351.443 2.629 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCCOCC2)c1O ZINC000903225786 736059589 /nfs/dbraw/zinc/05/95/89/736059589.db2.gz BCEDCLTYIDQABJ-GFCCVEGCSA-N 1 0 373.291 2.536 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000903286172 736071258 /nfs/dbraw/zinc/07/12/58/736071258.db2.gz CUISDOYWKGGIMJ-BVYSRDFPSA-N 1 0 354.244 2.990 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000903424097 736091064 /nfs/dbraw/zinc/09/10/64/736091064.db2.gz MBYFMBKCVRWCCB-LBPRGKRZSA-N 1 0 352.431 2.778 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1cccs1)cc2=O ZINC000754820617 736204930 /nfs/dbraw/zinc/20/49/30/736204930.db2.gz KTGLUCOQMIRMOD-UHFFFAOYSA-N 1 0 360.439 2.698 20 10 FFCDRO C[C@@](O)(C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F ZINC000905134680 736301148 /nfs/dbraw/zinc/30/11/48/736301148.db2.gz KZXNNJGWTZPATR-MEDUHNTESA-N 1 0 350.356 2.863 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)c2c1c(F)ccc2O ZINC000756456690 736332873 /nfs/dbraw/zinc/33/28/73/736332873.db2.gz OBCSZXQJZOHKSQ-MUKKUYKPSA-N 1 0 366.502 2.877 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762616071 736845554 /nfs/dbraw/zinc/84/55/54/736845554.db2.gz PUPRVRFLYIEVIM-KURKYZTESA-N 1 0 350.553 2.992 20 10 FFCDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(Br)cc1O ZINC000763560018 736948206 /nfs/dbraw/zinc/94/82/06/736948206.db2.gz YZUOXKGTNXCJPH-IAQYHMDHSA-N 1 0 358.276 2.983 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@]12CCOC2 ZINC000764257465 737005835 /nfs/dbraw/zinc/00/58/35/737005835.db2.gz HLANPHFHQJCBDO-GJYPPUQNSA-N 1 0 364.873 2.553 20 10 FFCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764845200 737055889 /nfs/dbraw/zinc/05/58/89/737055889.db2.gz OZNJNBMAYNZUJF-AWEZNQCLSA-N 1 0 353.894 2.742 20 10 FFCDRO C[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[S@](C)=O ZINC000765285447 737104861 /nfs/dbraw/zinc/10/48/61/737104861.db2.gz IOUIHTHMCUQDCV-SHACYNPGSA-N 1 0 353.488 2.832 20 10 FFCDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000765361741 737112012 /nfs/dbraw/zinc/11/20/12/737112012.db2.gz CSNOJMXTDZXGAE-GFCCVEGCSA-N 1 0 350.356 2.892 20 10 FFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)ccc1S(C)(=O)=O ZINC000765607383 737137688 /nfs/dbraw/zinc/13/76/88/737137688.db2.gz DCTMXXAGTKECBO-CYBMUJFWSA-N 1 0 361.463 2.884 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765728614 737149551 /nfs/dbraw/zinc/14/95/51/737149551.db2.gz MWLYTHWRUGQFOE-HZPDHXFCSA-N 1 0 367.921 2.548 20 10 FFCDRO FC(F)C(F)(F)COCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000766223929 737209763 /nfs/dbraw/zinc/20/97/63/737209763.db2.gz JYLKYQANWABCKH-UHFFFAOYSA-N 1 0 350.356 2.530 20 10 FFCDRO C[NH+](C)CCOC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000769384756 737522973 /nfs/dbraw/zinc/52/29/73/737522973.db2.gz VXQRSWQHRIUMKP-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000769415574 737526226 /nfs/dbraw/zinc/52/62/26/737526226.db2.gz VWCAMFMPMDRNTA-AWEZNQCLSA-N 1 0 356.260 2.973 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=CCCCO1 ZINC000771060034 737690490 /nfs/dbraw/zinc/69/04/90/737690490.db2.gz SLDNYXYBXFCKEZ-OAHLLOKOSA-N 1 0 350.846 2.821 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000772984775 737861379 /nfs/dbraw/zinc/86/13/79/737861379.db2.gz QCSJJDDFPLBKJO-GFCCVEGCSA-N 1 0 350.440 2.623 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000773359543 737899181 /nfs/dbraw/zinc/89/91/81/737899181.db2.gz ANWZRANXIAQZKN-KDOFPFPSSA-N 1 0 350.532 2.550 20 10 FFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)o1 ZINC000774187160 737967237 /nfs/dbraw/zinc/96/72/37/737967237.db2.gz OTHZBRKMXZYPDL-HNNXBMFYSA-N 1 0 362.495 2.982 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000775257327 738076694 /nfs/dbraw/zinc/07/66/94/738076694.db2.gz HGZXGYRBMDPZLE-HNNXBMFYSA-N 1 0 359.495 2.552 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccccc2S(=O)(=O)CC)c1 ZINC000922689744 738186177 /nfs/dbraw/zinc/18/61/77/738186177.db2.gz XFOBTSDCFUJNCT-UHFFFAOYSA-N 1 0 363.479 2.917 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000776936672 738246680 /nfs/dbraw/zinc/24/66/80/738246680.db2.gz IGRMPRJXAQJPJM-OAHLLOKOSA-N 1 0 362.857 2.878 20 10 FFCDRO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000785986280 739016704 /nfs/dbraw/zinc/01/67/04/739016704.db2.gz SJCYSOWWRUZUSE-OAHLLOKOSA-N 1 0 368.543 2.850 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)ccc1OC ZINC000786826800 739079946 /nfs/dbraw/zinc/07/99/46/739079946.db2.gz IHWFNFOACQKBMD-UHFFFAOYSA-N 1 0 369.508 2.987 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000788668420 739270902 /nfs/dbraw/zinc/27/09/02/739270902.db2.gz KPMOJWDAVVCTSE-CQSZACIVSA-N 1 0 352.500 2.616 20 10 FFCDRO CSC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000788949103 739301004 /nfs/dbraw/zinc/30/10/04/739301004.db2.gz NLZBTBOBXIETOG-UHFFFAOYSA-N 1 0 359.539 2.730 20 10 FFCDRO CN(C)c1ccc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000792971013 739724982 /nfs/dbraw/zinc/72/49/82/739724982.db2.gz XTRMNBQPLFJTQB-HOTGVXAUSA-N 1 0 357.420 2.724 20 10 FFCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075768 739737210 /nfs/dbraw/zinc/73/72/10/739737210.db2.gz BSHIDUJBRNBSKP-MRXNPFEDSA-N 1 0 362.392 2.829 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000793194034 739750726 /nfs/dbraw/zinc/75/07/26/739750726.db2.gz ZNRUXWXJRTUEDN-UHFFFAOYSA-N 1 0 357.420 2.726 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1 ZINC000934752871 739832530 /nfs/dbraw/zinc/83/25/30/739832530.db2.gz RXQLOWWTDXVHFA-RUZDIDTESA-N 1 0 366.575 2.929 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000796529152 740150269 /nfs/dbraw/zinc/15/02/69/740150269.db2.gz MFVPFPQYXRMZGS-OLZOCXBDSA-N 1 0 361.515 2.919 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2c(O)cccc2OC)s1 ZINC000796533606 740150524 /nfs/dbraw/zinc/15/05/24/740150524.db2.gz VVUYRWJKKFLREV-GHMZBOCLSA-N 1 0 364.471 2.568 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000797116138 740213671 /nfs/dbraw/zinc/21/36/71/740213671.db2.gz FLBOISFNNHUXHH-UKRRQHHQSA-N 1 0 360.907 2.900 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000799345171 740410876 /nfs/dbraw/zinc/41/08/76/740410876.db2.gz UEHNPIKEOWTKAU-UHFFFAOYSA-N 1 0 372.849 2.561 20 10 FFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC(=O)N1C ZINC000799954612 740467117 /nfs/dbraw/zinc/46/71/17/740467117.db2.gz BAZSXXZQPYKCBP-NSHDSACASA-N 1 0 363.255 2.970 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805183925 740948299 /nfs/dbraw/zinc/94/82/99/740948299.db2.gz HUFOJGKQDXPTKN-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000808200141 741198365 /nfs/dbraw/zinc/19/83/65/741198365.db2.gz PYHOQHWWGHDUBH-AAEUAGOBSA-N 1 0 350.415 2.608 20 10 FFCDRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000808434203 741225440 /nfs/dbraw/zinc/22/54/40/741225440.db2.gz YHOHJJHKUBVEIQ-ZDUSSCGKSA-N 1 0 366.870 2.598 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000809702380 741333634 /nfs/dbraw/zinc/33/36/34/741333634.db2.gz SKSMKAPDWOUBJB-DOMZBBRYSA-N 1 0 360.907 2.552 20 10 FFCDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810258105 741402201 /nfs/dbraw/zinc/40/22/01/741402201.db2.gz ZHJANNIPSQHNCR-GJZGRUSLSA-N 1 0 356.894 2.879 20 10 FFCDRO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810258108 741402297 /nfs/dbraw/zinc/40/22/97/741402297.db2.gz ZHJANNIPSQHNCR-LSDHHAIUSA-N 1 0 356.894 2.879 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(CO)CCC1 ZINC000814169167 741799928 /nfs/dbraw/zinc/79/99/28/741799928.db2.gz DTXYMMFVGYUGNK-LJQANCHMSA-N 1 0 350.478 2.939 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]1n1cccn1 ZINC000815167140 741908404 /nfs/dbraw/zinc/90/84/04/741908404.db2.gz SDJBVPAMKAWNHQ-IMJJTQAJSA-N 1 0 366.259 2.860 20 10 FFCDRO C[NH+](C)C1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000817574276 742171677 /nfs/dbraw/zinc/17/16/77/742171677.db2.gz XOXFWCVJDSXNRT-UHFFFAOYSA-N 1 0 365.861 2.683 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000824502272 743094216 /nfs/dbraw/zinc/09/42/16/743094216.db2.gz ZDLVKALAUCJPPB-OAHLLOKOSA-N 1 0 354.219 2.987 20 10 FFCDRO Oc1cc(Br)ccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000824556494 743104087 /nfs/dbraw/zinc/10/40/87/743104087.db2.gz VXIIOAQPVAGDEW-INIZCTEOSA-N 1 0 369.303 2.841 20 10 FFCDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1)N1CCCC1 ZINC000824807711 743152493 /nfs/dbraw/zinc/15/24/93/743152493.db2.gz HHZNDLIFNAYYJD-CQSZACIVSA-N 1 0 367.287 2.989 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000824943199 743183203 /nfs/dbraw/zinc/18/32/03/743183203.db2.gz JIRFQPWYNPPMQF-LBPRGKRZSA-N 1 0 351.248 2.658 20 10 FFCDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825131410 743215142 /nfs/dbraw/zinc/21/51/42/743215142.db2.gz NQEXHGDNPZVWEP-HNNXBMFYSA-N 1 0 352.228 2.987 20 10 FFCDRO CN(C)C(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000825265782 743237665 /nfs/dbraw/zinc/23/76/65/743237665.db2.gz DWEMOZCEBPRXCL-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000825461004 743275010 /nfs/dbraw/zinc/27/50/10/743275010.db2.gz OAQGBLHKHJCHLK-UHFFFAOYSA-N 1 0 350.434 2.965 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000825562090 743293705 /nfs/dbraw/zinc/29/37/05/743293705.db2.gz JOCPETLASIJMOE-SNVBAGLBSA-N 1 0 350.768 2.854 20 10 FFCDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825744254 743321365 /nfs/dbraw/zinc/32/13/65/743321365.db2.gz JBYOYBGNXUXOIW-LSDHHAIUSA-N 1 0 350.503 2.585 20 10 FFCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc(Br)cc2O)CCCC1 ZINC000825892702 743339229 /nfs/dbraw/zinc/33/92/29/743339229.db2.gz HCPBBSYCTLTAAU-UHFFFAOYSA-N 1 0 362.289 2.602 20 10 FFCDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827076550 743500869 /nfs/dbraw/zinc/50/08/69/743500869.db2.gz SEURGNMHVPFSDR-AWEZNQCLSA-N 1 0 358.511 2.920 20 10 FFCDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000827634621 744951352 /nfs/dbraw/zinc/95/13/52/744951352.db2.gz WKUJWNDKEZZCPI-GFCCVEGCSA-N 1 0 353.260 2.599 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCNC(=O)CC1 ZINC000827944598 745005273 /nfs/dbraw/zinc/00/52/73/745005273.db2.gz KHYVHECGNXPXGD-LBPRGKRZSA-N 1 0 355.276 2.893 20 10 FFCDRO CO[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000830545061 745378134 /nfs/dbraw/zinc/37/81/34/745378134.db2.gz WFTCUXPJHVJNHF-AEFFLSMTSA-N 1 0 366.889 2.941 20 10 FFCDRO O=C(CCc1ccon1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544726 745378405 /nfs/dbraw/zinc/37/84/05/745378405.db2.gz TUAVWVQWGKQAHC-INIZCTEOSA-N 1 0 363.845 2.747 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1O ZINC000834850009 745913885 /nfs/dbraw/zinc/91/38/85/745913885.db2.gz IJLCYPHHQPZEBN-JSGCOSHPSA-N 1 0 357.292 2.652 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000835081525 745946731 /nfs/dbraw/zinc/94/67/31/745946731.db2.gz IWNJONGUDDHUQL-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)NC1CC1 ZINC000839098777 746774410 /nfs/dbraw/zinc/77/44/10/746774410.db2.gz PTZLRKQLXYUYKV-UHFFFAOYSA-N 1 0 366.303 2.808 20 10 FFCDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1O ZINC000840782029 747181944 /nfs/dbraw/zinc/18/19/44/747181944.db2.gz ZZKZEFPTIYMNEU-KRWDZBQOSA-N 1 0 368.905 2.968 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3c(O)cc(C)cc3Cl)CC2)nn1 ZINC000840939750 747235479 /nfs/dbraw/zinc/23/54/79/747235479.db2.gz PSCHYLUKNJTCGE-UHFFFAOYSA-N 1 0 364.833 2.569 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1 ZINC000840950920 747239988 /nfs/dbraw/zinc/23/99/88/747239988.db2.gz QTXVIZXIUJMHBI-UHFFFAOYSA-N 1 0 368.886 2.894 20 10 FFCDRO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707457 747437622 /nfs/dbraw/zinc/43/76/22/747437622.db2.gz UFQFJNQYWKVLLQ-KRWDZBQOSA-N 1 0 362.543 2.510 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841746428 747447462 /nfs/dbraw/zinc/44/74/62/747447462.db2.gz GPFIWAOEUIUZLZ-LBPRGKRZSA-N 1 0 354.859 2.675 20 10 FFCDRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000841895123 747483486 /nfs/dbraw/zinc/48/34/86/747483486.db2.gz RUQBJMAMSMGKPM-UHFFFAOYSA-N 1 0 370.877 2.897 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842720340 747668461 /nfs/dbraw/zinc/66/84/61/747668461.db2.gz FVWYBVYRZNHQLG-GFCCVEGCSA-N 1 0 371.275 2.652 20 10 FFCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000842749258 747677383 /nfs/dbraw/zinc/67/73/83/747677383.db2.gz AMLXDUUDMYFFAS-NVXWUHKLSA-N 1 0 369.303 2.943 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000842784816 747687472 /nfs/dbraw/zinc/68/74/72/747687472.db2.gz MINOUJLHFKUSDF-INIZCTEOSA-N 1 0 371.865 2.523 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000843415715 747831359 /nfs/dbraw/zinc/83/13/59/747831359.db2.gz MUBRGUWAOSVGSI-CYBMUJFWSA-N 1 0 355.276 2.952 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843417763 747833310 /nfs/dbraw/zinc/83/33/10/747833310.db2.gz KKEMGPMVEVWAGY-AWEZNQCLSA-N 1 0 367.854 2.679 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846071387 748396369 /nfs/dbraw/zinc/39/63/69/748396369.db2.gz CVOICHZETDVMKH-NSHDSACASA-N 1 0 353.260 2.564 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1O ZINC000846145362 748415301 /nfs/dbraw/zinc/41/53/01/748415301.db2.gz NNEHBDBCKQBUFI-VXGBXAGGSA-N 1 0 353.365 2.770 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206925 748430749 /nfs/dbraw/zinc/43/07/49/748430749.db2.gz VVHGRADFWJJAHL-GHMZBOCLSA-N 1 0 353.260 2.816 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCOCC2)c1O ZINC000848514934 748947410 /nfs/dbraw/zinc/94/74/10/748947410.db2.gz UFJBXIPNYFERDV-GFCCVEGCSA-N 1 0 373.291 2.536 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000848524764 748949389 /nfs/dbraw/zinc/94/93/89/748949389.db2.gz MAIVPACVFMQUHY-VXGBXAGGSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000848534298 748952681 /nfs/dbraw/zinc/95/26/81/748952681.db2.gz ONRCTRZFVGDHIO-GRZMOONWSA-N 1 0 371.275 2.858 20 10 FFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848533706 748953080 /nfs/dbraw/zinc/95/30/80/748953080.db2.gz UFNNUFCRBOKTCY-ZYHUDNBSSA-N 1 0 371.275 2.825 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1O ZINC000848536283 748953812 /nfs/dbraw/zinc/95/38/12/748953812.db2.gz PICANRCULAUEFW-ZIBATOQPSA-N 1 0 373.291 2.533 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000848552657 748957985 /nfs/dbraw/zinc/95/79/85/748957985.db2.gz FKKKLDOWGXQYLE-ZIBATOQPSA-N 1 0 374.275 2.865 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c(C(F)(F)F)c1 ZINC000848564739 748962008 /nfs/dbraw/zinc/96/20/08/748962008.db2.gz CIEXZYKYLASNCB-LBPRGKRZSA-N 1 0 353.392 2.547 20 10 FFCDRO CCc1cccc(C[N@H+](C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)c1O ZINC000848910979 749033181 /nfs/dbraw/zinc/03/31/81/749033181.db2.gz CFDSTPFYHZEWMB-OAHLLOKOSA-N 1 0 368.543 2.837 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000850137866 749309868 /nfs/dbraw/zinc/30/98/68/749309868.db2.gz XRNFCJSISFKRLZ-INIZCTEOSA-N 1 0 360.889 2.943 20 10 FFCDRO FC(F)(F)c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000850345143 749346166 /nfs/dbraw/zinc/34/61/66/749346166.db2.gz LOBUXMUBXLEMGG-UHFFFAOYSA-N 1 0 352.360 2.622 20 10 FFCDRO Cc1cccc(C)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355563 749351396 /nfs/dbraw/zinc/35/13/96/749351396.db2.gz HOGQOIQXHOTELU-UHFFFAOYSA-N 1 0 358.507 2.828 20 10 FFCDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000895580709 970765244 /nfs/dbraw/zinc/76/52/44/970765244.db2.gz KWEYHKAYWRZUOS-KRWDZBQOSA-N 1 0 372.465 2.782 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185250552 971260483 /nfs/dbraw/zinc/26/04/83/971260483.db2.gz PLJOFURVVNVAEE-INIZCTEOSA-N 1 0 371.456 2.921 20 10 FFCDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888594106 1013148850 /nfs/dbraw/zinc/14/88/50/1013148850.db2.gz VSHWMRPQJDLDFY-HNNXBMFYSA-N 1 0 364.453 2.860 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)OCC1=O ZINC001275952095 1013220343 /nfs/dbraw/zinc/22/03/43/1013220343.db2.gz UMDYDHZIASMJIM-LAUBAEHRSA-N 1 0 359.514 2.663 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)OCC1=O ZINC001275952094 1013221261 /nfs/dbraw/zinc/22/12/61/1013221261.db2.gz UMDYDHZIASMJIM-DYESRHJHSA-N 1 0 359.514 2.663 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2=CC[NH2+]CC2)CCCC1 ZINC000653131075 962091545 /nfs/dbraw/zinc/09/15/45/962091545.db2.gz YPJLAYCHBOGTSG-UHFFFAOYSA-N 1 0 353.466 2.565 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3c2CCOC3)[NH+](C)C)cc1 ZINC000891241682 962527328 /nfs/dbraw/zinc/52/73/28/962527328.db2.gz CWFNEQMXOUZYNP-NRFANRHFSA-N 1 0 367.493 2.858 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCc2cccnc2)[NH+](C)C)cc1 ZINC000891245238 962558265 /nfs/dbraw/zinc/55/82/65/962558265.db2.gz AUKMMSSWFKPGEM-HXUWFJFHSA-N 1 0 354.498 2.889 20 10 FFCDRO CCn1nc(C)c(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891249521 962586633 /nfs/dbraw/zinc/58/66/33/962586633.db2.gz RICMICLPUCYHPL-HXUWFJFHSA-N 1 0 371.529 2.547 20 10 FFCDRO Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C(C)C ZINC000891249509 962587199 /nfs/dbraw/zinc/58/71/99/962587199.db2.gz TYSLDOASPRRUCY-IBGZPJMESA-N 1 0 357.502 2.871 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3[nH]ccc3c2)[NH+](C)C)cc1 ZINC000891250792 962598982 /nfs/dbraw/zinc/59/89/82/962598982.db2.gz ZWYGXHBVMDRPKF-SFHVURJKSA-N 1 0 351.454 2.613 20 10 FFCDRO Cc1noc(C)c1[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253365 962603198 /nfs/dbraw/zinc/60/31/98/962603198.db2.gz RROIIIZBEPWYRQ-FZKQIMNGSA-N 1 0 358.486 2.880 20 10 FFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001276063573 1013389756 /nfs/dbraw/zinc/38/97/56/1013389756.db2.gz ICDONVWEZPGIDK-LJQANCHMSA-N 1 0 350.434 2.525 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000873132233 1013395761 /nfs/dbraw/zinc/39/57/61/1013395761.db2.gz LYJNMVPBWQXZEM-LJQANCHMSA-N 1 0 369.440 2.945 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891644211 964686023 /nfs/dbraw/zinc/68/60/23/964686023.db2.gz TUWUUJRZMNGAIW-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000101658148 965327713 /nfs/dbraw/zinc/32/77/13/965327713.db2.gz RJWBPNRHUZQMHF-MHORFTMASA-N 1 0 359.514 2.962 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000092012032 965357556 /nfs/dbraw/zinc/35/75/56/965357556.db2.gz JFFPQFDXPJQMGC-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1OC ZINC000894688407 965607463 /nfs/dbraw/zinc/60/74/63/965607463.db2.gz SDFLABWYWPSTIT-OXJNMPFZSA-N 1 0 361.413 2.709 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1OC ZINC000894758786 965672776 /nfs/dbraw/zinc/67/27/76/965672776.db2.gz RYGHUVISYOKHJW-KBPBESRZSA-N 1 0 370.449 2.865 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1OC ZINC000895101114 967601547 /nfs/dbraw/zinc/60/15/47/967601547.db2.gz YUZDVQXZQSEOQI-ZDUSSCGKSA-N 1 0 371.437 2.790 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000219700249 968031726 /nfs/dbraw/zinc/03/17/26/968031726.db2.gz NWRQZVVEVQPFIN-PXNSSMCTSA-N 1 0 359.514 2.854 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)cc1 ZINC000892494338 969146576 /nfs/dbraw/zinc/14/65/76/969146576.db2.gz BRGBNONKIYPOHD-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000892602844 969567036 /nfs/dbraw/zinc/56/70/36/969567036.db2.gz GDXPIPVQNIPMMR-UHFFFAOYSA-N 1 0 358.438 2.839 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c(O)c1OC ZINC000892602330 969567893 /nfs/dbraw/zinc/56/78/93/969567893.db2.gz AUGDROSICWYWPC-QGZVFWFLSA-N 1 0 370.449 2.863 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000066698642 969867877 /nfs/dbraw/zinc/86/78/77/969867877.db2.gz ROYSBAPTALOLCZ-IRXDYDNUSA-N 1 0 363.502 2.813 20 10 FFCDRO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000311301484 969868198 /nfs/dbraw/zinc/86/81/98/969868198.db2.gz LHOWZTRGZTXQKH-UHFFFAOYSA-N 1 0 361.486 2.669 20 10 FFCDRO CN1C(=O)C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000125255279 1013951409 /nfs/dbraw/zinc/95/14/09/1013951409.db2.gz LNRZKPVQYQBVLS-KUHUBIRLSA-N 1 0 374.824 2.836 20 10 FFCDRO Cc1noc2ncc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cc12 ZINC000895335240 970391923 /nfs/dbraw/zinc/39/19/23/970391923.db2.gz ZRFJPQYYFOEZFB-UHFFFAOYSA-N 1 0 352.438 2.782 20 10 FFCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893109768 970605602 /nfs/dbraw/zinc/60/56/02/970605602.db2.gz AWXWANULLIRXIY-HNNXBMFYSA-N 1 0 358.438 2.787 20 10 FFCDRO COc1cc(OC)cc(OCC[NH2+]Cc2ccc(OC)c(OC)c2O)c1 ZINC000893162663 970748265 /nfs/dbraw/zinc/74/82/65/970748265.db2.gz NGHMTNYEKJSYBH-UHFFFAOYSA-N 1 0 363.410 2.595 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2c1c(F)ccc2O ZINC000840780829 973125918 /nfs/dbraw/zinc/12/59/18/973125918.db2.gz OJNSVHXCERQWRI-GDBMZVCRSA-N 1 0 364.461 2.551 20 10 FFCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000760539639 975463370 /nfs/dbraw/zinc/46/33/70/975463370.db2.gz DFFXEUQVPHRJAV-OAHLLOKOSA-N 1 0 372.469 2.823 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1[C@H]1CCOC1 ZINC000876505809 1014287056 /nfs/dbraw/zinc/28/70/56/1014287056.db2.gz BKJPNGZFMFYEIT-ICSRJNTNSA-N 1 0 370.497 2.562 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC001142585305 976598734 /nfs/dbraw/zinc/59/87/34/976598734.db2.gz COMOACMFUYNCGB-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO CCc1nocc1CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103638 976913797 /nfs/dbraw/zinc/91/37/97/976913797.db2.gz NWHVXRMVFIMJCW-IBGZPJMESA-N 1 0 373.501 2.747 20 10 FFCDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C)O1 ZINC000899098010 976921866 /nfs/dbraw/zinc/92/18/66/976921866.db2.gz KIGZGBRPUWVCGV-JTDSTZFVSA-N 1 0 362.518 2.564 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000796581480 1014392043 /nfs/dbraw/zinc/39/20/43/1014392043.db2.gz QTVKTQMBBDJPKB-FQEVSTJZSA-N 1 0 357.429 2.613 20 10 FFCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893708755 977421237 /nfs/dbraw/zinc/42/12/37/977421237.db2.gz ODZDCYSFKYRBGH-CYBMUJFWSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1ccc(OC)c(C[N@H+](CCO)Cc2cc(C)cc(OC)c2O)c1 ZINC000894021355 977638173 /nfs/dbraw/zinc/63/81/73/977638173.db2.gz VYUOUYLBAFKPRE-UHFFFAOYSA-N 1 0 361.438 2.721 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000876972816 1014436392 /nfs/dbraw/zinc/43/63/92/1014436392.db2.gz PDWUKFDIFZZOGF-SFHVURJKSA-N 1 0 354.450 2.899 20 10 FFCDRO C[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000876987036 1014441479 /nfs/dbraw/zinc/44/14/79/1014441479.db2.gz QCJXOTRNGHHHHI-HNNXBMFYSA-N 1 0 355.438 2.540 20 10 FFCDRO Cn1c2ccc(F)cc2nc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877061592 1014465784 /nfs/dbraw/zinc/46/57/84/1014465784.db2.gz MIHGAVAPTDYPFU-UHFFFAOYSA-N 1 0 368.456 2.963 20 10 FFCDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)c(O)c1OC ZINC000894265198 978503149 /nfs/dbraw/zinc/50/31/49/978503149.db2.gz GAIYCMGDJFBJBL-XFXZXTDPSA-N 1 0 370.449 2.719 20 10 FFCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1C1CCCCC1 ZINC000877329025 1014550132 /nfs/dbraw/zinc/55/01/32/1014550132.db2.gz PFLKFFSUQJAINW-GOSISDBHSA-N 1 0 371.525 2.671 20 10 FFCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877526136 1014613910 /nfs/dbraw/zinc/61/39/10/1014613910.db2.gz FHBCCMYOYLJHEJ-UHFFFAOYSA-N 1 0 357.498 2.805 20 10 FFCDRO COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1N ZINC000904498928 980292724 /nfs/dbraw/zinc/29/27/24/980292724.db2.gz FBGWBYMWWIEIPW-GOSISDBHSA-N 1 0 371.485 2.768 20 10 FFCDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877616637 1014646797 /nfs/dbraw/zinc/64/67/97/1014646797.db2.gz LWBPYTJVMZRHOC-HXUWFJFHSA-N 1 0 367.493 2.514 20 10 FFCDRO Cc1ccc(C[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)c(O)c1 ZINC000877644556 1014658434 /nfs/dbraw/zinc/65/84/34/1014658434.db2.gz TYAJERFMYBJVPL-UHFFFAOYSA-N 1 0 368.481 2.707 20 10 FFCDRO O=C(N[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2)c1ccc(O)c(O)c1O ZINC001272043217 980559468 /nfs/dbraw/zinc/55/94/68/980559468.db2.gz BCGLHSUFHFQVEC-UXHICEINSA-N 1 0 360.454 2.911 20 10 FFCDRO CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCCCC1 ZINC000906317249 980619027 /nfs/dbraw/zinc/61/90/27/980619027.db2.gz LOKXMZVQLQINFS-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000897473790 981203608 /nfs/dbraw/zinc/20/36/08/981203608.db2.gz FRZMDWKFVNKZTI-SJLPKXTDSA-N 1 0 361.486 2.567 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(O)cc3O)cc2)CC1 ZINC000910954889 982099598 /nfs/dbraw/zinc/09/95/98/982099598.db2.gz NHTGHQNKFPFLBT-UHFFFAOYSA-N 1 0 369.465 2.558 20 10 FFCDRO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000910946568 982107658 /nfs/dbraw/zinc/10/76/58/982107658.db2.gz QHLKSUOJSCHAEG-SFHVURJKSA-N 1 0 354.450 2.669 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]2CN1c1ccsc1 ZINC001142520531 982527343 /nfs/dbraw/zinc/52/73/43/982527343.db2.gz LHIUTSGWYUDTDJ-AAEUAGOBSA-N 1 0 350.390 2.827 20 10 FFCDRO COc1cc(O)c(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000897863357 982538341 /nfs/dbraw/zinc/53/83/41/982538341.db2.gz YPSDFDXYKVLQJT-UHFFFAOYSA-N 1 0 357.406 2.960 20 10 FFCDRO CNC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000072964056 983962602 /nfs/dbraw/zinc/96/26/02/983962602.db2.gz LSMRXAWLVLCTFQ-LJQANCHMSA-N 1 0 354.450 2.933 20 10 FFCDRO C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728568 983998406 /nfs/dbraw/zinc/99/84/06/983998406.db2.gz MVRNXXBHSGEHLT-IEBWSBKVSA-N 1 0 372.557 2.611 20 10 FFCDRO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164417469 984366339 /nfs/dbraw/zinc/36/63/39/984366339.db2.gz NVNVDPFYCFEGDY-MRXNPFEDSA-N 1 0 374.485 2.807 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C4CC4)C3)cc2F)CC1 ZINC000764403399 984482402 /nfs/dbraw/zinc/48/24/02/984482402.db2.gz GCQRYIWPPMRNRF-SFHVURJKSA-N 1 0 374.504 2.909 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H]3CCO[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000761220120 984925149 /nfs/dbraw/zinc/92/51/49/984925149.db2.gz UWKSQICASOGHBB-JKSUJKDBSA-N 1 0 364.486 2.650 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)cc1 ZINC000765399999 985068955 /nfs/dbraw/zinc/06/89/55/985068955.db2.gz CKNGOTYHODFBFC-LJQANCHMSA-N 1 0 361.530 2.753 20 10 FFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921554285 985311258 /nfs/dbraw/zinc/31/12/58/985311258.db2.gz DINFBJPOUCEMRX-UHFFFAOYSA-N 1 0 354.450 2.816 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000651296387 1015119522 /nfs/dbraw/zinc/11/95/22/1015119522.db2.gz NWJCOEYAZIODOO-MRXNPFEDSA-N 1 0 369.509 2.987 20 10 FFCDRO COc1ccc([C@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168586725 985632059 /nfs/dbraw/zinc/63/20/59/985632059.db2.gz KIYQNLXAYXPIIQ-UIAACRFSSA-N 1 0 359.422 2.650 20 10 FFCDRO COCCOc1cc2c(cc1CN1CCCc3cc(C[NH3+])ccc31)OCO2 ZINC000843057778 985727868 /nfs/dbraw/zinc/72/78/68/985727868.db2.gz UTTAAEBKYOOSCS-UHFFFAOYSA-N 1 0 370.449 2.852 20 10 FFCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]CC(=O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168606368 985786903 /nfs/dbraw/zinc/78/69/03/985786903.db2.gz GEFGPVRHDGLTMP-YWZLYKJASA-N 1 0 357.406 2.799 20 10 FFCDRO COCc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000879385143 1015507932 /nfs/dbraw/zinc/50/79/32/1015507932.db2.gz HZAHXXMNPGRSLE-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000916624876 989844732 /nfs/dbraw/zinc/84/47/32/989844732.db2.gz VPVKHOGVMFBCBO-OALUTQOASA-N 1 0 374.554 2.666 20 10 FFCDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCOCC2 ZINC000923036257 990807718 /nfs/dbraw/zinc/80/77/18/990807718.db2.gz SUTYLQMQLMRVRT-MSOLQXFVSA-N 1 0 363.454 2.963 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)n1-c1ccc(F)cn1 ZINC000879579704 1015595630 /nfs/dbraw/zinc/59/56/30/1015595630.db2.gz OOCUHRNFMFSABP-LPHOPBHVSA-N 1 0 370.472 2.837 20 10 FFCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000920922004 990933328 /nfs/dbraw/zinc/93/33/28/990933328.db2.gz YMVUMEVBORTGFE-ZWKOTPCHSA-N 1 0 374.529 2.615 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000921118118 990979957 /nfs/dbraw/zinc/97/99/57/990979957.db2.gz KZPSYPNRMSIURT-KRWDZBQOSA-N 1 0 362.518 2.647 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@H](CC[NH3+])c3ccccc32)cc1 ZINC000923555865 991250066 /nfs/dbraw/zinc/25/00/66/991250066.db2.gz SYSHYYYAUKWQPP-SFHVURJKSA-N 1 0 366.509 2.664 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1O ZINC000879651118 1015625543 /nfs/dbraw/zinc/62/55/43/1015625543.db2.gz JFFXCSHAPAIYLT-ZDUSSCGKSA-N 1 0 353.422 2.807 20 10 FFCDRO COc1ccc(CNC(=O)CC[NH2+][C@H](C)c2ccccc2O)c(OC)c1 ZINC000879649360 1015625910 /nfs/dbraw/zinc/62/59/10/1015625910.db2.gz OPXDWADBYZCLPT-CQSZACIVSA-N 1 0 358.438 2.767 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000879648737 1015625947 /nfs/dbraw/zinc/62/59/47/1015625947.db2.gz BOBHVEXSRKOSJM-SJORKVTESA-N 1 0 353.466 2.686 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC000179890757 991367390 /nfs/dbraw/zinc/36/73/90/991367390.db2.gz CCZSFLKJAKXSDP-INIZCTEOSA-N 1 0 371.456 2.921 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000170878215 991449565 /nfs/dbraw/zinc/44/95/65/991449565.db2.gz VWCMJKRGCSSMDY-HNNXBMFYSA-N 1 0 357.454 2.893 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000068973681 991553115 /nfs/dbraw/zinc/55/31/15/991553115.db2.gz CISJJOQPFDXDJR-KRWDZBQOSA-N 1 0 360.410 2.952 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000181188357 991657600 /nfs/dbraw/zinc/65/76/00/991657600.db2.gz QPLCWTOYLNHVLU-BQULGAROSA-N 1 0 352.434 2.890 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H](C)C3CC3)CC2)cc1 ZINC000143521800 991696485 /nfs/dbraw/zinc/69/64/85/991696485.db2.gz PZAXEARWAKZQFP-QGZVFWFLSA-N 1 0 359.514 2.760 20 10 FFCDRO c1ccc(C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000181925107 991926122 /nfs/dbraw/zinc/92/61/22/991926122.db2.gz ZNSISVPUNIEMON-JOCHJYFZSA-N 1 0 352.478 2.967 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c(O)c1O ZINC000182119228 991971658 /nfs/dbraw/zinc/97/16/58/991971658.db2.gz QEKRHVOLFYCZQC-UHFFFAOYSA-N 1 0 355.438 2.800 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CCc1ccccc1 ZINC000182200142 991980792 /nfs/dbraw/zinc/98/07/92/991980792.db2.gz SDCPCPSRWQQBLO-JOCHJYFZSA-N 1 0 354.494 2.949 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000182254858 991989688 /nfs/dbraw/zinc/98/96/88/991989688.db2.gz HNKVRBTWEBBNGL-HNNXBMFYSA-N 1 0 369.465 2.791 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)cc1F ZINC000182456673 992058284 /nfs/dbraw/zinc/05/82/84/992058284.db2.gz ANCUKDWZLGDEMU-IBGZPJMESA-N 1 0 358.457 2.950 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([S@@](C)=O)cc3)c2)CC1 ZINC000185294030 993272420 /nfs/dbraw/zinc/27/24/20/993272420.db2.gz LSZIBDWCFLLOFO-AREMUKBSSA-N 1 0 371.506 2.818 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)ccc1OC ZINC000808446564 994121170 /nfs/dbraw/zinc/12/11/70/994121170.db2.gz KZTXXBHWJHEABG-DFQSSKMNSA-N 1 0 360.498 2.968 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCOCC3)C[C@H]2C)cc1C ZINC001082492140 994744635 /nfs/dbraw/zinc/74/46/35/994744635.db2.gz HCPZXQDTMVMIQM-BHIYHBOVSA-N 1 0 360.498 2.757 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cccc(F)c3F)cc2)CC1 ZINC001132899253 995193732 /nfs/dbraw/zinc/19/37/32/995193732.db2.gz QYSIPNSMEGCAGL-UHFFFAOYSA-N 1 0 373.447 2.966 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3[nH]c(C)nc3C)C[C@H]2C)cc1C ZINC001082748972 995362691 /nfs/dbraw/zinc/36/26/91/995362691.db2.gz QLDHVJWJJSGMNL-CXAGYDPISA-N 1 0 356.470 2.594 20 10 FFCDRO COCC[C@@H]1COCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000812298602 995409508 /nfs/dbraw/zinc/40/95/08/995409508.db2.gz XZZTULHRDMEKGE-OAHLLOKOSA-N 1 0 359.422 2.569 20 10 FFCDRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000812737935 995520753 /nfs/dbraw/zinc/52/07/53/995520753.db2.gz UQILCWVZEPVQLW-MRXNPFEDSA-N 1 0 354.498 2.986 20 10 FFCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n(C)c1C ZINC000812747348 995523364 /nfs/dbraw/zinc/52/33/64/995523364.db2.gz WTVBZPQQJXWWJB-OAHLLOKOSA-N 1 0 371.481 2.808 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)C[C@H]2C)cc1C ZINC001082837329 995601966 /nfs/dbraw/zinc/60/19/66/995601966.db2.gz QZBQLWRPXIWQFA-RDTXWAMCSA-N 1 0 368.481 2.854 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727226718 995723636 /nfs/dbraw/zinc/72/36/36/995723636.db2.gz NUPGGTJTUJMYKA-IAGOWNOFSA-N 1 0 362.518 2.614 20 10 FFCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501441 996978849 /nfs/dbraw/zinc/97/88/49/996978849.db2.gz KNLQBHJTMFVTEJ-UNMCSNQZSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000824681193 997050118 /nfs/dbraw/zinc/05/01/18/997050118.db2.gz FYWBPUOLVGVENI-HKUYNNGSSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC(C[NH+](C)C)CC3)C2)cc1 ZINC000824693989 997058158 /nfs/dbraw/zinc/05/81/58/997058158.db2.gz OEDJKEORTLNZKL-GOSISDBHSA-N 1 0 374.529 2.505 20 10 FFCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824710352 997065767 /nfs/dbraw/zinc/06/57/67/997065767.db2.gz XXBQAGQZWGXBEW-VQIMIIECSA-N 1 0 363.458 2.726 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000826845075 1016100614 /nfs/dbraw/zinc/10/06/14/1016100614.db2.gz DVKFLIPFDITGMW-KVPUOBJLSA-N 1 0 356.422 2.843 20 10 FFCDRO c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CCO2)nc1 ZINC000825084776 997208864 /nfs/dbraw/zinc/20/88/64/997208864.db2.gz HQMFZBRSKGEFAR-WIYYLYMNSA-N 1 0 353.466 2.928 20 10 FFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)N1c2ccccc2C[C@H]1C ZINC000825109974 997214363 /nfs/dbraw/zinc/21/43/63/997214363.db2.gz BTTSLUWNKBIRCE-OLZOCXBDSA-N 1 0 354.406 2.577 20 10 FFCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000825158694 997249129 /nfs/dbraw/zinc/24/91/29/997249129.db2.gz WMKBMLXBPVUXMN-OAQYLSRUSA-N 1 0 357.450 2.802 20 10 FFCDRO CC[C@]1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC[NH2+]1 ZINC000844172646 997693441 /nfs/dbraw/zinc/69/34/41/997693441.db2.gz LORGGUHZYKWPSK-AUSJPIAWSA-N 1 0 363.477 2.588 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000844898169 998210836 /nfs/dbraw/zinc/21/08/36/998210836.db2.gz SZFRGPBFVVDBLR-KRWDZBQOSA-N 1 0 362.518 2.505 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3[O-])CC[C@@H]21 ZINC001144308017 998304699 /nfs/dbraw/zinc/30/46/99/998304699.db2.gz GXPLWRJNWRGWBL-YGRLFVJLSA-N 1 0 371.250 2.737 20 10 FFCDRO COc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ncn1 ZINC000128886571 1016231629 /nfs/dbraw/zinc/23/16/29/1016231629.db2.gz UMDKIUCLVPGZKU-UHFFFAOYSA-N 1 0 353.470 2.629 20 10 FFCDRO O=c1oc2ccccc2n1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509548 998622056 /nfs/dbraw/zinc/62/20/56/998622056.db2.gz YJFSVZDYQWGGNA-UHFFFAOYSA-N 1 0 356.378 2.548 20 10 FFCDRO CN(C[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O)C(=O)OC(C)(C)C ZINC001144515806 998627422 /nfs/dbraw/zinc/62/74/22/998627422.db2.gz GAJSVBXXQRZTFZ-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000732468010 998674757 /nfs/dbraw/zinc/67/47/57/998674757.db2.gz YHGBDAOKCZCHSI-FQEVSTJZSA-N 1 0 374.529 2.537 20 10 FFCDRO Cc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000732678904 998741942 /nfs/dbraw/zinc/74/19/42/998741942.db2.gz NGEROIRXEHXPHY-UHFFFAOYSA-N 1 0 370.497 2.672 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000734064782 999188503 /nfs/dbraw/zinc/18/85/03/999188503.db2.gz LBDOIKAPMNGIRD-SFHVURJKSA-N 1 0 363.502 2.957 20 10 FFCDRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000734270344 999251013 /nfs/dbraw/zinc/25/10/13/999251013.db2.gz QELRBSIIYSJZLM-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000740006976 999656984 /nfs/dbraw/zinc/65/69/84/999656984.db2.gz PTTJYKGEDPFTJR-WIYYLYMNSA-N 1 0 370.493 2.764 20 10 FFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766253999 999672106 /nfs/dbraw/zinc/67/21/06/999672106.db2.gz ZDZNESKYGMIHBN-IAGOWNOFSA-N 1 0 374.529 2.788 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1F ZINC000742373527 999772555 /nfs/dbraw/zinc/77/25/55/999772555.db2.gz YVBUGMKBNAMYFK-KRWDZBQOSA-N 1 0 371.456 2.661 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ncnc4ccccc43)CC2)cc1 ZINC000742928311 999793957 /nfs/dbraw/zinc/79/39/57/999793957.db2.gz MMKPMXNQHKVLAT-UHFFFAOYSA-N 1 0 363.465 2.873 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CC2=O)cc1 ZINC001168899149 1000004906 /nfs/dbraw/zinc/00/49/06/1000004906.db2.gz CQICSDQDZVHLKS-LJQANCHMSA-N 1 0 366.461 2.911 20 10 FFCDRO COC(=O)CCn1nc(C)c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1C ZINC000845971569 1000188578 /nfs/dbraw/zinc/18/85/78/1000188578.db2.gz LREINGMGYHFNSX-GFCCVEGCSA-N 1 0 361.442 2.628 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000846168209 1000215459 /nfs/dbraw/zinc/21/54/59/1000215459.db2.gz IKNMTGVKBIXYJV-ZIAGYGMSSA-N 1 0 366.458 2.687 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000846146600 1000218555 /nfs/dbraw/zinc/21/85/55/1000218555.db2.gz RLEWGHDWWWQUFD-QRFRQXIXSA-N 1 0 370.493 2.934 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c1O ZINC000846147316 1000219682 /nfs/dbraw/zinc/21/96/82/1000219682.db2.gz VGQALANBVUZGJF-PKOBYXMFSA-N 1 0 370.493 2.995 20 10 FFCDRO Cc1ncc2n1C[C@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)CC2 ZINC000846259938 1000247085 /nfs/dbraw/zinc/24/70/85/1000247085.db2.gz CJVCSYIXGRZXBL-MAUKXSAKSA-N 1 0 354.498 2.876 20 10 FFCDRO CCOc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768437823 1000247806 /nfs/dbraw/zinc/24/78/06/1000247806.db2.gz JQVASZMXXJMZGV-LJQANCHMSA-N 1 0 370.449 2.539 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(OCc3ccccc3)CC1)[C@H](O)CO2 ZINC000768441262 1000248717 /nfs/dbraw/zinc/24/87/17/1000248717.db2.gz FRIAAEVZGDENDD-HXUWFJFHSA-N 1 0 355.434 2.999 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000768446619 1000250705 /nfs/dbraw/zinc/25/07/05/1000250705.db2.gz ZIRQZUSGSHXAGP-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc4ccccc4n3)CC1)OCO2 ZINC000768897464 1000376841 /nfs/dbraw/zinc/37/68/41/1000376841.db2.gz XADTWDRZWDNIHV-UHFFFAOYSA-N 1 0 363.417 2.991 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cn(C)c3ccccc23)cc1 ZINC000846663977 1000403676 /nfs/dbraw/zinc/40/36/76/1000403676.db2.gz TXSJHFVWKXVYDN-HXUWFJFHSA-N 1 0 364.493 2.993 20 10 FFCDRO C[C@@H](CO)[NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846701938 1000413342 /nfs/dbraw/zinc/41/33/42/1000413342.db2.gz JPUDGHIXPHCPLV-SUMWQHHRSA-N 1 0 352.394 2.704 20 10 FFCDRO Oc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000769191676 1000448067 /nfs/dbraw/zinc/44/80/67/1000448067.db2.gz HABKGDQMALHBLQ-UHFFFAOYSA-N 1 0 356.441 2.969 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000771461389 1001108317 /nfs/dbraw/zinc/10/83/17/1001108317.db2.gz QXRUVRBZGNUUGT-UHFFFAOYSA-N 1 0 366.509 2.719 20 10 FFCDRO Cn1cc(-c2ccnc(/C=C/c3ccc(N4CC[NH+](C)CC4)cc3)n2)cn1 ZINC000771529609 1001137886 /nfs/dbraw/zinc/13/78/86/1001137886.db2.gz VJOZJGLXUQWHHT-VMPITWQZSA-N 1 0 360.465 2.799 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCF)C2)cc1 ZINC001112588063 1001544497 /nfs/dbraw/zinc/54/44/97/1001544497.db2.gz FEXGUCWUGHEIAR-KSSFIOAISA-N 1 0 361.421 2.650 20 10 FFCDRO C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000787317690 1001684786 /nfs/dbraw/zinc/68/47/86/1001684786.db2.gz LUCPJCIUWKBHQI-IAGOWNOFSA-N 1 0 374.529 2.708 20 10 FFCDRO O=C1[C@H]([N@H+](Cc2ccccc2O)C2CCCC2)CCN1C1CCOCC1 ZINC000790287548 1002319209 /nfs/dbraw/zinc/31/92/09/1002319209.db2.gz JMULIMDBGUFFJC-LJQANCHMSA-N 1 0 358.482 2.917 20 10 FFCDRO Cn1nc([C@@H]2CCCOC2)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790487438 1002391578 /nfs/dbraw/zinc/39/15/78/1002391578.db2.gz MFCKNUBLXANCAT-GOSISDBHSA-N 1 0 369.513 2.678 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)C(F)F)cc2F)CC1 ZINC000792074767 1002900065 /nfs/dbraw/zinc/90/00/65/1002900065.db2.gz KYMJOUMEOZNHPY-UHFFFAOYSA-N 1 0 372.435 2.811 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c(O)c1 ZINC000792906509 1003225417 /nfs/dbraw/zinc/22/54/17/1003225417.db2.gz DKMSLMMLOBZKLG-SFHVURJKSA-N 1 0 357.454 2.811 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001186840608 1003431341 /nfs/dbraw/zinc/43/13/41/1003431341.db2.gz NARYUBMNJSEAIM-IIBYNOLFSA-N 1 0 353.466 2.823 20 10 FFCDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000793734246 1003486471 /nfs/dbraw/zinc/48/64/71/1003486471.db2.gz SVOLKTUGYGKTDV-ORAYPTAESA-N 1 0 358.413 2.668 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC000775681323 1003634801 /nfs/dbraw/zinc/63/48/01/1003634801.db2.gz OYOFSZCTHZVZST-IBGZPJMESA-N 1 0 359.514 2.745 20 10 FFCDRO C[C@H](N1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1)C(F)(F)F ZINC000775735480 1003880667 /nfs/dbraw/zinc/88/06/67/1003880667.db2.gz PFLJJYDMMXICER-INIZCTEOSA-N 1 0 370.463 2.507 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102546733 1003881634 /nfs/dbraw/zinc/88/16/34/1003881634.db2.gz DKYYXHRAACIBDX-UHFFFAOYSA-N 1 0 362.518 2.695 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000102558176 1003886010 /nfs/dbraw/zinc/88/60/10/1003886010.db2.gz AMTDEDFHGMLKLI-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804852609 1003890140 /nfs/dbraw/zinc/89/01/40/1003890140.db2.gz KVUPSQYXLJEMQV-YFZPWRCSSA-N 1 0 359.426 2.844 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000775483742 1003959726 /nfs/dbraw/zinc/95/97/26/1003959726.db2.gz SLSSLQXXFGAXAE-ALCCZGGFSA-N 1 0 359.426 2.846 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000806683377 1004387456 /nfs/dbraw/zinc/38/74/56/1004387456.db2.gz HRPOMWILANGPQQ-IBGZPJMESA-N 1 0 374.529 2.838 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000775834114 1004571415 /nfs/dbraw/zinc/57/14/15/1004571415.db2.gz KLANBNPGSXVKCA-MRXNPFEDSA-N 1 0 354.498 2.786 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCc3ccccc3CC2)cc1 ZINC001194400886 1004722918 /nfs/dbraw/zinc/72/29/18/1004722918.db2.gz NIRLBYDWPUGSSQ-UHFFFAOYSA-N 1 0 351.494 2.860 20 10 FFCDRO CC[C@H](C)COC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001194819759 1004823294 /nfs/dbraw/zinc/82/32/94/1004823294.db2.gz JEJYBIHUXUJVQK-KRWDZBQOSA-N 1 0 363.502 2.980 20 10 FFCDRO Cc1ccc(NC(=O)CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775639079 1004897786 /nfs/dbraw/zinc/89/77/86/1004897786.db2.gz NRKOANVXFOZNQY-UHFFFAOYSA-N 1 0 366.509 2.817 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC001199792666 1005029931 /nfs/dbraw/zinc/02/99/31/1005029931.db2.gz QBCVPPZTDVHPTI-WIYYLYMNSA-N 1 0 361.530 2.610 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001195790238 1005043700 /nfs/dbraw/zinc/04/37/00/1005043700.db2.gz RDKPLXQXCPEKJP-OAHLLOKOSA-N 1 0 351.491 2.976 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC001201938595 1005286138 /nfs/dbraw/zinc/28/61/38/1005286138.db2.gz BAEIFOCXBUYTSJ-LEWJYISDSA-N 1 0 364.493 2.794 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4c(c3)c(C)nn4C)C2)cc1 ZINC000850345554 1005808975 /nfs/dbraw/zinc/80/89/75/1005808975.db2.gz DRGWWAQVWQLVIJ-MRXNPFEDSA-N 1 0 351.454 2.654 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000850356148 1005810811 /nfs/dbraw/zinc/81/08/11/1005810811.db2.gz PEBWHZXVFKRACS-UHFFFAOYSA-N 1 0 372.534 2.989 20 10 FFCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000850384491 1005812380 /nfs/dbraw/zinc/81/23/80/1005812380.db2.gz MGIAOBKFLPEFJU-UYAOXDASSA-N 1 0 372.488 2.897 20 10 FFCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000850384489 1005812391 /nfs/dbraw/zinc/81/23/91/1005812391.db2.gz MGIAOBKFLPEFJU-ICSRJNTNSA-N 1 0 372.488 2.897 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850509938 1005819467 /nfs/dbraw/zinc/81/94/67/1005819467.db2.gz UCIAIRVEODOHHB-RDTXWAMCSA-N 1 0 371.437 2.718 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c1 ZINC000850556109 1005822135 /nfs/dbraw/zinc/82/21/35/1005822135.db2.gz QWRYGJBNUJJQFA-AVRDEDQJSA-N 1 0 370.493 2.615 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000851677486 1005905989 /nfs/dbraw/zinc/90/59/89/1005905989.db2.gz QMJKZHPUOCTMGZ-UHFFFAOYSA-N 1 0 368.481 2.809 20 10 FFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)cc1 ZINC000851733411 1005909541 /nfs/dbraw/zinc/90/95/41/1005909541.db2.gz UTEXOZZWVSFZKG-FFZOFVMBSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC3([NH+](C)C)CCCCC3)C2)cc1 ZINC000851938503 1005924762 /nfs/dbraw/zinc/92/47/62/1005924762.db2.gz RASAXIQPSQACOB-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000852011826 1005932813 /nfs/dbraw/zinc/93/28/13/1005932813.db2.gz ARNSCWJVVFDBCP-FUHWJXTLSA-N 1 0 374.529 2.756 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ccc(C(=O)OC)cn3)cc2F)CC1 ZINC000813592705 1005983532 /nfs/dbraw/zinc/98/35/32/1005983532.db2.gz FRKCCLJWSFSGCY-UHFFFAOYSA-N 1 0 372.444 2.761 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852664034 1006130785 /nfs/dbraw/zinc/13/07/85/1006130785.db2.gz BEEFOCVCFSCTMP-CVEARBPZSA-N 1 0 357.429 2.779 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(N4CCOC4=O)CC3)cc2)CC1 ZINC000852720314 1006157935 /nfs/dbraw/zinc/15/79/35/1006157935.db2.gz CTWXHJLOVZRIPV-UHFFFAOYSA-N 1 0 373.497 2.718 20 10 FFCDRO COc1ccccc1C(F)(F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792024 1006185974 /nfs/dbraw/zinc/18/59/74/1006185974.db2.gz PBSDPGDKFDHCLQ-INIZCTEOSA-N 1 0 363.408 2.669 20 10 FFCDRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122730 1006305925 /nfs/dbraw/zinc/30/59/25/1006305925.db2.gz UJJNZFBSDCTCCL-JOCHJYFZSA-N 1 0 354.494 2.731 20 10 FFCDRO OCc1ccnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000882153173 1006309499 /nfs/dbraw/zinc/30/94/99/1006309499.db2.gz OQOHDXISUHDNQA-UHFFFAOYSA-N 1 0 352.482 2.718 20 10 FFCDRO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000853244685 1006347647 /nfs/dbraw/zinc/34/76/47/1006347647.db2.gz BYJHBDYWYCNKES-UHFFFAOYSA-N 1 0 353.466 2.525 20 10 FFCDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCSC2)c1ccc(N2CCOCC2)cc1 ZINC000882923939 1006563713 /nfs/dbraw/zinc/56/37/13/1006563713.db2.gz QXEPNJBJGPNRRC-HNNXBMFYSA-N 1 0 372.538 2.897 20 10 FFCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000882992676 1006592240 /nfs/dbraw/zinc/59/22/40/1006592240.db2.gz DVUCDPDRCSFMKD-UHFFFAOYSA-N 1 0 367.493 2.938 20 10 FFCDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000775179283 1006619871 /nfs/dbraw/zinc/61/98/71/1006619871.db2.gz MOORTHJAOHKYJR-UHFFFAOYSA-N 1 0 367.409 2.598 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000854300393 1006765467 /nfs/dbraw/zinc/76/54/67/1006765467.db2.gz YZHYIGHUNDSOPK-FUHWJXTLSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000854301616 1006767961 /nfs/dbraw/zinc/76/79/61/1006767961.db2.gz QRXMHUXBZBNJRZ-PKOBYXMFSA-N 1 0 372.513 2.544 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1ccc(N2CCOCC2)cc1 ZINC000816543151 1007105176 /nfs/dbraw/zinc/10/51/76/1007105176.db2.gz PTNJREBPUBBDHX-HNNXBMFYSA-N 1 0 367.449 2.819 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000816545618 1007106462 /nfs/dbraw/zinc/10/64/62/1007106462.db2.gz YGIGFDRPLCZREG-UHFFFAOYSA-N 1 0 367.449 2.899 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000775256969 1007112601 /nfs/dbraw/zinc/11/26/01/1007112601.db2.gz BKACMLZYKWOYJI-QRWLVFNGSA-N 1 0 371.437 2.816 20 10 FFCDRO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257352 1007124899 /nfs/dbraw/zinc/12/48/99/1007124899.db2.gz HYVFOIXFYCTGAV-SFHVURJKSA-N 1 0 367.493 2.799 20 10 FFCDRO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775258661 1007127658 /nfs/dbraw/zinc/12/76/58/1007127658.db2.gz ILDCCZWNSVIBHV-MRXNPFEDSA-N 1 0 369.465 2.821 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2c(F)cccc2F)c1 ZINC000775373839 1007564168 /nfs/dbraw/zinc/56/41/68/1007564168.db2.gz YKKLKCDTOXRXKY-GFCCVEGCSA-N 1 0 364.392 2.689 20 10 FFCDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856211311 1007727134 /nfs/dbraw/zinc/72/71/34/1007727134.db2.gz LLWHCMBTIROLBW-UHFFFAOYSA-N 1 0 367.493 2.639 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817993299 1007840051 /nfs/dbraw/zinc/84/00/51/1007840051.db2.gz DWDDJOSGYLMBOH-IBGZPJMESA-N 1 0 355.486 2.536 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000885941014 1007844309 /nfs/dbraw/zinc/84/43/09/1007844309.db2.gz XRKUDXBJGDSUMA-HXUWFJFHSA-N 1 0 374.525 2.713 20 10 FFCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001206370215 1032257060 /nfs/dbraw/zinc/25/70/60/1032257060.db2.gz MAJPFSBJMMWDBH-SFHVURJKSA-N 1 0 355.885 2.830 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818222524 1007888180 /nfs/dbraw/zinc/88/81/80/1007888180.db2.gz UOOXEYYMVORYAH-MRXNPFEDSA-N 1 0 361.486 2.732 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000818272383 1007907357 /nfs/dbraw/zinc/90/73/57/1007907357.db2.gz PTOMPVABRZMYLP-CVEARBPZSA-N 1 0 353.466 2.971 20 10 FFCDRO CCOc1cncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000856766839 1007972353 /nfs/dbraw/zinc/97/23/53/1007972353.db2.gz CPZGHFBIDALXMZ-UHFFFAOYSA-N 1 0 355.482 2.979 20 10 FFCDRO COc1cc(CCC[NH2+]Cc2cc3c(cc2O)OCO3)cc(OC)c1O ZINC000856812092 1007986265 /nfs/dbraw/zinc/98/62/65/1007986265.db2.gz IDZGLPHDXLXEKZ-UHFFFAOYSA-N 1 0 361.394 2.566 20 10 FFCDRO CC(C)COC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002052 1008005467 /nfs/dbraw/zinc/00/54/67/1008005467.db2.gz HONHXANPEPCVEQ-KRWDZBQOSA-N 1 0 372.456 2.880 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)cc1 ZINC000857062841 1008048814 /nfs/dbraw/zinc/04/88/14/1008048814.db2.gz OBTQMJRPVUZOGC-FNEOHHHZSA-N 1 0 354.498 2.945 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]CCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000819379002 1008126881 /nfs/dbraw/zinc/12/68/81/1008126881.db2.gz BQFYGNRWSQNDSW-QGZVFWFLSA-N 1 0 374.506 2.585 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000819381602 1008128768 /nfs/dbraw/zinc/12/87/68/1008128768.db2.gz ZUCAYQMVSNFANF-TZIWHRDSSA-N 1 0 370.493 2.689 20 10 FFCDRO Fc1cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)ccc1N1CCOCC1 ZINC000858209385 1008325176 /nfs/dbraw/zinc/32/51/76/1008325176.db2.gz JQWCAVJHKSZOSZ-MRXNPFEDSA-N 1 0 372.366 2.752 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCCO1 ZINC000858225730 1008328442 /nfs/dbraw/zinc/32/84/42/1008328442.db2.gz IWXWPDVMEVDZQA-FGZHOGPDSA-N 1 0 352.478 2.879 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000858528945 1008376000 /nfs/dbraw/zinc/37/60/00/1008376000.db2.gz UOFFQOHJWMESPN-AUUYWEPGSA-N 1 0 369.440 2.876 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC000858553118 1008381167 /nfs/dbraw/zinc/38/11/67/1008381167.db2.gz XOKYYPFRPIMXQQ-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(O)c1C ZINC000858565702 1008383247 /nfs/dbraw/zinc/38/32/47/1008383247.db2.gz XNHLJJJTDRWWFV-IEBWSBKVSA-N 1 0 355.482 2.956 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000858766481 1008418478 /nfs/dbraw/zinc/41/84/78/1008418478.db2.gz NGGHAOGQKHAIIP-KRWDZBQOSA-N 1 0 351.450 2.873 20 10 FFCDRO CC[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113666 1008566226 /nfs/dbraw/zinc/56/62/26/1008566226.db2.gz HIZLXQJEUVLNGD-JVPBZIDWSA-N 1 0 355.486 2.721 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cncc(F)c1 ZINC000886324712 1008637008 /nfs/dbraw/zinc/63/70/08/1008637008.db2.gz DIKGAGXMPRTNLK-CQSZACIVSA-N 1 0 356.445 2.773 20 10 FFCDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1ccc(N3CCC(O)CC3)cc1)O2 ZINC000886335723 1008640939 /nfs/dbraw/zinc/64/09/39/1008640939.db2.gz GWTOVPLWSNFOKA-XKPGHWPRSA-N 1 0 374.525 2.710 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3nn(C)cc3Cl)cc2F)CC1 ZINC001177698168 1008719670 /nfs/dbraw/zinc/71/96/70/1008719670.db2.gz PVSGSXHTRXHXEJ-UHFFFAOYSA-N 1 0 365.884 2.644 20 10 FFCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C(C)(C)O1 ZINC000886747089 1008856679 /nfs/dbraw/zinc/85/66/79/1008856679.db2.gz KSNDIRKNXJJMGN-SFHVURJKSA-N 1 0 359.514 2.824 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823025084 1008895277 /nfs/dbraw/zinc/89/52/77/1008895277.db2.gz FXXZSZGRFZEOQT-PKOBYXMFSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000823236003 1008958147 /nfs/dbraw/zinc/95/81/47/1008958147.db2.gz XTSDUJZSXHSCCV-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000773774889 1009143820 /nfs/dbraw/zinc/14/38/20/1009143820.db2.gz VPNPZTBNNNJGEO-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001179117135 1009266130 /nfs/dbraw/zinc/26/61/30/1009266130.db2.gz YEZYYMWASKGQOI-AEFFLSMTSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1ccc(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1Cn1cccn1 ZINC001179242122 1009291267 /nfs/dbraw/zinc/29/12/67/1009291267.db2.gz BPSSULDCEPGNEI-UHFFFAOYSA-N 1 0 370.497 2.856 20 10 FFCDRO COCCNC(=O)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000887564368 1009317711 /nfs/dbraw/zinc/31/77/11/1009317711.db2.gz GOJNKEZFCVVZDY-UHFFFAOYSA-N 1 0 362.514 2.973 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000862169741 1009729031 /nfs/dbraw/zinc/72/90/31/1009729031.db2.gz AMSYSVLSYHHJGP-OAHLLOKOSA-N 1 0 355.482 2.906 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000862252567 1009765800 /nfs/dbraw/zinc/76/58/00/1009765800.db2.gz FDZWUFWDZMSCOY-FZKQIMNGSA-N 1 0 364.440 2.710 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862274724 1009776854 /nfs/dbraw/zinc/77/68/54/1009776854.db2.gz UVQMXCXVHZCGEF-KDOFPFPSSA-N 1 0 362.470 2.736 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1 ZINC000862278350 1009780955 /nfs/dbraw/zinc/78/09/55/1009780955.db2.gz GISJHQWCUOANHP-CQSZACIVSA-N 1 0 366.458 2.862 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)C3)cc2)CC1 ZINC000862482113 1009855177 /nfs/dbraw/zinc/85/51/77/1009855177.db2.gz DGHATQJVNINBDK-QHCPKHFHSA-N 1 0 365.521 2.922 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000862754288 1009958255 /nfs/dbraw/zinc/95/82/55/1009958255.db2.gz WTVLGKZCAAVOJS-MOPGFXCFSA-N 1 0 370.497 2.564 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CCF)C3)cc2)CC1 ZINC000889661293 1010044744 /nfs/dbraw/zinc/04/47/44/1010044744.db2.gz WGYDHKSJVSYWGO-SFHVURJKSA-N 1 0 362.493 2.720 20 10 FFCDRO C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889674695 1010050584 /nfs/dbraw/zinc/05/05/84/1010050584.db2.gz RXFBFCLPHNZBLX-QGZVFWFLSA-N 1 0 367.497 2.526 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCCc3cccc(C[NH3+])c32)cc1 ZINC000863553188 1010252144 /nfs/dbraw/zinc/25/21/44/1010252144.db2.gz WKHKEORHKHJWNY-UHFFFAOYSA-N 1 0 366.509 2.623 20 10 FFCDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863583032 1010261935 /nfs/dbraw/zinc/26/19/35/1010261935.db2.gz KYMZYJNLJLCZGD-DYESRHJHSA-N 1 0 360.498 2.905 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C)nn3C)C[C@H]2C)cc1C ZINC001093661508 1010428752 /nfs/dbraw/zinc/42/87/52/1010428752.db2.gz YJFJQCHYRCCAEC-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO C[NH+](C)CCn1ncc(C(=O)NCc2ccccc2O)c1-c1ccccc1 ZINC000774067350 1010454671 /nfs/dbraw/zinc/45/46/71/1010454671.db2.gz YSJHNAGBQYZSQZ-UHFFFAOYSA-N 1 0 364.449 2.747 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000794657497 1010460497 /nfs/dbraw/zinc/46/04/97/1010460497.db2.gz GMKVOJPGMOTTGX-SZNDQCEHSA-N 1 0 371.433 2.712 20 10 FFCDRO C[NH+](C)C1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000120073559 1010482907 /nfs/dbraw/zinc/48/29/07/1010482907.db2.gz SPHYQLSXUVBDBK-CQSZACIVSA-N 1 0 367.440 2.857 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3conc3C)C[C@H]2C)cc1C ZINC001094010511 1010772982 /nfs/dbraw/zinc/77/29/82/1010772982.db2.gz FMDLTVKKPNTBMH-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCC(CO)CC3)cc1)CCCC2 ZINC000865429115 1010783102 /nfs/dbraw/zinc/78/31/02/1010783102.db2.gz JDYIKTNVFPXPHC-UHFFFAOYSA-N 1 0 368.525 2.797 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c4c(nn3C)CCCC4)C2)cc1 ZINC000865608392 1010826391 /nfs/dbraw/zinc/82/63/91/1010826391.db2.gz HZWBERBYMKFXDX-INIZCTEOSA-N 1 0 354.498 2.924 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000865640157 1010832584 /nfs/dbraw/zinc/83/25/84/1010832584.db2.gz DQYLPHHUPPHCRF-UHFFFAOYSA-N 1 0 356.466 2.701 20 10 FFCDRO C[NH+]1CCC(n2cc(NCc3ccc(N4CCOCC4)cc3)cn2)CC1 ZINC000865702443 1010845178 /nfs/dbraw/zinc/84/51/78/1010845178.db2.gz BTAUPETWVJFZLY-UHFFFAOYSA-N 1 0 355.486 2.599 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCc4ncccc43)cc2)C1 ZINC000866238495 1010958849 /nfs/dbraw/zinc/95/88/49/1010958849.db2.gz PEHAWCNFRZIJLK-UTKZUKDTSA-N 1 0 364.493 2.951 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[N@@H+]1C1CC1 ZINC000121953061 1011133650 /nfs/dbraw/zinc/13/36/50/1011133650.db2.gz FWSRABBEAHCLGT-DOTOQJQBSA-N 1 0 374.554 2.664 20 10 FFCDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796262198 1011565543 /nfs/dbraw/zinc/56/55/43/1011565543.db2.gz HUGJUBNXMYLJSN-IBGZPJMESA-N 1 0 370.518 2.774 20 10 FFCDRO Cc1cc(C[N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)ccc1N(C)C ZINC001139670941 1032572886 /nfs/dbraw/zinc/57/28/86/1032572886.db2.gz GXCYYWXISVFYRR-UHFFFAOYSA-N 1 0 372.557 2.580 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000828044233 1032583870 /nfs/dbraw/zinc/58/38/70/1032583870.db2.gz MAHANMYNCQBWJC-UHFFFAOYSA-N 1 0 352.394 2.619 20 10 FFCDRO CCC(CC)C[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001275074276 1011891514 /nfs/dbraw/zinc/89/15/14/1011891514.db2.gz KTEFJPFPHAIZHG-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CCCCC[N@@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275105117 1011942068 /nfs/dbraw/zinc/94/20/68/1011942068.db2.gz AWDIZKBPGFHKON-NRFANRHFSA-N 1 0 359.514 2.746 20 10 FFCDRO COC(C)(C)CN1CCC2(CC[NH+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275238467 1012121760 /nfs/dbraw/zinc/12/17/60/1012121760.db2.gz ILJYXLAGUHSVDC-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)c1O ZINC001275241498 1012129072 /nfs/dbraw/zinc/12/90/72/1012129072.db2.gz IPTCDAPDQKKWJP-KRWDZBQOSA-N 1 0 372.387 2.920 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC(F)(F)F)C3=O)C2)c1 ZINC001275239425 1012132396 /nfs/dbraw/zinc/13/23/96/1012132396.db2.gz ZPZBSUCUMLTJAW-QGZVFWFLSA-N 1 0 370.371 2.604 20 10 FFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001275248649 1012140174 /nfs/dbraw/zinc/14/01/74/1012140174.db2.gz PXIBGNDZKNJOBH-HZPDHXFCSA-N 1 0 352.862 2.647 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001275253738 1012151652 /nfs/dbraw/zinc/15/16/52/1012151652.db2.gz FXCAMOVLDBQMDZ-VBKZILBWSA-N 1 0 360.454 2.540 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001275253736 1012153017 /nfs/dbraw/zinc/15/30/17/1012153017.db2.gz FXCAMOVLDBQMDZ-JLTOFOAXSA-N 1 0 360.454 2.540 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3O)CC2=O)c(OC)c1 ZINC001173017967 1012188767 /nfs/dbraw/zinc/18/87/67/1012188767.db2.gz OISSWXLKRVRCML-KRWDZBQOSA-N 1 0 370.449 2.690 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(O)cc2O)c1F ZINC001173181182 1012324298 /nfs/dbraw/zinc/32/42/98/1012324298.db2.gz BFOQBQNWCIVFGX-SNVBAGLBSA-N 1 0 350.346 2.875 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(=O)C(C)(C)C)C3=O)c(O)c1 ZINC001275385491 1012403174 /nfs/dbraw/zinc/40/31/74/1012403174.db2.gz HIQBYWOPNNGCGW-NRFANRHFSA-N 1 0 358.482 2.883 20 10 FFCDRO CCN1CC[C@@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2ccc(OC)cc2)C3)C1 ZINC001173356484 1012484625 /nfs/dbraw/zinc/48/46/25/1012484625.db2.gz BAZSMYIMFNGCIQ-IFMALSPDSA-N 1 0 373.541 2.708 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2F)C[C@@H](C)O1 ZINC000870869445 1012612689 /nfs/dbraw/zinc/61/26/89/1012612689.db2.gz SHEMYOQCAJVDNH-SRABZTEZSA-N 1 0 363.477 2.573 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275599149 1012671312 /nfs/dbraw/zinc/67/13/12/1012671312.db2.gz YUVDDIQACAPXQQ-IERDGZPVSA-N 1 0 357.498 2.687 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(O)c(O)c(OC)c1 ZINC001275675956 1012826256 /nfs/dbraw/zinc/82/62/56/1012826256.db2.gz LILPRDAMYRIRLI-HXUWFJFHSA-N 1 0 362.470 2.864 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CC4(C3)CO[C@H](C)C4)CC2)cc1 ZINC000924579586 1017361557 /nfs/dbraw/zinc/36/15/57/1017361557.db2.gz LJSJDYNRNKPLRJ-FLPIEVNYSA-N 1 0 373.541 2.755 20 10 FFCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924727761 1017452220 /nfs/dbraw/zinc/45/22/20/1017452220.db2.gz XIVHPYRNEWNXGA-CXAGYDPISA-N 1 0 356.470 2.844 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000827294532 1017517685 /nfs/dbraw/zinc/51/76/85/1017517685.db2.gz CQRDYVFQESTGMT-JOCHJYFZSA-N 1 0 373.541 2.598 20 10 FFCDRO C[C@H]1C[C@@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2ncnn21 ZINC000925677199 1017813905 /nfs/dbraw/zinc/81/39/05/1017813905.db2.gz ORXZDSWFDHHEAO-OXJNMPFZSA-N 1 0 366.513 2.606 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000925819734 1017860672 /nfs/dbraw/zinc/86/06/72/1017860672.db2.gz YRUBELZWRFKWKW-CQSZACIVSA-N 1 0 361.436 2.926 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1 ZINC000925899481 1017888852 /nfs/dbraw/zinc/88/88/52/1017888852.db2.gz GMEBIOBJABKXNX-HXUWFJFHSA-N 1 0 369.513 2.982 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000827655295 1018591700 /nfs/dbraw/zinc/59/17/00/1018591700.db2.gz SBYNAAQBCQMAKT-QGZVFWFLSA-N 1 0 359.514 2.779 20 10 FFCDRO COCCCn1nccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000801721551 1019296147 /nfs/dbraw/zinc/29/61/47/1019296147.db2.gz YFHQXZPMUYHYKE-QGZVFWFLSA-N 1 0 358.486 2.607 20 10 FFCDRO CC(C)n1nccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000929306912 1019357521 /nfs/dbraw/zinc/35/75/21/1019357521.db2.gz UUFAKFSQGMIDIQ-KRWDZBQOSA-N 1 0 358.490 2.954 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222259121 1032852113 /nfs/dbraw/zinc/85/21/13/1032852113.db2.gz KQCNWTNAFJRVNG-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000902085751 1019819184 /nfs/dbraw/zinc/81/91/84/1019819184.db2.gz HVQJRKCOWLJQQF-GOSISDBHSA-N 1 0 352.482 2.720 20 10 FFCDRO c1ccc(NC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000930130174 1019882905 /nfs/dbraw/zinc/88/29/05/1019882905.db2.gz XVXFZIQLMQPBPQ-UHFFFAOYSA-N 1 0 352.482 2.995 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC4(CCOCC4)[C@H]3O)CC2)cc1 ZINC000802311486 1019987896 /nfs/dbraw/zinc/98/78/96/1019987896.db2.gz TWOFEQVRIUFSRY-UTKZUKDTSA-N 1 0 374.525 2.821 20 10 FFCDRO O=c1ccccn1C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000800314851 1020209248 /nfs/dbraw/zinc/20/92/48/1020209248.db2.gz XWNPKMWLTPGNLO-QGZVFWFLSA-N 1 0 364.401 2.814 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000726706187 1020510062 /nfs/dbraw/zinc/51/00/62/1020510062.db2.gz CPDZHNQSXWHLGH-VQTJNVASSA-N 1 0 372.513 2.590 20 10 FFCDRO C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931764226 1020578302 /nfs/dbraw/zinc/57/83/02/1020578302.db2.gz OAJVCYUKXOCOTJ-SFHVURJKSA-N 1 0 352.482 2.629 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC34CCCC4)cc2)C1 ZINC000903075298 1020665437 /nfs/dbraw/zinc/66/54/37/1020665437.db2.gz SYMVMZMXTWWVHA-MJGOQNOKSA-N 1 0 357.498 2.580 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CCCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217970129 1032925928 /nfs/dbraw/zinc/92/59/28/1032925928.db2.gz ILYKDVOFNUFKBT-ZDUSSCGKSA-N 1 0 351.402 2.992 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@@H]3CCCC[NH2+]C3)c21 ZINC001217974916 1032927772 /nfs/dbraw/zinc/92/77/72/1032927772.db2.gz QXTHMOKJWHUMRQ-GFCCVEGCSA-N 1 0 366.373 2.891 20 10 FFCDRO C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000829003327 1032939743 /nfs/dbraw/zinc/93/97/43/1032939743.db2.gz MVLWDHHHIKYDBB-LPHOPBHVSA-N 1 0 360.498 2.926 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001116589225 1021297713 /nfs/dbraw/zinc/29/77/13/1021297713.db2.gz RRYZILHWHTXMRW-BFJAYTPKSA-N 1 0 354.454 2.766 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001116589229 1021298368 /nfs/dbraw/zinc/29/83/68/1021298368.db2.gz RRYZILHWHTXMRW-VDERGJSUSA-N 1 0 354.454 2.766 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222434082 1032970529 /nfs/dbraw/zinc/97/05/29/1032970529.db2.gz BMTIZNXNDGDKRT-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001116762772 1021401028 /nfs/dbraw/zinc/40/10/28/1021401028.db2.gz GYBNLABEGGBJIC-LAUBAEHRSA-N 1 0 367.493 2.990 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+]C[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218066530 1032977805 /nfs/dbraw/zinc/97/78/05/1032977805.db2.gz LTWIQFWOLVHHRU-CABCVRRESA-N 1 0 355.365 2.549 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218118675 1033005871 /nfs/dbraw/zinc/00/58/71/1033005871.db2.gz QEXFNGBJGCTTNU-VGOFRKELSA-N 1 0 363.413 2.992 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218118677 1033006352 /nfs/dbraw/zinc/00/63/52/1033006352.db2.gz QEXFNGBJGCTTNU-VGSWGCGISA-N 1 0 363.413 2.992 20 10 FFCDRO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)c1 ZINC001117642201 1021791416 /nfs/dbraw/zinc/79/14/16/1021791416.db2.gz VEGWVMXOLSNKNO-GOSISDBHSA-N 1 0 357.477 2.529 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(O)c1 ZINC001117750349 1021858647 /nfs/dbraw/zinc/85/86/47/1021858647.db2.gz HPYKLSYBVNFMGG-QKKBWIMNSA-N 1 0 367.449 2.914 20 10 FFCDRO COc1ccc(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c(O)c1 ZINC000935771460 1021862532 /nfs/dbraw/zinc/86/25/32/1021862532.db2.gz UDWRSQPEOUAYDV-UHFFFAOYSA-N 1 0 372.465 2.590 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(O)c(C(C)(C)C)c1 ZINC001118565764 1022292030 /nfs/dbraw/zinc/29/20/30/1022292030.db2.gz UGABWRILVNBENB-HNNXBMFYSA-N 1 0 358.486 2.800 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001118640646 1022332318 /nfs/dbraw/zinc/33/23/18/1022332318.db2.gz MIZZDLRFIUKMBU-AWEZNQCLSA-N 1 0 350.768 2.854 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)[C@H](C)OC)C3)cc1C ZINC001099388300 1022427387 /nfs/dbraw/zinc/42/73/87/1022427387.db2.gz DVRFPVQENIGZAE-MDKPJZGXSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000829297263 1033085039 /nfs/dbraw/zinc/08/50/39/1033085039.db2.gz ZEFHWNHIBBUTEP-UHFFFAOYSA-N 1 0 367.493 2.614 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)COc2c(C)cccc2C)c(O)c1OC ZINC001119940755 1023172490 /nfs/dbraw/zinc/17/24/90/1023172490.db2.gz LSVCKSAAQQYJHY-INIZCTEOSA-N 1 0 361.438 2.556 20 10 FFCDRO CC[C@H](C)c1nnc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000752932205 1023227956 /nfs/dbraw/zinc/22/79/56/1023227956.db2.gz ZNAIFQRSBJLLKT-JKSUJKDBSA-N 1 0 356.518 2.921 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)c(N)c2)[NH+](C)C)cc1 ZINC001120371761 1023317332 /nfs/dbraw/zinc/31/73/32/1023317332.db2.gz PWRNFUITKXOXRF-GOSISDBHSA-N 1 0 359.449 2.898 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(O)CCC2)NC(=O)OC(C)(C)C)cc1 ZINC001120481543 1023337276 /nfs/dbraw/zinc/33/72/76/1023337276.db2.gz QQRHMZQKCYDUTG-QGZVFWFLSA-N 1 0 363.502 2.823 20 10 FFCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753565665 1023353466 /nfs/dbraw/zinc/35/34/66/1023353466.db2.gz HGWULIRHCWNZTI-IBGZPJMESA-N 1 0 356.466 2.782 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218416925 1033146730 /nfs/dbraw/zinc/14/67/30/1033146730.db2.gz UUAUNKFTHWFWRL-WBMJQRKESA-N 1 0 351.402 2.853 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756434708 1023710567 /nfs/dbraw/zinc/71/05/67/1023710567.db2.gz OWLKIRUONPDLNR-MLGOLLRUSA-N 1 0 358.413 2.994 20 10 FFCDRO C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000756640484 1023739299 /nfs/dbraw/zinc/73/92/99/1023739299.db2.gz BKXPTCLTYHONIX-CQSZACIVSA-N 1 0 365.493 2.809 20 10 FFCDRO COC(=O)/C=C\c1ccc(N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000779429032 1023824455 /nfs/dbraw/zinc/82/44/55/1023824455.db2.gz NABYQWWDYXZJLN-IQCBXXCUSA-N 1 0 361.442 2.948 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001121913170 1024163372 /nfs/dbraw/zinc/16/33/72/1024163372.db2.gz AKRHLHFIQHMIKS-ZIAGYGMSSA-N 1 0 367.440 2.619 20 10 FFCDRO O=S(=O)([C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCc2ccccc21 ZINC000779609203 1024265999 /nfs/dbraw/zinc/26/59/99/1024265999.db2.gz ZUNIGJNXVUXOAN-GOSISDBHSA-N 1 0 372.490 2.749 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@]34C[C@@H]3CCCC4)CC2)cc1 ZINC001124518069 1024338919 /nfs/dbraw/zinc/33/89/19/1024338919.db2.gz REEYLYFSZBWDPT-AVRDEDQJSA-N 1 0 371.525 2.904 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC3CC[NH+](CC4CC4)CC3)ccc21 ZINC000195207347 1024960050 /nfs/dbraw/zinc/96/00/50/1024960050.db2.gz NVYXOGOBTLUAMK-UHFFFAOYSA-N 1 0 356.514 2.743 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000085401925 1025194501 /nfs/dbraw/zinc/19/45/01/1025194501.db2.gz ZWUVZFPRUYKGEC-UZLBHIALSA-N 1 0 374.529 2.646 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000085395151 1025194675 /nfs/dbraw/zinc/19/46/75/1025194675.db2.gz XGRLQIZSFAXZSS-UWVAXJGDSA-N 1 0 374.529 2.566 20 10 FFCDRO COc1ccc(CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@H](C)O)cc1 ZINC001141140447 1025507690 /nfs/dbraw/zinc/50/76/90/1025507690.db2.gz MICWNMVSOKBQKO-KRWDZBQOSA-N 1 0 370.493 2.949 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)ccc21 ZINC001141142803 1025513571 /nfs/dbraw/zinc/51/35/71/1025513571.db2.gz BNKHFPWCVLOGTG-NQIIRXRSSA-N 1 0 358.482 2.675 20 10 FFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141145357 1025521440 /nfs/dbraw/zinc/52/14/40/1025521440.db2.gz AHKGVXSUFPAWKW-MRXNPFEDSA-N 1 0 355.438 2.572 20 10 FFCDRO COC1CC[NH+](C2CCN(Cc3ccc4c(c3)OCCN4C)CC2)CC1 ZINC001141146097 1025523511 /nfs/dbraw/zinc/52/35/11/1025523511.db2.gz KKEXVWLDAMOPSQ-UHFFFAOYSA-N 1 0 359.514 2.590 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)cc1 ZINC000246293905 1025951087 /nfs/dbraw/zinc/95/10/87/1025951087.db2.gz NKTBLGFPIMDLDW-UXPWSPDFSA-N 1 0 357.498 2.655 20 10 FFCDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839508741 1026707499 /nfs/dbraw/zinc/70/74/99/1026707499.db2.gz RMNYPTRIUPMHBV-RTBURBONSA-N 1 0 359.514 2.648 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000839604081 1026754774 /nfs/dbraw/zinc/75/47/74/1026754774.db2.gz ALNACUPJNUTCRY-JTSKRJEESA-N 1 0 369.509 2.813 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839634130 1026766975 /nfs/dbraw/zinc/76/69/75/1026766975.db2.gz SQAJKVSKIJMEKK-RTWAWAEBSA-N 1 0 367.493 2.519 20 10 FFCDRO C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000839786600 1026827725 /nfs/dbraw/zinc/82/77/25/1026827725.db2.gz WEBDSAYZOOYEQX-CQSZACIVSA-N 1 0 358.413 2.831 20 10 FFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000247297079 1026863886 /nfs/dbraw/zinc/86/38/86/1026863886.db2.gz UVBPGGDFYOFRBM-ROUUACIJSA-N 1 0 356.514 2.982 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000840249357 1027019559 /nfs/dbraw/zinc/01/95/59/1027019559.db2.gz PNSPRQMHDITCSB-MRXNPFEDSA-N 1 0 358.530 2.918 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000840485390 1027089878 /nfs/dbraw/zinc/08/98/78/1027089878.db2.gz SMCHYBUONIZPGN-LAUBAEHRSA-N 1 0 358.530 2.729 20 10 FFCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761648 1027240881 /nfs/dbraw/zinc/24/08/81/1027240881.db2.gz ZJZSIJKSQVKQPO-QGZVFWFLSA-N 1 0 362.424 2.702 20 10 FFCDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093281406 1027669322 /nfs/dbraw/zinc/66/93/22/1027669322.db2.gz ZNSRORMOTBRDIW-IBGZPJMESA-N 1 0 373.541 2.898 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795691935 1027819268 /nfs/dbraw/zinc/81/92/68/1027819268.db2.gz OAMRLGLXVCHBCJ-RDJZCZTQSA-N 1 0 362.514 2.993 20 10 FFCDRO O=C(C[C@H]1CCCC[NH2+]1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534974 1028220071 /nfs/dbraw/zinc/22/00/71/1028220071.db2.gz XBCRCRGRBLJGCR-CQSZACIVSA-N 1 0 371.403 2.766 20 10 FFCDRO [NH3+][C@@H]1Cc2ccccc2N(c2nc(Cl)nc3c2CN(C2CC2)CC3)C1 ZINC001162840976 1028676389 /nfs/dbraw/zinc/67/63/89/1028676389.db2.gz AFPFYMRMUSYIJZ-CYBMUJFWSA-N 1 0 355.873 2.672 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C)C3)cc2F)CC1 ZINC000780414134 1028685541 /nfs/dbraw/zinc/68/55/41/1028685541.db2.gz BXUQACVKBBOUKW-DOTOQJQBSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nncc4ccoc43)CC2)cc1 ZINC001164330541 1029247876 /nfs/dbraw/zinc/24/78/76/1029247876.db2.gz XVBXBHBPJZSHJU-UHFFFAOYSA-N 1 0 367.453 2.856 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cnc(Cl)cn3)CC2)cc1 ZINC001164333912 1029250479 /nfs/dbraw/zinc/25/04/79/1029250479.db2.gz IDAXRTYCWGORJO-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO CCOC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C ZINC001156651816 1029286661 /nfs/dbraw/zinc/28/66/61/1029286661.db2.gz QGDCYDNZWYCQMI-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO COC(=O)c1cc(Cl)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156651892 1029289267 /nfs/dbraw/zinc/28/92/67/1029289267.db2.gz SIIHRNABMWPUKA-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO CCOC(=O)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656716 1029291989 /nfs/dbraw/zinc/29/19/89/1029291989.db2.gz ZKIUMZLAACYLCL-UHFFFAOYSA-N 1 0 354.454 2.622 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000694750833 1029838678 /nfs/dbraw/zinc/83/86/78/1029838678.db2.gz BHVZIBUAIMFZER-PKOBYXMFSA-N 1 0 369.509 2.868 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3NC4(CC4)C(=O)N3c3ccccc3)cc2)CC1 ZINC000840829171 1029889637 /nfs/dbraw/zinc/88/96/37/1029889637.db2.gz VUKKBPUPXOSALG-FQEVSTJZSA-N 1 0 362.477 2.606 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C[NH2+]C)c2)cc1 ZINC000841017565 1029977174 /nfs/dbraw/zinc/97/71/74/1029977174.db2.gz XROSEUFXEYNQLJ-UHFFFAOYSA-N 1 0 368.481 2.507 20 10 FFCDRO COC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 ZINC000783228431 1029979434 /nfs/dbraw/zinc/97/94/34/1029979434.db2.gz YSPVDEZSSQIAAC-NRFANRHFSA-N 1 0 361.530 2.612 20 10 FFCDRO Nc1ccc(CC[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)cc1 ZINC000841034018 1029992471 /nfs/dbraw/zinc/99/24/71/1029992471.db2.gz FJAKWGQHJDLVBX-UHFFFAOYSA-N 1 0 353.466 2.506 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000841103472 1030038772 /nfs/dbraw/zinc/03/87/72/1030038772.db2.gz WPHMADVDJYYWSN-CQSZACIVSA-N 1 0 355.438 2.789 20 10 FFCDRO COc1cccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c1O ZINC000697042846 1030190541 /nfs/dbraw/zinc/19/05/41/1030190541.db2.gz RMAOJMFFBLIUCE-UHFFFAOYSA-N 1 0 366.458 2.564 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000841330952 1030204574 /nfs/dbraw/zinc/20/45/74/1030204574.db2.gz DLTOZORPTWKSLG-UHFFFAOYSA-N 1 0 354.454 2.769 20 10 FFCDRO CC(C)(CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841710255 1030421839 /nfs/dbraw/zinc/42/18/39/1030421839.db2.gz VHEDEMQIPBPTHR-UHFFFAOYSA-N 1 0 366.509 2.947 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000841739691 1030437162 /nfs/dbraw/zinc/43/71/62/1030437162.db2.gz BBTOEZHEDCYQLR-OXJNMPFZSA-N 1 0 368.481 2.583 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000841793549 1030469353 /nfs/dbraw/zinc/46/93/53/1030469353.db2.gz MYGNXSIBTPJTRZ-OAQYLSRUSA-N 1 0 356.514 2.818 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841832815 1030493119 /nfs/dbraw/zinc/49/31/19/1030493119.db2.gz ULVHXKJNYDZHTF-UXHICEINSA-N 1 0 368.525 2.984 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000841857442 1030505716 /nfs/dbraw/zinc/50/57/16/1030505716.db2.gz ZCDHXLITJNGKSK-OXJNMPFZSA-N 1 0 352.482 2.774 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000841890417 1030523276 /nfs/dbraw/zinc/52/32/76/1030523276.db2.gz HSTFAPYDCKKXMN-IBGZPJMESA-N 1 0 352.482 2.633 20 10 FFCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784625922 1030725890 /nfs/dbraw/zinc/72/58/90/1030725890.db2.gz PWUMORNJBPJYCO-QGZVFWFLSA-N 1 0 362.445 2.993 20 10 FFCDRO Cc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)cc1 ZINC001142709163 1030745377 /nfs/dbraw/zinc/74/53/77/1030745377.db2.gz RBYKCSRJFFOZKG-GOSISDBHSA-N 1 0 354.450 2.902 20 10 FFCDRO Cc1cc(C(=O)CN2CCC(O)(C[NH3+])CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000842480129 1030755421 /nfs/dbraw/zinc/75/54/21/1030755421.db2.gz AQGQJICBRUMVAU-UHFFFAOYSA-N 1 0 369.509 2.679 20 10 FFCDRO CCN(C)c1nc2c(cc1C(=O)OC)CC[N@H+](Cc1ccccc1O)CC2 ZINC001203552012 1030759963 /nfs/dbraw/zinc/75/99/63/1030759963.db2.gz WWIWRLIDBIUDTM-UHFFFAOYSA-N 1 0 369.465 2.631 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)N1Cc1ccncc1 ZINC001203552033 1030761404 /nfs/dbraw/zinc/76/14/04/1030761404.db2.gz XYRSTVLXXJAHIA-NRFANRHFSA-N 1 0 351.450 2.944 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COCc2ccccn2)C1 ZINC001203552766 1030762123 /nfs/dbraw/zinc/76/21/23/1030762123.db2.gz SKUBCCGYMRILGX-KRWDZBQOSA-N 1 0 364.449 2.833 20 10 FFCDRO O=C(C[C@H]1COC2(C1)CC[NH+](Cc1ccccc1O)CC2)N1CCCC1 ZINC001203552728 1030763091 /nfs/dbraw/zinc/76/30/91/1030763091.db2.gz RRIUBSHZDPJCGH-QGZVFWFLSA-N 1 0 358.482 2.776 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203596867 1030778416 /nfs/dbraw/zinc/77/84/16/1030778416.db2.gz QFLHTFCMOIDPCQ-UHFFFAOYSA-N 1 0 356.422 2.510 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c1O ZINC001203602248 1030780897 /nfs/dbraw/zinc/78/08/97/1030780897.db2.gz LHINMOHIHSMZTC-PHZGNYQRSA-N 1 0 362.470 2.993 20 10 FFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3cc(Br)ccc3O)C2)C1=O ZINC001203642805 1030799730 /nfs/dbraw/zinc/79/97/30/1030799730.db2.gz KXNOMBLEDLFQSD-QGZVFWFLSA-N 1 0 367.287 2.989 20 10 FFCDRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658443 1030813556 /nfs/dbraw/zinc/81/35/56/1030813556.db2.gz VLNPEIQRBQSROS-LJQANCHMSA-N 1 0 372.856 2.855 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1 ZINC001203673184 1030819995 /nfs/dbraw/zinc/81/99/95/1030819995.db2.gz QAVPDITZINSGIS-UHFFFAOYSA-N 1 0 352.438 2.853 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001203678984 1030825057 /nfs/dbraw/zinc/82/50/57/1030825057.db2.gz WKQIFSGJXPPBMW-CABCVRRESA-N 1 0 354.422 2.838 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(C[C@@H](OC)c3ccccc3)CC2)c1 ZINC001203680180 1030825454 /nfs/dbraw/zinc/82/54/54/1030825454.db2.gz IWBXHSFHBSIIPF-OAQYLSRUSA-N 1 0 356.466 2.906 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203877595 1030952829 /nfs/dbraw/zinc/95/28/29/1030952829.db2.gz SOQNQZCTQJAKGI-UHFFFAOYSA-N 1 0 367.449 2.621 20 10 FFCDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccc(O)c(O)c2)n1 ZINC001203878887 1030952843 /nfs/dbraw/zinc/95/28/43/1030952843.db2.gz XLVXRSRDARWJPZ-IOMROCGXSA-N 1 0 370.449 2.750 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC001203940135 1030997265 /nfs/dbraw/zinc/99/72/65/1030997265.db2.gz VYNYUNRAPYWNFQ-KDURUIRLSA-N 1 0 351.498 2.891 20 10 FFCDRO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057641 1031165905 /nfs/dbraw/zinc/16/59/05/1031165905.db2.gz GIJYJFUDNHKPAJ-UHFFFAOYSA-N 1 0 370.497 2.863 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000843065330 1031170482 /nfs/dbraw/zinc/17/04/82/1031170482.db2.gz KTNGVFBTXMEOBU-NRFANRHFSA-N 1 0 358.457 2.858 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c(O)c1 ZINC001204272499 1031198537 /nfs/dbraw/zinc/19/85/37/1031198537.db2.gz BZNSVFXGKCLMRU-MRXNPFEDSA-N 1 0 374.412 2.834 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204272973 1031199167 /nfs/dbraw/zinc/19/91/67/1031199167.db2.gz IFMNGSWJGDRLGS-UHFFFAOYSA-N 1 0 367.449 2.621 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)c(O)c1 ZINC001204274940 1031201163 /nfs/dbraw/zinc/20/11/63/1031201163.db2.gz VRJKKMIVASWRDD-OXJNMPFZSA-N 1 0 374.412 2.834 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c(O)c1 ZINC001204274289 1031202801 /nfs/dbraw/zinc/20/28/01/1031202801.db2.gz MIRQMWCFKAXASL-AZUAARDMSA-N 1 0 356.422 2.695 20 10 FFCDRO CC[N@@H+](Cc1ccc(O)cc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001204282273 1031208193 /nfs/dbraw/zinc/20/81/93/1031208193.db2.gz OSSUVVZEYVSAHL-HXUWFJFHSA-N 1 0 356.466 2.821 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)C1CCOCC1 ZINC001204325934 1031228745 /nfs/dbraw/zinc/22/87/45/1031228745.db2.gz CGVSBRUFLOLPKW-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001204344928 1031241399 /nfs/dbraw/zinc/24/13/99/1031241399.db2.gz LNZCLQCDFSYKHQ-HDICACEKSA-N 1 0 354.450 2.670 20 10 FFCDRO COc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccc(C)o2)cc(O)c1O ZINC001204347309 1031242290 /nfs/dbraw/zinc/24/22/90/1031242290.db2.gz PNWAPPYJXUIIHH-SJORKVTESA-N 1 0 358.438 2.857 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc(O)c1O ZINC001204349430 1031245216 /nfs/dbraw/zinc/24/52/16/1031245216.db2.gz UJNROCTUWCNKGI-KDURUIRLSA-N 1 0 368.477 2.979 20 10 FFCDRO Cc1cccc(OCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000843299383 1031295996 /nfs/dbraw/zinc/29/59/96/1031295996.db2.gz SKPOTGKTYJSVTE-IBGZPJMESA-N 1 0 355.482 2.955 20 10 FFCDRO Cc1cccc(OCCNC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350540 1031343458 /nfs/dbraw/zinc/34/34/58/1031343458.db2.gz UPENZMFBDYYVBP-KRWDZBQOSA-N 1 0 367.493 2.790 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1OC ZINC000843423149 1031393736 /nfs/dbraw/zinc/39/37/36/1031393736.db2.gz XGNYGAQVLZVHEU-CYBMUJFWSA-N 1 0 371.437 2.790 20 10 FFCDRO C[C@@]1([NH3+])CCCN(Cc2cccc(I)c2O)CC1 ZINC001205288937 1031651056 /nfs/dbraw/zinc/65/10/56/1031651056.db2.gz QFHSWQXGLYUHPM-CQSZACIVSA-N 1 0 360.239 2.700 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@]3(N)CCC[NH2+]C3)cc2)cc1 ZINC001219203358 1033553163 /nfs/dbraw/zinc/55/31/63/1033553163.db2.gz GDHHCDARYJIOBS-TWKPZUECSA-N 1 0 364.493 2.942 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[NH2+]C[C@H](O)C3)cc2)cc1 ZINC001219203388 1033554464 /nfs/dbraw/zinc/55/44/64/1033554464.db2.gz GZQQTLQQJORBTL-MXHCUOCRSA-N 1 0 365.477 2.832 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCc1ccccc1C)cc2=O ZINC000830387459 1033593790 /nfs/dbraw/zinc/59/37/90/1033593790.db2.gz CYTOOTWSKULNJE-UHFFFAOYSA-N 1 0 368.437 2.595 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000830597490 1033703053 /nfs/dbraw/zinc/70/30/53/1033703053.db2.gz LCLACDSHFWYRMP-UHFFFAOYSA-N 1 0 350.462 2.889 20 10 FFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138126921 1033807412 /nfs/dbraw/zinc/80/74/12/1033807412.db2.gz MTWKCGMBNDWZSX-YLJYHZDGSA-N 1 0 371.456 2.649 20 10 FFCDRO O=C1C[C@]2(CN1C1COC1)CCCC[N@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967405 1033862017 /nfs/dbraw/zinc/86/20/17/1033862017.db2.gz LTCPGJAYBRYJOV-SFHVURJKSA-N 1 0 368.836 2.541 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c2ccccc2n1C ZINC001138255874 1034024832 /nfs/dbraw/zinc/02/48/32/1034024832.db2.gz WENMUORGTZJJOZ-SFHLNBCPSA-N 1 0 367.493 2.602 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3c(C)n(C)c4ccccc43)CC2)ncn1 ZINC001138259131 1034029999 /nfs/dbraw/zinc/02/99/99/1034029999.db2.gz CCDDHFPJJPOMKW-UHFFFAOYSA-N 1 0 351.454 2.608 20 10 FFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277026729 1034173360 /nfs/dbraw/zinc/17/33/60/1034173360.db2.gz UVTOJKMTBIUIGQ-HXUWFJFHSA-N 1 0 364.461 2.833 20 10 FFCDRO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026147 1034173401 /nfs/dbraw/zinc/17/34/01/1034173401.db2.gz LECXIWFRYHSRAL-QGZVFWFLSA-N 1 0 364.461 2.595 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026862 1034175585 /nfs/dbraw/zinc/17/55/85/1034175585.db2.gz WAGGIBQKMYKCNJ-QGZVFWFLSA-N 1 0 364.461 2.595 20 10 FFCDRO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357854 1034195503 /nfs/dbraw/zinc/19/55/03/1034195503.db2.gz WSDYMJXNTQFIHG-SFHVURJKSA-N 1 0 354.498 2.934 20 10 FFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC)c1 ZINC001138389185 1034225832 /nfs/dbraw/zinc/22/58/32/1034225832.db2.gz LKPRUHGLYIRWOI-FQEVSTJZSA-N 1 0 361.530 2.838 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(C4COC4)C3=O)C2)c1 ZINC001277056521 1034320960 /nfs/dbraw/zinc/32/09/60/1034320960.db2.gz MEAMVGXBOCJFQD-OAQYLSRUSA-N 1 0 358.482 2.513 20 10 FFCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497326 1034334723 /nfs/dbraw/zinc/33/47/23/1034334723.db2.gz FRGZGEUEJKHGIJ-QFIPXVFZSA-N 1 0 371.525 2.746 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138499702 1034340911 /nfs/dbraw/zinc/34/09/11/1034340911.db2.gz FHTLPSORXDGTCQ-MJGOQNOKSA-N 1 0 373.497 2.574 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@]3(C)CC3(C)C)CC2)cc1 ZINC001221039022 1034515915 /nfs/dbraw/zinc/51/59/15/1034515915.db2.gz MXEIMBGSHFYYTK-NRFANRHFSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)cc(O)c1O ZINC001221043460 1034520449 /nfs/dbraw/zinc/52/04/49/1034520449.db2.gz WWHUQLNJERNHRR-SFHVURJKSA-N 1 0 374.412 2.716 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465164 1034695487 /nfs/dbraw/zinc/69/54/87/1034695487.db2.gz PUDLPIFWTHEJBN-YPMHNXCESA-N 1 0 361.394 2.504 20 10 FFCDRO CCOCCOc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280542 1034699120 /nfs/dbraw/zinc/69/91/20/1034699120.db2.gz PJNWAWYXIQCKLR-IBGZPJMESA-N 1 0 371.481 2.598 20 10 FFCDRO COc1ccc(/C=C\C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832281652 1034699168 /nfs/dbraw/zinc/69/91/68/1034699168.db2.gz VHZDQEAXSOHJAJ-QPLYDRNXSA-N 1 0 369.465 2.599 20 10 FFCDRO Cc1nc2ccccc2n1CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286389 1034702356 /nfs/dbraw/zinc/70/23/56/1034702356.db2.gz ZEIIJPQAZQSZGO-GOSISDBHSA-N 1 0 365.481 2.617 20 10 FFCDRO Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299419 1034714083 /nfs/dbraw/zinc/71/40/83/1034714083.db2.gz AMHSFLPEQFKGQE-OAHLLOKOSA-N 1 0 366.387 2.905 20 10 FFCDRO Cc1nc([C@H]2COCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC001139407605 1035093094 /nfs/dbraw/zinc/09/30/94/1035093094.db2.gz IJNUYPKZCYHKCI-HXUWFJFHSA-N 1 0 372.538 2.777 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)ccc1N(C)C ZINC001139669812 1035193593 /nfs/dbraw/zinc/19/35/93/1035193593.db2.gz ANKZRQVECXXDMI-IRFCIJBXSA-N 1 0 371.525 2.567 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1=O ZINC001139671691 1035194206 /nfs/dbraw/zinc/19/42/06/1035194206.db2.gz NXTJQVHPISAVLO-OAQYLSRUSA-N 1 0 359.514 2.522 20 10 FFCDRO O=C1[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001140063117 1035327684 /nfs/dbraw/zinc/32/76/84/1035327684.db2.gz LCBKQJYSEPSGNF-CRAIPNDOSA-N 1 0 358.388 2.761 20 10 FFCDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140101821 1035341360 /nfs/dbraw/zinc/34/13/60/1035341360.db2.gz ALMFMOZIVJRSJQ-LBPRGKRZSA-N 1 0 364.243 2.906 20 10 FFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140102063 1035341514 /nfs/dbraw/zinc/34/15/14/1035341514.db2.gz IGZWZEUTFSBBAO-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO COCCN(Cc1c(O)cccc1Br)C1CC[NH+](C)CC1 ZINC001140101190 1035342068 /nfs/dbraw/zinc/34/20/68/1035342068.db2.gz LZMZKAKENZYKPH-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2c(O)cccc2Br)C(C)C)C1 ZINC001140103287 1035342742 /nfs/dbraw/zinc/34/27/42/1035342742.db2.gz HZVUWGCFKQVRTR-CYBMUJFWSA-N 1 0 355.276 2.986 20 10 FFCDRO CCOC(=O)NC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140102649 1035342965 /nfs/dbraw/zinc/34/29/65/1035342965.db2.gz VDHXBKTZOCNBFB-UHFFFAOYSA-N 1 0 357.248 2.865 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000834321032 1035362326 /nfs/dbraw/zinc/36/23/26/1035362326.db2.gz GFYYXEAILFOESL-OXJNMPFZSA-N 1 0 355.482 2.899 20 10 FFCDRO COCCN1CCOC[C@]2(CCC[N@H+](Cc3c(C)ccc(C)c3O)C2)C1 ZINC001140179161 1035369767 /nfs/dbraw/zinc/36/97/67/1035369767.db2.gz CTEWRVXNUYYBPJ-OAQYLSRUSA-N 1 0 362.514 2.570 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c1O ZINC001140179026 1035369842 /nfs/dbraw/zinc/36/98/42/1035369842.db2.gz FGKBYSDHPGJQBI-QZTJIDSGSA-N 1 0 351.450 2.608 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCN(S(C)(=O)=O)CC3)CC2)c1O ZINC001140185127 1035372190 /nfs/dbraw/zinc/37/21/90/1035372190.db2.gz PFYKWNWFKVIUQS-UHFFFAOYSA-N 1 0 366.527 2.647 20 10 FFCDRO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1OC ZINC000834512878 1035402101 /nfs/dbraw/zinc/40/21/01/1035402101.db2.gz AJSPBUNMGJAPDF-INIZCTEOSA-N 1 0 370.449 2.693 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140340358 1035444465 /nfs/dbraw/zinc/44/44/65/1035444465.db2.gz UWDZKAPQUFKRCN-KRWDZBQOSA-N 1 0 372.918 2.826 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 ZINC001140466566 1035485682 /nfs/dbraw/zinc/48/56/82/1035485682.db2.gz GTCVNIXUYLCGDZ-HNAYVOBHSA-N 1 0 362.857 2.971 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000835027954 1035490285 /nfs/dbraw/zinc/49/02/85/1035490285.db2.gz IRFFNPYMEYDQJH-FBQMEGEOSA-N 1 0 354.498 2.945 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835034774 1035490713 /nfs/dbraw/zinc/49/07/13/1035490713.db2.gz DWMPCKGQMOUTFU-PLNGDYQASA-N 1 0 373.522 2.605 20 10 FFCDRO Clc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1N1CCOCC1 ZINC001232201002 1035497038 /nfs/dbraw/zinc/49/70/38/1035497038.db2.gz FVHZKQSZHCQKQB-MRXNPFEDSA-N 1 0 361.877 2.605 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000835082003 1035518522 /nfs/dbraw/zinc/51/85/22/1035518522.db2.gz DSOBAGSCLYUERS-CQSZACIVSA-N 1 0 366.458 2.516 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000835081645 1035519969 /nfs/dbraw/zinc/51/99/69/1035519969.db2.gz AVHUWNBGELVELS-GOSISDBHSA-N 1 0 363.502 2.868 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c(O)c1 ZINC001277204409 1035525181 /nfs/dbraw/zinc/52/51/81/1035525181.db2.gz JTPXUSUGOXERNO-FQEVSTJZSA-N 1 0 355.438 2.764 20 10 FFCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261905 1035534086 /nfs/dbraw/zinc/53/40/86/1035534086.db2.gz TVSMFYDEMQIVHS-SFHVURJKSA-N 1 0 352.862 2.974 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)c(O)cc2O)N1CC(F)F ZINC001277666471 1035694617 /nfs/dbraw/zinc/69/46/17/1035694617.db2.gz UWSTUAIJQRMNTP-VXGBXAGGSA-N 1 0 360.788 2.582 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001140619315 1035741557 /nfs/dbraw/zinc/74/15/57/1035741557.db2.gz ANGVPVRNDKIOSM-OAQYLSRUSA-N 1 0 353.466 2.967 20 10 FFCDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667054 1035826352 /nfs/dbraw/zinc/82/63/52/1035826352.db2.gz HEPXEGMTCDTKHI-QGZVFWFLSA-N 1 0 364.461 2.828 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)c1O ZINC001140743938 1036033838 /nfs/dbraw/zinc/03/38/38/1036033838.db2.gz FKZRIHWLPHZNDT-WMZOPIPTSA-N 1 0 370.424 2.636 20 10 FFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(O)c(C)c1O ZINC001140748375 1036047203 /nfs/dbraw/zinc/04/72/03/1036047203.db2.gz XLYMYDQYEANQHA-MRXNPFEDSA-N 1 0 353.459 2.977 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1 ZINC001232836127 1036089289 /nfs/dbraw/zinc/08/92/89/1036089289.db2.gz LLXXJCHCGDKFSR-IYBDPMFKSA-N 1 0 361.486 2.757 20 10 FFCDRO COCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCCC1 ZINC001536533001 1069998987 /nfs/dbraw/zinc/99/89/87/1069998987.db2.gz YDXQKWKAUVWMHG-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001233273157 1036479554 /nfs/dbraw/zinc/47/95/54/1036479554.db2.gz QAWXMAXSOMRGRD-OAQYLSRUSA-N 1 0 355.482 2.883 20 10 FFCDRO CCOC(=O)c1c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c2ccccc2n1C ZINC001233272987 1036480099 /nfs/dbraw/zinc/48/00/99/1036480099.db2.gz JLZOTMPGJIOYJU-DJDHSFSDSA-N 1 0 354.450 2.964 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233291007 1036494760 /nfs/dbraw/zinc/49/47/60/1036494760.db2.gz HIHSUKFTKXWVRM-OAHLLOKOSA-N 1 0 370.877 2.514 20 10 FFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC001233291288 1036496926 /nfs/dbraw/zinc/49/69/26/1036496926.db2.gz USXZGVZDAATWDD-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@H]21 ZINC001233452702 1036634278 /nfs/dbraw/zinc/63/42/78/1036634278.db2.gz HIVLNVCBJZEWBB-WBVHZDCISA-N 1 0 372.387 2.623 20 10 FFCDRO COC[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)Cc2cn(C)nc21 ZINC001233736897 1036739148 /nfs/dbraw/zinc/73/91/48/1036739148.db2.gz SNYXYCHOBZLJQQ-ZDUSSCGKSA-N 1 0 371.359 2.770 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c(OC)c1 ZINC001141026818 1036761632 /nfs/dbraw/zinc/76/16/32/1036761632.db2.gz DYTRKDIMTUZZFM-UHFFFAOYSA-N 1 0 362.470 2.776 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCN(c3nccc4occc43)CC2)c(OC)c1 ZINC001141028243 1036765190 /nfs/dbraw/zinc/76/51/90/1036765190.db2.gz HECJKDHLMQNQGM-UHFFFAOYSA-N 1 0 369.421 2.873 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)C1=O ZINC001277814223 1036795144 /nfs/dbraw/zinc/79/51/44/1036795144.db2.gz YHWWQOQNOWWTPM-XOBRGWDASA-N 1 0 362.470 2.775 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCC[C@]23CCN(CC(C)(C)OC)C3=O)c(O)c1 ZINC001277831574 1036917925 /nfs/dbraw/zinc/91/79/25/1036917925.db2.gz ZRXNUGAQHQHUGU-OAQYLSRUSA-N 1 0 360.498 2.947 20 10 FFCDRO c1cnc(O[C@@H]2CC[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)nc1 ZINC001141079083 1036931889 /nfs/dbraw/zinc/93/18/89/1036931889.db2.gz RXJPEYUFSZJTNV-LJQANCHMSA-N 1 0 350.466 2.829 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3cccc(C)c3)CCO2)c1 ZINC001207173751 1037226915 /nfs/dbraw/zinc/22/69/15/1037226915.db2.gz BKKXVWKFRXVOTK-HXUWFJFHSA-N 1 0 356.466 2.700 20 10 FFCDRO CC(C)(C)c1cc(O)c(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)cc1Cl ZINC001235003844 1037294561 /nfs/dbraw/zinc/29/45/61/1037294561.db2.gz NRQFRDOQAHDNAV-LJQANCHMSA-N 1 0 368.905 2.534 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001235057049 1037329936 /nfs/dbraw/zinc/32/99/36/1037329936.db2.gz LJASIOGYMSKJFW-AWEZNQCLSA-N 1 0 350.203 2.980 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(N3CCOCC3)c1)CCC2 ZINC001235081769 1037352455 /nfs/dbraw/zinc/35/24/55/1037352455.db2.gz FNYDLSLMBGPXRD-UHFFFAOYSA-N 1 0 354.450 2.883 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235120488 1037373140 /nfs/dbraw/zinc/37/31/40/1037373140.db2.gz SINQTCIWIHZGGB-QFIPXVFZSA-N 1 0 368.477 2.926 20 10 FFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001277942691 1037526276 /nfs/dbraw/zinc/52/62/76/1037526276.db2.gz FIOVWRXUJWZCIU-SFHVURJKSA-N 1 0 359.514 2.977 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@H]([N@H+](C)C3CC3)C2)c1O ZINC001231556644 1037679514 /nfs/dbraw/zinc/67/95/14/1037679514.db2.gz KSSLOIRDOYXSPA-LBPRGKRZSA-N 1 0 355.276 2.832 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(Br)ccc(OC)c2O)CC12CC2 ZINC001231555928 1037679933 /nfs/dbraw/zinc/67/99/33/1037679933.db2.gz UPYVXKMTHAIEME-NSHDSACASA-N 1 0 370.243 2.548 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)c1O ZINC001231592797 1037711569 /nfs/dbraw/zinc/71/15/69/1037711569.db2.gz PVKTYFZRULHWEL-VQIMIIECSA-N 1 0 370.449 2.657 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1O ZINC001231593855 1037715900 /nfs/dbraw/zinc/71/59/00/1037715900.db2.gz LXIDKWHNVDBFIU-RTBURBONSA-N 1 0 364.445 2.850 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635723 1037753903 /nfs/dbraw/zinc/75/39/03/1037753903.db2.gz IYZUJWVVZZYSMM-ZDUSSCGKSA-N 1 0 366.458 2.795 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)c(O)cc1O ZINC001231636051 1037757142 /nfs/dbraw/zinc/75/71/42/1037757142.db2.gz PPUXVLXWTLMGEY-UHFFFAOYSA-N 1 0 355.390 2.768 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1 ZINC001207822542 1037758569 /nfs/dbraw/zinc/75/85/69/1037758569.db2.gz BFVUESCJFKDTSG-MSOLQXFVSA-N 1 0 360.523 2.807 20 10 FFCDRO COc1cc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c(O)cc1O ZINC001231636975 1037759389 /nfs/dbraw/zinc/75/93/89/1037759389.db2.gz WUCOIGUHFFVOLS-UHFFFAOYSA-N 1 0 367.405 2.757 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)cc1O ZINC001231640148 1037765837 /nfs/dbraw/zinc/76/58/37/1037765837.db2.gz PBUVBFZCDVHSMJ-YPMHNXCESA-N 1 0 352.431 2.594 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@H]([NH3+])C(F)(F)C2)c2ccccc2n1C ZINC001235915805 1037831569 /nfs/dbraw/zinc/83/15/69/1037831569.db2.gz UOHWMRRMYRGJIU-OAHLLOKOSA-N 1 0 351.397 2.523 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2ncc(F)cn2)CC1 ZINC001231857934 1037957258 /nfs/dbraw/zinc/95/72/58/1037957258.db2.gz PBCLFINCDDBEEJ-UHFFFAOYSA-N 1 0 360.433 2.734 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc3ccccc3c2O)cn1 ZINC001231878587 1037970878 /nfs/dbraw/zinc/97/08/78/1037970878.db2.gz MFUMDXNMDWDHLS-RBUKOAKNSA-N 1 0 362.433 2.659 20 10 FFCDRO CN(Cc1ccc(I)cc1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205562 1037983271 /nfs/dbraw/zinc/98/32/71/1037983271.db2.gz GUKYFURVYOHHKE-AWEZNQCLSA-N 1 0 360.239 2.571 20 10 FFCDRO C[NH2+]C1CCC([N@H+](C)Cc2ccc(I)cc2[O-])CC1 ZINC001236216268 1037988863 /nfs/dbraw/zinc/98/88/63/1037988863.db2.gz WLBBUIBSKDYFAD-UHFFFAOYSA-N 1 0 374.266 2.959 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C(C)C)[C@@H]2CC[NH2+]C2)c(O)c1 ZINC001236528815 1038119670 /nfs/dbraw/zinc/11/96/70/1038119670.db2.gz HSIIDLIWABZKGQ-QGZVFWFLSA-N 1 0 364.486 2.687 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)cc1OC ZINC001236750452 1038234574 /nfs/dbraw/zinc/23/45/74/1038234574.db2.gz GVQTUNQTINISLQ-UHFFFAOYSA-N 1 0 373.453 2.587 20 10 FFCDRO Oc1cc(CN2CC[C@@H](Oc3ccncc3)C2)c(O)cc1Br ZINC001236762930 1038250392 /nfs/dbraw/zinc/25/03/92/1038250392.db2.gz SMAJZAYTQAOUGW-CYBMUJFWSA-N 1 0 365.227 2.909 20 10 FFCDRO C[C@]1(CO)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1O ZINC001236780113 1038263863 /nfs/dbraw/zinc/26/38/63/1038263863.db2.gz YDNDXKPCDLOXPM-NHCUHLMSSA-N 1 0 357.450 2.536 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CN(CC)C(=O)[C@H]3COC)CC2)c(O)c1 ZINC001236788412 1038269790 /nfs/dbraw/zinc/26/97/90/1038269790.db2.gz TZAFWPKCWFXLGI-GOSISDBHSA-N 1 0 360.498 2.662 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c(O)c1 ZINC001236793028 1038272757 /nfs/dbraw/zinc/27/27/57/1038272757.db2.gz VHLFNPVWZSXJMH-KDURUIRLSA-N 1 0 364.445 2.572 20 10 FFCDRO CCNC(=O)COC1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236805225 1038280278 /nfs/dbraw/zinc/28/02/78/1038280278.db2.gz XSTKRFRKDNWMLG-UHFFFAOYSA-N 1 0 361.269 2.816 20 10 FFCDRO CC[NH+](CC)CC[C@@H](C)N1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001255970506 1038281946 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ZINC001251638035 1039221054 /nfs/dbraw/zinc/22/10/54/1039221054.db2.gz MHLJRYKSTXRWQK-CQSZACIVSA-N 1 0 361.335 2.913 20 10 FFCDRO COc1cc(C[C@H](C)[NH2+]CCc2ccc(O)c(O)c2)cc(OC)c1OC ZINC001258856922 1039541197 /nfs/dbraw/zinc/54/11/97/1039541197.db2.gz ROQYJXFXWSIWRN-ZDUSSCGKSA-N 1 0 361.438 2.887 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)[C@@H]2C1 ZINC001278490201 1039842359 /nfs/dbraw/zinc/84/23/59/1039842359.db2.gz COBBDGGSCLVEFS-WMLDXEAASA-N 1 0 360.889 2.968 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(C)C[NH2+]CC[C@@H]3O)n2)cc1 ZINC001247749474 1039932077 /nfs/dbraw/zinc/93/20/77/1039932077.db2.gz IFCAPIOJYPHUDE-FXAWDEMLSA-N 1 0 352.438 2.756 20 10 FFCDRO CN1CCOc2cc(CN3CC4(C3)CC[N@H+](Cc3ccc[nH]3)C4)ccc21 ZINC001278745494 1040429617 /nfs/dbraw/zinc/42/96/17/1040429617.db2.gz GIQKDUSMWGGZFN-UHFFFAOYSA-N 1 0 352.482 2.551 20 10 FFCDRO CC(C)Oc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001254017579 1040521037 /nfs/dbraw/zinc/52/10/37/1040521037.db2.gz XNZBLAPZVGEPIB-SFHVURJKSA-N 1 0 357.450 2.938 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001249201608 1040626319 /nfs/dbraw/zinc/62/63/19/1040626319.db2.gz ZZCCMYBNDDZHNV-KRWDZBQOSA-N 1 0 368.477 2.814 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001249218544 1040635235 /nfs/dbraw/zinc/63/52/35/1040635235.db2.gz YEPCTKSBZGVHRE-GOSISDBHSA-N 1 0 370.449 2.855 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC(N4CCOC4=O)CC3)ccc2O1 ZINC001249252188 1040654748 /nfs/dbraw/zinc/65/47/48/1040654748.db2.gz IHYXNKRNADDRPE-UHFFFAOYSA-N 1 0 358.438 2.993 20 10 FFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249252902 1040655024 /nfs/dbraw/zinc/65/50/24/1040655024.db2.gz ZRNIRALHWXOUAC-MRXNPFEDSA-N 1 0 373.449 2.588 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c1 ZINC001249736926 1040969597 /nfs/dbraw/zinc/96/95/97/1040969597.db2.gz DHZOTQKECKFIPB-IYBDPMFKSA-N 1 0 364.486 2.639 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)c(O)cc1O ZINC001276706206 1041029750 /nfs/dbraw/zinc/02/97/50/1041029750.db2.gz ZHHGGQHXKIAABS-HZPDHXFCSA-N 1 0 360.454 2.638 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC(C)(C)[NH3+] ZINC001262098630 1041556632 /nfs/dbraw/zinc/55/66/32/1041556632.db2.gz MKZPLRJPCVZVEP-UHFFFAOYSA-N 1 0 358.280 2.814 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)CCC1 ZINC001262379312 1041666945 /nfs/dbraw/zinc/66/69/45/1041666945.db2.gz XHEBSFZGEONTAL-XQRVVYSFSA-N 1 0 372.509 2.936 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2c[nH]c3cnccc23)[NH+](C)C)cc1 ZINC001262808073 1041868974 /nfs/dbraw/zinc/86/89/74/1041868974.db2.gz QUFBJJIUKCODMA-HXUWFJFHSA-N 1 0 365.481 2.591 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001279149949 1042920505 /nfs/dbraw/zinc/92/05/05/1042920505.db2.gz OZGGNUSKEAPTCC-QUCCMNQESA-N 1 0 353.514 2.675 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)cc1 ZINC001279150161 1042920562 /nfs/dbraw/zinc/92/05/62/1042920562.db2.gz TWELLEBUGQRRNT-UHFFFAOYSA-N 1 0 353.514 2.547 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)c1O ZINC001279314884 1042996765 /nfs/dbraw/zinc/99/67/65/1042996765.db2.gz XWTJYYAFLUKOTI-FQEVSTJZSA-N 1 0 356.470 2.617 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn[nH]c2)c(Cl)c1 ZINC001279334042 1043008517 /nfs/dbraw/zinc/00/85/17/1043008517.db2.gz ZEJAPHFXLFRBAV-OALUTQOASA-N 1 0 359.905 2.978 20 10 FFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001279361840 1043028282 /nfs/dbraw/zinc/02/82/82/1043028282.db2.gz IERGXVGEIPJJNR-JOCHJYFZSA-N 1 0 355.526 2.682 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001279395407 1043050916 /nfs/dbraw/zinc/05/09/16/1043050916.db2.gz ODGUYICBWHVEMB-OALUTQOASA-N 1 0 362.514 2.959 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001237214984 1043057862 /nfs/dbraw/zinc/05/78/62/1043057862.db2.gz IVOPZKVJHMCMPK-AZUAARDMSA-N 1 0 364.530 2.974 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)c(O)c1 ZINC001237228282 1043064346 /nfs/dbraw/zinc/06/43/46/1043064346.db2.gz IVFRXJHAAUKAGQ-IBGZPJMESA-N 1 0 374.481 2.956 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)cc1Cl ZINC001279432412 1043106239 /nfs/dbraw/zinc/10/62/39/1043106239.db2.gz DYIMFZZHRKTTSI-HKUYNNGSSA-N 1 0 361.873 2.767 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001237490225 1043204464 /nfs/dbraw/zinc/20/44/64/1043204464.db2.gz SJTDXGYRVSUZJV-HXUWFJFHSA-N 1 0 352.438 2.510 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COc1ncccn1 ZINC001237490387 1043204728 /nfs/dbraw/zinc/20/47/28/1043204728.db2.gz ULLGTDOCURQYKB-KVSKMBFKSA-N 1 0 355.438 2.549 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001237492572 1043205564 /nfs/dbraw/zinc/20/55/64/1043205564.db2.gz SLTRNFMLIQDJOR-UHFFFAOYSA-N 1 0 350.422 2.643 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001237778903 1043352313 /nfs/dbraw/zinc/35/23/13/1043352313.db2.gz CVJISFTYDDECPA-ZDUSSCGKSA-N 1 0 372.250 2.667 20 10 FFCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(I)c3O)C2)C1 ZINC001237782806 1043356549 /nfs/dbraw/zinc/35/65/49/1043356549.db2.gz IJTKYXAFXFFABE-OAHLLOKOSA-N 1 0 372.250 2.524 20 10 FFCDRO [O-]c1c(I)cccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001237788075 1043357702 /nfs/dbraw/zinc/35/77/02/1043357702.db2.gz VPCIJSHUARCBDT-SMDDNHRTSA-N 1 0 373.234 2.998 20 10 FFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)C1 ZINC001279696613 1043485640 /nfs/dbraw/zinc/48/56/40/1043485640.db2.gz BWOVDLBJZVAWEZ-UHFFFAOYSA-N 1 0 367.484 2.910 20 10 FFCDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001238045263 1043500348 /nfs/dbraw/zinc/50/03/48/1043500348.db2.gz SIUQFDIHVSIDCI-LBVBEYCISA-N 1 0 361.471 2.794 20 10 FFCDRO Cc1cc(F)cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1O ZINC001238063128 1043508445 /nfs/dbraw/zinc/50/84/45/1043508445.db2.gz XWJZOWIPUFHNMB-VQTJNVASSA-N 1 0 371.456 2.710 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)cc1C ZINC001279732222 1043547789 /nfs/dbraw/zinc/54/77/89/1043547789.db2.gz CWBMZAWDTRKWNV-IDCJVQTKSA-N 1 0 352.425 2.889 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)nc3)cc2)CC1 ZINC001310191919 1043649313 /nfs/dbraw/zinc/64/93/13/1043649313.db2.gz JLPSRMVFOXLFHZ-UHFFFAOYSA-N 1 0 359.861 2.809 20 10 FFCDRO O=C(N1CCCCO1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001279860402 1043785344 /nfs/dbraw/zinc/78/53/44/1043785344.db2.gz SRBUHGTUJVMCFJ-GHTZIAJQSA-N 1 0 355.482 2.805 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001279979710 1044024956 /nfs/dbraw/zinc/02/49/56/1044024956.db2.gz FAMVSDAULQKJRO-RXVVDRJESA-N 1 0 356.466 2.791 20 10 FFCDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC001279982232 1044031999 /nfs/dbraw/zinc/03/19/99/1044031999.db2.gz BVQPTSPYXDXMGS-LZJQFABFSA-N 1 0 367.287 2.747 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CC=CC3)C2)c1 ZINC001279986733 1044041617 /nfs/dbraw/zinc/04/16/17/1044041617.db2.gz XHHUTIBWONZMOF-GHTZIAJQSA-N 1 0 356.466 2.791 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CC=CC3)C2)c1 ZINC001279986734 1044041710 /nfs/dbraw/zinc/04/17/10/1044041710.db2.gz XHHUTIBWONZMOF-NQIIRXRSSA-N 1 0 356.466 2.791 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cn[nH]c3)C2)c(Cl)c1 ZINC001280042481 1044126217 /nfs/dbraw/zinc/12/62/17/1044126217.db2.gz DNSYGTRKOPDALT-FZKQIMNGSA-N 1 0 359.861 2.590 20 10 FFCDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)OCCN2C)C(C)C ZINC001280080329 1044181534 /nfs/dbraw/zinc/18/15/34/1044181534.db2.gz DUWKSDVYKUMCLS-LAUBAEHRSA-N 1 0 357.498 2.737 20 10 FFCDRO CCN(C(=O)[C@H]1CCSC12C[NH+](Cc1cc(O)ccc1O)C2)C(C)C ZINC001280083227 1044185360 /nfs/dbraw/zinc/18/53/60/1044185360.db2.gz OYGHIXQCWRQPEF-MRXNPFEDSA-N 1 0 364.511 2.662 20 10 FFCDRO C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1cnn(C2C[NH2+]C2)c1 ZINC001241589566 1044559207 /nfs/dbraw/zinc/55/92/07/1044559207.db2.gz MLDAKBYJJWDTND-UHFFFAOYSA-N 1 0 370.533 2.751 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000725849615 1044672969 /nfs/dbraw/zinc/67/29/69/1044672969.db2.gz RVKYJSWSHNFKEW-AWEZNQCLSA-N 1 0 362.474 2.978 20 10 FFCDRO CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318546964 1044740575 /nfs/dbraw/zinc/74/05/75/1044740575.db2.gz AYPBTJDJVUFIEA-HLNWXESRSA-N 1 0 360.498 2.803 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001319489697 1045171073 /nfs/dbraw/zinc/17/10/73/1045171073.db2.gz GZIDVLJGTJVUJC-BSIFCXSSSA-N 1 0 360.498 2.899 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC001318419096 1045296177 /nfs/dbraw/zinc/29/61/77/1045296177.db2.gz FBIUNVKYZTXFGE-UHFFFAOYSA-N 1 0 372.444 2.818 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCCN3C3CC3)cc2F)CC1 ZINC001320798265 1045470920 /nfs/dbraw/zinc/47/09/20/1045470920.db2.gz AYBVVYFFHIZFCN-LJQANCHMSA-N 1 0 360.521 2.684 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001324524488 1046080276 /nfs/dbraw/zinc/08/02/76/1046080276.db2.gz USKJMAZUUXRUTI-INIZCTEOSA-N 1 0 361.511 2.732 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@](O)(C3CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC001324722609 1046186797 /nfs/dbraw/zinc/18/67/97/1046186797.db2.gz YOGMBNXPOOCGAQ-HXUWFJFHSA-N 1 0 357.429 2.658 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324732080 1046192211 /nfs/dbraw/zinc/19/22/11/1046192211.db2.gz AUTQGZOAYZHIJK-IEBWSBKVSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC001325357650 1046482723 /nfs/dbraw/zinc/48/27/23/1046482723.db2.gz VJMQKSRPINXIEQ-QLFBSQMISA-N 1 0 354.454 2.768 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)C2)cc1 ZINC001325898061 1046679741 /nfs/dbraw/zinc/67/97/41/1046679741.db2.gz ZAMMLQBPCVYPAT-AHRSYUTCSA-N 1 0 374.529 2.694 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[NH2+]Cc4ccccc43)cc2F)CC1 ZINC001326076916 1046755970 /nfs/dbraw/zinc/75/59/70/1046755970.db2.gz SARRZJHKELICOM-UHFFFAOYSA-N 1 0 354.473 2.687 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCc4cccc(O)c43)c2)CC1 ZINC001326623255 1047005936 /nfs/dbraw/zinc/00/59/36/1047005936.db2.gz OCPCFRWVFQPGRV-FQEVSTJZSA-N 1 0 351.494 2.917 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2F)CC1 ZINC001327121415 1047196631 /nfs/dbraw/zinc/19/66/31/1047196631.db2.gz QMFHTJYYUTVJET-UYAOXDASSA-N 1 0 361.505 2.969 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(Cl)c1 ZINC001327375896 1047870627 /nfs/dbraw/zinc/87/06/27/1047870627.db2.gz OXMINHCZIWFZRF-IBGZPJMESA-N 1 0 373.840 2.698 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3CCC[N@H+](CC4CC4)C3)ccc21 ZINC001327700752 1048002345 /nfs/dbraw/zinc/00/23/45/1048002345.db2.gz UGRKFMFBVMSRMB-IBGZPJMESA-N 1 0 370.541 2.990 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC001332027137 1048219128 /nfs/dbraw/zinc/21/91/28/1048219128.db2.gz YVXKTUZTWHKWRJ-CQSZACIVSA-N 1 0 370.287 2.827 20 10 FFCDRO COC(=O)c1oc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC001328209883 1048225850 /nfs/dbraw/zinc/22/58/50/1048225850.db2.gz SHCVSVVMBADQLQ-HNNXBMFYSA-N 1 0 358.438 2.999 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(Br)cc1O)CC1CCOCC1 ZINC001328759481 1048454194 /nfs/dbraw/zinc/45/41/94/1048454194.db2.gz WHZQVMHYMRIRKS-ZDUSSCGKSA-N 1 0 358.276 2.670 20 10 FFCDRO CC(C)N1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000738440657 1048685060 /nfs/dbraw/zinc/68/50/60/1048685060.db2.gz WTDOZAMCYQIKAY-MRXNPFEDSA-N 1 0 360.458 2.684 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC(C)(C)C ZINC001329940807 1048977834 /nfs/dbraw/zinc/97/78/34/1048977834.db2.gz MPCQPRHTVVAKBI-OAHLLOKOSA-N 1 0 365.493 2.645 20 10 FFCDRO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001330315403 1049129971 /nfs/dbraw/zinc/12/99/71/1049129971.db2.gz ISUIUMHVZJZQLZ-IIBYNOLFSA-N 1 0 357.473 2.789 20 10 FFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001297562118 1050219520 /nfs/dbraw/zinc/21/95/20/1050219520.db2.gz BXJFRURTXXQLGS-SJORKVTESA-N 1 0 359.466 2.840 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCC34CC[NH2+]CC4)C2)cc1 ZINC001340721048 1051081892 /nfs/dbraw/zinc/08/18/92/1051081892.db2.gz TXCNGGYKDDABSO-FXAWDEMLSA-N 1 0 371.525 2.950 20 10 FFCDRO O=C(NCc1cc(O)ccc1O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001303226214 1051307933 /nfs/dbraw/zinc/30/79/33/1051307933.db2.gz ZENFQRMKLWXLCQ-QGZVFWFLSA-N 1 0 354.450 2.669 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC001342706225 1051322743 /nfs/dbraw/zinc/32/27/43/1051322743.db2.gz AAYAQJCQCJHJRN-SJORKVTESA-N 1 0 372.469 2.625 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CCCC1 ZINC001303801366 1051450908 /nfs/dbraw/zinc/45/09/08/1051450908.db2.gz MSYBSDFLFWREHF-KSSFIOAISA-N 1 0 355.482 2.738 20 10 FFCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001342865013 1051473450 /nfs/dbraw/zinc/47/34/50/1051473450.db2.gz WODDRXJQHKIGIK-CVEARBPZSA-N 1 0 350.459 2.631 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2CCCN(c3cc[nH+]cc3)CC2)cc1OC ZINC001343187819 1052040894 /nfs/dbraw/zinc/04/08/94/1052040894.db2.gz JHDXEORICNDOBW-UHFFFAOYSA-N 1 0 358.398 2.724 20 10 FFCDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000752936439 1052315922 /nfs/dbraw/zinc/31/59/22/1052315922.db2.gz YRPHDRRXFUGPCK-UHFFFAOYSA-N 1 0 374.485 2.981 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001308077977 1052401101 /nfs/dbraw/zinc/40/11/01/1052401101.db2.gz HZMFDFYETPSKMQ-HXUWFJFHSA-N 1 0 363.502 2.604 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccccc3OC)CC2)cc1 ZINC001308227643 1052433579 /nfs/dbraw/zinc/43/35/79/1052433579.db2.gz PZRABGWOUFPVHX-UHFFFAOYSA-N 1 0 355.482 2.616 20 10 FFCDRO Cn1cnc2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)ccc21 ZINC001308224101 1052434208 /nfs/dbraw/zinc/43/42/08/1052434208.db2.gz BNJJPNPFKCFSTD-UHFFFAOYSA-N 1 0 368.456 2.963 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001308511907 1052463230 /nfs/dbraw/zinc/46/32/30/1052463230.db2.gz GDBJXMQDYLGZCH-FQEVSTJZSA-N 1 0 362.470 2.737 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]1(CC)CC[NH2+]C1 ZINC001345780759 1052610583 /nfs/dbraw/zinc/61/05/83/1052610583.db2.gz HRRKSBAJFMMFDG-MRXNPFEDSA-N 1 0 355.276 2.893 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001345858486 1052645237 /nfs/dbraw/zinc/64/52/37/1052645237.db2.gz VWPMQZRJTAEEQU-MBOZVWFJSA-N 1 0 371.525 2.901 20 10 FFCDRO C[C@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N2CCOCC2)cc1 ZINC001346237593 1052800409 /nfs/dbraw/zinc/80/04/09/1052800409.db2.gz FPHCCJQBZASNHU-IGGJEDBVSA-N 1 0 371.525 2.821 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]2[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC001347980716 1054523397 /nfs/dbraw/zinc/52/33/97/1054523397.db2.gz MGKADABPMIGITH-IHPCNDPISA-N 1 0 374.529 2.566 20 10 FFCDRO CCc1cccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1O ZINC000848902300 1055337238 /nfs/dbraw/zinc/33/72/38/1055337238.db2.gz CFDCHEYRCZTLOY-HXUWFJFHSA-N 1 0 368.477 2.514 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@](C)(O)c1ccccc1 ZINC001349568111 1055343626 /nfs/dbraw/zinc/34/36/26/1055343626.db2.gz FCEIPOMJQJLNCK-VGSWGCGISA-N 1 0 371.500 2.963 20 10 FFCDRO CCCCCCNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849070453 1055628322 /nfs/dbraw/zinc/62/83/22/1055628322.db2.gz NFYNMRXYTUOKIA-QGZVFWFLSA-N 1 0 359.518 2.583 20 10 FFCDRO COc1c(O)c(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000849352884 1056837530 /nfs/dbraw/zinc/83/75/30/1056837530.db2.gz REFBANOTPGNJOZ-INIZCTEOSA-N 1 0 359.382 2.582 20 10 FFCDRO CCOC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001545632721 1071823058 /nfs/dbraw/zinc/82/30/58/1071823058.db2.gz TVZLRMPGGSXAOF-OAHLLOKOSA-N 1 0 354.878 2.941 20 10 FFCDRO C[N@@H+]1CC[C@@H]2CN(c3nnc(C4SC=CC4=O)n3CC3CC3)CC[C@H]21 ZINC001520579942 1059827605 /nfs/dbraw/zinc/82/76/05/1059827605.db2.gz BNWRVIAJOLZPTH-ZIAGYGMSSA-N 1 0 359.499 2.653 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001355262963 1060052786 /nfs/dbraw/zinc/05/27/86/1060052786.db2.gz FKDDKVHHXMJTGW-NLWGTHIKSA-N 1 0 358.530 2.933 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2onc3ccccc32)[NH+](C)C)cc1 ZINC001456930548 1060232712 /nfs/dbraw/zinc/23/27/12/1060232712.db2.gz HWXZFDMGAUSAAO-SFHVURJKSA-N 1 0 352.438 2.927 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)C3CC4(C3)C[C@@H]([NH3+])CCO4)cc2)CC1 ZINC001521475515 1060609360 /nfs/dbraw/zinc/60/93/60/1060609360.db2.gz AGCZFWKPUORUHP-LVIWNVNYSA-N 1 0 371.525 2.826 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001458685957 1060648797 /nfs/dbraw/zinc/64/87/97/1060648797.db2.gz YWNMDGYSMFZVCO-OAHLLOKOSA-N 1 0 363.849 2.846 20 10 FFCDRO COc1ccc(N2CCN(CC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c(OC)c1 ZINC001460661646 1061053028 /nfs/dbraw/zinc/05/30/28/1061053028.db2.gz DMHVJXPMTYLHHK-QZTJIDSGSA-N 1 0 361.530 2.804 20 10 FFCDRO CC[C@@H]1C[C@H](C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC001461111740 1061214203 /nfs/dbraw/zinc/21/42/03/1061214203.db2.gz BYCIXAVVMGSSEJ-UYAOXDASSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+]Cc3cc(C)cc(OC)c3O)CC2=O)cc1 ZINC001462416161 1061614513 /nfs/dbraw/zinc/61/45/13/1061614513.db2.gz BVFRCMLCVDCOIY-HNNXBMFYSA-N 1 0 356.422 2.613 20 10 FFCDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC001462612513 1061692103 /nfs/dbraw/zinc/69/21/03/1061692103.db2.gz JPRYGTTXZYUZCX-AWEZNQCLSA-N 1 0 355.276 2.858 20 10 FFCDRO c1ccc(C[C@@H]2COCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000768379181 1061860570 /nfs/dbraw/zinc/86/05/70/1061860570.db2.gz LWYMZSCRZMNYGA-JOCHJYFZSA-N 1 0 352.478 2.967 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001465532421 1063125330 /nfs/dbraw/zinc/12/53/30/1063125330.db2.gz BYFSXVMPISDILI-CABCVRRESA-N 1 0 369.456 2.961 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1F ZINC001465930620 1063269596 /nfs/dbraw/zinc/26/95/96/1063269596.db2.gz YURXPZIGCGMVCC-JKSUJKDBSA-N 1 0 363.477 2.603 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001496118413 1063588814 /nfs/dbraw/zinc/58/88/14/1063588814.db2.gz DWZYGEIECAUDOV-ZTNFWEORSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001497637086 1063737241 /nfs/dbraw/zinc/73/72/41/1063737241.db2.gz BZTKUNVMSHMCIF-QQGAAHRYSA-N 1 0 358.482 2.581 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCCCC3)CC2)cc1 ZINC001473296421 1065236102 /nfs/dbraw/zinc/23/61/02/1065236102.db2.gz OIGPRJXHCXCFMD-LJQANCHMSA-N 1 0 362.514 2.654 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)cc1C ZINC001474281957 1065482996 /nfs/dbraw/zinc/48/29/96/1065482996.db2.gz HENFTJKJLATGNY-NVXWUHKLSA-N 1 0 350.459 2.728 20 10 FFCDRO COC(=O)c1c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c2cc(F)ccc2n1C ZINC001474354812 1065502421 /nfs/dbraw/zinc/50/24/21/1065502421.db2.gz CZUPCXPRCLPYRK-ZHZUQJFRSA-N 1 0 360.429 2.697 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001576809451 1078276820 /nfs/dbraw/zinc/27/68/20/1078276820.db2.gz YPTHHRPHJSHMPX-APWZRJJASA-N 1 0 352.482 2.836 20 10 FFCDRO Cc1cc(F)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1N ZINC001558723089 1076063679 /nfs/dbraw/zinc/06/36/79/1076063679.db2.gz GUEOYSWZXBLHDU-GOSISDBHSA-N 1 0 358.461 2.815 20 10 FFCDRO CC(C)C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)N1CCOCC1 ZINC001560515988 1076276692 /nfs/dbraw/zinc/27/66/92/1076276692.db2.gz PNKFKXRLZBDDGH-PRPIBZDOSA-N 1 0 359.514 2.629 20 10 FFCDRO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1c(O)cccc1Br ZINC001560593452 1076282558 /nfs/dbraw/zinc/28/25/58/1076282558.db2.gz DKTQLTVCDLQSQN-GFCCVEGCSA-N 1 0 374.275 2.660 20 10 FFCDRO Oc1cc(F)c(F)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001560698874 1076292658 /nfs/dbraw/zinc/29/26/58/1076292658.db2.gz BVTUNADOOFNYBB-UHFFFAOYSA-N 1 0 368.346 2.757 20 10 FFCDRO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001560925254 1076309719 /nfs/dbraw/zinc/30/97/19/1076309719.db2.gz GQKVOQQRIXHHLI-UGSOOPFHSA-N 1 0 353.846 2.836 20 10 FFCDRO O=C(NCc1ccccc1O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001566373968 1076952933 /nfs/dbraw/zinc/95/29/33/1076952933.db2.gz OCLWPAXKHZCNEM-UGKGYDQZSA-N 1 0 366.461 2.547 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001566562338 1076968862 /nfs/dbraw/zinc/96/88/62/1076968862.db2.gz GXEQBYYHKDTMIW-KSZLIROESA-N 1 0 359.514 2.995 20 10 FFCDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc(Br)c2O)cn1 ZINC001568604983 1077102833 /nfs/dbraw/zinc/10/28/33/1077102833.db2.gz LQUBKSHERDGVOA-UHFFFAOYSA-N 1 0 364.243 2.541 20 10 FFCDRO C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589962069 1080905168 /nfs/dbraw/zinc/90/51/68/1080905168.db2.gz FQTHSDHSBHYLQC-CQSZACIVSA-N 1 0 352.442 2.662 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1C ZINC000373264700 512246146 /nfs/dbraw/zinc/24/61/46/512246146.db2.gz FSMLRMXGKBCYTF-AWEZNQCLSA-N 1 0 352.500 2.616 20 10 FFCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000054153229 506502793 /nfs/dbraw/zinc/50/27/93/506502793.db2.gz XLPFRXXCOTXMGJ-UHFFFAOYSA-N 1 0 374.506 2.942 20 10 FFCDRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000045410430 506962599 /nfs/dbraw/zinc/96/25/99/506962599.db2.gz NSMPJLGWPFSOSZ-LJQANCHMSA-N 1 0 373.497 2.710 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089629723 507852303 /nfs/dbraw/zinc/85/23/03/507852303.db2.gz PEVNQQZLTJMTSO-CQSZACIVSA-N 1 0 372.506 2.526 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108789687 507918836 /nfs/dbraw/zinc/91/88/36/507918836.db2.gz KNUFSKSRZHQNPA-OSICKASQSA-N 1 0 371.525 2.773 20 10 FFCDRO COc1cccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1O ZINC000073662283 507943465 /nfs/dbraw/zinc/94/34/65/507943465.db2.gz SXOSOMRWFBLXQH-UHFFFAOYSA-N 1 0 369.465 2.648 20 10 FFCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000074337499 508013955 /nfs/dbraw/zinc/01/39/55/508013955.db2.gz OHSDRBCGVLUEJN-UHFFFAOYSA-N 1 0 365.543 2.581 20 10 FFCDRO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093362814 508142065 /nfs/dbraw/zinc/14/20/65/508142065.db2.gz SRDQMTYAPAJHJQ-HXUWFJFHSA-N 1 0 357.498 2.500 20 10 FFCDRO CC[N@H+](CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 ZINC000102069074 508266823 /nfs/dbraw/zinc/26/68/23/508266823.db2.gz VYZXNAJIBRKPDV-SFHVURJKSA-N 1 0 361.486 2.567 20 10 FFCDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2O)s1 ZINC000105431350 508373397 /nfs/dbraw/zinc/37/33/97/508373397.db2.gz SMZXSCCROXLSJD-UHFFFAOYSA-N 1 0 368.524 2.817 20 10 FFCDRO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1C ZINC000156470271 508425643 /nfs/dbraw/zinc/42/56/43/508425643.db2.gz WVXOXZCYZORVKK-UHFFFAOYSA-N 1 0 358.486 2.761 20 10 FFCDRO CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccccc1O ZINC000156807702 508480714 /nfs/dbraw/zinc/48/07/14/508480714.db2.gz CSAZEWCBOHEVGZ-CQSZACIVSA-N 1 0 354.497 2.815 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157215109 508538816 /nfs/dbraw/zinc/53/88/16/508538816.db2.gz RAOPFHDVYADIKP-OAQYLSRUSA-N 1 0 372.557 2.661 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000119199192 508746573 /nfs/dbraw/zinc/74/65/73/508746573.db2.gz AXASLJITKWGGCN-UHFFFAOYSA-N 1 0 357.454 2.780 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Br)ccc1O ZINC000371466637 512419319 /nfs/dbraw/zinc/41/93/19/512419319.db2.gz QVQDMNDGQWEHPW-BFYDXBDKSA-N 1 0 369.303 2.838 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132187960 509003665 /nfs/dbraw/zinc/00/36/65/509003665.db2.gz PCJGKJYOGDCWTO-LPHOPBHVSA-N 1 0 358.457 2.917 20 10 FFCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1O ZINC000185449514 509183661 /nfs/dbraw/zinc/18/36/61/509183661.db2.gz MDVGUACTHQLPBJ-GFCCVEGCSA-N 1 0 357.292 2.916 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264285139 509433811 /nfs/dbraw/zinc/43/38/11/509433811.db2.gz KOIMPJWKBBMBIP-UHFFFAOYSA-N 1 0 371.481 2.717 20 10 FFCDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])s2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000192457977 509526613 /nfs/dbraw/zinc/52/66/13/509526613.db2.gz FKBKFNMUFOCIHG-SECBINFHSA-N 1 0 354.461 2.842 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2ccccc2O)N2CCOCC2)cc1OC ZINC000237338917 509626226 /nfs/dbraw/zinc/62/62/26/509626226.db2.gz PUQIZXSUFGZYRN-SFHVURJKSA-N 1 0 372.465 2.573 20 10 FFCDRO CCN(C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1)S(C)(=O)=O ZINC000180186413 509799825 /nfs/dbraw/zinc/79/98/25/509799825.db2.gz GPQMYTUVFGPBJW-UHFFFAOYSA-N 1 0 360.907 2.600 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000177522860 510112565 /nfs/dbraw/zinc/11/25/65/510112565.db2.gz MQSYTWVRQWZMOF-FFQNAWCLSA-N 1 0 357.498 2.525 20 10 FFCDRO COc1ccc(N2CCCN(Cc3nccc(OC)c3OC)CC2)cc1 ZINC000190417779 510119229 /nfs/dbraw/zinc/11/92/29/510119229.db2.gz WTVKUGJFACQOGP-UHFFFAOYSA-N 1 0 357.454 2.820 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000180925793 510185946 /nfs/dbraw/zinc/18/59/46/510185946.db2.gz MPPYNPJCJDQTOT-VQHVLOKHSA-N 1 0 366.461 2.934 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178023980 510382411 /nfs/dbraw/zinc/38/24/11/510382411.db2.gz DBDXSNWDKSBOFY-INIZCTEOSA-N 1 0 371.456 2.743 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000266185893 510452356 /nfs/dbraw/zinc/45/23/56/510452356.db2.gz WWBZUJXXKSUCPM-IBGZPJMESA-N 1 0 351.450 2.932 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)ccc1O ZINC000184916764 510581461 /nfs/dbraw/zinc/58/14/61/510581461.db2.gz SKTRLTTUJGHXQJ-SNVBAGLBSA-N 1 0 353.216 2.828 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000185123244 510697613 /nfs/dbraw/zinc/69/76/13/510697613.db2.gz SREVSRSIZALARP-NWDGAFQWSA-N 1 0 352.431 2.851 20 10 FFCDRO COCCN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185145181 510710372 /nfs/dbraw/zinc/71/03/72/510710372.db2.gz QOBCTSPCIVKIFM-LBPRGKRZSA-N 1 0 357.292 2.916 20 10 FFCDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)CC1 ZINC000270274030 510744008 /nfs/dbraw/zinc/74/40/08/510744008.db2.gz UIDFJNJNRKANHE-HXUWFJFHSA-N 1 0 368.525 2.936 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263691690 510793654 /nfs/dbraw/zinc/79/36/54/510793654.db2.gz PXCSOGIRFZEPGV-FGTMMUONSA-N 1 0 373.541 2.773 20 10 FFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)ccc1O)CC2 ZINC000185317060 510803122 /nfs/dbraw/zinc/80/31/22/510803122.db2.gz XXABVLKBICALQC-BXKDBHETSA-N 1 0 351.248 2.720 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)cc1OC ZINC000182254746 510834730 /nfs/dbraw/zinc/83/47/30/510834730.db2.gz FYUMIBVWCOJCBJ-UHFFFAOYSA-N 1 0 370.449 2.822 20 10 FFCDRO O=C1[C@@H]([N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC000247704758 510868921 /nfs/dbraw/zinc/86/89/21/510868921.db2.gz RUNUBPYZAVVBQB-CABCVRRESA-N 1 0 372.387 2.536 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1OC ZINC000279031999 511017618 /nfs/dbraw/zinc/01/76/18/511017618.db2.gz NQPFYESLBVOIAC-GFCCVEGCSA-N 1 0 369.425 2.749 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726582 511056678 /nfs/dbraw/zinc/05/66/78/511056678.db2.gz OXTAIHLPHVEURG-CABCVRRESA-N 1 0 362.861 2.934 20 10 FFCDRO CS(=O)(=O)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271046569 511067248 /nfs/dbraw/zinc/06/72/48/511067248.db2.gz RJMPSPGKJVMLHW-UHFFFAOYSA-N 1 0 360.479 2.527 20 10 FFCDRO CS(=O)(=O)[C@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000282754347 511098105 /nfs/dbraw/zinc/09/81/05/511098105.db2.gz OKBSADYIPUSZGN-SFHVURJKSA-N 1 0 361.463 2.590 20 10 FFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(N2CCCNC2=O)cc1 ZINC000291038857 511156988 /nfs/dbraw/zinc/15/69/88/511156988.db2.gz GDGKNCFVEFYYGV-ZDUSSCGKSA-N 1 0 369.421 2.891 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000298203800 511208855 /nfs/dbraw/zinc/20/88/55/511208855.db2.gz CPRSFBROQYFOOO-FUHWJXTLSA-N 1 0 351.441 2.688 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C)cc1O ZINC000280040424 511313701 /nfs/dbraw/zinc/31/37/01/511313701.db2.gz IUSWDSNPMLZKKE-GOSISDBHSA-N 1 0 363.479 2.708 20 10 FFCDRO Cc1cc(=O)n2nc(C[N@H+](Cc3ccc(N(C)C)cc3)C(C)C)sc2n1 ZINC000298710944 511383367 /nfs/dbraw/zinc/38/33/67/511383367.db2.gz KULSNLNLKMJQRJ-UHFFFAOYSA-N 1 0 371.510 2.936 20 10 FFCDRO C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292441945 511598747 /nfs/dbraw/zinc/59/87/47/511598747.db2.gz WZPGEYVQYBKCNK-SFHVURJKSA-N 1 0 372.557 2.517 20 10 FFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1O ZINC000280928767 511656232 /nfs/dbraw/zinc/65/62/32/511656232.db2.gz HZXDNOGAVZYPQD-SNVBAGLBSA-N 1 0 362.289 2.773 20 10 FFCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000365837556 511679508 /nfs/dbraw/zinc/67/95/08/511679508.db2.gz MAIQVGOGEOKFAX-QFIPXVFZSA-N 1 0 352.478 2.659 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296325231 511700131 /nfs/dbraw/zinc/70/01/31/511700131.db2.gz FZUBXEZNOPGDBD-SJLPKXTDSA-N 1 0 352.434 2.649 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncncc3Cl)CC2)cc1 ZINC000302567884 511709451 /nfs/dbraw/zinc/70/94/51/511709451.db2.gz PIPZTEBWUQEUEV-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296367472 511715956 /nfs/dbraw/zinc/71/59/56/511715956.db2.gz JBERABYFUKGERB-UONOGXRCSA-N 1 0 362.470 2.853 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C)cc1O ZINC000366419645 512013996 /nfs/dbraw/zinc/01/39/96/512013996.db2.gz SWFCEABSUIMWOQ-QGZVFWFLSA-N 1 0 352.500 2.698 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364213399 512023536 /nfs/dbraw/zinc/02/35/36/512023536.db2.gz LEJKETJEHDBVIN-DBXWQHBBSA-N 1 0 359.514 2.682 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1F ZINC000293664568 512044175 /nfs/dbraw/zinc/04/41/75/512044175.db2.gz OFEKRJMFKJKIDJ-QGZVFWFLSA-N 1 0 361.465 2.593 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1OC ZINC000373719878 512472587 /nfs/dbraw/zinc/47/25/87/512472587.db2.gz MZZXOEXISLWCMN-CKFHNAJUSA-N 1 0 351.443 2.568 20 10 FFCDRO COC(=O)N1CCC(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000367519892 512539564 /nfs/dbraw/zinc/53/95/64/512539564.db2.gz RPYNHTYNUIQUTC-UHFFFAOYSA-N 1 0 361.486 2.732 20 10 FFCDRO Cn1cc([C@H](CO)[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000367583310 512569553 /nfs/dbraw/zinc/56/95/53/512569553.db2.gz CEBJPMMZLCLKRA-NRFANRHFSA-N 1 0 362.477 2.806 20 10 FFCDRO C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378429817 512755342 /nfs/dbraw/zinc/75/53/42/512755342.db2.gz TWLLJQOCNHBUBM-VBNZEHGJSA-N 1 0 352.862 2.551 20 10 FFCDRO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000376690161 512942969 /nfs/dbraw/zinc/94/29/69/512942969.db2.gz OTJANFDDLNTSBV-UHFFFAOYSA-N 1 0 360.479 2.545 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)cc1OC ZINC000372639562 512980397 /nfs/dbraw/zinc/98/03/97/512980397.db2.gz NNXLRLMXGSWYGU-UHFFFAOYSA-N 1 0 361.417 2.656 20 10 FFCDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000370619885 513019240 /nfs/dbraw/zinc/01/92/40/513019240.db2.gz HJXUOGGNUBZJHV-MRXNPFEDSA-N 1 0 370.468 2.843 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000528721403 516646295 /nfs/dbraw/zinc/64/62/95/516646295.db2.gz PATISGBHUCNFFK-LBPRGKRZSA-N 1 0 357.410 2.766 20 10 FFCDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000529642009 517261810 /nfs/dbraw/zinc/26/18/10/517261810.db2.gz CVHDXTADFZKRCZ-QGZVFWFLSA-N 1 0 372.465 2.782 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2O)C1 ZINC000562938326 517515691 /nfs/dbraw/zinc/51/56/91/517515691.db2.gz FGAOVXHDRSYUTB-UHFFFAOYSA-N 1 0 364.449 2.569 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)ccc21 ZINC000573013970 518467236 /nfs/dbraw/zinc/46/72/36/518467236.db2.gz OSDXDFATOHXQIU-QGZVFWFLSA-N 1 0 365.424 2.632 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CO[C@@H](C)C2)C1 ZINC000566269928 519403496 /nfs/dbraw/zinc/40/34/96/519403496.db2.gz DFTZMZBGXGJDJA-HOTGVXAUSA-N 1 0 355.482 2.701 20 10 FFCDRO CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccc(OC(F)(F)F)c1 ZINC000592522603 520436447 /nfs/dbraw/zinc/43/64/47/520436447.db2.gz ATSCASULYMYGSQ-NSHDSACASA-N 1 0 368.359 2.894 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737100460 599308356 /nfs/dbraw/zinc/30/83/56/599308356.db2.gz XNVUPYAOPJDZGS-HNNXBMFYSA-N 1 0 364.453 2.759 20 10 FFCDRO [NH3+]CCCCCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000155797027 728836328 /nfs/dbraw/zinc/83/63/28/728836328.db2.gz DPMRXECOHCYFMJ-AWEZNQCLSA-N 1 0 355.429 2.892 20 10 FFCDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=CC(=O)CS1 ZINC000743813592 735321053 /nfs/dbraw/zinc/32/10/53/735321053.db2.gz BWUIHJOPZIRTSH-UHFFFAOYSA-N 1 0 361.467 2.857 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000898371828 735349916 /nfs/dbraw/zinc/34/99/16/735349916.db2.gz JNHOHONFPFAEOG-NSHDSACASA-N 1 0 369.252 2.872 20 10 FFCDRO Fc1cc(C[NH2+]CCOC2CCSCC2)ccc1N1CCOCC1 ZINC000898442429 735361680 /nfs/dbraw/zinc/36/16/80/735361680.db2.gz MXQFELHHGQJADY-UHFFFAOYSA-N 1 0 354.491 2.664 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2nccs2)[NH+](C)C)cc1 ZINC000899103313 735447751 /nfs/dbraw/zinc/44/77/51/735447751.db2.gz YWVSCNYTJPZHKK-INIZCTEOSA-N 1 0 361.515 2.653 20 10 FFCDRO CCc1cc(C[N@H+](C)CC(=O)NCCCOC)c(O)c(C(C)(C)C)c1 ZINC000068960234 728193877 /nfs/dbraw/zinc/19/38/77/728193877.db2.gz IICBOVLGKMYUDF-UHFFFAOYSA-N 1 0 350.503 2.837 20 10 FFCDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093686650 728477420 /nfs/dbraw/zinc/47/74/20/728477420.db2.gz PBFHGXDLZGGQBF-UHFFFAOYSA-N 1 0 352.450 2.826 20 10 FFCDRO CC(C)[C@H](C[NH2+]Cc1cccc(Br)c1[O-])N1CC[NH+](C)CC1 ZINC000098039230 728484133 /nfs/dbraw/zinc/48/41/33/728484133.db2.gz CIIAHEPRDHAPOG-INIZCTEOSA-N 1 0 370.335 2.516 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCSc3nccs3)CC[C@@H]21 ZINC000120976729 728618603 /nfs/dbraw/zinc/61/86/03/728618603.db2.gz GVFFUSJCIGXTSH-KBPBESRZSA-N 1 0 354.545 2.751 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCSc3nccs3)CC[C@@H]21 ZINC000120976916 728618627 /nfs/dbraw/zinc/61/86/27/728618627.db2.gz GVFFUSJCIGXTSH-KGLIPLIRSA-N 1 0 354.545 2.751 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000122799816 728651860 /nfs/dbraw/zinc/65/18/60/728651860.db2.gz BCUAKDFNGOAJHS-OAHLLOKOSA-N 1 0 361.511 2.820 20 10 FFCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000126427271 728702035 /nfs/dbraw/zinc/70/20/35/728702035.db2.gz GQAVQFFSPKMOMX-CABCVRRESA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000134263247 728729324 /nfs/dbraw/zinc/72/93/24/728729324.db2.gz DAVGGZFDUOBNMB-YJBOKZPZSA-N 1 0 352.862 2.695 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC1CC[NH+](C)CC1 ZINC000173381961 729045718 /nfs/dbraw/zinc/04/57/18/729045718.db2.gz YHTQYOQONPCEKE-UHFFFAOYSA-N 1 0 370.291 2.780 20 10 FFCDRO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)ccn1 ZINC000856625237 730347535 /nfs/dbraw/zinc/34/75/35/730347535.db2.gz DMQYWTHKXIOYJJ-MRXNPFEDSA-N 1 0 361.467 2.594 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)[C@@]12CCCO2 ZINC000858156515 730418077 /nfs/dbraw/zinc/41/80/77/730418077.db2.gz JPHYLVQDMLKNJE-XHSDSOJGSA-N 1 0 356.260 2.971 20 10 FFCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858177459 730418882 /nfs/dbraw/zinc/41/88/82/730418882.db2.gz LVEKWWBKBXFTPM-OAHLLOKOSA-N 1 0 350.409 2.905 20 10 FFCDRO FC(F)(F)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)n1cccn1 ZINC000858209558 730419802 /nfs/dbraw/zinc/41/98/02/730419802.db2.gz OFOLFNJLKHAZHR-INIZCTEOSA-N 1 0 354.376 2.613 20 10 FFCDRO CCOc1cccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000858236309 730420590 /nfs/dbraw/zinc/42/05/90/730420590.db2.gz IKPVHTNCIPCLTD-UHFFFAOYSA-N 1 0 359.413 2.838 20 10 FFCDRO CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)ccc1O ZINC000858434658 730425667 /nfs/dbraw/zinc/42/56/67/730425667.db2.gz MIMXYIRFNQSCJF-QWHCGFSZSA-N 1 0 354.248 2.663 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000862239021 730680000 /nfs/dbraw/zinc/68/00/00/730680000.db2.gz RYLBYUDVBOZYNM-AWEZNQCLSA-N 1 0 369.303 2.841 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000862251063 730681912 /nfs/dbraw/zinc/68/19/12/730681912.db2.gz ZSMHHCSFVXWRQL-CYBMUJFWSA-N 1 0 356.260 2.925 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c(O)cccc1Br ZINC000862252511 730682420 /nfs/dbraw/zinc/68/24/20/730682420.db2.gz DAQVQXYQHQWNRR-VMGRFDJRSA-N 1 0 369.303 2.838 20 10 FFCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)cn1 ZINC000862252786 730682753 /nfs/dbraw/zinc/68/27/53/730682753.db2.gz XGLNKTHDLWKMHC-GFCCVEGCSA-N 1 0 350.260 2.953 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C3CC(F)(F)C3)CC2)cc1 ZINC000862275185 730684825 /nfs/dbraw/zinc/68/48/25/730684825.db2.gz NABFDSKZCSTUFL-OAHLLOKOSA-N 1 0 353.457 2.841 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000862406207 730698120 /nfs/dbraw/zinc/69/81/20/730698120.db2.gz MNKIEMUNHYCUCK-MRXNPFEDSA-N 1 0 353.457 2.718 20 10 FFCDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000862432803 730702387 /nfs/dbraw/zinc/70/23/87/730702387.db2.gz NUOILLWXKDJNOL-UHFFFAOYSA-N 1 0 352.232 2.984 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000865532320 730966976 /nfs/dbraw/zinc/96/69/76/730966976.db2.gz YPQBETZLVAEDQZ-LBPRGKRZSA-N 1 0 367.902 2.904 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000872276065 731747910 /nfs/dbraw/zinc/74/79/10/731747910.db2.gz UAHICNHVFVTDEI-OAHLLOKOSA-N 1 0 358.511 2.824 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H](O)C(F)(F)F ZINC000873099853 731874896 /nfs/dbraw/zinc/87/48/96/731874896.db2.gz SWAGTARIKVEEFQ-GDBMZVCRSA-N 1 0 357.376 2.731 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1Cn1cccn1 ZINC000873135673 731879492 /nfs/dbraw/zinc/87/94/92/731879492.db2.gz KZSXIMIVLSEFNK-UZEJHQAJSA-N 1 0 361.511 2.719 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000873161841 731882898 /nfs/dbraw/zinc/88/28/98/731882898.db2.gz CZNITSBWVFQIMX-JTQLQIEISA-N 1 0 358.232 2.596 20 10 FFCDRO COc1cc(F)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000876507027 732253500 /nfs/dbraw/zinc/25/35/00/732253500.db2.gz UAIYNIUWEOSDNZ-MRXNPFEDSA-N 1 0 365.836 2.984 20 10 FFCDRO O=[S@@](CC[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000826866786 743458655 /nfs/dbraw/zinc/45/86/55/743458655.db2.gz DKGYVWHPYDADLL-IBGZPJMESA-N 1 0 360.195 2.555 20 10 FFCDRO CSc1cc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000881854783 733120797 /nfs/dbraw/zinc/12/07/97/733120797.db2.gz KOTGDZILFZDCSA-UHFFFAOYSA-N 1 0 359.495 2.992 20 10 FFCDRO C[NH+](C)CCn1cc(NCc2cc(Br)cc(F)c2O)cn1 ZINC000882967252 733316138 /nfs/dbraw/zinc/31/61/38/733316138.db2.gz ZTEZEYOIBLESDA-UHFFFAOYSA-N 1 0 357.227 2.664 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2c(O)cccc2Br)n(C)c1C ZINC000883343209 733370790 /nfs/dbraw/zinc/37/07/90/733370790.db2.gz DOPSMSMMDAJOMD-UHFFFAOYSA-N 1 0 367.243 2.878 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000883757708 733433710 /nfs/dbraw/zinc/43/37/10/733433710.db2.gz URJWLTNNOSCURG-CQSZACIVSA-N 1 0 354.445 2.529 20 10 FFCDRO C[NH2+]CCOc1ccccc1C(=O)NCCCSc1nccs1 ZINC000884138660 733485346 /nfs/dbraw/zinc/48/53/46/733485346.db2.gz VADQDPZLRNFOES-UHFFFAOYSA-N 1 0 351.497 2.654 20 10 FFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000886360025 733777316 /nfs/dbraw/zinc/77/73/16/733777316.db2.gz NSOJVWZSYUBHLE-BXUZGUMPSA-N 1 0 374.275 2.695 20 10 FFCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000725849198 734396355 /nfs/dbraw/zinc/39/63/55/734396355.db2.gz VVCSZDNPAYXSMD-UHFFFAOYSA-N 1 0 354.497 2.774 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C(F)(F)c2nccs2)[NH+](C)C)cc1 ZINC000891247192 734404000 /nfs/dbraw/zinc/40/40/00/734404000.db2.gz GVTSGKPXGJYTLU-AWEZNQCLSA-N 1 0 368.453 2.720 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@]2(C)Br)[NH+](C)C)cc1 ZINC000891248122 734404579 /nfs/dbraw/zinc/40/45/79/734404579.db2.gz VWMGPYBVWDUIII-HLLBOEOZSA-N 1 0 368.319 2.645 20 10 FFCDRO CC[C@H](C)NC(=S)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730156792 734618776 /nfs/dbraw/zinc/61/87/76/734618776.db2.gz NBQKTLLLNAYQRR-AWEZNQCLSA-N 1 0 352.523 2.730 20 10 FFCDRO C[N@@H+]1CCN(CCCNC(=O)C2=CC(=O)CS2)[C@H](c2ccccc2)C1 ZINC000731869863 734702035 /nfs/dbraw/zinc/70/20/35/734702035.db2.gz XMMBZODURVAVTA-KRWDZBQOSA-N 1 0 359.495 2.562 20 10 FFCDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)C[C@@H](C)O1 ZINC000731869066 734702133 /nfs/dbraw/zinc/70/21/33/734702133.db2.gz KALCWPXNPVYZFN-ZIAGYGMSSA-N 1 0 360.479 2.993 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000893707079 734739938 /nfs/dbraw/zinc/73/99/38/734739938.db2.gz MPNKDMXPRNGRSP-ZBFHGGJFSA-N 1 0 354.445 2.842 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C/C=C\c3ccccc3)cc2)CC1 ZINC000733330972 734809918 /nfs/dbraw/zinc/80/99/18/734809918.db2.gz VSRYDOKHCHDOJW-DAXSKMNVSA-N 1 0 356.491 2.724 20 10 FFCDRO Oc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1F ZINC000894843017 734926209 /nfs/dbraw/zinc/92/62/09/734926209.db2.gz HGCYPGMJFPBZLZ-UHFFFAOYSA-N 1 0 352.356 2.936 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000895525366 735018608 /nfs/dbraw/zinc/01/86/08/735018608.db2.gz UVNLNTDRXNOAHH-LBPRGKRZSA-N 1 0 354.447 2.802 20 10 FFCDRO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C[C@@H]2C1 ZINC000895575380 735026316 /nfs/dbraw/zinc/02/63/16/735026316.db2.gz CEMCZYIGNPTQSD-GASCZTMLSA-N 1 0 355.404 2.682 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)cc(OC)c2O)n(C)c1C ZINC000895647626 735036418 /nfs/dbraw/zinc/03/64/18/735036418.db2.gz XDYHQXUXWROPRZ-UHFFFAOYSA-N 1 0 352.818 2.778 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677107 735039773 /nfs/dbraw/zinc/03/97/73/735039773.db2.gz HPCGACPDWNKUFQ-SECBINFHSA-N 1 0 364.108 2.803 20 10 FFCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000895842159 735063227 /nfs/dbraw/zinc/06/32/27/735063227.db2.gz BVQKRLPUGSNNAM-GFCCVEGCSA-N 1 0 354.166 2.901 20 10 FFCDRO COc1ccc(C[NH2+]CCn2nc(C(F)(F)F)cc2C)c(O)c1OC ZINC000896268450 735128703 /nfs/dbraw/zinc/12/87/03/735128703.db2.gz CZFYZIOUZGQLGL-UHFFFAOYSA-N 1 0 359.348 2.723 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCS1 ZINC000896705493 735180651 /nfs/dbraw/zinc/18/06/51/735180651.db2.gz MNFOSNLWQDRQFZ-KYJSFNMBSA-N 1 0 364.559 2.939 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000742373911 735234589 /nfs/dbraw/zinc/23/45/89/735234589.db2.gz KWSAIOMGRFANOJ-UHFFFAOYSA-N 1 0 354.248 2.922 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1O ZINC000903212308 736055628 /nfs/dbraw/zinc/05/56/28/736055628.db2.gz WKGQEGJUXSQQJF-GHMZBOCLSA-N 1 0 371.275 2.682 20 10 FFCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCSC1 ZINC000903310079 736073592 /nfs/dbraw/zinc/07/35/92/736073592.db2.gz JVOCGDVFSBHWAQ-KSSFIOAISA-N 1 0 354.491 2.835 20 10 FFCDRO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccccc1O ZINC000903324736 736076241 /nfs/dbraw/zinc/07/62/41/736076241.db2.gz JGVSNHMEPAXFCJ-TVQRCGJNSA-N 1 0 362.227 2.764 20 10 FFCDRO CC[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000905146238 736302165 /nfs/dbraw/zinc/30/21/65/736302165.db2.gz RNVVKPNKIHYZHT-INIZCTEOSA-N 1 0 364.383 2.580 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000756051493 736302385 /nfs/dbraw/zinc/30/23/85/736302385.db2.gz XKAMZZHVXWPCIK-ZDUSSCGKSA-N 1 0 370.515 2.644 20 10 FFCDRO COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756407856 736328613 /nfs/dbraw/zinc/32/86/13/736328613.db2.gz FWIVYKRYBIAQCZ-LLVKDONJSA-N 1 0 363.271 2.913 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(Br)cc1O ZINC000756430402 736330797 /nfs/dbraw/zinc/33/07/97/736330797.db2.gz HFVSJPNZIBCTKV-NSHDSACASA-N 1 0 374.242 2.981 20 10 FFCDRO COCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756766806 736360151 /nfs/dbraw/zinc/36/01/51/736360151.db2.gz ZSXJCFFWXIOPQN-IUODEOHRSA-N 1 0 350.434 2.697 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)CS(C)(=O)=O ZINC000757842408 736430535 /nfs/dbraw/zinc/43/05/35/736430535.db2.gz QRDDOTNDWGZNNB-NSHDSACASA-N 1 0 364.305 2.657 20 10 FFCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764845203 737055735 /nfs/dbraw/zinc/05/57/35/737055735.db2.gz OZNJNBMAYNZUJF-CQSZACIVSA-N 1 0 353.894 2.742 20 10 FFCDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000764906253 737061255 /nfs/dbraw/zinc/06/12/55/737061255.db2.gz YZFKEYUFQSWAAH-OAHLLOKOSA-N 1 0 371.522 2.748 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccs1 ZINC000765976814 737179279 /nfs/dbraw/zinc/17/92/79/737179279.db2.gz ARJYSUKADGHVJC-AWEZNQCLSA-N 1 0 350.509 2.834 20 10 FFCDRO C[C@@H]1COCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077275 737396124 /nfs/dbraw/zinc/39/61/24/737396124.db2.gz GIARLXKCUPAHIZ-KBRIMQKVSA-N 1 0 366.889 2.799 20 10 FFCDRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000768342144 737414852 /nfs/dbraw/zinc/41/48/52/737414852.db2.gz PZSGCRUXRFSHNE-LJQANCHMSA-N 1 0 365.543 2.581 20 10 FFCDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCCC1 ZINC000769403551 737524892 /nfs/dbraw/zinc/52/48/92/737524892.db2.gz DKEHJUOVRFKSHL-CYBMUJFWSA-N 1 0 367.287 2.989 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000773018106 737863956 /nfs/dbraw/zinc/86/39/56/737863956.db2.gz UXRBOTIHGLPQDZ-QFBILLFUSA-N 1 0 366.527 2.609 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000775779701 738124011 /nfs/dbraw/zinc/12/40/11/738124011.db2.gz FAPBJSKVNFMTEU-KRWDZBQOSA-N 1 0 361.511 2.541 20 10 FFCDRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000775826784 738129567 /nfs/dbraw/zinc/12/95/67/738129567.db2.gz HMMHCWOQUQTLCK-HNNXBMFYSA-N 1 0 362.495 2.886 20 10 FFCDRO Cc1cc(F)ccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000776174788 738168039 /nfs/dbraw/zinc/16/80/39/738168039.db2.gz SWYJEVJSTCSHMM-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000776220291 738172507 /nfs/dbraw/zinc/17/25/07/738172507.db2.gz KIDHZNDEZANHCL-CUOATXAZSA-N 1 0 353.260 2.562 20 10 FFCDRO COCC[N@H+](Cc1scnc1C)Cc1cc(OC)c(OC)cc1O ZINC000787311133 739125846 /nfs/dbraw/zinc/12/58/46/739125846.db2.gz SFWHOGMBAJZAEO-UHFFFAOYSA-N 1 0 352.456 2.823 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000793019444 739731767 /nfs/dbraw/zinc/73/17/67/739731767.db2.gz QBODWVUUDVZBGV-UHFFFAOYSA-N 1 0 357.336 2.666 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c(C(F)(F)F)c1 ZINC000793073752 739737172 /nfs/dbraw/zinc/73/71/72/739737172.db2.gz KQWLEBHODLHCRM-UHFFFAOYSA-N 1 0 357.376 2.846 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2(CCO)CCN(C)CC2)c(C(F)(F)F)c1 ZINC000793079647 739737837 /nfs/dbraw/zinc/73/78/37/739737837.db2.gz PDSOPULJAYTVHQ-UHFFFAOYSA-N 1 0 359.436 2.708 20 10 FFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Br)cc1O ZINC000794826983 739933793 /nfs/dbraw/zinc/93/37/93/739933793.db2.gz FEXMLWSBVYVQGK-JTQLQIEISA-N 1 0 362.289 2.773 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797095562 740211507 /nfs/dbraw/zinc/21/15/07/740211507.db2.gz DECNJCKLNJPRQA-CRAIPNDOSA-N 1 0 353.532 2.607 20 10 FFCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000799348817 740411500 /nfs/dbraw/zinc/41/15/00/740411500.db2.gz QVJKGGORVOJMMS-XMMPIXPASA-N 1 0 351.472 2.586 20 10 FFCDRO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000800519564 740531214 /nfs/dbraw/zinc/53/12/14/740531214.db2.gz RTRPVQAPIJCYQO-URLYELCFSA-N 1 0 366.889 2.940 20 10 FFCDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000801734611 740646546 /nfs/dbraw/zinc/64/65/46/740646546.db2.gz GAYUFZJPKKVYJY-INIZCTEOSA-N 1 0 361.511 2.599 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804871897 740912389 /nfs/dbraw/zinc/91/23/89/740912389.db2.gz WNHWDRNMWFIHPR-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(Br)cc1O ZINC000806178884 741045689 /nfs/dbraw/zinc/04/56/89/741045689.db2.gz KLSHRNAFQIUCMI-WCQYABFASA-N 1 0 351.244 2.976 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC000806183710 741045869 /nfs/dbraw/zinc/04/58/69/741045869.db2.gz VPFUMLLCWAZKOD-HIFRSBDPSA-N 1 0 364.442 2.645 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C1(S(C)(=O)=O)CC1 ZINC000809704238 741334180 /nfs/dbraw/zinc/33/41/80/741334180.db2.gz WXGNLCUMMLIVEV-NSHDSACASA-N 1 0 364.433 2.827 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000809720520 741336646 /nfs/dbraw/zinc/33/66/46/741336646.db2.gz CWSQEEQRARHPLR-VHSXEESVSA-N 1 0 352.435 2.698 20 10 FFCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810209779 741398214 /nfs/dbraw/zinc/39/82/14/741398214.db2.gz VRUSDTWDIRQXRT-ZDUSSCGKSA-N 1 0 360.376 2.734 20 10 FFCDRO CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(C(F)(F)F)cc1O ZINC000810244093 741400669 /nfs/dbraw/zinc/40/06/69/741400669.db2.gz OOTNVSNMQWLRKI-CQSZACIVSA-N 1 0 358.364 2.626 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]1n1cccn1 ZINC000815167139 741908302 /nfs/dbraw/zinc/90/83/02/741908302.db2.gz SDJBVPAMKAWNHQ-FVQBIDKESA-N 1 0 366.259 2.860 20 10 FFCDRO Oc1c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)ccc2ccccc21 ZINC000816537559 742040142 /nfs/dbraw/zinc/04/01/42/742040142.db2.gz JACDEULIGOPNPU-HXUWFJFHSA-N 1 0 358.507 2.843 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817410843 742139311 /nfs/dbraw/zinc/13/93/11/742139311.db2.gz IMYGWDVICRTPNE-HAQNSBGRSA-N 1 0 355.276 2.844 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817413265 742139701 /nfs/dbraw/zinc/13/97/01/742139701.db2.gz VDIPDWSEQCKGLV-XYPYZODXSA-N 1 0 371.275 2.545 20 10 FFCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000818349848 742266149 /nfs/dbraw/zinc/26/61/49/742266149.db2.gz IFUYTBIHPVNZBL-SNVBAGLBSA-N 1 0 350.278 2.630 20 10 FFCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825297979 743244280 /nfs/dbraw/zinc/24/42/80/743244280.db2.gz RILZCTYYUAZYPX-UHFFFAOYSA-N 1 0 367.243 2.966 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccccc1Br)OCO2 ZINC000825337693 743250870 /nfs/dbraw/zinc/25/08/70/743250870.db2.gz IFYOWXYLIUQPJY-AWEZNQCLSA-N 1 0 366.211 2.707 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)[C@@]12CCCO2 ZINC000825514652 743285931 /nfs/dbraw/zinc/28/59/31/743285931.db2.gz REXXLCJJHXIWMB-OAGGEKHMSA-N 1 0 356.260 2.971 20 10 FFCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1O ZINC000825726566 743318717 /nfs/dbraw/zinc/31/87/17/743318717.db2.gz SDYPZPKFRIHABV-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826130439 743369448 /nfs/dbraw/zinc/36/94/48/743369448.db2.gz IAPSZLACAVRPJW-HUUCEWRRSA-N 1 0 350.503 2.585 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000827133389 743515377 /nfs/dbraw/zinc/51/53/77/743515377.db2.gz UJIDWLZIUHHEFP-CZUORRHYSA-N 1 0 355.404 2.872 20 10 FFCDRO O=C(/C=C\[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827310535 743552808 /nfs/dbraw/zinc/55/28/08/743552808.db2.gz PKRBHWAWGQQVCV-LQTRPERUSA-N 1 0 364.873 2.719 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827549825 743599005 /nfs/dbraw/zinc/59/90/05/743599005.db2.gz VJJLOBHLAJEACV-MRXNPFEDSA-N 1 0 369.303 2.806 20 10 FFCDRO CCC[C@@](C)([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657533 745399011 /nfs/dbraw/zinc/39/90/11/745399011.db2.gz JAHLTLWZUZCAFG-SCLBCKFNSA-N 1 0 355.429 2.891 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000830755301 745425657 /nfs/dbraw/zinc/42/56/57/745425657.db2.gz GQDAILRZJIAPNW-MRXNPFEDSA-N 1 0 358.511 2.872 20 10 FFCDRO CCOc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000832274539 745669723 /nfs/dbraw/zinc/66/97/23/745669723.db2.gz VBCIYVWHAQTEPM-MRXNPFEDSA-N 1 0 362.861 2.630 20 10 FFCDRO Cc1cc(Br)oc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272303 745669850 /nfs/dbraw/zinc/66/98/50/745669850.db2.gz DZWMJCQASHOSSX-CYBMUJFWSA-N 1 0 366.259 2.846 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000832293262 745673646 /nfs/dbraw/zinc/67/36/46/745673646.db2.gz SPFMUTBYAGQMEG-ZDUSSCGKSA-N 1 0 353.253 2.884 20 10 FFCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834527206 745854109 /nfs/dbraw/zinc/85/41/09/745854109.db2.gz YKFFYYJGFKDHMA-KRWDZBQOSA-N 1 0 360.479 2.856 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834913946 745923447 /nfs/dbraw/zinc/92/34/47/745923447.db2.gz JORVFAJHUPEOPA-VHRBIJSZSA-N 1 0 353.260 2.959 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000835053975 745940397 /nfs/dbraw/zinc/94/03/97/745940397.db2.gz GGSKMRDXAFGUJV-FUTAKVPZSA-N 1 0 356.491 2.927 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000840937096 747234475 /nfs/dbraw/zinc/23/44/75/747234475.db2.gz HAXXLRLOZRVFRT-JTQLQIEISA-N 1 0 350.768 2.854 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840946592 747238198 /nfs/dbraw/zinc/23/81/98/747238198.db2.gz AFGRORFMKDQDKY-UHFFFAOYSA-N 1 0 370.921 2.913 20 10 FFCDRO [NH3+]C1(CNC(=O)NCc2cc(Br)ccc2O)CCCCC1 ZINC000841922750 747487126 /nfs/dbraw/zinc/48/71/26/747487126.db2.gz PHLZJTDNNVSUBN-UHFFFAOYSA-N 1 0 356.264 2.616 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000842784818 747687306 /nfs/dbraw/zinc/68/73/06/747687306.db2.gz MINOUJLHFKUSDF-MRXNPFEDSA-N 1 0 371.865 2.523 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000842786676 747688055 /nfs/dbraw/zinc/68/80/55/747688055.db2.gz UTDYMIKVYPSLCY-INIZCTEOSA-N 1 0 371.865 2.523 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843433123 747836989 /nfs/dbraw/zinc/83/69/89/747836989.db2.gz UIWQDNWHMFQPAV-AWEZNQCLSA-N 1 0 350.768 2.854 20 10 FFCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000843489085 747844607 /nfs/dbraw/zinc/84/46/07/747844607.db2.gz DJKDHJFQDQUNHK-CQSZACIVSA-N 1 0 370.877 2.571 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000844903448 748133260 /nfs/dbraw/zinc/13/32/60/748133260.db2.gz ZFPLKQRMWHSFTQ-JGGQBBKZSA-N 1 0 369.303 2.873 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844911583 748134443 /nfs/dbraw/zinc/13/44/43/748134443.db2.gz PGWNGRNZMQEVIB-IIAWOOMASA-N 1 0 369.849 2.815 20 10 FFCDRO CCC[C@H](C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000845851561 748337636 /nfs/dbraw/zinc/33/76/36/748337636.db2.gz GQMGPAXWBBKWIA-HNNXBMFYSA-N 1 0 371.522 2.576 20 10 FFCDRO CN(CC[NH+]1CCCCC1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000846701068 748525730 /nfs/dbraw/zinc/52/57/30/748525730.db2.gz PNTVEXYBJOMRLP-UHFFFAOYSA-N 1 0 358.511 2.874 20 10 FFCDRO COCCN1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850078143 749297886 /nfs/dbraw/zinc/29/78/86/749297886.db2.gz UYLCAEGLWFEROZ-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850369085 749354492 /nfs/dbraw/zinc/35/44/92/749354492.db2.gz HEMVQNARTLONBV-TZMCWYRMSA-N 1 0 355.500 2.754 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000850406331 749360562 /nfs/dbraw/zinc/36/05/62/749360562.db2.gz BVWFAEDYOHEPJP-UHFFFAOYSA-N 1 0 354.376 2.679 20 10 FFCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC(F)(F)CC1 ZINC000850404314 749360681 /nfs/dbraw/zinc/36/06/81/749360681.db2.gz GMFQMQQBHOITLE-UHFFFAOYSA-N 1 0 358.404 2.692 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000043004087 845092619 /nfs/dbraw/zinc/09/26/19/845092619.db2.gz HDYVLIOZOHVATK-UHFFFAOYSA-N 1 0 364.559 2.771 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)Cc2ccccc21 ZINC000895660409 970818319 /nfs/dbraw/zinc/81/83/19/970818319.db2.gz QPIFBKAPRDUPCE-INIZCTEOSA-N 1 0 357.406 2.682 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275838403 1013062835 /nfs/dbraw/zinc/06/28/35/1013062835.db2.gz WYTSNHMGDUBIAE-LJQANCHMSA-N 1 0 364.873 2.815 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826298207 947862782 /nfs/dbraw/zinc/86/27/82/947862782.db2.gz IQFYJQSAGBSOQZ-UHFFFAOYSA-N 1 0 364.453 2.593 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000237266529 971551373 /nfs/dbraw/zinc/55/13/73/971551373.db2.gz PWTRCTDHAJBTAC-HOTGVXAUSA-N 1 0 363.477 2.509 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cn[nH]c2)C1 ZINC000683482307 960772441 /nfs/dbraw/zinc/77/24/41/960772441.db2.gz GJMBBYPXAUKZBI-UHFFFAOYSA-N 1 0 365.481 2.790 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)CC2CC2)C1 ZINC000683498536 960793793 /nfs/dbraw/zinc/79/37/93/960793793.db2.gz NAHGJGCPUHVRIP-QGZVFWFLSA-N 1 0 369.509 2.685 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000160323879 961807784 /nfs/dbraw/zinc/80/77/84/961807784.db2.gz VSAUGLPPRJBGGF-CRAIPNDOSA-N 1 0 369.465 2.863 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1Cn1cccn1 ZINC000873010745 1013345764 /nfs/dbraw/zinc/34/57/64/1013345764.db2.gz OABDXHNFMIQTKC-UHFFFAOYSA-N 1 0 370.497 2.677 20 10 FFCDRO CN(C)Cc1c(F)cc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1F ZINC001167378648 962528040 /nfs/dbraw/zinc/52/80/40/962528040.db2.gz YXQNGMOICKJSEW-UHFFFAOYSA-N 1 0 361.436 2.761 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCC3(CCC3)O2)[NH+](C)C)cc1 ZINC000891243312 962538696 /nfs/dbraw/zinc/53/86/96/962538696.db2.gz LLRUWIYGUVGKAX-OALUTQOASA-N 1 0 359.514 2.963 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3nc[nH]c3cc2F)[NH+](C)C)cc1 ZINC000891246210 962565058 /nfs/dbraw/zinc/56/50/58/962565058.db2.gz AEVVCRMPQITXGM-LJQANCHMSA-N 1 0 369.444 2.801 20 10 FFCDRO CCCCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000011193253 1013353920 /nfs/dbraw/zinc/35/39/20/1013353920.db2.gz YPLJZFSQMHVYGM-UHFFFAOYSA-N 1 0 360.502 2.735 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cc(C3CC3)no2)[NH+](C)C)cc1 ZINC000891248556 962577624 /nfs/dbraw/zinc/57/76/24/962577624.db2.gz YMNXPYUEASFXTB-LJQANCHMSA-N 1 0 356.470 2.580 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccoc2)[NH+](C)C)cc1 ZINC000891250125 962594898 /nfs/dbraw/zinc/59/48/98/962594898.db2.gz ZLFYPSQUUVAHSH-GOSISDBHSA-N 1 0 367.453 2.768 20 10 FFCDRO Cc1cccnc1/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250037 962595877 /nfs/dbraw/zinc/59/58/77/962595877.db2.gz YDGFQCHIZANRTD-SJFMBGHLSA-N 1 0 352.482 2.888 20 10 FFCDRO CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C ZINC000891251605 962603240 /nfs/dbraw/zinc/60/32/40/962603240.db2.gz HCJBMWTXZHMQMB-LJQANCHMSA-N 1 0 357.502 2.642 20 10 FFCDRO COCc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000891251673 962603634 /nfs/dbraw/zinc/60/36/34/962603634.db2.gz DRLYDGSTSXRTJE-FQEVSTJZSA-N 1 0 355.482 2.932 20 10 FFCDRO COC(=O)c1ccnc(Cl)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167422909 963010359 /nfs/dbraw/zinc/01/03/59/963010359.db2.gz GSVVQZAYZHGAOK-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO COc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2[nH]ccc21 ZINC001167427035 963029896 /nfs/dbraw/zinc/02/98/96/963029896.db2.gz UXIGSOICMOWVLG-UHFFFAOYSA-N 1 0 351.454 2.935 20 10 FFCDRO CCCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1C ZINC000873131748 1013395136 /nfs/dbraw/zinc/39/51/36/1013395136.db2.gz ZGXDRUWSWZFMBH-UHFFFAOYSA-N 1 0 362.514 2.755 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1Cn1cccn1 ZINC000873128714 1013395368 /nfs/dbraw/zinc/39/53/68/1013395368.db2.gz AREMVRSOOASJRW-FQEVSTJZSA-N 1 0 369.440 2.772 20 10 FFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000873131691 1013395700 /nfs/dbraw/zinc/39/57/00/1013395700.db2.gz UDUXBQYUZNARMK-IBGZPJMESA-N 1 0 358.486 2.533 20 10 FFCDRO COc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1Cn1cccn1 ZINC000873138205 1013397284 /nfs/dbraw/zinc/39/72/84/1013397284.db2.gz CVBVIJDSKYTORP-NRFANRHFSA-N 1 0 373.497 2.597 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1 ZINC000124402749 1013404972 /nfs/dbraw/zinc/40/49/72/1013404972.db2.gz VNNZFHKILPHYJN-UHFFFAOYSA-N 1 0 371.456 2.904 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4nc[nH]c4c3[N+](=O)[O-])cc2)CC1 ZINC001167436904 963262569 /nfs/dbraw/zinc/26/25/69/963262569.db2.gz GFUFAAYNAAWERB-UHFFFAOYSA-N 1 0 366.425 2.835 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1OC ZINC000891580975 964517017 /nfs/dbraw/zinc/51/70/17/964517017.db2.gz SDLJGAHYNJGRKO-UHFFFAOYSA-N 1 0 366.458 2.852 20 10 FFCDRO Cc1cccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000892154140 966094274 /nfs/dbraw/zinc/09/42/74/966094274.db2.gz WJDFFNNAJYSGTG-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)C2)cc1 ZINC000895005533 967151149 /nfs/dbraw/zinc/15/11/49/967151149.db2.gz FFEWFOKTYUXZTN-ATZDWAIDSA-N 1 0 364.461 2.745 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cc1C ZINC000052781486 967919139 /nfs/dbraw/zinc/91/91/39/967919139.db2.gz PFUMWRCJPHXZDS-UHFFFAOYSA-N 1 0 359.514 2.529 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179553694 968976284 /nfs/dbraw/zinc/97/62/84/968976284.db2.gz MDRYDNMDCYMGFB-UHFFFAOYSA-N 1 0 353.466 2.765 20 10 FFCDRO COc1ccc(C[NH2+]CCCN2CCc3ccccc3C2)c(O)c1OC ZINC000892510246 969229646 /nfs/dbraw/zinc/22/96/46/969229646.db2.gz VMMRJRCZKZAMIW-UHFFFAOYSA-N 1 0 356.466 2.947 20 10 FFCDRO CC(C)CN1C[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CCN2C1=O ZINC000782884026 969815968 /nfs/dbraw/zinc/81/59/68/969815968.db2.gz MGYXHGDSFKIYCP-INIZCTEOSA-N 1 0 354.454 2.518 20 10 FFCDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875231897 1013998706 /nfs/dbraw/zinc/99/87/06/1013998706.db2.gz ZUNLFERZFSAXOU-GOSISDBHSA-N 1 0 365.477 2.982 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000875392871 1014021541 /nfs/dbraw/zinc/02/15/41/1014021541.db2.gz FGELESRGBAKJOK-FNHZYXHNSA-N 1 0 361.486 2.520 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895495255 970678281 /nfs/dbraw/zinc/67/82/81/970678281.db2.gz PRHUWZVNYPCKTE-HNNXBMFYSA-N 1 0 362.376 2.883 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC000895525852 970701550 /nfs/dbraw/zinc/70/15/50/970701550.db2.gz BPPIQTAGIOPAJH-LJQANCHMSA-N 1 0 355.486 2.905 20 10 FFCDRO CN(C)c1ccc(/C=C\CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000895550338 970746415 /nfs/dbraw/zinc/74/64/15/970746415.db2.gz HDSHHPHSDCKYTI-SREVYHEPSA-N 1 0 370.541 2.572 20 10 FFCDRO O=C(NCc1ccnc(N2CCSCC2)c1)N1Cc2cccc(O)c2C1 ZINC000876037645 1014115667 /nfs/dbraw/zinc/11/56/67/1014115667.db2.gz MFXIQDYVBQPWLE-UHFFFAOYSA-N 1 0 370.478 2.566 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@H](C)[C@H]3C)CC2)cc1 ZINC000178471916 975029611 /nfs/dbraw/zinc/02/96/11/975029611.db2.gz VIBCNLMOKNADQV-ZWKOTPCHSA-N 1 0 374.529 2.647 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)nc(OC)n3)cc2F)CC1 ZINC000760528959 975452896 /nfs/dbraw/zinc/45/28/96/975452896.db2.gz LPAFVYPGZIXESY-UHFFFAOYSA-N 1 0 359.449 2.687 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1COc2ccccc2O1 ZINC000876537001 1014296665 /nfs/dbraw/zinc/29/66/65/1014296665.db2.gz JWTKTVKVIZTHDL-FQEVSTJZSA-N 1 0 368.477 2.920 20 10 FFCDRO C[C@H](Cc1ccccn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097454 976904747 /nfs/dbraw/zinc/90/47/47/976904747.db2.gz AMQBWVIZEDKYBB-OXQOHEQNSA-N 1 0 369.513 2.681 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC3(C2)CCOCC3)[NH+](C)C)cc1 ZINC000899102249 976911721 /nfs/dbraw/zinc/91/17/21/976911721.db2.gz OVNLLJSEMKVNQA-IBGZPJMESA-N 1 0 374.529 2.567 20 10 FFCDRO Cc1noc(C)c1CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100978 976925992 /nfs/dbraw/zinc/92/59/92/976925992.db2.gz FQWDJUSGEIBNDQ-IBGZPJMESA-N 1 0 373.501 2.802 20 10 FFCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)s1 ZINC000876750894 1014377956 /nfs/dbraw/zinc/37/79/56/1014377956.db2.gz KGLUFKOYJJTTQN-UHFFFAOYSA-N 1 0 372.538 2.735 20 10 FFCDRO COCCCOC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876755966 1014379836 /nfs/dbraw/zinc/37/98/36/1014379836.db2.gz NPCXNZNXJMJJDU-UHFFFAOYSA-N 1 0 362.514 2.665 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000796580169 1014389056 /nfs/dbraw/zinc/38/90/56/1014389056.db2.gz IMMGWJKRGMFFEJ-NRFANRHFSA-N 1 0 353.466 2.783 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CNc3ccccc3)cc2F)CC1 ZINC000236999149 977475088 /nfs/dbraw/zinc/47/50/88/977475088.db2.gz JUHCUMCFTOCTAY-UHFFFAOYSA-N 1 0 370.472 2.696 20 10 FFCDRO C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000237505039 977491740 /nfs/dbraw/zinc/49/17/40/977491740.db2.gz LETFCJBVVZCYKL-IRXDYDNUSA-N 1 0 359.514 2.726 20 10 FFCDRO [O-]c1c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc(F)c1F ZINC000876875551 1014407654 /nfs/dbraw/zinc/40/76/54/1014407654.db2.gz VLLQQLWLXMLOBS-UHFFFAOYSA-N 1 0 362.420 2.917 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1OC ZINC000894032822 977641455 /nfs/dbraw/zinc/64/14/55/977641455.db2.gz BXYHIJQQOOGXBO-OXJNMPFZSA-N 1 0 361.413 2.804 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3COc4ccccc4O3)cc2)CC1 ZINC000876907127 1014415393 /nfs/dbraw/zinc/41/53/93/1014415393.db2.gz BUPAAWAJPXYSOY-IBGZPJMESA-N 1 0 354.450 2.577 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCOC1 ZINC000876945842 1014428631 /nfs/dbraw/zinc/42/86/31/1014428631.db2.gz KESSFWFPGWFUCV-MZRZTIOWSA-N 1 0 366.477 2.580 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cc4c(cn3)OCCO4)CC2)cc1 ZINC000876999740 1014445419 /nfs/dbraw/zinc/44/54/19/1014445419.db2.gz WZDYIYVZDCORPR-UHFFFAOYSA-N 1 0 355.438 2.620 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000894233493 978360028 /nfs/dbraw/zinc/36/00/28/978360028.db2.gz CQEVHGGLMLMABL-IHPCNDPISA-N 1 0 374.529 2.612 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3COC4(CCCCC4)O3)cc2)CC1 ZINC000877137359 1014485100 /nfs/dbraw/zinc/48/51/00/1014485100.db2.gz URYBYLIVUCQXPS-HXUWFJFHSA-N 1 0 360.498 2.813 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)CC2)c(OC)c1 ZINC000877228117 1014518886 /nfs/dbraw/zinc/51/88/86/1014518886.db2.gz UCDAFDWIXLWOKQ-HNNXBMFYSA-N 1 0 369.465 2.686 20 10 FFCDRO CC1([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)OCCO1 ZINC000877316084 1014547058 /nfs/dbraw/zinc/54/70/58/1014547058.db2.gz IZQVFCLUKOFLTR-SFHVURJKSA-N 1 0 360.498 2.623 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@]12CCCO2 ZINC000877598408 1014640025 /nfs/dbraw/zinc/64/00/25/1014640025.db2.gz NRPISBJDZPJAPC-QYRPDUKASA-N 1 0 360.498 2.838 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)Nc3ccccc3C[NH3+])C2)cc1 ZINC000904629443 980314496 /nfs/dbraw/zinc/31/44/96/980314496.db2.gz WEYRAXRSZXBUCZ-OAHLLOKOSA-N 1 0 354.454 2.802 20 10 FFCDRO O[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1(O)CCCC1 ZINC000905085918 980376800 /nfs/dbraw/zinc/37/68/00/980376800.db2.gz ZZMRTCIPOAKXJG-KRWDZBQOSA-N 1 0 370.440 2.512 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[C@H](O)c3ccccc3)C2)cc1 ZINC000905288838 980414844 /nfs/dbraw/zinc/41/48/44/980414844.db2.gz GAOVLDOGUWDFSU-ZNLUXHQJSA-N 1 0 370.493 2.596 20 10 FFCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877697455 1014690015 /nfs/dbraw/zinc/69/00/15/1014690015.db2.gz NEJWJNRSZCYCFD-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877697464 1014690071 /nfs/dbraw/zinc/69/00/71/1014690071.db2.gz NPBROSYYXWCIKX-JOCHJYFZSA-N 1 0 372.484 2.870 20 10 FFCDRO CCOCc1cc(C[NH2+]CC(=O)N2CCc3ccccc32)ccc1OC ZINC000729685003 981294867 /nfs/dbraw/zinc/29/48/67/981294867.db2.gz NPSNMYRLCISARS-UHFFFAOYSA-N 1 0 354.450 2.911 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1C ZINC000877800307 1014732605 /nfs/dbraw/zinc/73/26/05/1014732605.db2.gz VSOHCFMYRCVOSI-QRQLOZEOSA-N 1 0 360.498 2.641 20 10 FFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000877831204 1014746276 /nfs/dbraw/zinc/74/62/76/1014746276.db2.gz POKYYAFNRXMYKU-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000877983512 1014795819 /nfs/dbraw/zinc/79/58/19/1014795819.db2.gz NITMNEJXUUPQLQ-FQEVSTJZSA-N 1 0 360.498 2.793 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCCn3nc(C(=O)OC)cc32)ccc1OC ZINC000897985647 982583464 /nfs/dbraw/zinc/58/34/64/982583464.db2.gz PDICYAIYKBCCSR-MRXNPFEDSA-N 1 0 373.453 2.840 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898268037 982661650 /nfs/dbraw/zinc/66/16/50/982661650.db2.gz UKZMYVJFUIPVEG-UHFFFAOYSA-N 1 0 365.433 2.988 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898367417 982695771 /nfs/dbraw/zinc/69/57/71/982695771.db2.gz DCTUEIGHSRNZST-NHZBNJEXSA-N 1 0 373.888 2.783 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1F ZINC000878180693 1014903588 /nfs/dbraw/zinc/90/35/88/1014903588.db2.gz FVYCEUUGQGEFEO-KRWDZBQOSA-N 1 0 364.461 2.685 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(F)ccc1O ZINC000186076096 984089403 /nfs/dbraw/zinc/08/94/03/984089403.db2.gz ZDTQKJJBLRKCSP-GOEBONIOSA-N 1 0 358.413 2.862 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000164199727 984336061 /nfs/dbraw/zinc/33/60/61/984336061.db2.gz TTXKFOZKLJESLX-RDJZCZTQSA-N 1 0 352.438 2.807 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000249710087 984411170 /nfs/dbraw/zinc/41/11/70/984411170.db2.gz DAUCNDXETXWHCP-HOTGVXAUSA-N 1 0 365.493 2.786 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000999773555 986609452 /nfs/dbraw/zinc/60/94/52/986609452.db2.gz YWASLUFIIZQQEC-QRVBRYPASA-N 1 0 360.498 2.899 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000151777309 986855122 /nfs/dbraw/zinc/85/51/22/986855122.db2.gz NCKTWIYVEYZGKI-HTAPYJJXSA-N 1 0 353.510 2.822 20 10 FFCDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(N(C)C)cc1 ZINC000761657506 987678413 /nfs/dbraw/zinc/67/84/13/987678413.db2.gz UDQICOQNUKVNFR-UHFFFAOYSA-N 1 0 358.442 2.733 20 10 FFCDRO O[C@H]1C[C@](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)(c2ccccc2)C1 ZINC000922530468 988674219 /nfs/dbraw/zinc/67/42/19/988674219.db2.gz HJQUFDOTJIXIBY-XYWHTSSQSA-N 1 0 370.468 2.845 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702604886 990009337 /nfs/dbraw/zinc/00/93/37/990009337.db2.gz ZZTRKCLVZWJFPC-KKSFZXQISA-N 1 0 356.466 2.688 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1OC ZINC000763441222 990696523 /nfs/dbraw/zinc/69/65/23/990696523.db2.gz FEKZCYLUAIOITP-OXJNMPFZSA-N 1 0 361.413 2.804 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C2CC2)cc1 ZINC000921113354 990976835 /nfs/dbraw/zinc/97/68/35/990976835.db2.gz YCYDGYNKZANWBA-LEWJYISDSA-N 1 0 371.525 2.887 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])C(C)C)n2)cc1 ZINC001212276780 991398159 /nfs/dbraw/zinc/39/81/59/991398159.db2.gz LLDVQJKWBRYYGK-SFHVURJKSA-N 1 0 367.453 2.744 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000180019043 991407473 /nfs/dbraw/zinc/40/74/73/991407473.db2.gz DLJPJXBGBKQFFB-MRXNPFEDSA-N 1 0 357.502 2.590 20 10 FFCDRO c1ccc(CN2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000069710523 991868347 /nfs/dbraw/zinc/86/83/47/991868347.db2.gz WIJKDBUYLJKVDV-UHFFFAOYSA-N 1 0 366.509 2.672 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000182316914 992007114 /nfs/dbraw/zinc/00/71/14/992007114.db2.gz CVGINMXMRUIXGP-HNNXBMFYSA-N 1 0 371.481 2.776 20 10 FFCDRO COc1cc(N2CC[NH+](CCOc3ccccc3)CC2)cc(OC)c1OC ZINC000183703602 992527302 /nfs/dbraw/zinc/52/73/02/992527302.db2.gz CVTRLTBRUFKLOM-UHFFFAOYSA-N 1 0 372.465 2.913 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000808743562 994250774 /nfs/dbraw/zinc/25/07/74/994250774.db2.gz IIDPXMLBFZYIOD-QGZVFWFLSA-N 1 0 363.465 2.955 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593220739 994314937 /nfs/dbraw/zinc/31/49/37/994314937.db2.gz USRORYOMIOAPFR-GTXQTCRKSA-N 1 0 368.433 2.997 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)c1O ZINC000809740695 994601753 /nfs/dbraw/zinc/60/17/53/994601753.db2.gz ASIUEWCJTDYNSJ-CQSZACIVSA-N 1 0 358.438 2.837 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccccc1 ZINC000810165354 994713581 /nfs/dbraw/zinc/71/35/81/994713581.db2.gz PHBITTOAABMANY-YADHBBJMSA-N 1 0 352.478 2.779 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000810243783 994743056 /nfs/dbraw/zinc/74/30/56/994743056.db2.gz UFHBQRCWKSUYSC-OAHLLOKOSA-N 1 0 371.456 2.541 20 10 FFCDRO C[N@H+](Cc1ccc(-n2ccnn2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001137366456 1015911807 /nfs/dbraw/zinc/91/18/07/1015911807.db2.gz BEOPIXIFEMOLRD-UHFFFAOYSA-N 1 0 363.465 2.736 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2)cc1 ZINC000811953470 995287726 /nfs/dbraw/zinc/28/77/26/995287726.db2.gz CQNCJWXWRHLFHZ-QGZVFWFLSA-N 1 0 362.518 2.646 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)=C3CCC3)CC2)cc1 ZINC000823990084 996772865 /nfs/dbraw/zinc/77/28/65/996772865.db2.gz IDWMWLVEGCSHGR-UHFFFAOYSA-N 1 0 357.498 2.824 20 10 FFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000824085168 996792061 /nfs/dbraw/zinc/79/20/61/996792061.db2.gz KLXOTTBZQHXOTR-XBMUEBEBSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000824086544 996792744 /nfs/dbraw/zinc/79/27/44/996792744.db2.gz XXLRJEVVNHWZJT-QGZVFWFLSA-N 1 0 371.456 2.826 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000824086440 996792802 /nfs/dbraw/zinc/79/28/02/996792802.db2.gz VUSXADUNTRTWJY-MSOLQXFVSA-N 1 0 357.498 2.580 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)OCC(C)C)cc2F)CC1 ZINC000730192570 996955833 /nfs/dbraw/zinc/95/58/33/996955833.db2.gz GZHMFJGDRYGKMV-MRXNPFEDSA-N 1 0 365.493 2.645 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000730227352 996994087 /nfs/dbraw/zinc/99/40/87/996994087.db2.gz CMKVDGDIPHLVAI-KRWDZBQOSA-N 1 0 368.525 2.768 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC000826846845 1016101935 /nfs/dbraw/zinc/10/19/35/1016101935.db2.gz ZIKWEIXWWVEKKZ-QQFBHYJXSA-N 1 0 361.486 2.919 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1 ZINC000825305911 997305158 /nfs/dbraw/zinc/30/51/58/997305158.db2.gz WIJBXZDJVRFZAP-UHFFFAOYSA-N 1 0 360.454 2.718 20 10 FFCDRO COC1CC[NH+](C2(CNC(=O)NCc3ccccc3O)CCCC2)CC1 ZINC000730908998 997543785 /nfs/dbraw/zinc/54/37/85/997543785.db2.gz ZOIKJZLSYFRPFJ-UHFFFAOYSA-N 1 0 361.486 2.615 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000844166790 997690578 /nfs/dbraw/zinc/69/05/78/997690578.db2.gz IXSBAQNOUAWDAA-IBGZPJMESA-N 1 0 373.884 2.835 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000844174194 997695018 /nfs/dbraw/zinc/69/50/18/997695018.db2.gz PFPIEAWNGVKEAH-MRXNPFEDSA-N 1 0 367.493 2.845 20 10 FFCDRO Cn1cnc2c1ncnc2N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732048894 998445291 /nfs/dbraw/zinc/44/52/91/998445291.db2.gz LCXFXJTVMQYDEP-AWEZNQCLSA-N 1 0 372.860 2.799 20 10 FFCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000845948668 998690450 /nfs/dbraw/zinc/69/04/50/998690450.db2.gz BMYAALBIZCMHRR-MSOLQXFVSA-N 1 0 361.530 2.929 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccn(C(C)C)n3)cc2F)CC1 ZINC000733104475 998877862 /nfs/dbraw/zinc/87/78/62/998877862.db2.gz DTSUFZWXIMDMAV-UHFFFAOYSA-N 1 0 373.476 2.675 20 10 FFCDRO CCN(CC)c1ccc(CN(C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903876791 1016281708 /nfs/dbraw/zinc/28/17/08/1016281708.db2.gz ISVFGCGRXNBUQI-LJQANCHMSA-N 1 0 356.518 2.681 20 10 FFCDRO Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cnn1C ZINC000903873802 1016280413 /nfs/dbraw/zinc/28/04/13/1016280413.db2.gz MFBFZAMCNDABAQ-FQEVSTJZSA-N 1 0 369.557 2.968 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000734468132 999288051 /nfs/dbraw/zinc/28/80/51/999288051.db2.gz NEXNUZATIRTQSF-FQEVSTJZSA-N 1 0 366.509 2.984 20 10 FFCDRO Cc1cc(O)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C(C)C ZINC000738162087 999622365 /nfs/dbraw/zinc/62/23/65/999622365.db2.gz WVQXWJBVVSWVHK-UHFFFAOYSA-N 1 0 359.514 2.564 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1F ZINC000740006833 999657062 /nfs/dbraw/zinc/65/70/62/999657062.db2.gz OGHPDAVSPMKAGL-PZJWPPBQSA-N 1 0 371.500 2.864 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ncnc4sccc43)CC2)cc1 ZINC000742928015 999794120 /nfs/dbraw/zinc/79/41/20/999794120.db2.gz GTCYRXNPKYIESK-UHFFFAOYSA-N 1 0 369.494 2.934 20 10 FFCDRO Cc1noc(COC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000766687002 1000046214 /nfs/dbraw/zinc/04/62/14/1000046214.db2.gz XLNVZSORZYWMNF-UHFFFAOYSA-N 1 0 368.437 2.843 20 10 FFCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccn1 ZINC000766734263 1000054726 /nfs/dbraw/zinc/05/47/26/1000054726.db2.gz LMWGYOQYKLAGGD-IBGZPJMESA-N 1 0 373.522 2.947 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CC(C)(C)CC(C)(C)C1)cc2=O ZINC000767915583 1000157977 /nfs/dbraw/zinc/15/79/77/1000157977.db2.gz HPXMOSYNNXZIFY-UHFFFAOYSA-N 1 0 360.458 2.870 20 10 FFCDRO COc1ccc(O)c(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000845992841 1000190816 /nfs/dbraw/zinc/19/08/16/1000190816.db2.gz RMSGJXGKKBMCCT-UHFFFAOYSA-N 1 0 369.465 2.839 20 10 FFCDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000846075067 1000199023 /nfs/dbraw/zinc/19/90/23/1000199023.db2.gz LJLYUYJZGHPERI-INIZCTEOSA-N 1 0 372.469 2.686 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)[C@@H](O)CO2 ZINC000768437603 1000247309 /nfs/dbraw/zinc/24/73/09/1000247309.db2.gz ASWWMGHFJCEFBU-IBGZPJMESA-N 1 0 374.868 2.789 20 10 FFCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768451020 1000251660 /nfs/dbraw/zinc/25/16/60/1000251660.db2.gz LKNPJQUVNAKMGU-LJQANCHMSA-N 1 0 370.449 2.542 20 10 FFCDRO O=C(NCc1ccoc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768707819 1000326264 /nfs/dbraw/zinc/32/62/64/1000326264.db2.gz PZPIIGZVJSOFKI-UHFFFAOYSA-N 1 0 368.481 2.811 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000768841213 1000366634 /nfs/dbraw/zinc/36/66/34/1000366634.db2.gz IFFGABADMXBYKK-CVEARBPZSA-N 1 0 362.445 2.757 20 10 FFCDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000743860830 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CN(CC(=O)N(C)C1CCCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775653010 1004959169 /nfs/dbraw/zinc/95/91/69/1004959169.db2.gz ZIOWOSKYJQANCK-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000105206829 1005008132 /nfs/dbraw/zinc/00/81/32/1005008132.db2.gz BRGTZHVGKXLUMB-GOSISDBHSA-N 1 0 358.530 2.989 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000105321044 1005056457 /nfs/dbraw/zinc/05/64/57/1005056457.db2.gz TVZUHSQQYPAWDL-HNNXBMFYSA-N 1 0 374.554 2.769 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C12CCC2 ZINC000776156939 1005201366 /nfs/dbraw/zinc/20/13/66/1005201366.db2.gz OMHCKPBWWIRACP-YZGWKJHDSA-N 1 0 371.525 2.826 20 10 FFCDRO CCCCO[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702016 1005356578 /nfs/dbraw/zinc/35/65/78/1005356578.db2.gz FIDBUJDEUZAMFY-INIZCTEOSA-N 1 0 365.493 2.789 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850133953 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362.514 2.886 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000850566221 1005822951 /nfs/dbraw/zinc/82/29/51/1005822951.db2.gz MGZWGMKDPLSJQY-OAHLLOKOSA-N 1 0 368.481 2.989 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850567544 1005823040 /nfs/dbraw/zinc/82/30/40/1005823040.db2.gz FKCIZYFPXTUOLZ-CQSZACIVSA-N 1 0 370.453 2.989 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000851791681 1005914232 /nfs/dbraw/zinc/91/42/32/1005914232.db2.gz FDTYODVGZJHUHW-INIZCTEOSA-N 1 0 362.470 2.547 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000852017513 1005934059 /nfs/dbraw/zinc/93/40/59/1005934059.db2.gz AOYCIIBPXVQFOV-KRWDZBQOSA-N 1 0 362.470 2.548 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C2)cc1 ZINC000852395664 1006005630 /nfs/dbraw/zinc/00/56/30/1006005630.db2.gz CKWNMCKAKWVEMI-KRWDZBQOSA-N 1 0 362.518 2.551 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2F)C[C@@H](C)O1 ZINC000813855979 1006057648 /nfs/dbraw/zinc/05/76/48/1006057648.db2.gz VKYBJQKETOTXRD-HBUWYVDXSA-N 1 0 363.477 2.586 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000852708101 1006154352 /nfs/dbraw/zinc/15/43/52/1006154352.db2.gz QPLACCAVFZMRNM-UHFFFAOYSA-N 1 0 358.530 2.982 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC000852800793 1006190928 /nfs/dbraw/zinc/19/09/28/1006190928.db2.gz CNOMJBBYQVPTBG-UHFFFAOYSA-N 1 0 371.506 2.801 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000852803741 1006192942 /nfs/dbraw/zinc/19/29/42/1006192942.db2.gz PBKBRCRQXYHTID-KRWDZBQOSA-N 1 0 367.497 2.653 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3cccc4c3C[NH2+]C4)C2)cc1 ZINC000852819344 1006196325 /nfs/dbraw/zinc/19/63/25/1006196325.db2.gz BRZAGJFPTKZVPA-HNNXBMFYSA-N 1 0 351.450 2.555 20 10 FFCDRO CC1(C)CC[NH2+][C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852869796 1006213596 /nfs/dbraw/zinc/21/35/96/1006213596.db2.gz LTMHDADWXGRRAZ-BBRMVZONSA-N 1 0 367.440 2.761 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852882222 1006220134 /nfs/dbraw/zinc/22/01/34/1006220134.db2.gz AMMXNVWUEPHQPU-PBHICJAKSA-N 1 0 353.422 2.586 20 10 FFCDRO Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000881850327 1006242099 /nfs/dbraw/zinc/24/20/99/1006242099.db2.gz RBYGUAJXBAYFCD-SFHVURJKSA-N 1 0 369.513 2.519 20 10 FFCDRO CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000853486507 1006406487 /nfs/dbraw/zinc/40/64/87/1006406487.db2.gz FJILNQWNMXXJOQ-FXAWDEMLSA-N 1 0 374.529 2.710 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000815082530 1006511001 /nfs/dbraw/zinc/51/10/01/1006511001.db2.gz WKWKCQALZIGDQV-IIBYNOLFSA-N 1 0 358.457 2.917 20 10 FFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000883085423 1006635661 /nfs/dbraw/zinc/63/56/61/1006635661.db2.gz QSWDVFQSIKIGCX-GOSISDBHSA-N 1 0 362.420 2.917 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000854297246 1006763217 /nfs/dbraw/zinc/76/32/17/1006763217.db2.gz LFPMAADQLZAKBI-YJJAZYOBSA-N 1 0 372.513 2.541 20 10 FFCDRO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298852 1006764702 /nfs/dbraw/zinc/76/47/02/1006764702.db2.gz IRCIPGAMNCUDBB-KRWDZBQOSA-N 1 0 362.518 2.647 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)C(C)(F)F)cc2)CC1 ZINC000883803453 1007013728 /nfs/dbraw/zinc/01/37/28/1007013728.db2.gz FXWMCLYGCNHYND-UHFFFAOYSA-N 1 0 368.472 2.919 20 10 FFCDRO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000775257048 1007110891 /nfs/dbraw/zinc/11/08/91/1007110891.db2.gz DUYSKQMLYICRFK-DLBZAZTESA-N 1 0 371.525 2.963 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2ccc3ccccc3c2O)(N2CCOCC2)C1 ZINC000816592256 1007116519 /nfs/dbraw/zinc/11/65/19/1007116519.db2.gz DGEJGWQKPGVBPE-UHFFFAOYSA-N 1 0 370.493 2.905 20 10 FFCDRO OCCOCC1(O)CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000884477657 1007458461 /nfs/dbraw/zinc/45/84/61/1007458461.db2.gz DFLAGGOKCWNPAD-UHFFFAOYSA-N 1 0 371.433 2.627 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368811 1007511187 /nfs/dbraw/zinc/51/11/87/1007511187.db2.gz GMNUMKIYYMREJC-NEPJUHHUSA-N 1 0 358.394 2.807 20 10 FFCDRO COc1ccc(N2CCN(CCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000817894944 1007802366 /nfs/dbraw/zinc/80/23/66/1007802366.db2.gz PJNFEJFEUHLDKL-FGZHOGPDSA-N 1 0 366.509 2.552 20 10 FFCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897999 1007803898 /nfs/dbraw/zinc/80/38/98/1007803898.db2.gz YKMKQYYHNPQAII-VQTJNVASSA-N 1 0 359.514 2.839 20 10 FFCDRO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901195 1007804113 /nfs/dbraw/zinc/80/41/13/1007804113.db2.gz UWWDZUHUJWGUID-BZUAXINKSA-N 1 0 369.456 2.613 20 10 FFCDRO C[C@H](C[C@H]1COCCN1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903933 1007804274 /nfs/dbraw/zinc/80/42/74/1007804274.db2.gz XCMIAYPBBPLQIE-ZBFHGGJFSA-N 1 0 369.456 2.613 20 10 FFCDRO COC(=O)COc1ccccc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944307 1007820472 /nfs/dbraw/zinc/82/04/72/1007820472.db2.gz ZBSDUWKSOFIHLD-BEFAXECRSA-N 1 0 371.481 2.655 20 10 FFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206372327 1032257969 /nfs/dbraw/zinc/25/79/69/1032257969.db2.gz ZVYRJKCEWVAMFP-OAHLLOKOSA-N 1 0 350.356 2.986 20 10 FFCDRO CN(C)c1ccc(/C=C\C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856535594 1007875464 /nfs/dbraw/zinc/87/54/64/1007875464.db2.gz DPHWYOJQNPEPFI-ZYNVHPMPSA-N 1 0 364.493 2.616 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCc3ccccc3)cc2)CC1 ZINC001191219713 1007924999 /nfs/dbraw/zinc/92/49/99/1007924999.db2.gz HPMMLQPUJSPWTP-UHFFFAOYSA-N 1 0 366.509 2.870 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C[NH3+])C3CCCCC3)C2)cc1 ZINC000818654681 1007960658 /nfs/dbraw/zinc/96/06/58/1007960658.db2.gz FFBYTFOHUQZCCO-OXJNMPFZSA-N 1 0 374.529 2.728 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000818655288 1007960787 /nfs/dbraw/zinc/96/07/87/1007960787.db2.gz KDHMGDBSHLWPBW-LPHOPBHVSA-N 1 0 362.518 2.536 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000819581577 1008181244 /nfs/dbraw/zinc/18/12/44/1008181244.db2.gz ABILEPCXNOJPAN-ZJPYXAASSA-N 1 0 359.514 2.899 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000819582886 1008183082 /nfs/dbraw/zinc/18/30/82/1008183082.db2.gz RAGAOOGLHKFNAK-ZWKOTPCHSA-N 1 0 359.514 2.902 20 10 FFCDRO COc1cc(F)ccc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000115511567 1008197621 /nfs/dbraw/zinc/19/76/21/1008197621.db2.gz YSXIMTAOULMBIE-UHFFFAOYSA-N 1 0 360.385 2.591 20 10 FFCDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858133616 1008307518 /nfs/dbraw/zinc/30/75/18/1008307518.db2.gz ZHRJXPMGBGXDSJ-SFHVURJKSA-N 1 0 361.436 2.820 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000820581346 1008350847 /nfs/dbraw/zinc/35/08/47/1008350847.db2.gz QEBVHTXAOZRLGC-XQRVVYSFSA-N 1 0 359.426 2.703 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3CCCC[N@H+](C)C3)CC2)cc1 ZINC000858767159 1008419198 /nfs/dbraw/zinc/41/91/98/1008419198.db2.gz CKKKLAZZSUIYKA-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000858870141 1008443054 /nfs/dbraw/zinc/44/30/54/1008443054.db2.gz UJKVUJVUTMMQAW-IBGZPJMESA-N 1 0 356.514 2.885 20 10 FFCDRO CCC[C@@H](OCC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000859260729 1008494319 /nfs/dbraw/zinc/49/43/19/1008494319.db2.gz DDNRPNCDLUJRJF-LJQANCHMSA-N 1 0 365.493 2.789 20 10 FFCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C(C)C ZINC000859261743 1008494471 /nfs/dbraw/zinc/49/44/71/1008494471.db2.gz RMNQXWGSNSHBIH-LJQANCHMSA-N 1 0 365.493 2.645 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000822494350 1008623399 /nfs/dbraw/zinc/62/33/99/1008623399.db2.gz MLNFZSGHSLSUCC-INIZCTEOSA-N 1 0 367.449 2.756 20 10 FFCDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)O2)[C@H]1C ZINC000886335721 1008640924 /nfs/dbraw/zinc/64/09/24/1008640924.db2.gz GWTOVPLWSNFOKA-PEYKTXOXSA-N 1 0 374.525 2.710 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCc4cccnc43)CC2)cc1 ZINC000886493308 1008700457 /nfs/dbraw/zinc/70/04/57/1008700457.db2.gz DJGKBXWXGCGVHS-OAQYLSRUSA-N 1 0 366.509 2.879 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000773698823 1008706051 /nfs/dbraw/zinc/70/60/51/1008706051.db2.gz CGSWXGCAEHHALQ-WOJBJXKFSA-N 1 0 373.541 2.850 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccc(Cl)nc3)cc2F)CC1 ZINC001177981652 1008829556 /nfs/dbraw/zinc/82/95/56/1008829556.db2.gz PMUYZHSZVRXHCV-UHFFFAOYSA-N 1 0 362.880 2.958 20 10 FFCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000886749129 1008860064 /nfs/dbraw/zinc/86/00/64/1008860064.db2.gz KFKKVKVTYROOFK-MRXNPFEDSA-N 1 0 359.514 2.826 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860243690 1008911475 /nfs/dbraw/zinc/91/14/75/1008911475.db2.gz UMTSIKCIRDLDCJ-RBUKOAKNSA-N 1 0 366.461 2.872 20 10 FFCDRO CCCc1cc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1 ZINC000823162156 1008950509 /nfs/dbraw/zinc/95/05/09/1008950509.db2.gz QJFNVESPBJPNQT-UHFFFAOYSA-N 1 0 374.460 2.838 20 10 FFCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccc(CO)cc1 ZINC000823508374 1009084026 /nfs/dbraw/zinc/08/40/26/1009084026.db2.gz HMDQEBUNCBSOKZ-UHFFFAOYSA-N 1 0 365.477 2.963 20 10 FFCDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000140589533 1009123268 /nfs/dbraw/zinc/12/32/68/1009123268.db2.gz HKTJEQAADXBWRY-OAQYLSRUSA-N 1 0 367.493 2.832 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000126224355 1009220354 /nfs/dbraw/zinc/22/03/54/1009220354.db2.gz KEKXYHFKJYEOLA-HNNXBMFYSA-N 1 0 357.429 2.952 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000861229783 1009307575 /nfs/dbraw/zinc/30/75/75/1009307575.db2.gz YCIIDDHZDHTJOQ-UHFFFAOYSA-N 1 0 351.450 2.827 20 10 FFCDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001179432538 1009332393 /nfs/dbraw/zinc/33/23/93/1009332393.db2.gz FHPZKIWMAYSFAR-MXVIHJGJSA-N 1 0 370.518 2.915 20 10 FFCDRO [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179691290 1009404234 /nfs/dbraw/zinc/40/42/34/1009404234.db2.gz GOWCDRXNSZJJGG-USHCCXKFSA-N 1 0 367.449 2.805 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862274723 1009777038 /nfs/dbraw/zinc/77/70/38/1009777038.db2.gz UVQMXCXVHZCGEF-KBXCAEBGSA-N 1 0 362.470 2.736 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000862397916 1009826063 /nfs/dbraw/zinc/82/60/63/1009826063.db2.gz QENBDWRISMLUEE-INIZCTEOSA-N 1 0 369.465 2.883 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3c3ccc[nH]3)cc2)CC1 ZINC000889669454 1010047873 /nfs/dbraw/zinc/04/78/73/1010047873.db2.gz KATBANJHEPIPRZ-FQEVSTJZSA-N 1 0 367.497 2.813 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000863831851 1010336923 /nfs/dbraw/zinc/33/69/23/1010336923.db2.gz OVYGAPCCWHOSBM-IBGZPJMESA-N 1 0 355.482 2.507 20 10 FFCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncnc1 ZINC000863897503 1010349554 /nfs/dbraw/zinc/34/95/54/1010349554.db2.gz LBNJZKFLXKMYAK-DYVFJYSZSA-N 1 0 374.872 2.720 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(C)cc1O ZINC000794805877 1010686245 /nfs/dbraw/zinc/68/62/45/1010686245.db2.gz RQNLZDGRUHDZDN-DYESRHJHSA-N 1 0 367.449 2.996 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865604408 1010825568 /nfs/dbraw/zinc/82/55/68/1010825568.db2.gz WEJMFTRSEVCLHH-JXFKEZNVSA-N 1 0 357.502 2.552 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000120810942 1010891338 /nfs/dbraw/zinc/89/13/38/1010891338.db2.gz JNMDZQUWNLPQQI-HDICACEKSA-N 1 0 374.529 2.790 20 10 FFCDRO O=S(=O)(c1cccc2nonc21)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000120868877 1010909843 /nfs/dbraw/zinc/90/98/43/1010909843.db2.gz KOPGGNAMQQYSTO-UHFFFAOYSA-N 1 0 372.450 2.514 20 10 FFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171501427 1011360427 /nfs/dbraw/zinc/36/04/27/1011360427.db2.gz YMQZLEFCLSIJEB-BDJLRTHQSA-N 1 0 353.340 2.696 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000122711031 1011873229 /nfs/dbraw/zinc/87/32/29/1011873229.db2.gz LMEUWHVVVSVJHW-XYJFISCASA-N 1 0 372.513 2.509 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275248287 1012137843 /nfs/dbraw/zinc/13/78/43/1012137843.db2.gz MYIPXQDCSUYBMK-MLGOLLRUSA-N 1 0 364.873 2.741 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275248358 1012137971 /nfs/dbraw/zinc/13/79/71/1012137971.db2.gz NLOZUUJMOVDGTN-AUUYWEPGSA-N 1 0 366.889 2.895 20 10 FFCDRO C[NH+]1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)(c2ccccc2)CC1 ZINC000870189181 1012253714 /nfs/dbraw/zinc/25/37/14/1012253714.db2.gz ODGDTKSDPNIIDP-NTMALXAHSA-N 1 0 366.461 2.891 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001275598477 1012676204 /nfs/dbraw/zinc/67/62/04/1012676204.db2.gz PGTKUMRJZPXNOP-NRFANRHFSA-N 1 0 359.514 2.604 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc[nH]2)cc1 ZINC001275603426 1012678606 /nfs/dbraw/zinc/67/86/06/1012678606.db2.gz USINWTRHAMXWQZ-WOJBJXKFSA-N 1 0 352.482 2.846 20 10 FFCDRO O=C(CC[C@H]1CC[NH2+]C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359482 1032678907 /nfs/dbraw/zinc/67/89/07/1032678907.db2.gz VWXZUWGZXILCRN-AWEZNQCLSA-N 1 0 367.440 2.763 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2)C1 ZINC000924727317 1017451895 /nfs/dbraw/zinc/45/18/95/1017451895.db2.gz FBFWAEHOTBYMEI-CTNGQTDRSA-N 1 0 371.525 2.683 20 10 FFCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000827141951 1017509099 /nfs/dbraw/zinc/50/90/99/1017509099.db2.gz ZIOSGAGAMPGKGB-IAGOWNOFSA-N 1 0 372.469 2.686 20 10 FFCDRO CCC[C@]12CCCN1C(=O)N(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2=O ZINC000925080186 1017608740 /nfs/dbraw/zinc/60/87/40/1017608740.db2.gz RIZHDYCZAWCSIV-OAQYLSRUSA-N 1 0 370.497 2.535 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000389270386 1019647828 /nfs/dbraw/zinc/64/78/28/1019647828.db2.gz HOIJLKZVLPUTRC-INIZCTEOSA-N 1 0 361.486 2.522 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]Cc1cc(F)ccc1O)O2 ZINC000690617719 1019959551 /nfs/dbraw/zinc/95/95/51/1019959551.db2.gz VCWVOEQKSBSHRS-OAHLLOKOSA-N 1 0 366.433 2.789 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000930800566 1020190650 /nfs/dbraw/zinc/19/06/50/1020190650.db2.gz XDXNJIRIUPKPKN-MRXNPFEDSA-N 1 0 373.505 2.524 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000726712895 1020511900 /nfs/dbraw/zinc/51/19/00/1020511900.db2.gz QBYUZGBFVCEGMC-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO CS(=O)(=O)N1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000726961424 1020558661 /nfs/dbraw/zinc/55/86/61/1020558661.db2.gz MIVVAZJGRWADRU-UHFFFAOYSA-N 1 0 374.462 2.759 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H](c3ccccn3)C3CC3)cc2)CC1 ZINC000903096649 1020675978 /nfs/dbraw/zinc/67/59/78/1020675978.db2.gz ICTQMXADBYZBRS-HXUWFJFHSA-N 1 0 371.506 2.557 20 10 FFCDRO CCCCN1CC2(CN(Cc3ccc(C(F)(F)F)cc3O)C2)OCC1=O ZINC001276764587 1032922683 /nfs/dbraw/zinc/92/26/83/1032922683.db2.gz BPUQPVINAZKPBL-UHFFFAOYSA-N 1 0 372.387 2.624 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[NH2+]CCC[C@@H]3F)cccc21 ZINC001217980543 1032930734 /nfs/dbraw/zinc/93/07/34/1032930734.db2.gz ZIABVUARPNDKEN-XJKSGUPXSA-N 1 0 355.365 2.637 20 10 FFCDRO Cn1nnnc1CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000903348469 1020798807 /nfs/dbraw/zinc/79/88/07/1020798807.db2.gz DGQUGYXBVYMVEY-GOSISDBHSA-N 1 0 351.454 2.812 20 10 FFCDRO C[C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000829003328 1032939908 /nfs/dbraw/zinc/93/99/08/1032939908.db2.gz MVLWDHHHIKYDBB-QFBILLFUSA-N 1 0 360.498 2.926 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H]([C@H]2CCCO2)C1 ZINC000933184309 1020974819 /nfs/dbraw/zinc/97/48/19/1020974819.db2.gz KEDLGRZHAJJHMB-MISYRCLQSA-N 1 0 360.498 2.994 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(CCCOCC(F)(F)F)CC1)CCC2 ZINC000749677475 1021019697 /nfs/dbraw/zinc/01/96/97/1021019697.db2.gz UBAAZPGOJKEZRE-UHFFFAOYSA-N 1 0 372.431 2.968 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218013704 1032951993 /nfs/dbraw/zinc/95/19/93/1032951993.db2.gz CIGXRECXOBLCDP-GOEBONIOSA-N 1 0 355.365 2.637 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncccc3C)cc2F)CC1 ZINC000749984423 1021192391 /nfs/dbraw/zinc/19/23/91/1021192391.db2.gz WCJKXQHARYESEL-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO COc1cc(O[C@H]2C[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001218038071 1032964663 /nfs/dbraw/zinc/96/46/63/1032964663.db2.gz YRKJUEWRWUBNGS-DGCLKSJQSA-N 1 0 367.401 2.614 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CC(=O)[O-])c3cccs3)cc2)CC1 ZINC001117078380 1021559209 /nfs/dbraw/zinc/55/92/09/1021559209.db2.gz DGYBVLZHIPVCKZ-KRWDZBQOSA-N 1 0 359.495 2.806 20 10 FFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@@H]3CSC4(C[NH2+]C4)C3)ccc21 ZINC001218100402 1032994503 /nfs/dbraw/zinc/99/45/03/1032994503.db2.gz PHPVTQLKBVAZDG-ZDUSSCGKSA-N 1 0 351.427 2.688 20 10 FFCDRO CN(C)c1cc(F)c(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1F ZINC001118855332 1022442978 /nfs/dbraw/zinc/44/29/78/1022442978.db2.gz FNHPWXLHRMUKRX-UHFFFAOYSA-N 1 0 361.440 2.790 20 10 FFCDRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H](C)O1 ZINC000048458111 1022728093 /nfs/dbraw/zinc/72/80/93/1022728093.db2.gz BRBPCZNHBQKWEI-QZTJIDSGSA-N 1 0 374.529 2.585 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(O)cc1C ZINC000159850036 1022817055 /nfs/dbraw/zinc/81/70/55/1022817055.db2.gz MHRZGYHBZUZHHA-UHFFFAOYSA-N 1 0 357.410 2.940 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c(O)c1OC ZINC001119948242 1023177542 /nfs/dbraw/zinc/17/75/42/1023177542.db2.gz KSGRGLISNPTGHN-OAHLLOKOSA-N 1 0 356.422 2.584 20 10 FFCDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000752802859 1023206679 /nfs/dbraw/zinc/20/66/79/1023206679.db2.gz KRQPCTSZLTUQDD-STQMWFEESA-N 1 0 364.442 2.856 20 10 FFCDRO CC(C)OCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001276783191 1033128165 /nfs/dbraw/zinc/12/81/65/1033128165.db2.gz ROGQDGSGLYOHCH-WOJBJXKFSA-N 1 0 359.514 2.743 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000753913878 1023397647 /nfs/dbraw/zinc/39/76/47/1023397647.db2.gz NAFQJSOXFHNEOJ-NRFANRHFSA-N 1 0 352.482 2.847 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000077241678 1023559752 /nfs/dbraw/zinc/55/97/52/1023559752.db2.gz ZICLECGTFYSLBE-QGZVFWFLSA-N 1 0 371.525 2.997 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)cc1 ZINC000077655651 1023651109 /nfs/dbraw/zinc/65/11/09/1023651109.db2.gz BBBMFSKQDYGMTE-NRFANRHFSA-N 1 0 361.530 2.632 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000756588223 1023732002 /nfs/dbraw/zinc/73/20/02/1023732002.db2.gz GPBUNSNNLXMIGZ-MSOLQXFVSA-N 1 0 354.498 2.957 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@@H]3C[NH2+]C[C@H]13)C(=O)c1ccccc1C2=O ZINC001218462815 1033168712 /nfs/dbraw/zinc/16/87/12/1033168712.db2.gz XWYOBTSULZLHBQ-OAUYIBNBSA-N 1 0 363.413 2.847 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137836071 1033173133 /nfs/dbraw/zinc/17/31/33/1033173133.db2.gz URJHCHXDHKTTGW-NRFANRHFSA-N 1 0 369.440 2.941 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)CC1 ZINC000779489650 1023939897 /nfs/dbraw/zinc/93/98/97/1023939897.db2.gz RDYBGRJLGODPJL-WMZJFQQLSA-N 1 0 367.449 2.892 20 10 FFCDRO O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137835463 1033174489 /nfs/dbraw/zinc/17/44/89/1033174489.db2.gz ICBAAYGRPFZMQD-OLZOCXBDSA-N 1 0 361.442 2.582 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCC[C@H]4[NH3+])cc2)CC1 ZINC001121997785 1024248935 /nfs/dbraw/zinc/24/89/35/1024248935.db2.gz HXMSEOYHACCJEQ-GOSISDBHSA-N 1 0 367.497 2.843 20 10 FFCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000779604084 1024255731 /nfs/dbraw/zinc/25/57/31/1024255731.db2.gz FWZFNFOHNMHBEM-GOSISDBHSA-N 1 0 360.498 2.934 20 10 FFCDRO Cc1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CO)C2)ccc1N(C)C ZINC001139669999 1024358793 /nfs/dbraw/zinc/35/87/93/1024358793.db2.gz UFRNMZBKFBNCQO-OAQYLSRUSA-N 1 0 353.510 2.740 20 10 FFCDRO CC[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000758974429 1024406190 /nfs/dbraw/zinc/40/61/90/1024406190.db2.gz ZNDRRQHTRAURDO-GHTZIAJQSA-N 1 0 368.477 2.914 20 10 FFCDRO CC[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000758974435 1024406319 /nfs/dbraw/zinc/40/63/19/1024406319.db2.gz ZNDRRQHTRAURDO-RXVVDRJESA-N 1 0 368.477 2.914 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C12CCCC2 ZINC000829629688 1033255500 /nfs/dbraw/zinc/25/55/00/1033255500.db2.gz LGZNZBINRZPUAE-RTBURBONSA-N 1 0 359.514 2.696 20 10 FFCDRO CC(C)CCO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000083247211 1025051057 /nfs/dbraw/zinc/05/10/57/1025051057.db2.gz JQFXPQRJRSVJLZ-HXUWFJFHSA-N 1 0 361.530 2.848 20 10 FFCDRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141142677 1025513447 /nfs/dbraw/zinc/51/34/47/1025513447.db2.gz WUHIVOFAOLLAMP-UHFFFAOYSA-N 1 0 368.481 2.693 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001141158056 1025538933 /nfs/dbraw/zinc/53/89/33/1025538933.db2.gz RTLHBDVIIXSAGB-GOSISDBHSA-N 1 0 356.422 2.695 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)ccc21 ZINC000245955528 1025650903 /nfs/dbraw/zinc/65/09/03/1025650903.db2.gz LUGUAZXKNLSEJZ-AZUAARDMSA-N 1 0 356.514 2.695 20 10 FFCDRO C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000837882107 1026083347 /nfs/dbraw/zinc/08/33/47/1026083347.db2.gz JHBKDUKMGSFHKP-ZWKOTPCHSA-N 1 0 374.529 2.615 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000837882955 1026084855 /nfs/dbraw/zinc/08/48/55/1026084855.db2.gz UHYFAAMWPKMFRD-FXAWDEMLSA-N 1 0 374.529 2.708 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@H]1C1CC1 ZINC000838532640 1026402426 /nfs/dbraw/zinc/40/24/26/1026402426.db2.gz HHIWENAUJCKJCM-NRFANRHFSA-N 1 0 368.525 2.913 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc21 ZINC000246793179 1026450218 /nfs/dbraw/zinc/45/02/18/1026450218.db2.gz IVPILVRRBLKSIS-ICSRJNTNSA-N 1 0 356.514 2.695 20 10 FFCDRO COc1cc(N2CC[NH+](C3CC(OC(C)C)C3)CC2)cc(OC)c1OC ZINC000838931376 1026540339 /nfs/dbraw/zinc/54/03/39/1026540339.db2.gz CPNGEECFKFYFMQ-UHFFFAOYSA-N 1 0 364.486 2.790 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnn(CC(F)F)c2)cc(F)c1N1CCOCC1 ZINC000839144061 1026603930 /nfs/dbraw/zinc/60/39/30/1026603930.db2.gz FPQICZDMKWLRAV-UHFFFAOYSA-N 1 0 372.366 2.553 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000839588544 1026748197 /nfs/dbraw/zinc/74/81/97/1026748197.db2.gz DTLIBPPVWKUFKJ-PWRODBHTSA-N 1 0 373.541 2.774 20 10 FFCDRO OCC1CCN(c2ccc(CNc3cc(NC4CC4)ncn3)cc2)CC1 ZINC000840246947 1027017972 /nfs/dbraw/zinc/01/79/72/1027017972.db2.gz TXEYUPUEKKRQNL-UHFFFAOYSA-N 1 0 353.470 2.872 20 10 FFCDRO CC[C@H](C)OCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092012429 1027196889 /nfs/dbraw/zinc/19/68/89/1027196889.db2.gz QWXNVJDKPOEKNU-KRWDZBQOSA-N 1 0 359.514 2.650 20 10 FFCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092706210 1027409225 /nfs/dbraw/zinc/40/92/25/1027409225.db2.gz KOWRKEBPDMWAEE-LJQANCHMSA-N 1 0 359.514 2.507 20 10 FFCDRO Nc1ccc(CCc2ccc(Nc3cnc(N4CC[NH2+]CC4)nc3)cc2)cc1 ZINC001159552094 1027429701 /nfs/dbraw/zinc/42/97/01/1027429701.db2.gz OHBNCAGBIYJECT-UHFFFAOYSA-N 1 0 374.492 2.997 20 10 FFCDRO COc1ccc(N2CCN(c3ccc(NC4=CC[NH2+]C4)cc3)CC2)cc1 ZINC001159807163 1027506282 /nfs/dbraw/zinc/50/62/82/1027506282.db2.gz AWGXXCUAGDEHMT-UHFFFAOYSA-N 1 0 350.466 2.921 20 10 FFCDRO O=C(c1cccnc1NCc1cc2ccccc2cc1O)N1CC[NH2+]CC1 ZINC001160206096 1027636485 /nfs/dbraw/zinc/63/64/85/1027636485.db2.gz FFVADHMHEYOOOQ-UHFFFAOYSA-N 1 0 362.433 2.598 20 10 FFCDRO Cc1nc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2n1C ZINC001156655493 1029291820 /nfs/dbraw/zinc/29/18/20/1029291820.db2.gz FDQCDIRBDFQBFH-UHFFFAOYSA-N 1 0 350.470 2.641 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3NC(C)(C)C(=O)N3c3ccccc3)cc2)CC1 ZINC000840824302 1029888902 /nfs/dbraw/zinc/88/89/02/1029888902.db2.gz HMALCYDNVCSEAP-FQEVSTJZSA-N 1 0 364.493 2.852 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000840930001 1029931863 /nfs/dbraw/zinc/93/18/63/1029931863.db2.gz FRMSFDMRILALKV-UHFFFAOYSA-N 1 0 367.493 2.823 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840946593 1029939712 /nfs/dbraw/zinc/93/97/12/1029939712.db2.gz AFRZEJXFEHXEMR-UHFFFAOYSA-N 1 0 363.546 2.620 20 10 FFCDRO OCC1([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)CCOCC1 ZINC000840972328 1029955131 /nfs/dbraw/zinc/95/51/31/1029955131.db2.gz KYKFRNYYUYJIQQ-HXUWFJFHSA-N 1 0 371.433 2.741 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])cc3)cc2F)CC1 ZINC000840994512 1029964874 /nfs/dbraw/zinc/96/48/74/1029964874.db2.gz FPEQYRYUXFDTJJ-UHFFFAOYSA-N 1 0 371.456 2.956 20 10 FFCDRO COc1cc2c(c(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)c1)O[C@H](C)C2 ZINC000841042904 1029998650 /nfs/dbraw/zinc/99/86/50/1029998650.db2.gz MPEOGKQPCBYHIB-VLIAUNLRSA-N 1 0 355.482 2.874 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841099807 1030034677 /nfs/dbraw/zinc/03/46/77/1030034677.db2.gz XYNKSQUQPQZJPI-UHFFFAOYSA-N 1 0 368.481 2.587 20 10 FFCDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841165439 1030086415 /nfs/dbraw/zinc/08/64/15/1030086415.db2.gz VQBUKIWGNJYRLD-QGZVFWFLSA-N 1 0 351.410 2.909 20 10 FFCDRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(N(C)C)cc1 ZINC000841321847 1030192366 /nfs/dbraw/zinc/19/23/66/1030192366.db2.gz MHRPBBBMLYZVDH-CZUORRHYSA-N 1 0 353.470 2.846 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3ccc(OCC[NH3+])cc3)ccc21 ZINC000841323901 1030195976 /nfs/dbraw/zinc/19/59/76/1030195976.db2.gz DIZXTWLXYFEWDQ-UHFFFAOYSA-N 1 0 354.454 2.728 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841706360 1030417328 /nfs/dbraw/zinc/41/73/28/1030417328.db2.gz DJEAPOOXIXJROD-HXUWFJFHSA-N 1 0 374.554 2.525 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841709337 1030420379 /nfs/dbraw/zinc/42/03/79/1030420379.db2.gz DRCPWUBHGLWYEP-IBGZPJMESA-N 1 0 356.514 2.818 20 10 FFCDRO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841747037 1030445246 /nfs/dbraw/zinc/44/52/46/1030445246.db2.gz NFZHGZFOCHBSSV-MRXNPFEDSA-N 1 0 352.482 2.557 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000841762112 1030449842 /nfs/dbraw/zinc/44/98/42/1030449842.db2.gz VBERFPGWFXEPTF-SJORKVTESA-N 1 0 362.493 2.813 20 10 FFCDRO CC(C)[C@H]([NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782280 1030462527 /nfs/dbraw/zinc/46/25/27/1030462527.db2.gz KYVCRHUALTYWGA-MRXNPFEDSA-N 1 0 370.444 2.539 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841823659 1030487811 /nfs/dbraw/zinc/48/78/11/1030487811.db2.gz GAXDCQOFDRXKRK-OALUTQOASA-N 1 0 358.530 2.982 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000841938894 1030554547 /nfs/dbraw/zinc/55/45/47/1030554547.db2.gz CFWHEJIVMVPXHX-HXUWFJFHSA-N 1 0 374.529 2.572 20 10 FFCDRO COC[C@@]1(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000841992930 1030569891 /nfs/dbraw/zinc/56/98/91/1030569891.db2.gz CHOBZDFTVVGBTM-NRFANRHFSA-N 1 0 374.529 2.587 20 10 FFCDRO Cc1cc(C(=O)CONC(=[NH2+])COC(C)C)c(C)n1-c1ccc(F)cn1 ZINC000842024203 1030580608 /nfs/dbraw/zinc/58/06/08/1030580608.db2.gz DEBQARUOKNBYDG-UHFFFAOYSA-N 1 0 362.405 2.734 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4nonc43)CC2)c(OC)c1 ZINC001203142733 1030626892 /nfs/dbraw/zinc/62/68/92/1030626892.db2.gz MZWKYQPTOCIMNQ-UHFFFAOYSA-N 1 0 354.410 2.562 20 10 FFCDRO O=C(C[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1O)CC2)N1CCCC1 ZINC001203552727 1030761984 /nfs/dbraw/zinc/76/19/84/1030761984.db2.gz RRIUBSHZDPJCGH-KRWDZBQOSA-N 1 0 358.482 2.776 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001203552514 1030765386 /nfs/dbraw/zinc/76/53/86/1030765386.db2.gz NEWFQADBJFSLGO-SFHVURJKSA-N 1 0 360.408 2.920 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001203591229 1030776752 /nfs/dbraw/zinc/77/67/52/1030776752.db2.gz DUBCQSOKWNQCAY-LAUBAEHRSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c(O)c1 ZINC001203623084 1030792598 /nfs/dbraw/zinc/79/25/98/1030792598.db2.gz HRGMLTFFBKDTSI-FQEVSTJZSA-N 1 0 354.454 2.683 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC001203634867 1030798036 /nfs/dbraw/zinc/79/80/36/1030798036.db2.gz YWOKLCNNYWUZDU-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(Br)ccc2O)C(C)C)C1 ZINC001203649785 1030806032 /nfs/dbraw/zinc/80/60/32/1030806032.db2.gz GQLXRTLSMNUALG-OAHLLOKOSA-N 1 0 355.276 2.986 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001203657894 1030807650 /nfs/dbraw/zinc/80/76/50/1030807650.db2.gz IAHGYOAVLCVKSB-OALUTQOASA-N 1 0 373.884 2.916 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001203658789 1030813001 /nfs/dbraw/zinc/81/30/01/1030813001.db2.gz OVKQTBIJIYTDGV-BEFAXECRSA-N 1 0 360.841 2.968 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC001203671584 1030816873 /nfs/dbraw/zinc/81/68/73/1030816873.db2.gz SKDWFQQBCCEEQE-UHFFFAOYSA-N 1 0 362.451 2.635 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c1 ZINC001203672671 1030817865 /nfs/dbraw/zinc/81/78/65/1030817865.db2.gz AGICAAVTTPWQHG-UHFFFAOYSA-N 1 0 354.450 2.573 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC001203672687 1030819299 /nfs/dbraw/zinc/81/92/99/1030819299.db2.gz AQDVZTOFOMCMRP-YLJYHZDGSA-N 1 0 354.450 2.738 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203680202 1030823369 /nfs/dbraw/zinc/82/33/69/1030823369.db2.gz KNBFEFLUARPRBD-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO COCCOc1cccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC001203680451 1030824147 /nfs/dbraw/zinc/82/41/47/1030824147.db2.gz YQMSUPSGPQRMRR-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879126 1030954629 /nfs/dbraw/zinc/95/46/29/1030954629.db2.gz MDGJMUHWIQOOFH-JOCHJYFZSA-N 1 0 364.445 2.998 20 10 FFCDRO CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933172 1030993123 /nfs/dbraw/zinc/99/31/23/1030993123.db2.gz IJKHVRGNLHKOJE-HXUWFJFHSA-N 1 0 373.541 2.896 20 10 FFCDRO CN(C)C(=O)C1CC[NH+](C2CCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC001203932770 1030993406 /nfs/dbraw/zinc/99/34/06/1030993406.db2.gz CAVLNAQOZFQOAJ-UHFFFAOYSA-N 1 0 372.557 2.517 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)cc1 ZINC001203934063 1030993458 /nfs/dbraw/zinc/99/34/58/1030993458.db2.gz SVEQUBRIAUYTQF-UNMCSNQZSA-N 1 0 364.493 2.676 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)cc1 ZINC001203939004 1030997688 /nfs/dbraw/zinc/99/76/88/1030997688.db2.gz ILMZUALMRQPHAE-AQNXPRMDSA-N 1 0 359.514 2.789 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203945995 1031003129 /nfs/dbraw/zinc/00/31/29/1031003129.db2.gz RAMBDQZMNJDKTP-FQEVSTJZSA-N 1 0 361.530 2.992 20 10 FFCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204235118 1031179279 /nfs/dbraw/zinc/17/92/79/1031179279.db2.gz GMZQCZCHGBJXPA-KKSFZXQISA-N 1 0 354.450 2.527 20 10 FFCDRO COC[C@H]1CN(Cc2ccc(N(C)C)c3ccccc23)Cc2nnn(C)c21 ZINC001204235776 1031179745 /nfs/dbraw/zinc/17/97/45/1031179745.db2.gz PWVXRTMIXGJTLI-MRXNPFEDSA-N 1 0 365.481 2.780 20 10 FFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204240200 1031181580 /nfs/dbraw/zinc/18/15/80/1031181580.db2.gz LNODDQYQCUJONV-IBGZPJMESA-N 1 0 368.477 2.917 20 10 FFCDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843116203 1031191538 /nfs/dbraw/zinc/19/15/38/1031191538.db2.gz MNUPWRTYTHLKSI-OAQYLSRUSA-N 1 0 367.493 2.678 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]2CN1c1cccnc1 ZINC001204327370 1031228399 /nfs/dbraw/zinc/22/83/99/1031228399.db2.gz RGOJTWJTXSUWLL-RXVVDRJESA-N 1 0 362.477 2.777 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001204340118 1031234082 /nfs/dbraw/zinc/23/40/82/1031234082.db2.gz CXTCXSLPKZZSNX-ZWNOBZJWSA-N 1 0 354.244 2.964 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc(O)c1O ZINC001204347501 1031243323 /nfs/dbraw/zinc/24/33/23/1031243323.db2.gz UJWKUQWRZWYCHP-IHRRRGAJSA-N 1 0 364.442 2.594 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)cc(O)c1O ZINC001204347920 1031245973 /nfs/dbraw/zinc/24/59/73/1031245973.db2.gz CYWZRPDOOUBMMD-JFIYKMOQSA-N 1 0 365.470 2.901 20 10 FFCDRO Cc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000843338407 1031334019 /nfs/dbraw/zinc/33/40/19/1031334019.db2.gz UBWJFWQYHDQQCV-UHFFFAOYSA-N 1 0 374.916 2.725 20 10 FFCDRO Cc1ccccc1CCNC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349583 1031343020 /nfs/dbraw/zinc/34/30/20/1031343020.db2.gz FEWAICWNQNJJII-KRWDZBQOSA-N 1 0 351.494 2.954 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000843487495 1031425477 /nfs/dbraw/zinc/42/54/77/1031425477.db2.gz HSQDTMRWHRIOIL-QFBILLFUSA-N 1 0 354.450 2.861 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cnn(C)c4)C3)C2)cc1 ZINC001204984976 1031480047 /nfs/dbraw/zinc/48/00/47/1031480047.db2.gz GXOJNYWGBPQFKT-OAQYLSRUSA-N 1 0 370.497 2.548 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205855997 1032034108 /nfs/dbraw/zinc/03/41/08/1032034108.db2.gz RQMZLVBGGMWBHZ-RDJZCZTQSA-N 1 0 364.486 2.674 20 10 FFCDRO COc1cccc(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1O ZINC000830540491 1033662485 /nfs/dbraw/zinc/66/24/85/1033662485.db2.gz LAQNTOOJTPJMKW-IBGZPJMESA-N 1 0 368.477 2.972 20 10 FFCDRO CN(C)c1ccc(CN2C[C@@]3(F)C[N@@H+](C4CCCC4)C[C@@]3(F)C2=O)cc1 ZINC001276944541 1033710712 /nfs/dbraw/zinc/71/07/12/1033710712.db2.gz QKRGUUIUVLOGEO-WOJBJXKFSA-N 1 0 363.452 2.770 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)NC[C@]3(F)CCC[NH2+]C3)cs2)cc1 ZINC001219771744 1033807364 /nfs/dbraw/zinc/80/73/64/1033807364.db2.gz REKOVUCBNQRIHU-SFHVURJKSA-N 1 0 362.474 2.698 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3c4ccccc4n(C)c3C)C2)nc1 ZINC001138259140 1034030190 /nfs/dbraw/zinc/03/01/90/1034030190.db2.gz CHIJWFBKCZXDHB-HNNXBMFYSA-N 1 0 352.438 2.939 20 10 FFCDRO Oc1c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc2c3c1CCCN3CCC2 ZINC001138339100 1034169855 /nfs/dbraw/zinc/16/98/55/1034169855.db2.gz AMBVZUVLDFYQGB-IYBDPMFKSA-N 1 0 364.436 2.805 20 10 FFCDRO Oc1c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc2c3c1CCCN3CCC2 ZINC001138339712 1034170156 /nfs/dbraw/zinc/17/01/56/1034170156.db2.gz JEDSSYNVJDGBGI-KRWDZBQOSA-N 1 0 353.470 2.520 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)cc2c3c1CCCN3CCC2 ZINC001138341417 1034172027 /nfs/dbraw/zinc/17/20/27/1034172027.db2.gz ODPSQWKKQDUUFN-QGZVFWFLSA-N 1 0 366.465 2.534 20 10 FFCDRO CN1CC2(CC1=O)CC[NH+](Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138342594 1034172624 /nfs/dbraw/zinc/17/26/24/1034172624.db2.gz UJBAMOOOUPAXDP-UHFFFAOYSA-N 1 0 369.509 2.535 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1)C1CC1 ZINC001138343028 1034174849 /nfs/dbraw/zinc/17/48/49/1034174849.db2.gz WKJCSJSMPJLYNB-GOSISDBHSA-N 1 0 369.509 2.582 20 10 FFCDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000831654716 1034182115 /nfs/dbraw/zinc/18/21/15/1034182115.db2.gz LIIBOLUYCADJGQ-CTNGQTDRSA-N 1 0 363.546 2.590 20 10 FFCDRO COCCN1CC[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2cccnc21 ZINC001138357360 1034195301 /nfs/dbraw/zinc/19/53/01/1034195301.db2.gz REGFBEJSUJGCKU-UHFFFAOYSA-N 1 0 366.509 2.933 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(OC)c1 ZINC001138392497 1034228535 /nfs/dbraw/zinc/22/85/35/1034228535.db2.gz XWTOYESXKQNQEW-UHFFFAOYSA-N 1 0 359.514 2.986 20 10 FFCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138495742 1034333313 /nfs/dbraw/zinc/33/33/13/1034333313.db2.gz GOTHHQOBOOERGF-LEWJYISDSA-N 1 0 360.498 2.541 20 10 FFCDRO O[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676575 1034537640 /nfs/dbraw/zinc/53/76/40/1034537640.db2.gz NYKIKONKJUOIPQ-OAHLLOKOSA-N 1 0 369.303 2.633 20 10 FFCDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279900 1034697040 /nfs/dbraw/zinc/69/70/40/1034697040.db2.gz MNMHNXRQTSGKGB-XIKOKIGWSA-N 1 0 363.408 2.614 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000832284861 1034702866 /nfs/dbraw/zinc/70/28/66/1034702866.db2.gz NMQNJOIGZIDQRR-LJQANCHMSA-N 1 0 366.465 2.531 20 10 FFCDRO CC(C)n1ncc2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cnc21 ZINC000832293271 1034707407 /nfs/dbraw/zinc/70/74/07/1034707407.db2.gz TVNHWSLTDBHNPY-SFHVURJKSA-N 1 0 366.469 2.508 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]4CCC[C@@H]34)cc2F)CC1 ZINC001226823461 1034853153 /nfs/dbraw/zinc/85/31/53/1034853153.db2.gz CMTBCKVYJCWNPW-YQVWRLOYSA-N 1 0 374.504 2.955 20 10 FFCDRO CC[N@H+](Cc1cnc(N2CCN(C)CC2)s1)Cc1ccc(N(C)C)cc1 ZINC001139325760 1035058857 /nfs/dbraw/zinc/05/88/57/1035058857.db2.gz YZVIOMFRCOCZIK-UHFFFAOYSA-N 1 0 373.570 2.983 20 10 FFCDRO COCCN1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)Cc2cccnc21 ZINC001139670802 1035193847 /nfs/dbraw/zinc/19/38/47/1035193847.db2.gz AFBVLXOKPAKYNF-UHFFFAOYSA-N 1 0 354.498 2.925 20 10 FFCDRO COC[C@@H]1Cn2nccc2CN(Cc2c(O)cccc2Br)C1 ZINC001140100814 1035341730 /nfs/dbraw/zinc/34/17/30/1035341730.db2.gz CWBXOFMQODRIFQ-LBPRGKRZSA-N 1 0 366.259 2.630 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140102562 1035342850 /nfs/dbraw/zinc/34/28/50/1035342850.db2.gz RZHBVNLVIHFRRN-LLVKDONJSA-N 1 0 350.216 2.598 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)c1O ZINC001140181388 1035370456 /nfs/dbraw/zinc/37/04/56/1035370456.db2.gz UBUPLICRPOQVQJ-MISYRCLQSA-N 1 0 372.509 2.905 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](CC)[NH+](C)C ZINC000834514025 1035402482 /nfs/dbraw/zinc/40/24/82/1035402482.db2.gz GTKLSGPGPIKFJK-SFHVURJKSA-N 1 0 363.502 2.715 20 10 FFCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000834517973 1035403024 /nfs/dbraw/zinc/40/30/24/1035403024.db2.gz BAZYWFGLYFXBFP-PMPSAXMXSA-N 1 0 358.461 2.950 20 10 FFCDRO CCc1noc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)n1 ZINC001140288641 1035420060 /nfs/dbraw/zinc/42/00/60/1035420060.db2.gz XRPGGZJGNAHJBM-UHFFFAOYSA-N 1 0 370.497 2.973 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464439 1035484795 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368.437 2.837 20 10 FFCDRO COc1cc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c(O)cc1O ZINC001231636815 1037759015 /nfs/dbraw/zinc/75/90/15/1037759015.db2.gz AHHHLTRJTRWRTQ-GXTWGEPZSA-N 1 0 366.458 2.842 20 10 FFCDRO CCOC(=O)C1(C(C)C)CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231639631 1037760761 /nfs/dbraw/zinc/76/07/61/1037760761.db2.gz YAUNOZWRQFVYBP-UHFFFAOYSA-N 1 0 351.443 2.908 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)cc1O ZINC001231639739 1037762194 /nfs/dbraw/zinc/76/21/94/1037762194.db2.gz IMIVOBYCEDHLCR-GXTWGEPZSA-N 1 0 366.458 2.984 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC001207850735 1037785886 /nfs/dbraw/zinc/78/58/86/1037785886.db2.gz QBRSIKACHCQXMO-LEWJYISDSA-N 1 0 360.498 2.793 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)c(O)c1 ZINC001231844074 1037940931 /nfs/dbraw/zinc/94/09/31/1037940931.db2.gz DQZKLDAVRCVGIS-LJQANCHMSA-N 1 0 366.527 2.789 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c(O)c1 ZINC001231844362 1037944310 /nfs/dbraw/zinc/94/43/10/1037944310.db2.gz JPVFPINJWHFWLU-NRFANRHFSA-N 1 0 368.481 2.762 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(C)(C(=O)N2CCCC2)CC1 ZINC001231853902 1037951196 /nfs/dbraw/zinc/95/11/96/1037951196.db2.gz UEOHQSJYWSFNFM-UHFFFAOYSA-N 1 0 359.514 2.986 20 10 FFCDRO CCN1C[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)CC[C@H]2S1(=O)=O ZINC001231868129 1037965548 /nfs/dbraw/zinc/96/55/48/1037965548.db2.gz RJXLHTYPOHUCIJ-CXAGYDPISA-N 1 0 372.918 2.600 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231872457 1037969473 /nfs/dbraw/zinc/96/94/73/1037969473.db2.gz ZRIHTXTYSCTPEF-UHFFFAOYSA-N 1 0 354.878 2.861 20 10 FFCDRO COc1cc(O)c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc1Br ZINC001236242300 1038001519 /nfs/dbraw/zinc/00/15/19/1038001519.db2.gz VGDWZMCIBLDNBJ-CYBMUJFWSA-N 1 0 355.276 2.880 20 10 FFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4[O-])C[C@@H]32)N=C1C ZINC001231911716 1038006987 /nfs/dbraw/zinc/00/69/87/1038006987.db2.gz PEQQDDDDYGOQFE-FRIZHTMISA-N 1 0 361.873 2.907 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911833 1038007889 /nfs/dbraw/zinc/00/78/89/1038007889.db2.gz QVKAUCLMAULZOD-KRWDZBQOSA-N 1 0 372.918 2.826 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001276554051 1038026894 /nfs/dbraw/zinc/02/68/94/1038026894.db2.gz ZQVPOOASPMLDRU-VBKZILBWSA-N 1 0 362.470 2.807 20 10 FFCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(OC)c(Br)cc3O)C[C@@H]2C1 ZINC001236749462 1038232408 /nfs/dbraw/zinc/23/24/08/1038232408.db2.gz CKOBRELSEUVMTQ-KBPBESRZSA-N 1 0 369.303 2.937 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)cc1Br ZINC001236748142 1038232737 /nfs/dbraw/zinc/23/27/37/1038232737.db2.gz LLESNVYUMVEMQP-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cc(CN2CCn3c(C)ncc3C2)c(O)cc1Br ZINC001236749172 1038233781 /nfs/dbraw/zinc/23/37/81/1038233781.db2.gz ZMHPXZRQUJMLKF-UHFFFAOYSA-N 1 0 352.232 2.684 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)c(O)c1 ZINC001236785791 1038265238 /nfs/dbraw/zinc/26/52/38/1038265238.db2.gz BRHADXVUZXULRZ-KZNAEPCWSA-N 1 0 372.490 2.645 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(O)c1 ZINC001236809919 1038283038 /nfs/dbraw/zinc/28/30/38/1038283038.db2.gz UDVOJSISCDITIM-GJZGRUSLSA-N 1 0 359.495 2.730 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(Oc4ccccc4)C3)c(F)c2)CC1 ZINC001236938793 1038368153 /nfs/dbraw/zinc/36/81/53/1038368153.db2.gz NLMZKVZYGGZFLC-UHFFFAOYSA-N 1 0 355.457 2.841 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC4(C3)C[C@@H](F)CS4)c(F)c2)CC1 ZINC001236944109 1038372228 /nfs/dbraw/zinc/37/22/28/1038372228.db2.gz ZWWBALOXBIPHLW-OAHLLOKOSA-N 1 0 353.482 2.607 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H]2C(F)(F)F)c1O ZINC001236983842 1038398452 /nfs/dbraw/zinc/39/84/52/1038398452.db2.gz WZJGROVGBOZWGG-NSHDSACASA-N 1 0 353.182 2.799 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237055631 1038425690 /nfs/dbraw/zinc/42/56/90/1038425690.db2.gz HMLMXGANOOEIAZ-CYBMUJFWSA-N 1 0 360.376 2.634 20 10 FFCDRO COc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)c(Br)c1 ZINC001237073072 1038436656 /nfs/dbraw/zinc/43/66/56/1038436656.db2.gz NVSFBPJEOIIULL-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO CO[C@H](C)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001256237064 1038445343 /nfs/dbraw/zinc/44/53/43/1038445343.db2.gz PYGLBVPYTVBSLB-VQIMIIECSA-N 1 0 364.534 2.810 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001237124847 1038450993 /nfs/dbraw/zinc/45/09/93/1038450993.db2.gz FPDMOBYFXBSDEP-CYBMUJFWSA-N 1 0 360.376 2.587 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001256448994 1038517539 /nfs/dbraw/zinc/51/75/39/1038517539.db2.gz VSXXRHGUJXUYSQ-HACGYAERSA-N 1 0 366.458 2.509 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1 ZINC001278614647 1038813471 /nfs/dbraw/zinc/81/34/71/1038813471.db2.gz CMHIVOLAKMDVQU-RDJZCZTQSA-N 1 0 358.404 2.928 20 10 FFCDRO CC[N@H+](Cc1ccccc1O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001250939302 1038833513 /nfs/dbraw/zinc/83/35/13/1038833513.db2.gz BNQZXACMXURHSR-UHFFFAOYSA-N 1 0 364.486 2.976 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001278623989 1038921191 /nfs/dbraw/zinc/92/11/91/1038921191.db2.gz SLURNPNXZHNMFZ-UHFFFAOYSA-N 1 0 359.489 2.723 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209517881 1038949644 /nfs/dbraw/zinc/94/96/44/1038949644.db2.gz LETNCYRTDSEQQV-UHFFFAOYSA-N 1 0 355.482 2.821 20 10 FFCDRO CC[N@H+](Cc1ccccc1O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251302902 1039058541 /nfs/dbraw/zinc/05/85/41/1039058541.db2.gz FOZBZWDNLRSIGE-HXUWFJFHSA-N 1 0 364.486 2.976 20 10 FFCDRO CCOC(=O)CCC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001258130480 1039206047 /nfs/dbraw/zinc/20/60/47/1039206047.db2.gz IRUIUKFLJWAHKM-INIZCTEOSA-N 1 0 364.486 2.948 20 10 FFCDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CN1 ZINC001246171473 1039264353 /nfs/dbraw/zinc/26/43/53/1039264353.db2.gz WGZFBVQOWHJOTC-HKUYNNGSSA-N 1 0 359.514 2.839 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@]23CCN(CC2CCOCC2)C3=O)c1O ZINC001276683564 1039521409 /nfs/dbraw/zinc/52/14/09/1039521409.db2.gz MTUWFAQFXHRGAE-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO Oc1cc(O)c(CC[NH2+]C[C@H](O)COc2cccc3ccccc32)cc1O ZINC001252395797 1039527935 /nfs/dbraw/zinc/52/79/35/1039527935.db2.gz JERSFPXJAMCANN-INIZCTEOSA-N 1 0 369.417 2.529 20 10 FFCDRO COCCn1c2ccc(F)cc2nc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001247019461 1039583833 /nfs/dbraw/zinc/58/38/33/1039583833.db2.gz LZDFKHXMQHUBPH-UHFFFAOYSA-N 1 0 354.429 2.898 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2c(C)cc(C)cc2O)cc1 ZINC001253070050 1039961601 /nfs/dbraw/zinc/96/16/01/1039961601.db2.gz CTFOTEPFZIHYIC-SFHVURJKSA-N 1 0 359.466 2.727 20 10 FFCDRO CCCCC[C@@H](O)C[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001253538850 1040231306 /nfs/dbraw/zinc/23/13/06/1040231306.db2.gz SIAZGFNCYHQSPN-LJQANCHMSA-N 1 0 350.503 2.775 20 10 FFCDRO C[C@H]([NH2+]C[C@@](C)(O)C(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001253658300 1040294980 /nfs/dbraw/zinc/29/49/80/1040294980.db2.gz PQWIRKFGAPURJY-HRAATJIYSA-N 1 0 356.466 2.898 20 10 FFCDRO Cc1ccccc1CS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001260025673 1040359479 /nfs/dbraw/zinc/35/94/79/1040359479.db2.gz GGAVJJNECVKSFV-UHFFFAOYSA-N 1 0 374.506 2.785 20 10 FFCDRO CC(C)NC(=O)N1CCC[C@]2(CCC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001278750126 1040458307 /nfs/dbraw/zinc/45/83/07/1040458307.db2.gz FWEBPYHPRAMRAO-FQEVSTJZSA-N 1 0 361.486 2.894 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001254188512 1040605586 /nfs/dbraw/zinc/60/55/86/1040605586.db2.gz MGUJXFZJMWMMIU-AWEZNQCLSA-N 1 0 366.458 2.725 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCN(C)Cc2ccccc2)c(O)c1 ZINC001249217032 1040631566 /nfs/dbraw/zinc/63/15/66/1040631566.db2.gz LGOAABUWZBJWBH-UHFFFAOYSA-N 1 0 356.466 2.672 20 10 FFCDRO C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C1CCS(=O)(=O)CC1 ZINC001249251950 1040654692 /nfs/dbraw/zinc/65/46/92/1040654692.db2.gz CLCGZGGVDPEHIP-UHFFFAOYSA-N 1 0 351.468 2.585 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(O)c1 ZINC001249735398 1040969416 /nfs/dbraw/zinc/96/94/16/1040969416.db2.gz MQEIJJWZGDRULI-FQEVSTJZSA-N 1 0 363.454 2.869 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC001254809981 1040974081 /nfs/dbraw/zinc/97/40/81/1040974081.db2.gz QSGZYGHNWADNIL-KRWDZBQOSA-N 1 0 374.481 2.880 20 10 FFCDRO Cc1cc(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)cc1Br ZINC001250133021 1041124332 /nfs/dbraw/zinc/12/43/32/1041124332.db2.gz GPRKHPJWMMRHKV-UHFFFAOYSA-N 1 0 369.259 2.880 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CCCNC3=O)CC2)c(O)cc1Br ZINC001250128450 1041124538 /nfs/dbraw/zinc/12/45/38/1041124538.db2.gz FARFBOIYPKGVHJ-UHFFFAOYSA-N 1 0 367.287 2.955 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)c1O ZINC001278562966 1041180697 /nfs/dbraw/zinc/18/06/97/1041180697.db2.gz PDYUUMAISZGWDP-FQEVSTJZSA-N 1 0 356.470 2.612 20 10 FFCDRO CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001278605818 1041392994 /nfs/dbraw/zinc/39/29/94/1041392994.db2.gz JVUHPZBHOCKFHC-UHFFFAOYSA-N 1 0 353.457 2.520 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001262569415 1041726995 /nfs/dbraw/zinc/72/69/95/1041726995.db2.gz YBBBGRQTEAILRW-OAQYLSRUSA-N 1 0 372.513 2.592 20 10 FFCDRO Oc1ccc(CN2CCC[C@@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cc1O ZINC001279142174 1042916296 /nfs/dbraw/zinc/91/62/96/1042916296.db2.gz PIRNMPNELGSKMS-HXUWFJFHSA-N 1 0 356.470 2.699 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCN(COCCOC)C3)cc1 ZINC001279149257 1042919790 /nfs/dbraw/zinc/91/97/90/1042919790.db2.gz CQAZQGAEPXFROZ-UHFFFAOYSA-N 1 0 361.530 2.661 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(CN(CCn4ccnc4)C3)C2)cc1 ZINC001279149320 1042920734 /nfs/dbraw/zinc/92/07/34/1042920734.db2.gz DYUHNVRAUVEEOK-UHFFFAOYSA-N 1 0 353.514 2.547 20 10 FFCDRO Oc1ccc(F)cc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCCC(F)(F)F ZINC001279197705 1042941955 /nfs/dbraw/zinc/94/19/55/1042941955.db2.gz XVTWSWUOKPUCDR-ZBFHGGJFSA-N 1 0 362.367 2.759 20 10 FFCDRO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC001279230366 1042956375 /nfs/dbraw/zinc/95/63/75/1042956375.db2.gz FJAOPKWUIKMGGJ-AZUAARDMSA-N 1 0 356.514 2.911 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001279432510 1043106532 /nfs/dbraw/zinc/10/65/32/1043106532.db2.gz KKZVCIFHAJATJG-NRFANRHFSA-N 1 0 362.514 2.917 20 10 FFCDRO COc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1Br ZINC001237409395 1043146481 /nfs/dbraw/zinc/14/64/81/1043146481.db2.gz AMLHLIIMELFJOH-BXUZGUMPSA-N 1 0 355.276 2.737 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cc(Cl)ccc2O)c1 ZINC001237437241 1043161576 /nfs/dbraw/zinc/16/15/76/1043161576.db2.gz UEVIBYNESIBECE-QGZVFWFLSA-N 1 0 360.841 2.979 20 10 FFCDRO COC(=O)c1cc2c(nc1N(C)C)CC[N@H+](Cc1c(C)cccc1O)CC2 ZINC001237485312 1043197783 /nfs/dbraw/zinc/19/77/83/1043197783.db2.gz GNYZRGUCGWTIOZ-UHFFFAOYSA-N 1 0 369.465 2.549 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001237485320 1043198517 /nfs/dbraw/zinc/19/85/17/1043198517.db2.gz GQCDKONMGYNZEE-QKYXUNIQSA-N 1 0 358.482 2.739 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001237489528 1043202300 /nfs/dbraw/zinc/20/23/00/1043202300.db2.gz BRLXJCBAVNTSLJ-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c(O)c(OC)c1 ZINC001237674492 1043303659 /nfs/dbraw/zinc/30/36/59/1043303659.db2.gz SCTANGXHPJOKOS-FQEVSTJZSA-N 1 0 362.470 2.776 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(O)c(OC)c1 ZINC001237683128 1043308977 /nfs/dbraw/zinc/30/89/77/1043308977.db2.gz FITJWIDOBMJKQG-UHFFFAOYSA-N 1 0 362.401 2.987 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@H]1c1ccccc1 ZINC001237684216 1043310980 /nfs/dbraw/zinc/31/09/80/1043310980.db2.gz OPIWCOKRFHASRH-ZWKOTPCHSA-N 1 0 371.433 2.798 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237690934 1043315830 /nfs/dbraw/zinc/31/58/30/1043315830.db2.gz UZRVSPPLVAURJY-MRXNPFEDSA-N 1 0 354.878 2.813 20 10 FFCDRO CC(C)C[NH+]1CCN(Cc2cccc(I)c2O)CC1 ZINC001237779295 1043354072 /nfs/dbraw/zinc/35/40/72/1043354072.db2.gz XTFOOEKEWBHMTE-UHFFFAOYSA-N 1 0 374.266 2.770 20 10 FFCDRO CCC1=NC2(CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)C(=O)N1C ZINC001237803304 1043367762 /nfs/dbraw/zinc/36/77/62/1043367762.db2.gz SDUYBCIIVYNBTE-UHFFFAOYSA-N 1 0 353.825 2.800 20 10 FFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(Br)cc1O ZINC001279672476 1043441972 /nfs/dbraw/zinc/44/19/72/1043441972.db2.gz IUDQMWZNYLTODJ-YHWZYXNKSA-N 1 0 355.276 2.878 20 10 FFCDRO CC(C)NC(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C(C)C)cc3O)C[C@H]21 ZINC001279674173 1043445038 /nfs/dbraw/zinc/44/50/38/1043445038.db2.gz SBLWHMGQRMCUBV-MJGOQNOKSA-N 1 0 361.486 2.519 20 10 FFCDRO COc1cc(O)c(CN2CC3(C2)C[NH+](CCCC(F)(F)F)C3)cc1OC ZINC001279676224 1043449180 /nfs/dbraw/zinc/44/91/80/1043449180.db2.gz UJQFKQAFUFFGEL-UHFFFAOYSA-N 1 0 374.403 2.870 20 10 FFCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1c(O)ccc(Cl)c1Cl ZINC001279677013 1043450456 /nfs/dbraw/zinc/45/04/56/1043450456.db2.gz WOVNZXVWWYXSBM-BETUJISGSA-N 1 0 358.313 2.909 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NC(C)(C)C)cc(O)c1O ZINC001279859482 1043783766 /nfs/dbraw/zinc/78/37/66/1043783766.db2.gz BBEZSVDLVYUZGV-OSRSDYAFSA-N 1 0 362.470 2.525 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1F ZINC001311935940 1044005219 /nfs/dbraw/zinc/00/52/19/1044005219.db2.gz UATVDLLBNIBQIT-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1F ZINC001311935939 1044005336 /nfs/dbraw/zinc/00/53/36/1044005336.db2.gz UATVDLLBNIBQIT-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO O=C(C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2O1)N1CCCC12CC2 ZINC001279971057 1044008367 /nfs/dbraw/zinc/00/83/67/1044008367.db2.gz NSBVEODRHADDDW-AOIWGVFYSA-N 1 0 356.466 2.527 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279971148 1044008861 /nfs/dbraw/zinc/00/88/61/1044008861.db2.gz QYHXUDXQPFNNKV-KRWDZBQOSA-N 1 0 360.498 2.879 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)c1O ZINC001279977460 1044024520 /nfs/dbraw/zinc/02/45/20/1044024520.db2.gz MTHULNADCQHYKG-DRUAIGIBSA-N 1 0 362.445 2.762 20 10 FFCDRO COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279983421 1044033702 /nfs/dbraw/zinc/03/37/02/1044033702.db2.gz KEXJZQZDQTWYNI-ZSBFGKGUSA-N 1 0 366.889 2.608 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)c1 ZINC001279984894 1044038239 /nfs/dbraw/zinc/03/82/39/1044038239.db2.gz TVPGUTPKWATTHX-OAHLLOKOSA-N 1 0 364.511 2.623 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(N)=O)c2ccccc23)c(O)c1 ZINC001280046064 1044132497 /nfs/dbraw/zinc/13/24/97/1044132497.db2.gz GUHDXSYKIUYYON-IBGZPJMESA-N 1 0 352.434 2.749 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)NCc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001312816167 1044174785 /nfs/dbraw/zinc/17/47/85/1044174785.db2.gz OYGFGSFVEVUKHM-RDTXWAMCSA-N 1 0 357.429 2.994 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(O)CCc4ccccc43)cc2F)CC1 ZINC001319640489 1045224958 /nfs/dbraw/zinc/22/49/58/1045224958.db2.gz QDCPDYGDALNLJM-JOCHJYFZSA-N 1 0 369.484 2.501 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC001320131525 1045353988 /nfs/dbraw/zinc/35/39/88/1045353988.db2.gz TUDLHNBDCWSHGY-RDJZCZTQSA-N 1 0 374.506 2.958 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320824294 1045475452 /nfs/dbraw/zinc/47/54/52/1045475452.db2.gz GNVWSSMJMPYVKM-UHFFFAOYSA-N 1 0 373.210 2.665 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001323831849 1045743217 /nfs/dbraw/zinc/74/32/17/1045743217.db2.gz ZSZXSYHPXNSSFC-DOTOQJQBSA-N 1 0 359.514 2.829 20 10 FFCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325337189 1046474029 /nfs/dbraw/zinc/47/40/29/1046474029.db2.gz CPMVQRMYRRJQND-IRLDBZIGSA-N 1 0 369.484 2.980 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CC[C@@](C)(O)c3ccccc3)cc2F)CC1 ZINC001325879824 1046672022 /nfs/dbraw/zinc/67/20/22/1046672022.db2.gz KEFVAEXJPABJJR-JOCHJYFZSA-N 1 0 371.500 2.965 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cc2F)CC1 ZINC001331397785 1047914408 /nfs/dbraw/zinc/91/44/08/1047914408.db2.gz FLLARMMAIKDCNV-UGKGYDQZSA-N 1 0 369.484 2.885 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC001328048155 1048155679 /nfs/dbraw/zinc/15/56/79/1048155679.db2.gz XZYNVKOCUSCKCZ-QGZVFWFLSA-N 1 0 374.529 2.647 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC001332087049 1048242052 /nfs/dbraw/zinc/24/20/52/1048242052.db2.gz FHGNMDXSQGVKEV-FXAWDEMLSA-N 1 0 359.514 2.650 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2F)CC1 ZINC000735487258 1048591470 /nfs/dbraw/zinc/59/14/70/1048591470.db2.gz FSNLRKIEENQGCC-UHFFFAOYSA-N 1 0 359.405 2.883 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)ccc1N1CCCCC1 ZINC000736648122 1048629048 /nfs/dbraw/zinc/62/90/48/1048629048.db2.gz PELZMHJNZVTJSW-MRXNPFEDSA-N 1 0 355.442 2.955 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001295275179 1049912822 /nfs/dbraw/zinc/91/28/22/1049912822.db2.gz JFTRIPOHVNEROO-FQEVSTJZSA-N 1 0 357.498 2.751 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001341629341 1050255629 /nfs/dbraw/zinc/25/56/29/1050255629.db2.gz DCIJMLMJJMTSQD-GIVPXCGWSA-N 1 0 371.525 2.792 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001341711774 1050332957 /nfs/dbraw/zinc/33/29/57/1050332957.db2.gz HTCRQZUJVNNJEX-UHFFFAOYSA-N 1 0 371.460 2.755 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCCC34CC[NH2+]CC4)C2)cc1 ZINC001340721050 1051081870 /nfs/dbraw/zinc/08/18/70/1051081870.db2.gz TXCNGGYKDDABSO-XLIONFOSSA-N 1 0 371.525 2.950 20 10 FFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@H]1OC ZINC001307745614 1052344227 /nfs/dbraw/zinc/34/42/27/1052344227.db2.gz QZQNCRRZFANPFL-CWFSZBLJSA-N 1 0 361.530 2.798 20 10 FFCDRO COC(=O)[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)CC1CCCC1 ZINC001308973528 1052530156 /nfs/dbraw/zinc/53/01/56/1052530156.db2.gz WVGHNWJMGUIBCF-HNNXBMFYSA-N 1 0 351.443 2.869 20 10 FFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001345791424 1052613361 /nfs/dbraw/zinc/61/33/61/1052613361.db2.gz BYGASGXWVITZNJ-OAHLLOKOSA-N 1 0 358.511 2.778 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001336950029 1054361095 /nfs/dbraw/zinc/36/10/95/1054361095.db2.gz DRABMTPDRNDFGB-DNVCBOLYSA-N 1 0 356.470 2.665 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337005370 1054404941 /nfs/dbraw/zinc/40/49/41/1054404941.db2.gz YYRNDNKOLYEHIT-UWJYYQICSA-N 1 0 367.449 2.790 20 10 FFCDRO Cc1cc(CO)cc(C)c1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001352035028 1055140767 /nfs/dbraw/zinc/14/07/67/1055140767.db2.gz ZZMDWBUEQCCSLZ-UHFFFAOYSA-N 1 0 371.500 2.976 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1O ZINC000848898517 1055326209 /nfs/dbraw/zinc/32/62/09/1055326209.db2.gz DNDZFGDUBVXVOH-AWEZNQCLSA-N 1 0 356.430 3.000 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccn3C3CC3)cc2)C1 ZINC001349762237 1055455882 /nfs/dbraw/zinc/45/58/82/1055455882.db2.gz WHBYGDJIEYIDDH-KRWDZBQOSA-N 1 0 352.482 2.815 20 10 FFCDRO Cc1ccc(NC(=[NH2+])NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC001349910314 1055534779 /nfs/dbraw/zinc/53/47/79/1055534779.db2.gz ASZBAIMCFTZVLH-KRWDZBQOSA-N 1 0 365.481 2.833 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1)C1CCCCC1 ZINC001357145743 1055794758 /nfs/dbraw/zinc/79/47/58/1055794758.db2.gz RNPULCBTVPGAKW-FQEVSTJZSA-N 1 0 371.525 2.840 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC001357488281 1055921506 /nfs/dbraw/zinc/92/15/06/1055921506.db2.gz XNRQDPSRPIBDCA-RLLQIKCJSA-N 1 0 359.514 2.648 20 10 FFCDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC001353195014 1056173693 /nfs/dbraw/zinc/17/36/93/1056173693.db2.gz CVDGCWJZZQVPII-FOIQADDNSA-N 1 0 354.450 2.697 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccn3)cc2F)CC1 ZINC001443593431 1058221547 /nfs/dbraw/zinc/22/15/47/1058221547.db2.gz TYNOAADFOVKMQU-MRXNPFEDSA-N 1 0 370.472 2.783 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)Cc1csc(SCC[NH+](C)C)n1 ZINC001445653167 1058428083 /nfs/dbraw/zinc/42/80/83/1058428083.db2.gz UKVASNLTGOXPEL-UHFFFAOYSA-N 1 0 365.524 2.704 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001519510749 1058793510 /nfs/dbraw/zinc/79/35/10/1058793510.db2.gz TVEKJRVYQYBAEK-OCCSQVGLSA-N 1 0 359.499 2.702 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001449791297 1058940575 /nfs/dbraw/zinc/94/05/75/1058940575.db2.gz AHPTVSFHSYFJLO-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000848307354 1059691647 /nfs/dbraw/zinc/69/16/47/1059691647.db2.gz ISXPIILZMIXDPH-ZWKOTPCHSA-N 1 0 373.884 2.639 20 10 FFCDRO CCCC(O)(CCC)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001455225742 1059732734 /nfs/dbraw/zinc/73/27/34/1059732734.db2.gz NWPSUYOXWQRKSN-UHFFFAOYSA-N 1 0 361.530 2.776 20 10 FFCDRO CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001355035164 1059801167 /nfs/dbraw/zinc/80/11/67/1059801167.db2.gz KRXZJPIOSVQRQX-INIZCTEOSA-N 1 0 355.486 2.536 20 10 FFCDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccnc1 ZINC001456025504 1059989362 /nfs/dbraw/zinc/98/93/62/1059989362.db2.gz OXLDSSJXSPOXQW-MRXNPFEDSA-N 1 0 354.414 2.667 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2F)CC1 ZINC001355302703 1060091942 /nfs/dbraw/zinc/09/19/42/1060091942.db2.gz SRXUZCLSOJZXHH-NQIIRXRSSA-N 1 0 361.505 2.872 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN([C@H]4CCOC4)CC3)CC2)cc1 ZINC000848525140 1060216591 /nfs/dbraw/zinc/21/65/91/1060216591.db2.gz KSTDECVSFCSFBM-FQEVSTJZSA-N 1 0 359.514 2.507 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@H]3CCCn4ccnc43)cc2F)CC1 ZINC000848529790 1060226186 /nfs/dbraw/zinc/22/61/86/1060226186.db2.gz ZUYSLLJUCDVNMU-SFHVURJKSA-N 1 0 357.477 2.789 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3coc([C@@H]4CCC[NH2+]4)n3)CC2)cc1 ZINC001521470528 1060607980 /nfs/dbraw/zinc/60/79/80/1060607980.db2.gz QCDKAXOAFKVWPO-KRWDZBQOSA-N 1 0 370.453 2.507 20 10 FFCDRO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001461811642 1061412778 /nfs/dbraw/zinc/41/27/78/1061412778.db2.gz GCBSCJNUARIBAB-QGZVFWFLSA-N 1 0 360.404 2.895 20 10 FFCDRO COc1ccc(C)cc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462466185 1061634249 /nfs/dbraw/zinc/63/42/49/1061634249.db2.gz ITKCGFJVUNGQJN-UHFFFAOYSA-N 1 0 367.493 2.614 20 10 FFCDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCCC1 ZINC001463575875 1062166456 /nfs/dbraw/zinc/16/64/56/1062166456.db2.gz TXZADBXGORUNJO-KRWDZBQOSA-N 1 0 370.449 2.602 20 10 FFCDRO CC1(C)CC[N@H+](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC001479555291 1062529799 /nfs/dbraw/zinc/52/97/99/1062529799.db2.gz PZJYGUMEGYIFGO-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO C[C@@H](OC1CCCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001533684683 1063373103 /nfs/dbraw/zinc/37/31/03/1063373103.db2.gz SGDYZIUOTLISAH-QGZVFWFLSA-N 1 0 359.514 2.792 20 10 FFCDRO COc1cccc(C(=O)NCC[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001473961352 1065427063 /nfs/dbraw/zinc/42/70/63/1065427063.db2.gz BRYRDHGBEXXJAM-UHFFFAOYSA-N 1 0 353.466 2.815 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc(C)n1 ZINC001474270481 1065481862 /nfs/dbraw/zinc/48/18/62/1065481862.db2.gz AQVVNLBAWLEDEQ-UHFFFAOYSA-N 1 0 352.482 2.690 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC001578424275 1078472393 /nfs/dbraw/zinc/47/23/93/1078472393.db2.gz CLZRHRGATYSCBF-INIZCTEOSA-N 1 0 355.467 2.634 20 10 FFCDRO C[NH2+][C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001578615119 1078503611 /nfs/dbraw/zinc/50/36/11/1078503611.db2.gz JDTKCRPJXGYIKL-MRXNPFEDSA-N 1 0 374.508 2.528 20 10 FFCDRO Cc1cc(CNC(=O)N2CC3(C2)CCC[NH2+]C3)c(C)n1-c1ccccc1 ZINC001579602114 1078648612 /nfs/dbraw/zinc/64/86/12/1078648612.db2.gz USAKOYFCWPBEPL-UHFFFAOYSA-N 1 0 352.482 2.989 20 10 FFCDRO [NH3+][C@@H]1CCSC2(CC(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC001580198189 1078763899 /nfs/dbraw/zinc/76/38/99/1078763899.db2.gz CWQBKSIKSDXDSW-OHTSDLOESA-N 1 0 359.539 2.906 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc1 ZINC001556896429 1075786789 /nfs/dbraw/zinc/78/67/89/1075786789.db2.gz FUNICZOOOWBPFD-UHFFFAOYSA-N 1 0 356.514 2.707 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3c[nH]ccc-3n2)[NH+](C)C)cc1 ZINC001558723526 1076063429 /nfs/dbraw/zinc/06/34/29/1076063429.db2.gz QJTDQCQNHNGALK-IBGZPJMESA-N 1 0 351.454 2.662 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(O)CCCC(C)(C)C2)[NH+](C)C)cc1 ZINC001558723503 1076063520 /nfs/dbraw/zinc/06/35/20/1076063520.db2.gz QEWRHFCHAHFWLX-GHTZIAJQSA-N 1 0 361.530 2.803 20 10 FFCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001560353069 1076266512 /nfs/dbraw/zinc/26/65/12/1076266512.db2.gz ZNKZAGDCTWOMKD-AWEZNQCLSA-N 1 0 360.477 2.733 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001563516432 1076562466 /nfs/dbraw/zinc/56/24/66/1076562466.db2.gz OZPOEIKKLCQFMS-GOSISDBHSA-N 1 0 362.543 2.523 20 10 FFCDRO Cc1cc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC001565193571 1076695757 /nfs/dbraw/zinc/69/57/57/1076695757.db2.gz CJGJNDWMXUYRMA-XLIONFOSSA-N 1 0 352.482 2.940 20 10 FFCDRO Cc1cc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC001565193570 1076695832 /nfs/dbraw/zinc/69/58/32/1076695832.db2.gz CJGJNDWMXUYRMA-PXNSSMCTSA-N 1 0 352.482 2.940 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001587459788 1079794709 /nfs/dbraw/zinc/79/47/09/1079794709.db2.gz HSDQXYDKGHAEDX-FQEVSTJZSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1ccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(O)c1 ZINC000373429499 512326665 /nfs/dbraw/zinc/32/66/65/512326665.db2.gz XIAQOWHIBSYFCX-UHFFFAOYSA-N 1 0 361.486 2.855 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000090017753 507902608 /nfs/dbraw/zinc/90/26/08/507902608.db2.gz ZZJKGZHORDOXSW-JXFKEZNVSA-N 1 0 367.497 2.867 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000091069847 507949126 /nfs/dbraw/zinc/94/91/26/507949126.db2.gz VLFLKXIDPSNTQV-UHFFFAOYSA-N 1 0 364.467 2.549 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373511877 512370839 /nfs/dbraw/zinc/37/08/39/512370839.db2.gz DGUWDBKZVRLMDW-HXUWFJFHSA-N 1 0 354.381 2.830 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC1CCOCC1 ZINC000377639385 512371497 /nfs/dbraw/zinc/37/14/97/512371497.db2.gz CTSRNHWPXPAVJB-HNNXBMFYSA-N 1 0 368.861 2.915 20 10 FFCDRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000075956712 508146257 /nfs/dbraw/zinc/14/62/57/508146257.db2.gz ZFHUYFXHWVCGLM-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093813519 508156294 /nfs/dbraw/zinc/15/62/94/508156294.db2.gz WINYNJGVOJOLDI-OAHLLOKOSA-N 1 0 358.232 2.548 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1F ZINC000113329410 508261873 /nfs/dbraw/zinc/26/18/73/508261873.db2.gz FWESPUXZIIKKIT-UHFFFAOYSA-N 1 0 356.445 2.681 20 10 FFCDRO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153363496 508575935 /nfs/dbraw/zinc/57/59/35/508575935.db2.gz BBPICZNHCLYXOI-GOSISDBHSA-N 1 0 359.514 2.746 20 10 FFCDRO C[C@@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000154091087 508715735 /nfs/dbraw/zinc/71/57/35/508715735.db2.gz QYXBFZVDGUKVHZ-KRWDZBQOSA-N 1 0 371.525 2.745 20 10 FFCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000377720988 512418340 /nfs/dbraw/zinc/41/83/40/512418340.db2.gz SEKBDXRWGUJRHG-UHFFFAOYSA-N 1 0 352.847 2.748 20 10 FFCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000369485265 512433014 /nfs/dbraw/zinc/43/30/14/512433014.db2.gz PVMFFZRMGISNIK-HXUWFJFHSA-N 1 0 359.514 2.743 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186029498 509488547 /nfs/dbraw/zinc/48/85/47/509488547.db2.gz KLTHZWPEZMNBHV-NXEZZACHSA-N 1 0 350.278 2.629 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c(O)c1 ZINC000186376997 509677239 /nfs/dbraw/zinc/67/72/39/509677239.db2.gz HUEKQWDQOPVZGA-OAHLLOKOSA-N 1 0 354.516 2.801 20 10 FFCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265855635 510265308 /nfs/dbraw/zinc/26/53/08/510265308.db2.gz FBRGAQODHSMWLW-JSGCOSHPSA-N 1 0 364.442 2.856 20 10 FFCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265855630 510265931 /nfs/dbraw/zinc/26/59/31/510265931.db2.gz FBRGAQODHSMWLW-GXTWGEPZSA-N 1 0 364.442 2.856 20 10 FFCDRO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000269267158 510316386 /nfs/dbraw/zinc/31/63/86/510316386.db2.gz PRPSBCYTRZKTAU-MCIONIFRSA-N 1 0 353.413 2.500 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)ccc1OCC(N)=O ZINC000185204610 510746355 /nfs/dbraw/zinc/74/63/55/510746355.db2.gz UFMQGGRIYCSAIH-NSHDSACASA-N 1 0 364.829 2.769 20 10 FFCDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000185276968 510785441 /nfs/dbraw/zinc/78/54/41/510785441.db2.gz MRHQRCVLAXTRAT-HNNXBMFYSA-N 1 0 358.461 2.974 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185322876 510806425 /nfs/dbraw/zinc/80/64/25/510806425.db2.gz MCJFAHCQJZYVID-RYUDHWBXSA-N 1 0 352.431 2.851 20 10 FFCDRO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000172675801 510842651 /nfs/dbraw/zinc/84/26/51/510842651.db2.gz CRPZLJAQSYYETH-QGZVFWFLSA-N 1 0 353.466 2.982 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@@H](C)C1 ZINC000247312181 510856572 /nfs/dbraw/zinc/85/65/72/510856572.db2.gz WCWOATOGDFSNGF-FUHWJXTLSA-N 1 0 363.502 2.671 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000275378081 510890983 /nfs/dbraw/zinc/89/09/83/510890983.db2.gz WZBSOBXYYFOYFC-IAQYHMDHSA-N 1 0 358.276 2.901 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282289489 510917069 /nfs/dbraw/zinc/91/70/69/510917069.db2.gz BWAYCJBAIPPHEE-HOTGVXAUSA-N 1 0 370.449 2.731 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCOCC1 ZINC000276930688 510950184 /nfs/dbraw/zinc/95/01/84/510950184.db2.gz AEWJUVIKRUIRLL-IYBDPMFKSA-N 1 0 366.477 2.725 20 10 FFCDRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000278110942 510982006 /nfs/dbraw/zinc/98/20/06/510982006.db2.gz SJZROFMMRCMNQL-PXNSSMCTSA-N 1 0 350.503 2.521 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278268330 510986443 /nfs/dbraw/zinc/98/64/43/510986443.db2.gz DVXFUDVAEPDRMF-KRWDZBQOSA-N 1 0 367.497 2.749 20 10 FFCDRO COc1c([O-])c(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278475773 510994553 /nfs/dbraw/zinc/99/45/53/510994553.db2.gz IKBJMBGFPUOVEJ-UHFFFAOYSA-N 1 0 373.365 2.555 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H]3CCSC3)CC2)cc(OC)c1OC ZINC000278603192 511000769 /nfs/dbraw/zinc/00/07/69/511000769.db2.gz IYUPRODQLHLFSK-CQSZACIVSA-N 1 0 352.500 2.588 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000278899758 511013081 /nfs/dbraw/zinc/01/30/81/511013081.db2.gz FOSIPLKSOCAYSR-CVEARBPZSA-N 1 0 358.461 2.772 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000290319382 511134139 /nfs/dbraw/zinc/13/41/39/511134139.db2.gz OCYFKWQNOLSGQV-LLVKDONJSA-N 1 0 364.305 2.937 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000271798683 511328885 /nfs/dbraw/zinc/32/88/85/511328885.db2.gz KIYTVBQTZHZZNX-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1O ZINC000280573258 511517331 /nfs/dbraw/zinc/51/73/31/511517331.db2.gz MMWQMMYBEMNFJN-CALCHBBNSA-N 1 0 352.434 2.610 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273301039 511521291 /nfs/dbraw/zinc/52/12/91/511521291.db2.gz BHEJUVILERWKKP-HNNXBMFYSA-N 1 0 371.437 2.983 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000295888165 511546928 /nfs/dbraw/zinc/54/69/28/511546928.db2.gz HPGOBYKRGCHSAP-GFCCVEGCSA-N 1 0 357.292 2.570 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000273617807 511552778 /nfs/dbraw/zinc/55/27/78/511552778.db2.gz YAPZPCFOJIYHGN-DJPFJPOOSA-N 1 0 370.493 2.934 20 10 FFCDRO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2ccccc2O)CC1 ZINC000299463047 511645564 /nfs/dbraw/zinc/64/55/64/511645564.db2.gz CNYTZRHBOJJBGD-UHFFFAOYSA-N 1 0 354.454 2.856 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1OC ZINC000365835664 511677777 /nfs/dbraw/zinc/67/77/77/511677777.db2.gz UVXUBNFITQQUTF-AWEZNQCLSA-N 1 0 362.401 2.987 20 10 FFCDRO Brc1cncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000274370334 511810900 /nfs/dbraw/zinc/81/09/00/511810900.db2.gz YUMZZXIBQCKNMU-UHFFFAOYSA-N 1 0 362.271 2.971 20 10 FFCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296616477 511819981 /nfs/dbraw/zinc/81/99/81/511819981.db2.gz YVVWDTQZQUFNKV-OAHLLOKOSA-N 1 0 352.500 2.562 20 10 FFCDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000296938499 511958092 /nfs/dbraw/zinc/95/80/92/511958092.db2.gz BMRWKYNVUIXGEH-NRFANRHFSA-N 1 0 356.514 2.914 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC000378347629 512708304 /nfs/dbraw/zinc/70/83/04/512708304.db2.gz AENCMAIGECDCNX-AWEZNQCLSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1O ZINC000368006568 512760094 /nfs/dbraw/zinc/76/00/94/512760094.db2.gz NJXXXPZYVXIYMX-INIZCTEOSA-N 1 0 368.412 2.903 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1O ZINC000368211231 512847311 /nfs/dbraw/zinc/84/73/11/512847311.db2.gz COQQDUXYETZMLM-KUHUBIRLSA-N 1 0 354.450 2.976 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000528721399 516645303 /nfs/dbraw/zinc/64/53/03/516645303.db2.gz PATISGBHUCNFFK-GFCCVEGCSA-N 1 0 357.410 2.766 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000527152163 517529047 /nfs/dbraw/zinc/52/90/47/517529047.db2.gz PBJCALFOYXVMBC-QGZVFWFLSA-N 1 0 372.513 2.643 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)ccc21 ZINC000582367493 518719836 /nfs/dbraw/zinc/71/98/36/518719836.db2.gz PMLNJDCJCHZGQB-GOSISDBHSA-N 1 0 355.482 2.871 20 10 FFCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000565147136 518810894 /nfs/dbraw/zinc/81/08/94/518810894.db2.gz HWVRAUXHXAJAAX-QGZVFWFLSA-N 1 0 357.498 2.976 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccno2)C1 ZINC000568171085 518905534 /nfs/dbraw/zinc/90/55/34/518905534.db2.gz XFQGLDVEFAJQIX-UHFFFAOYSA-N 1 0 352.438 2.712 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cc1-c1nn[nH]n1 ZINC000821818449 599440646 /nfs/dbraw/zinc/44/06/46/599440646.db2.gz QYZQNKDESAAVHB-UHFFFAOYSA-N 1 0 352.442 2.540 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000824616908 607908171 /nfs/dbraw/zinc/90/81/71/607908171.db2.gz AWEVEPPSLAFOTN-OAHLLOKOSA-N 1 0 364.453 2.554 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1O ZINC000155541337 728831408 /nfs/dbraw/zinc/83/14/08/728831408.db2.gz RBTBFHXWNBLWPM-GFCCVEGCSA-N 1 0 371.275 2.511 20 10 FFCDRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000897948121 735296226 /nfs/dbraw/zinc/29/62/26/735296226.db2.gz KDSQMXALQNUAPU-SJKOYZFVSA-N 1 0 364.239 2.987 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000897987598 735300455 /nfs/dbraw/zinc/30/04/55/735300455.db2.gz RNMVGHSFBGTAAL-LBPRGKRZSA-N 1 0 365.817 2.662 20 10 FFCDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000898399684 735355947 /nfs/dbraw/zinc/35/59/47/735355947.db2.gz SUWDTYSAJQSGRC-HSZRJFAPSA-N 1 0 359.923 2.832 20 10 FFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)CN1CCOCC1 ZINC000091588029 728460449 /nfs/dbraw/zinc/46/04/49/728460449.db2.gz KFLFLDYEJGRIAO-CYBMUJFWSA-N 1 0 357.292 2.697 20 10 FFCDRO CNC(=O)CC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093587824 728476728 /nfs/dbraw/zinc/47/67/28/728476728.db2.gz KIRJELWBGWUULN-UHFFFAOYSA-N 1 0 371.275 2.511 20 10 FFCDRO CC(C)[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])N1CC[NH+](C)CC1 ZINC000098039229 728484152 /nfs/dbraw/zinc/48/41/52/728484152.db2.gz CIIAHEPRDHAPOG-MRXNPFEDSA-N 1 0 370.335 2.516 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000105492912 728505743 /nfs/dbraw/zinc/50/57/43/728505743.db2.gz XOIGTXGLPPFCGA-OAHLLOKOSA-N 1 0 366.255 2.857 20 10 FFCDRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113338789 728554131 /nfs/dbraw/zinc/55/41/31/728554131.db2.gz ZQAIOBVCOINXFV-UHFFFAOYSA-N 1 0 355.843 2.618 20 10 FFCDRO CCS(=O)(=O)NCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000119278396 728590930 /nfs/dbraw/zinc/59/09/30/728590930.db2.gz MOMJOYKDRITKAK-MRXNPFEDSA-N 1 0 362.495 2.895 20 10 FFCDRO COCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000127260023 728705894 /nfs/dbraw/zinc/70/58/94/728705894.db2.gz WVTNRNVIBRMABG-INIZCTEOSA-N 1 0 366.889 2.943 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000127765501 728707279 /nfs/dbraw/zinc/70/72/79/728707279.db2.gz WFHMIEQXVVEBOQ-UHFFFAOYSA-N 1 0 374.915 2.792 20 10 FFCDRO C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000165423734 728973012 /nfs/dbraw/zinc/97/30/12/728973012.db2.gz QSICOJIHBSWWOL-MRXNPFEDSA-N 1 0 361.555 2.882 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000182198996 729271741 /nfs/dbraw/zinc/27/17/41/729271741.db2.gz RMRFFOIQAVUXHN-NSHDSACASA-N 1 0 365.426 2.988 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000182439864 729278322 /nfs/dbraw/zinc/27/83/22/729278322.db2.gz OSTKMBUXOFHMBP-VXGBXAGGSA-N 1 0 360.376 2.852 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000779022040 738430238 /nfs/dbraw/zinc/43/02/38/738430238.db2.gz KCHOWRUNNLBPJJ-OLZOCXBDSA-N 1 0 357.292 2.834 20 10 FFCDRO C[C@@H](CCO)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779422099 738463001 /nfs/dbraw/zinc/46/30/01/738463001.db2.gz UNGREJQCJMJBNF-YOEHRIQHSA-N 1 0 351.491 2.679 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000856595954 730346950 /nfs/dbraw/zinc/34/69/50/730346950.db2.gz NUUUHJMRZNYOAN-QGZVFWFLSA-N 1 0 351.834 2.561 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000858151108 730417919 /nfs/dbraw/zinc/41/79/19/730417919.db2.gz TXCOUPFAHPMSTJ-GFCCVEGCSA-N 1 0 356.260 2.973 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1F ZINC000858172121 730418743 /nfs/dbraw/zinc/41/87/43/730418743.db2.gz KMBIGWRHUFGQSP-FZKQIMNGSA-N 1 0 350.413 2.774 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)c(O)c1 ZINC000858248912 730420820 /nfs/dbraw/zinc/42/08/20/730420820.db2.gz FNOXFFJKHXUQSJ-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1O ZINC000858602681 730429717 /nfs/dbraw/zinc/42/97/17/730429717.db2.gz GIFZPKFMFCYNFU-YGRLFVJLSA-N 1 0 353.260 2.959 20 10 FFCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779609068 738472170 /nfs/dbraw/zinc/47/21/70/738472170.db2.gz OZNDTWARTBJQAR-GOSISDBHSA-N 1 0 360.479 2.573 20 10 FFCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000779641613 738473782 /nfs/dbraw/zinc/47/37/82/738473782.db2.gz HTHOHOZKFREDGC-IEBWSBKVSA-N 1 0 350.528 2.980 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000862251064 730681904 /nfs/dbraw/zinc/68/19/04/730681904.db2.gz ZSMHHCSFVXWRQL-ZDUSSCGKSA-N 1 0 356.260 2.925 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925290166 738494329 /nfs/dbraw/zinc/49/43/29/738494329.db2.gz OTDMASPPQOHLFN-ZDUSSCGKSA-N 1 0 365.861 2.542 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000865465913 730958979 /nfs/dbraw/zinc/95/89/79/730958979.db2.gz LGRNMJVBDZQFMD-UHFFFAOYSA-N 1 0 367.902 2.652 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)c2csc(C3CC[NH2+]CC3)n2)c1 ZINC000870882016 731569571 /nfs/dbraw/zinc/56/95/71/731569571.db2.gz RYPSKGSMCLUORE-NSHDSACASA-N 1 0 361.467 2.815 20 10 FFCDRO Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(O)c1O ZINC000780936453 738589785 /nfs/dbraw/zinc/58/97/85/738589785.db2.gz ARIROKIZTIVDSM-UHFFFAOYSA-N 1 0 364.511 2.888 20 10 FFCDRO Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c(O)c1 ZINC000876556790 732257148 /nfs/dbraw/zinc/25/71/48/732257148.db2.gz AKPHTXJWOQEQGX-UHFFFAOYSA-N 1 0 366.508 2.705 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@@H]3CC3(F)F)CC2)cc1 ZINC000876900315 732294813 /nfs/dbraw/zinc/29/48/13/732294813.db2.gz HNGHYEQDEUONIV-YJBOKZPZSA-N 1 0 353.457 2.841 20 10 FFCDRO Brc1cnc2c(C[NH2+]Cc3ccc4c(c3)CCO4)cnn2c1 ZINC000876996664 732309246 /nfs/dbraw/zinc/30/92/46/732309246.db2.gz YQROSIDXTCQFRN-UHFFFAOYSA-N 1 0 359.227 2.717 20 10 FFCDRO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(O)c1 ZINC000877573757 732390629 /nfs/dbraw/zinc/39/06/29/732390629.db2.gz UHEYJVZWICXUBC-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC1CC[NH+](C)CC1 ZINC000877664252 732408658 /nfs/dbraw/zinc/40/86/58/732408658.db2.gz LIGKRSZKNOXJRN-UHFFFAOYSA-N 1 0 356.894 2.844 20 10 FFCDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000877685725 732413859 /nfs/dbraw/zinc/41/38/59/732413859.db2.gz GHPRUXPFWDQADQ-IBGZPJMESA-N 1 0 351.443 2.581 20 10 FFCDRO COC(=O)CN(CCC[NH+]1CCCCC1)Cc1cc(Cl)ccc1O ZINC000781896206 738668812 /nfs/dbraw/zinc/66/88/12/738668812.db2.gz CTAYQDOVSMFVNJ-UHFFFAOYSA-N 1 0 354.878 2.897 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C(F)(F)F)CCC3)cc2)CC1 ZINC000881853090 733120703 /nfs/dbraw/zinc/12/07/03/733120703.db2.gz IYWWZYAIQPWHPB-UHFFFAOYSA-N 1 0 355.404 2.787 20 10 FFCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000882996573 733319349 /nfs/dbraw/zinc/31/93/49/733319349.db2.gz XKDLSAMBDLNTBG-UHFFFAOYSA-N 1 0 366.508 2.526 20 10 FFCDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000782777055 738754594 /nfs/dbraw/zinc/75/45/94/738754594.db2.gz HOUNWDVQFAZFSZ-AUUYWEPGSA-N 1 0 368.905 2.615 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@]2(C)Br)[NH+](C)C)cc1 ZINC000891248127 734404634 /nfs/dbraw/zinc/40/46/34/734404634.db2.gz VWMGPYBVWDUIII-ZOBUZTSGSA-N 1 0 368.319 2.645 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CSc2ccncc2)[NH+](C)C)cc1 ZINC000891258229 734406120 /nfs/dbraw/zinc/40/61/20/734406120.db2.gz QNQMQWBPVNDEDV-SFHVURJKSA-N 1 0 358.511 2.659 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000892493533 734565549 /nfs/dbraw/zinc/56/55/49/734565549.db2.gz LTCZHKYZAQDXPK-LBPRGKRZSA-N 1 0 370.291 2.732 20 10 FFCDRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892621200 734581562 /nfs/dbraw/zinc/58/15/62/734581562.db2.gz HUQAISZHNFLLFI-BBRMVZONSA-N 1 0 357.267 2.925 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c(O)c1OC ZINC000892702257 734593187 /nfs/dbraw/zinc/59/31/87/734593187.db2.gz CALGUJNVMXWQOV-UHFFFAOYSA-N 1 0 364.829 2.582 20 10 FFCDRO COc1ccc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c1OC ZINC000893641297 734731219 /nfs/dbraw/zinc/73/12/19/734731219.db2.gz TZGDWSJSRAXJIC-INIZCTEOSA-N 1 0 363.376 2.935 20 10 FFCDRO Cc1ccsc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330936 734809486 /nfs/dbraw/zinc/80/94/86/734809486.db2.gz TUMGTAJQJIQWQX-UHFFFAOYSA-N 1 0 350.509 2.581 20 10 FFCDRO Cc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cnc1F ZINC000894844065 734926451 /nfs/dbraw/zinc/92/64/51/734926451.db2.gz WFMPOEOBHVZSSB-UHFFFAOYSA-N 1 0 351.372 2.934 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000895007892 734951261 /nfs/dbraw/zinc/95/12/61/734951261.db2.gz OXIYLEJIGITALD-SNVBAGLBSA-N 1 0 367.247 2.579 20 10 FFCDRO Cc1cc(O)c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000895551450 735022764 /nfs/dbraw/zinc/02/27/64/735022764.db2.gz QURKFPBYEFAMTC-UHFFFAOYSA-N 1 0 365.905 2.660 20 10 FFCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738439256 735033018 /nfs/dbraw/zinc/03/30/18/735033018.db2.gz CLLZHQWBNOARLN-QGZVFWFLSA-N 1 0 353.488 2.789 20 10 FFCDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000895836699 735062301 /nfs/dbraw/zinc/06/23/01/735062301.db2.gz FOTXEOFRBVTIPJ-LBPRGKRZSA-N 1 0 354.166 2.901 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000896048890 735093863 /nfs/dbraw/zinc/09/38/63/735093863.db2.gz VPUKOBOUWOHYGW-BBRMVZONSA-N 1 0 361.515 2.872 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC1(O)CCCCC1 ZINC000905051794 736289139 /nfs/dbraw/zinc/28/91/39/736289139.db2.gz HRFJKQCIQJNMEV-LJQANCHMSA-N 1 0 364.555 2.776 20 10 FFCDRO CC[C@@](O)(C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000905342841 736330016 /nfs/dbraw/zinc/33/00/16/736330016.db2.gz XKJLNXSRUZEDOO-QGZVFWFLSA-N 1 0 360.420 2.688 20 10 FFCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000762784277 736867572 /nfs/dbraw/zinc/86/75/72/736867572.db2.gz BZRUDRKCYOAGKH-UHFFFAOYSA-N 1 0 363.479 2.884 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)NC1CC[NH+](C2CC2)CC1 ZINC000764761337 737046984 /nfs/dbraw/zinc/04/69/84/737046984.db2.gz LHFBUUIKENDRQZ-UHFFFAOYSA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765953018 737176569 /nfs/dbraw/zinc/17/65/69/737176569.db2.gz PDGQJUGPQCJQCZ-OAHLLOKOSA-N 1 0 369.962 2.876 20 10 FFCDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765953017 737176694 /nfs/dbraw/zinc/17/66/94/737176694.db2.gz PDGQJUGPQCJQCZ-HNNXBMFYSA-N 1 0 369.962 2.876 20 10 FFCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766028339 737185050 /nfs/dbraw/zinc/18/50/50/737185050.db2.gz LLPCIUSHNXFHHE-KDOFPFPSSA-N 1 0 356.894 2.615 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921657537 738018981 /nfs/dbraw/zinc/01/89/81/738018981.db2.gz UVXRICWYOFRUDJ-UHFFFAOYSA-N 1 0 365.275 2.939 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980464 738047710 /nfs/dbraw/zinc/04/77/10/738047710.db2.gz WOTPLAIKYJGPLL-ZIAGYGMSSA-N 1 0 351.447 2.767 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1O ZINC000775419887 738091837 /nfs/dbraw/zinc/09/18/37/738091837.db2.gz BYQSYDGGJBWJCO-INIZCTEOSA-N 1 0 352.862 2.985 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000775527278 738099272 /nfs/dbraw/zinc/09/92/72/738099272.db2.gz PWQIXNIILMTWQB-CVEARBPZSA-N 1 0 352.862 2.866 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000775720665 738117442 /nfs/dbraw/zinc/11/74/42/738117442.db2.gz OIQIKYZNJHAOCD-PBHICJAKSA-N 1 0 357.420 2.590 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775836989 738130372 /nfs/dbraw/zinc/13/03/72/738130372.db2.gz PWYFILYRYBHQQQ-HNNXBMFYSA-N 1 0 361.511 2.854 20 10 FFCDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835749 738130416 /nfs/dbraw/zinc/13/04/16/738130416.db2.gz WTMXUPBJMYDLSP-GFCCVEGCSA-N 1 0 361.467 2.890 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)ccc1OC ZINC000922525831 738160835 /nfs/dbraw/zinc/16/08/35/738160835.db2.gz VPRUXPLFTUUQNU-MSOLQXFVSA-N 1 0 350.528 2.901 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922597321 738171440 /nfs/dbraw/zinc/17/14/40/738171440.db2.gz OHXAQVNGGQSFDE-UHFFFAOYSA-N 1 0 356.260 2.566 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000776220294 738172206 /nfs/dbraw/zinc/17/22/06/738172206.db2.gz KIDHZNDEZANHCL-OWYVNGRQSA-N 1 0 353.260 2.562 20 10 FFCDRO FC(F)(F)CN1CCC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922711801 738190127 /nfs/dbraw/zinc/19/01/27/738190127.db2.gz WXVXPHUERNXVCO-KRWDZBQOSA-N 1 0 357.420 2.640 20 10 FFCDRO COC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787444732 739137404 /nfs/dbraw/zinc/13/74/04/739137404.db2.gz JAQWWEHNRAKERP-OAHLLOKOSA-N 1 0 354.878 2.941 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790020499 739407704 /nfs/dbraw/zinc/40/77/04/739407704.db2.gz XOKYAQRMCOHZAN-UHFFFAOYSA-N 1 0 361.511 2.601 20 10 FFCDRO CO[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000792237977 739654032 /nfs/dbraw/zinc/65/40/32/739654032.db2.gz LXYDUZUZRDIPPV-DOTOQJQBSA-N 1 0 352.862 2.551 20 10 FFCDRO O=C(C[C@@H]1CCCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689159 739804928 /nfs/dbraw/zinc/80/49/28/739804928.db2.gz KMPGBVVFYADGNC-YOEHRIQHSA-N 1 0 366.889 2.943 20 10 FFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1O ZINC000794805812 739932399 /nfs/dbraw/zinc/93/23/99/739932399.db2.gz YNWUWZXTGRHVCN-SFHVURJKSA-N 1 0 362.495 2.861 20 10 FFCDRO Cc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000795658598 740049201 /nfs/dbraw/zinc/04/92/01/740049201.db2.gz PKQUSLFKDSURTL-INIZCTEOSA-N 1 0 368.543 2.854 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000796482154 740146727 /nfs/dbraw/zinc/14/67/27/740146727.db2.gz JWYGDWGYOFBWCW-IEBWSBKVSA-N 1 0 367.559 2.730 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000798963448 740377971 /nfs/dbraw/zinc/37/79/71/740377971.db2.gz DZPZEJOCNRMSEN-LJQANCHMSA-N 1 0 351.443 2.583 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1O ZINC000800990608 740575895 /nfs/dbraw/zinc/57/58/95/740575895.db2.gz WFYDCMMHKUVVSV-NSHDSACASA-N 1 0 372.849 2.814 20 10 FFCDRO CCN(CC)c1ccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000802659061 740716255 /nfs/dbraw/zinc/71/62/55/740716255.db2.gz DTOHNXUNSYJUNH-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000805071502 740935013 /nfs/dbraw/zinc/93/50/13/740935013.db2.gz WAECQQXGSHOSCX-KGLIPLIRSA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@H](NC(=O)NCc1cc(Br)ccc1O)C1=CC[N@H+](C)CC1 ZINC000805277240 740956104 /nfs/dbraw/zinc/95/61/04/740956104.db2.gz RVHFJSIOVOXZCZ-NSHDSACASA-N 1 0 368.275 2.604 20 10 FFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806961440 741098333 /nfs/dbraw/zinc/09/83/33/741098333.db2.gz QPTVJVHFCNZGQG-KGLIPLIRSA-N 1 0 354.545 2.894 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1O ZINC000808684693 741251777 /nfs/dbraw/zinc/25/17/77/741251777.db2.gz ORESETQXEDVHIU-CYBMUJFWSA-N 1 0 368.886 2.983 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)CC2 ZINC000808706172 741254443 /nfs/dbraw/zinc/25/44/43/741254443.db2.gz DTRDONNORWNRFN-DGCLKSJQSA-N 1 0 350.850 2.758 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000809690470 741332288 /nfs/dbraw/zinc/33/22/88/741332288.db2.gz ROPCKOVGRXPTBW-GFCCVEGCSA-N 1 0 360.376 2.681 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000809698321 741333055 /nfs/dbraw/zinc/33/30/55/741333055.db2.gz YFRIKIPFVQSAIV-RDJZCZTQSA-N 1 0 358.404 2.516 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000809703127 741334124 /nfs/dbraw/zinc/33/41/24/741334124.db2.gz FAPPIPGHVWEAKS-JTQLQIEISA-N 1 0 362.289 2.518 20 10 FFCDRO CSC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH+](C)CC1 ZINC000810169828 741394390 /nfs/dbraw/zinc/39/43/90/741394390.db2.gz AJCYKSSSTAYFFZ-UHFFFAOYSA-N 1 0 359.879 2.871 20 10 FFCDRO CSC1(CNC(=O)NCCCSc2nccs2)CC[NH+](C)CC1 ZINC000812154179 741592220 /nfs/dbraw/zinc/59/22/20/741592220.db2.gz PIWFDEKWEJVTGD-UHFFFAOYSA-N 1 0 374.601 2.752 20 10 FFCDRO C[NH+]1CCN(c2ccc(NCc3cc(Cl)c(F)cc3O)nc2)CC1 ZINC000816537320 742039993 /nfs/dbraw/zinc/03/99/93/742039993.db2.gz ZYXUEHFOAOICSQ-UHFFFAOYSA-N 1 0 350.825 2.944 20 10 FFCDRO CON1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000817587802 742174950 /nfs/dbraw/zinc/17/49/50/742174950.db2.gz IHHASMPELAJOQJ-AWEZNQCLSA-N 1 0 353.894 2.853 20 10 FFCDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000818010877 742229698 /nfs/dbraw/zinc/22/96/98/742229698.db2.gz YUSHDSKSYYLARA-UHFFFAOYSA-N 1 0 350.260 2.887 20 10 FFCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000818351379 742266102 /nfs/dbraw/zinc/26/61/02/742266102.db2.gz ROAYYJGXIGBFDM-CQSZACIVSA-N 1 0 374.934 2.652 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000822459361 742736869 /nfs/dbraw/zinc/73/68/69/742736869.db2.gz SVLHKNWLGKQLAQ-AWEZNQCLSA-N 1 0 353.260 2.788 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000825090526 743208683 /nfs/dbraw/zinc/20/86/83/743208683.db2.gz XDCAOWWBQYDEEK-CQSZACIVSA-N 1 0 352.228 2.684 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000825338072 743251821 /nfs/dbraw/zinc/25/18/21/743251821.db2.gz LHWNRQWSROYSSD-HNNXBMFYSA-N 1 0 352.228 2.987 20 10 FFCDRO C[N@H+](Cc1ccc(Br)cc1O)C(C)(C)CN1CCOCC1 ZINC000826130900 743369617 /nfs/dbraw/zinc/36/96/17/743369617.db2.gz MXZKXOVBGQTVCX-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000826256317 743376639 /nfs/dbraw/zinc/37/66/39/743376639.db2.gz CYGZTPFKXLVXCF-UHFFFAOYSA-N 1 0 374.242 2.933 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827172692 743525503 /nfs/dbraw/zinc/52/55/03/743525503.db2.gz RSDHTQYAFGZCLN-ZWNOBZJWSA-N 1 0 362.289 2.518 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827838140 744987536 /nfs/dbraw/zinc/98/75/36/744987536.db2.gz UDZWHBGVKLGAFM-OAHLLOKOSA-N 1 0 358.511 2.776 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000829768805 745257830 /nfs/dbraw/zinc/25/78/30/745257830.db2.gz KEAGTFYYBAWPFR-MRXNPFEDSA-N 1 0 358.511 2.920 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000834316447 745817190 /nfs/dbraw/zinc/81/71/90/745817190.db2.gz HAADSNSJOWNPQJ-UGSOOPFHSA-N 1 0 361.873 2.936 20 10 FFCDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834843781 745912993 /nfs/dbraw/zinc/91/29/93/745912993.db2.gz LGPBHRMSRRFXPT-KSSFIOAISA-N 1 0 356.894 2.615 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000834850812 745913826 /nfs/dbraw/zinc/91/38/26/745913826.db2.gz PYJFIUMESAZHMG-DZGCQCFKSA-N 1 0 371.319 2.961 20 10 FFCDRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1O ZINC000834894149 745921263 /nfs/dbraw/zinc/92/12/63/745921263.db2.gz ZOYQJIZXOWISNA-BNOWGMLFSA-N 1 0 355.276 2.669 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000835054621 745940471 /nfs/dbraw/zinc/94/04/71/745940471.db2.gz WTVVOEDQZOZLLW-CWIOURORSA-N 1 0 357.420 2.619 20 10 FFCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839067150 746765098 /nfs/dbraw/zinc/76/50/98/746765098.db2.gz OSWZAERRVVWQJR-CQSZACIVSA-N 1 0 357.292 2.536 20 10 FFCDRO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000839191663 746798950 /nfs/dbraw/zinc/79/89/50/746798950.db2.gz CIJZEBDAJAHCNN-CYBMUJFWSA-N 1 0 360.376 2.747 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000840123808 747011014 /nfs/dbraw/zinc/01/10/14/747011014.db2.gz CDHWOZFESSJFHU-DZGCQCFKSA-N 1 0 356.388 2.852 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=S)NC3(C)CCC3)cc2F)CC1 ZINC000840728613 747167877 /nfs/dbraw/zinc/16/78/77/747167877.db2.gz VTRFGPXBAIUGOH-UHFFFAOYSA-N 1 0 364.534 2.874 20 10 FFCDRO Cc1cc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n(C)n1 ZINC000840758611 747174496 /nfs/dbraw/zinc/17/44/96/747174496.db2.gz PIHHWRKSLREPDV-CYBMUJFWSA-N 1 0 350.413 2.694 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000840909924 747221774 /nfs/dbraw/zinc/22/17/74/747221774.db2.gz NCEATMHNKBXETO-HNNXBMFYSA-N 1 0 361.511 2.901 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000840912900 747222678 /nfs/dbraw/zinc/22/26/78/747222678.db2.gz ZGWQPJMKTUAYPI-HNNXBMFYSA-N 1 0 361.511 2.901 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000841850477 747475598 /nfs/dbraw/zinc/47/55/98/747475598.db2.gz ASMSCIRJIAMFSY-LJQANCHMSA-N 1 0 356.495 2.532 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2Cl)C1 ZINC000841895856 747484156 /nfs/dbraw/zinc/48/41/56/747484156.db2.gz GTNPCPMRGPKAID-HIFRSBDPSA-N 1 0 350.894 2.819 20 10 FFCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897212 747484845 /nfs/dbraw/zinc/48/48/45/747484845.db2.gz SBBSJOLASFHYAK-CQSZACIVSA-N 1 0 352.910 2.985 20 10 FFCDRO [NH3+]C[C@H](NC(=O)NCc1cccc(Br)c1O)C1CCCCC1 ZINC000841941456 747489613 /nfs/dbraw/zinc/48/96/13/747489613.db2.gz YCJOFOFELZQMEQ-AWEZNQCLSA-N 1 0 370.291 2.862 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCC([NH3+])CC1 ZINC000841943115 747490330 /nfs/dbraw/zinc/49/03/30/747490330.db2.gz GGWUUHCTRIEZOF-UHFFFAOYSA-N 1 0 370.291 2.956 20 10 FFCDRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786118 747687275 /nfs/dbraw/zinc/68/72/75/747687275.db2.gz ZNTDNZWOXOXWLM-MRXNPFEDSA-N 1 0 367.902 2.693 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CC2(C)CCCCC2)cc1 ZINC000842784435 747687446 /nfs/dbraw/zinc/68/74/46/747687446.db2.gz FAIRWPNJIHATCT-QGZVFWFLSA-N 1 0 353.532 2.642 20 10 FFCDRO CC[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)ccc1O ZINC000842905381 747717808 /nfs/dbraw/zinc/71/78/08/747717808.db2.gz YBBNLYPFPXYNKW-ZDUSSCGKSA-N 1 0 353.264 2.957 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCOc2ccccc2Cl)cc1 ZINC000843299895 747807128 /nfs/dbraw/zinc/80/71/28/747807128.db2.gz YWTDJOVTVBLNOR-KRWDZBQOSA-N 1 0 361.873 2.991 20 10 FFCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000846208629 748431002 /nfs/dbraw/zinc/43/10/02/748431002.db2.gz JTXNABGTNOYLJS-LSDHHAIUSA-N 1 0 365.905 2.696 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1O ZINC000848519451 748948533 /nfs/dbraw/zinc/94/85/33/748948533.db2.gz OGAFGVFJYSBEOX-LLVKDONJSA-N 1 0 371.275 2.826 20 10 FFCDRO c1cc(N2CCSCC2)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848521336 748948546 /nfs/dbraw/zinc/94/85/46/748948546.db2.gz MSPDXDPZGJWAEF-FQEVSTJZSA-N 1 0 361.555 2.583 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000848525703 748949348 /nfs/dbraw/zinc/94/93/48/748949348.db2.gz SLKOEWUIDMUICP-RYUDHWBXSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000848523476 748949449 /nfs/dbraw/zinc/94/94/49/748949449.db2.gz GXEPVMGCUKEUQW-LHLIQPBNSA-N 1 0 358.154 2.737 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cncn2C)c1O ZINC000848546294 748955817 /nfs/dbraw/zinc/95/58/17/748955817.db2.gz XJMQDLCPYOTART-SNVBAGLBSA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC2(C)OCCO2)c1O ZINC000848546261 748955879 /nfs/dbraw/zinc/95/58/79/748955879.db2.gz WOQAURKJFVHMFN-SNVBAGLBSA-N 1 0 360.248 2.967 20 10 FFCDRO COc1cncc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1 ZINC000849174102 749065360 /nfs/dbraw/zinc/06/53/60/749065360.db2.gz ONWZESBDZQSYBT-AUWJEWJLSA-N 1 0 365.524 2.879 20 10 FFCDRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c(C(C)(C)C)c1 ZINC000850282100 749332445 /nfs/dbraw/zinc/33/24/45/749332445.db2.gz SKBAAPAYGOODHO-UHFFFAOYSA-N 1 0 355.500 2.755 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)C2)cc1 ZINC000850346239 749346010 /nfs/dbraw/zinc/34/60/10/749346010.db2.gz CXHSCNUOCCHPSF-MRXNPFEDSA-N 1 0 358.511 2.989 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000850396939 749359481 /nfs/dbraw/zinc/35/94/81/749359481.db2.gz AGAKISXHLAHJAI-UHFFFAOYSA-N 1 0 364.433 2.828 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C(F)F ZINC000850435205 749365156 /nfs/dbraw/zinc/36/51/56/749365156.db2.gz JVEXNYQYSPKCQL-ZDUSSCGKSA-N 1 0 360.470 2.691 20 10 FFCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC000850507740 749378210 /nfs/dbraw/zinc/37/82/10/749378210.db2.gz POTZHAUOOUFAAC-GJYPPUQNSA-N 1 0 350.528 2.836 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000852413080 749854622 /nfs/dbraw/zinc/85/46/22/749854622.db2.gz OEBMMROUCLPFNA-ZDUSSCGKSA-N 1 0 370.291 2.827 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000386076913 845830331 /nfs/dbraw/zinc/83/03/31/845830331.db2.gz MVTCMFSLGFZBSM-UHFFFAOYSA-N 1 0 369.893 2.688 20 10 FFCDRO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000895889348 971039662 /nfs/dbraw/zinc/03/96/62/971039662.db2.gz SLLFQJOAVIMHMX-UHFFFAOYSA-N 1 0 354.450 2.796 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c(O)c1 ZINC000185213643 971256931 /nfs/dbraw/zinc/25/69/31/971256931.db2.gz QKQYZQDZDFEDSG-QGZVFWFLSA-N 1 0 353.466 2.700 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000123276588 971700372 /nfs/dbraw/zinc/70/03/72/971700372.db2.gz WLGXCIFSIDXJGX-NRFANRHFSA-N 1 0 365.477 2.886 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1 ZINC000123317947 971704473 /nfs/dbraw/zinc/70/44/73/971704473.db2.gz IMRPXZOFMXMNPB-QZTJIDSGSA-N 1 0 367.493 2.879 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026895406 972125567 /nfs/dbraw/zinc/12/55/67/972125567.db2.gz DKNRLQIXYGFNSX-NSHGMRRFSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000773395314 1013277965 /nfs/dbraw/zinc/27/79/65/1013277965.db2.gz FHGXEHZXGOCWOF-NUJGCVRESA-N 1 0 352.434 2.647 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cncc(F)c2)[NH+](C)C)cc1 ZINC000891242289 962530817 /nfs/dbraw/zinc/53/08/17/962530817.db2.gz DPZSCOIQCIVNJT-HIZXUYSRSA-N 1 0 356.445 2.719 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnn2C2CCC2)[NH+](C)C)cc1 ZINC000891243337 962541530 /nfs/dbraw/zinc/54/15/30/962541530.db2.gz MNJOAKMDGUVOKO-LJQANCHMSA-N 1 0 355.486 2.707 20 10 FFCDRO C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245562 962559086 /nfs/dbraw/zinc/55/90/86/962559086.db2.gz GPYLACRVZXQNJQ-MDASCCDHSA-N 1 0 369.513 2.561 20 10 FFCDRO Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1CC(C)C ZINC000891247911 962579634 /nfs/dbraw/zinc/57/96/34/962579634.db2.gz ITRTWTDLPFIHGK-HXUWFJFHSA-N 1 0 371.529 2.946 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCc3cccnc32)[NH+](C)C)cc1 ZINC000891248726 962588052 /nfs/dbraw/zinc/58/80/52/962588052.db2.gz NNGMPCRVTTZPSG-PMACEKPBSA-N 1 0 366.509 2.987 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3[nH]ccc3c2)[NH+](C)C)cc1 ZINC000891250789 962597539 /nfs/dbraw/zinc/59/75/39/962597539.db2.gz ZWYGXHBVMDRPKF-GOSISDBHSA-N 1 0 351.454 2.613 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)[NH+](C)C)cc1 ZINC000891251632 962602954 /nfs/dbraw/zinc/60/29/54/962602954.db2.gz CNSBVIPAWZYLDS-WMWLNJEOSA-N 1 0 371.525 2.867 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCCc2ccccn2)[NH+](C)C)cc1 ZINC000891253938 962609729 /nfs/dbraw/zinc/60/97/29/962609729.db2.gz VDRRLPPIXDZQPF-FQEVSTJZSA-N 1 0 354.498 2.889 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cc1O ZINC000873036372 1013358691 /nfs/dbraw/zinc/35/86/91/1013358691.db2.gz RUHCKKMKFQRDEV-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO COc1ccc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1Cn1cccn1 ZINC000873049336 1013362790 /nfs/dbraw/zinc/36/27/90/1013362790.db2.gz GFFJVILGCLWYBH-UHFFFAOYSA-N 1 0 370.497 2.678 20 10 FFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001276063571 1013388391 /nfs/dbraw/zinc/38/83/91/1013388391.db2.gz ICDONVWEZPGIDK-IBGZPJMESA-N 1 0 350.434 2.525 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)cc1Cn1cccn1 ZINC000873148717 1013403134 /nfs/dbraw/zinc/40/31/34/1013403134.db2.gz GYLXEJGEUHZLNC-IBGZPJMESA-N 1 0 371.481 2.615 20 10 FFCDRO C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000588405409 963605452 /nfs/dbraw/zinc/60/54/52/963605452.db2.gz OBHCJJLXCXUGBI-SOIVGHGOSA-N 1 0 352.434 2.674 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc4CN3)CC2)cc1 ZINC000873293225 1013465369 /nfs/dbraw/zinc/46/53/69/1013465369.db2.gz JEXFENWHHCMRTR-FQEVSTJZSA-N 1 0 351.494 2.968 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1C ZINC001022105708 964304894 /nfs/dbraw/zinc/30/48/94/964304894.db2.gz OIZXQBDMYPAFPR-ZGXWSNOMSA-N 1 0 365.477 2.939 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000891533054 964433799 /nfs/dbraw/zinc/43/37/99/964433799.db2.gz QSLHFFWGMPGTJY-PMACEKPBSA-N 1 0 356.514 2.959 20 10 FFCDRO COc1ccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 ZINC001175513157 1013497466 /nfs/dbraw/zinc/49/74/66/1013497466.db2.gz QHFOBCYRGGJWRT-UHFFFAOYSA-N 1 0 371.437 2.977 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000262025513 965782286 /nfs/dbraw/zinc/78/22/86/965782286.db2.gz AWCDTEGPYLGDKT-HXUWFJFHSA-N 1 0 366.509 2.522 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000729481381 966091535 /nfs/dbraw/zinc/09/15/35/966091535.db2.gz PQASKVGNFNHUNC-SFHVURJKSA-N 1 0 355.457 2.997 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)CCCc2ccccc2)c1O ZINC000895052922 967247651 /nfs/dbraw/zinc/24/76/51/967247651.db2.gz XBGOPYASZOJHFJ-UHFFFAOYSA-N 1 0 356.466 2.938 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000178867709 967443106 /nfs/dbraw/zinc/44/31/06/967443106.db2.gz WGXQETBTVOTPGM-MGPUTAFESA-N 1 0 371.456 2.819 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255576694 967653792 /nfs/dbraw/zinc/65/37/92/967653792.db2.gz FYWCSFPNUFZKMB-QKIRZYONSA-N 1 0 361.442 2.949 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000179013375 967752901 /nfs/dbraw/zinc/75/29/01/967752901.db2.gz MTXCBMYVSVKITE-UXHICEINSA-N 1 0 352.482 2.997 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000895217036 968487430 /nfs/dbraw/zinc/48/74/30/968487430.db2.gz YXCKCXIQNVRVLC-OLMNPRSZSA-N 1 0 370.501 2.557 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000177228597 969134983 /nfs/dbraw/zinc/13/49/83/969134983.db2.gz SZGWCUDQZRFEPD-UHFFFAOYSA-N 1 0 373.384 2.964 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)c(O)c1 ZINC000725843937 969143738 /nfs/dbraw/zinc/14/37/38/969143738.db2.gz HYJYNOIBRPBWIO-GOSISDBHSA-N 1 0 360.454 2.855 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000066195282 969291294 /nfs/dbraw/zinc/29/12/94/969291294.db2.gz WPYVDTFIYKPKID-INIZCTEOSA-N 1 0 362.518 2.694 20 10 FFCDRO COc1ccccc1[C@H](CNC(=O)c1ccc(C)c(O)c1O)[NH+]1CCCC1 ZINC000177659885 969295057 /nfs/dbraw/zinc/29/50/57/969295057.db2.gz GMTLPOSYXHLVRC-KRWDZBQOSA-N 1 0 370.449 2.982 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180218888 969516270 /nfs/dbraw/zinc/51/62/70/969516270.db2.gz CCUNFNCHCXFWPA-ZDUSSCGKSA-N 1 0 362.376 2.964 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c(O)c1OC ZINC000892618972 969612927 /nfs/dbraw/zinc/61/29/27/969612927.db2.gz QETIMJRJDLXKQG-UHFFFAOYSA-N 1 0 357.454 2.559 20 10 FFCDRO [NH3+]CC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1 ZINC000166291344 969877365 /nfs/dbraw/zinc/87/73/65/969877365.db2.gz ORCLGWVKVKPMDZ-UHFFFAOYSA-N 1 0 367.440 2.892 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(CCCn3ccnc3)CC1)[C@H](O)CO2 ZINC000782945016 970021535 /nfs/dbraw/zinc/02/15/35/970021535.db2.gz MIQVBCIWCJFBOJ-LJQANCHMSA-N 1 0 357.454 2.707 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)cc1 ZINC000892812321 970304612 /nfs/dbraw/zinc/30/46/12/970304612.db2.gz LDWSHZQRGFXGDN-RTBURBONSA-N 1 0 364.461 2.887 20 10 FFCDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1Cc2cccc(O)c2C1 ZINC000875451992 1014029599 /nfs/dbraw/zinc/02/95/99/1014029599.db2.gz IKEXDXATTVIDAH-UHFFFAOYSA-N 1 0 352.438 2.729 20 10 FFCDRO COc1ccc(CN2CC[C@H]2CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000875811842 1014080111 /nfs/dbraw/zinc/08/01/11/1014080111.db2.gz LJAOSZTYRDAXQA-SFHVURJKSA-N 1 0 369.465 2.817 20 10 FFCDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000896983989 973133573 /nfs/dbraw/zinc/13/35/73/973133573.db2.gz GMSDGNZTLPMZJN-ZDUSSCGKSA-N 1 0 364.442 2.858 20 10 FFCDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897058181 973203742 /nfs/dbraw/zinc/20/37/42/973203742.db2.gz AASJQDVMVRXRGF-UHFFFAOYSA-N 1 0 371.462 2.912 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc2c1OCO2 ZINC000121291351 973254054 /nfs/dbraw/zinc/25/40/54/973254054.db2.gz LRCMEWVWSHLCMG-UHFFFAOYSA-N 1 0 370.449 2.893 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000876023798 1014111238 /nfs/dbraw/zinc/11/12/38/1014111238.db2.gz SYSXITZNYOPSMD-CYBMUJFWSA-N 1 0 373.457 2.747 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)C[C@@H](O)c1ccccc1O3)OCO2 ZINC000897268440 973735406 /nfs/dbraw/zinc/73/54/06/973735406.db2.gz ZYTGOTBJSUDXDG-QGZVFWFLSA-N 1 0 369.417 2.972 20 10 FFCDRO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)cnc2n1 ZINC000121309080 974054567 /nfs/dbraw/zinc/05/45/67/974054567.db2.gz GSFGDJIARRYUAP-UHFFFAOYSA-N 1 0 365.481 2.815 20 10 FFCDRO CN(C)C(=O)c1ccccc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448953 976459981 /nfs/dbraw/zinc/45/99/81/976459981.db2.gz ZNCBBZOSQLQDBH-OAQYLSRUSA-N 1 0 368.525 2.847 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccnn2-c2ccccn2)N(C)C)cc1 ZINC000898446849 976469010 /nfs/dbraw/zinc/46/90/10/976469010.db2.gz CLJOOCSBELSXTP-FQEVSTJZSA-N 1 0 364.497 2.726 20 10 FFCDRO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447779 976469354 /nfs/dbraw/zinc/46/93/54/976469354.db2.gz LXFXBUGOYVQRDL-TZIWHRDSSA-N 1 0 363.546 2.777 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCc2ccncc2)[NH+](C)C)cc1 ZINC000899103088 976913909 /nfs/dbraw/zinc/91/39/09/976913909.db2.gz VYQUPQXZWBGVRI-HXUWFJFHSA-N 1 0 369.513 2.634 20 10 FFCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893687562 977047572 /nfs/dbraw/zinc/04/75/72/977047572.db2.gz CBNMEVUGHASJOO-UKRRQHHQSA-N 1 0 366.458 2.756 20 10 FFCDRO C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000827973235 977071082 /nfs/dbraw/zinc/07/10/82/977071082.db2.gz LSHFSESAMSBGJD-INIZCTEOSA-N 1 0 353.466 2.631 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001268386204 977462340 /nfs/dbraw/zinc/46/23/40/977462340.db2.gz TZWQJKCJCMURKP-TXJVSEOTSA-N 1 0 360.498 2.803 20 10 FFCDRO CCOC1CC(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000876900156 1014414323 /nfs/dbraw/zinc/41/43/23/1014414323.db2.gz FJPKRQDPSSWLGP-UHFFFAOYSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(OC)c1 ZINC000876989311 1014441959 /nfs/dbraw/zinc/44/19/59/1014441959.db2.gz RYUJLPIKXFZYCD-UHFFFAOYSA-N 1 0 370.493 2.997 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCc4ccccc43)cc2)CC1 ZINC000876983068 1014439965 /nfs/dbraw/zinc/43/99/65/1014439965.db2.gz MEWSLPUOZHEAHX-UHFFFAOYSA-N 1 0 351.494 2.800 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cn1 ZINC000876996233 1014444757 /nfs/dbraw/zinc/44/47/57/1014444757.db2.gz QDYDXQCHWVDQCC-UHFFFAOYSA-N 1 0 354.410 2.683 20 10 FFCDRO Cc1ccn2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)nc2c1 ZINC000877019534 1014450797 /nfs/dbraw/zinc/45/07/97/1014450797.db2.gz NRLHPVPLGWPCDK-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877034518 1014456514 /nfs/dbraw/zinc/45/65/14/1014456514.db2.gz JGVUYDHDRWYLKL-VGSWGCGISA-N 1 0 354.494 2.902 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CC[C@@H]3COc4ccccc4O3)cc2)CC1 ZINC000877110034 1014477470 /nfs/dbraw/zinc/47/74/70/1014477470.db2.gz LJSOWWZHVVCKCC-HXUWFJFHSA-N 1 0 368.477 2.967 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3COC4(CCCCC4)O3)cc2)CC1 ZINC000877137358 1014485583 /nfs/dbraw/zinc/48/55/83/1014485583.db2.gz URYBYLIVUCQXPS-FQEVSTJZSA-N 1 0 360.498 2.813 20 10 FFCDRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877588540 1014636681 /nfs/dbraw/zinc/63/66/81/1014636681.db2.gz SAGCYXUMRJZPEX-FGZHOGPDSA-N 1 0 352.478 2.956 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(C)cc1O)Cc1ccc(OC)c(F)c1 ZINC000877603133 1014641892 /nfs/dbraw/zinc/64/18/92/1014641892.db2.gz GAIWWACZGZGBLM-INIZCTEOSA-N 1 0 360.429 2.543 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc(C(F)(F)F)nc3)cc2)CC1 ZINC000877620282 1014649471 /nfs/dbraw/zinc/64/94/71/1014649471.db2.gz FMKSGXKHBRWMFA-UHFFFAOYSA-N 1 0 366.387 2.746 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OCc4ccccn4)C3)cc2)CC1 ZINC000877645671 1014658013 /nfs/dbraw/zinc/65/80/13/1014658013.db2.gz RYQGYTHWRQIULH-JOCHJYFZSA-N 1 0 367.493 2.834 20 10 FFCDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000877704789 1014693611 /nfs/dbraw/zinc/69/36/11/1014693611.db2.gz MYRBVEXYDSENIC-FQEVSTJZSA-N 1 0 357.454 2.761 20 10 FFCDRO CC[NH+](CC)CCOc1cccc(NC(=O)C(=O)Nc2ccc(N)cc2)c1 ZINC000906670646 981118369 /nfs/dbraw/zinc/11/83/69/981118369.db2.gz KYPRPTSMUUPOED-UHFFFAOYSA-N 1 0 370.453 2.567 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841831753 981661359 /nfs/dbraw/zinc/66/13/59/981661359.db2.gz DLXIKPLVZYGCSG-OAQYLSRUSA-N 1 0 362.477 2.749 20 10 FFCDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000155918517 982239226 /nfs/dbraw/zinc/23/92/26/982239226.db2.gz MDOUWPZDPZCLTK-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO CC(C)[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000760397424 982391206 /nfs/dbraw/zinc/39/12/06/982391206.db2.gz DXVYQMMJFDDLNF-YZVOILCLSA-N 1 0 365.493 2.642 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(CCO)cc2)cc1Cn1cccn1 ZINC000898169823 982633166 /nfs/dbraw/zinc/63/31/66/982633166.db2.gz PWUSNTRJJITQOY-UHFFFAOYSA-N 1 0 351.450 2.765 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)CC1(O)CCCCC1)C[C@@H]1CCCO1 ZINC000878240586 1014940752 /nfs/dbraw/zinc/94/07/52/1014940752.db2.gz IPZWIFIDYQWSEJ-MOPGFXCFSA-N 1 0 363.498 2.819 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2c[nH]c3cnc(Cl)cc23)cc1 ZINC000911667100 983863528 /nfs/dbraw/zinc/86/35/28/983863528.db2.gz MVEDGDBEVXCCBW-INIZCTEOSA-N 1 0 371.872 2.641 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000878357738 1015001868 /nfs/dbraw/zinc/00/18/68/1015001868.db2.gz GEUAALKAVWYRPB-XLIONFOSSA-N 1 0 360.498 2.902 20 10 FFCDRO Cc1cccnc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878357542 1015002254 /nfs/dbraw/zinc/00/22/54/1015002254.db2.gz CILLNMOXQPXUEQ-INIZCTEOSA-N 1 0 354.454 2.516 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000057104634 984479296 /nfs/dbraw/zinc/47/92/96/984479296.db2.gz QPQFVSMSWMYQAO-UHFFFAOYSA-N 1 0 374.506 2.906 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000765074740 984954702 /nfs/dbraw/zinc/95/47/02/984954702.db2.gz MTPWZCZLIFMUPY-GOSISDBHSA-N 1 0 367.497 2.713 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000765400904 985070531 /nfs/dbraw/zinc/07/05/31/985070531.db2.gz HDRUOKXOGLKQNX-GOSISDBHSA-N 1 0 371.529 2.945 20 10 FFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3OCC[C@H]3C)CC2)cc1C ZINC000998092912 985937205 /nfs/dbraw/zinc/93/72/05/985937205.db2.gz UQNCZPBQWMSJQX-QRWLVFNGSA-N 1 0 360.498 2.757 20 10 FFCDRO NC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000914582260 987799881 /nfs/dbraw/zinc/79/98/81/987799881.db2.gz ZVMUSXFQPAAIAY-UHFFFAOYSA-N 1 0 368.437 2.974 20 10 FFCDRO Cn1cc(/C=C\C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000761980366 988019559 /nfs/dbraw/zinc/01/95/59/988019559.db2.gz BKOSSOYPRFMKAX-DANOYGIBSA-N 1 0 374.872 2.573 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000765978134 988226783 /nfs/dbraw/zinc/22/67/83/988226783.db2.gz SSUCHMUNJPAVJQ-JOCHJYFZSA-N 1 0 373.541 2.897 20 10 FFCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000915389513 988503413 /nfs/dbraw/zinc/50/34/13/988503413.db2.gz ABEVGAPQPGSQMU-UHFFFAOYSA-N 1 0 353.470 2.529 20 10 FFCDRO Cc1nnc(N2CC[NH+](Cc3ccc(N4CCCCC4)c(C)c3)CC2)n1C ZINC000879191360 1015402483 /nfs/dbraw/zinc/40/24/83/1015402483.db2.gz BBTPSFDAHQHCAR-UHFFFAOYSA-N 1 0 368.529 2.744 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000922787441 988906146 /nfs/dbraw/zinc/90/61/46/988906146.db2.gz ZBSJJYWCKHWBCP-IBGZPJMESA-N 1 0 366.458 2.516 20 10 FFCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000916839888 989997033 /nfs/dbraw/zinc/99/70/33/989997033.db2.gz MYVPRZKGFMDUCB-OAHLLOKOSA-N 1 0 360.458 2.686 20 10 FFCDRO COC(=O)c1cc2ccccc2c(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000917479890 990226139 /nfs/dbraw/zinc/22/61/39/990226139.db2.gz VCRRJPZMGDYRDY-UHFFFAOYSA-N 1 0 354.450 2.860 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000155005027 990665699 /nfs/dbraw/zinc/66/56/99/990665699.db2.gz YIXFZQQWMXGLOV-HXUWFJFHSA-N 1 0 366.509 2.945 20 10 FFCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000919907960 990760762 /nfs/dbraw/zinc/76/07/62/990760762.db2.gz BHRZJONQCUTOLO-UHFFFAOYSA-N 1 0 351.454 2.523 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H](C)C3CC3)CC2)cc1 ZINC000920053718 990786598 /nfs/dbraw/zinc/78/65/98/990786598.db2.gz IGTYVNKRBDGSDD-KRWDZBQOSA-N 1 0 374.529 2.553 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000920252590 990819968 /nfs/dbraw/zinc/81/99/68/990819968.db2.gz NJMWZGVUYXHLTO-LJQANCHMSA-N 1 0 352.482 2.676 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000920921574 990933411 /nfs/dbraw/zinc/93/34/11/990933411.db2.gz MJSVYUXLEBWZOM-QRFRQXIXSA-N 1 0 372.513 2.510 20 10 FFCDRO COc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000923422124 991133209 /nfs/dbraw/zinc/13/32/09/991133209.db2.gz IXUSEFGVJKVCGR-JOCHJYFZSA-N 1 0 367.493 2.678 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000175529046 991217066 /nfs/dbraw/zinc/21/70/66/991217066.db2.gz QOBUJSNFVMZCOI-FQEVSTJZSA-N 1 0 361.530 2.942 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1O ZINC000179596889 991298779 /nfs/dbraw/zinc/29/87/79/991298779.db2.gz PXYBWRWNTSPRHJ-UHFFFAOYSA-N 1 0 357.429 2.596 20 10 FFCDRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651510 1015625378 /nfs/dbraw/zinc/62/53/78/1015625378.db2.gz YWAIRDBRXSUTOF-AWEZNQCLSA-N 1 0 355.438 2.820 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000879651168 1015625837 /nfs/dbraw/zinc/62/58/37/1015625837.db2.gz LBRVWJPLTDQSNC-LIRRHRJNSA-N 1 0 358.413 2.782 20 10 FFCDRO COCCN1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182970075 992328214 /nfs/dbraw/zinc/32/82/14/992328214.db2.gz ZJUJWMLMQLIXRD-UHFFFAOYSA-N 1 0 356.466 2.735 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000183437357 992447380 /nfs/dbraw/zinc/44/73/80/992447380.db2.gz YFDLKXONVCDFAX-MRXNPFEDSA-N 1 0 363.502 2.986 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)Cc1cc2c(cc1O)OCO2 ZINC000809737393 994600347 /nfs/dbraw/zinc/60/03/47/994600347.db2.gz GSOREUIUBZHMKI-UHFFFAOYSA-N 1 0 364.392 2.963 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)ncn3)C2)cc1C ZINC001086675750 994637211 /nfs/dbraw/zinc/63/72/11/994637211.db2.gz UCJBBICILUORGI-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccccc1 ZINC000810165352 994713198 /nfs/dbraw/zinc/71/31/98/994713198.db2.gz PHBITTOAABMANY-FGZHOGPDSA-N 1 0 352.478 2.779 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@]2(COC)OCCc3ccccc32)c(O)c1 ZINC000810158769 994719954 /nfs/dbraw/zinc/71/99/54/994719954.db2.gz TWEBMBBKEPACSX-NRFANRHFSA-N 1 0 357.450 2.995 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C[NH+](C)C)ccn3)C2)cc1 ZINC000880601750 1015888475 /nfs/dbraw/zinc/88/84/75/1015888475.db2.gz GPIRPAWUAZBOBL-INIZCTEOSA-N 1 0 369.469 2.552 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc4c(c3)CCC4)cc2)CC1 ZINC001133123480 995333136 /nfs/dbraw/zinc/33/31/36/995333136.db2.gz NNMNKHSBUMQBRO-UHFFFAOYSA-N 1 0 363.505 2.786 20 10 FFCDRO C[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001133123444 995333195 /nfs/dbraw/zinc/33/31/95/995333195.db2.gz LXEYXXCLDYSDGA-YLJYHZDGSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1cc(C(=O)Cn2cc(CCC[NH3+])nn2)c(C)n1-c1ccc(F)cc1 ZINC000880982762 1016062587 /nfs/dbraw/zinc/06/25/87/1016062587.db2.gz PFUGVBAFPLXSKA-UHFFFAOYSA-N 1 0 355.417 2.599 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000730105297 996854440 /nfs/dbraw/zinc/85/44/40/996854440.db2.gz DXVYQMMJFDDLNF-KHYOSLBOSA-N 1 0 365.493 2.642 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824435559 996938464 /nfs/dbraw/zinc/93/84/64/996938464.db2.gz UUBBCCXWBMVXAT-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824709596 997066487 /nfs/dbraw/zinc/06/64/87/997066487.db2.gz MMYAXVXVGAFDFJ-RBUKOAKNSA-N 1 0 362.514 2.729 20 10 FFCDRO CN(C)C(=O)C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000824715429 997069167 /nfs/dbraw/zinc/06/91/67/997069167.db2.gz KJKPBEJBOPHNPA-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000825130546 997225779 /nfs/dbraw/zinc/22/57/79/997225779.db2.gz YYEAOZGLZRDZOQ-OXQOHEQNSA-N 1 0 357.450 2.943 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)ccc1OC ZINC000825328287 997317174 /nfs/dbraw/zinc/31/71/74/997317174.db2.gz ZJIIOYHGFNLKEK-MJGOQNOKSA-N 1 0 359.470 2.975 20 10 FFCDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173540 997693047 /nfs/dbraw/zinc/69/30/47/997693047.db2.gz HXDJAAWLYBURAW-NHCUHLMSSA-N 1 0 373.541 2.809 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)c1ccccc1F)cc2=O ZINC000844393119 997852547 /nfs/dbraw/zinc/85/25/47/997852547.db2.gz HWJGDHGTOOFRSZ-INIZCTEOSA-N 1 0 372.400 2.992 20 10 FFCDRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000731842822 998293887 /nfs/dbraw/zinc/29/38/87/998293887.db2.gz HOWYJUWGCIOUSY-HUUCEWRRSA-N 1 0 370.449 2.861 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)[C@@H]1c1ccccc1 ZINC001144507678 998614272 /nfs/dbraw/zinc/61/42/72/998614272.db2.gz AAEVJKWQSJYHQN-IBGZPJMESA-N 1 0 368.433 2.599 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c(O)c1 ZINC001144510052 998623203 /nfs/dbraw/zinc/62/32/03/998623203.db2.gz QGXXVIDRYWEOTA-VLIAUNLRSA-N 1 0 356.422 2.880 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144516427 998628427 /nfs/dbraw/zinc/62/84/27/998628427.db2.gz YEDWFAZZUIRBNV-CQSZACIVSA-N 1 0 374.384 2.538 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1F ZINC000733322977 998962425 /nfs/dbraw/zinc/96/24/25/998962425.db2.gz YZZHQTHWKVYKIJ-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330948 998964153 /nfs/dbraw/zinc/96/41/53/998964153.db2.gz URNFUMXVVCGLJY-UHFFFAOYSA-N 1 0 374.506 2.528 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccc(=O)[nH]2)cc1C ZINC001085161237 999048258 /nfs/dbraw/zinc/04/82/58/999048258.db2.gz NVOPEXYABQAQQP-IAGOWNOFSA-N 1 0 369.465 2.935 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C)C[C@H]3CCCC[C@H]31)cc2=O ZINC000735871181 999502888 /nfs/dbraw/zinc/50/28/88/999502888.db2.gz DFAKTYLVJSWAJO-XJKCOSOUSA-N 1 0 358.442 2.765 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000738148258 999621284 /nfs/dbraw/zinc/62/12/84/999621284.db2.gz JTNWKDGEELUCLZ-OAHLLOKOSA-N 1 0 371.433 2.917 20 10 FFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000740007490 999657087 /nfs/dbraw/zinc/65/70/87/999657087.db2.gz SVURUYWMNBCUSD-LEWJYISDSA-N 1 0 352.478 2.594 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)CCC[C@H]3C)CC2)cc1 ZINC000741794530 999743161 /nfs/dbraw/zinc/74/31/61/999743161.db2.gz WGWZYJFQNHGGOE-ZWKOTPCHSA-N 1 0 359.514 2.854 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3Cc4ccccc43)cc2F)CC1 ZINC000741926081 999748807 /nfs/dbraw/zinc/74/88/07/999748807.db2.gz CJQMBAKKEZBYOY-IBGZPJMESA-N 1 0 367.468 2.924 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000745855563 999935028 /nfs/dbraw/zinc/93/50/28/999935028.db2.gz WFHUSLWMAULBHT-NJAFHUGGSA-N 1 0 361.486 2.566 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000767347568 1000110857 /nfs/dbraw/zinc/11/08/57/1000110857.db2.gz AUUFKBRFIXOBRN-UHFFFAOYSA-N 1 0 373.522 2.607 20 10 FFCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000768197288 1000194966 /nfs/dbraw/zinc/19/49/66/1000194966.db2.gz HEYLYLHXPVLDEQ-FUHWJXTLSA-N 1 0 352.482 2.943 20 10 FFCDRO COc1ccc(O)c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000846050241 1000197686 /nfs/dbraw/zinc/19/76/86/1000197686.db2.gz ZMAAVMNMERWCOY-RBBKRZOGSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1c([O-])c(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000846066970 1000202456 /nfs/dbraw/zinc/20/24/56/1000202456.db2.gz KGSMROUYHLSDOW-KRWDZBQOSA-N 1 0 371.437 2.668 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1O ZINC000846153038 1000210469 /nfs/dbraw/zinc/21/04/69/1000210469.db2.gz DVBMQDZZGXJBRB-JKSUJKDBSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000846167955 1000214870 /nfs/dbraw/zinc/21/48/70/1000214870.db2.gz PJSVHHIMDZFMJW-CVEARBPZSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1O ZINC000846140373 1000217093 /nfs/dbraw/zinc/21/70/93/1000217093.db2.gz PMIZHLGYMPJIIJ-GJZGRUSLSA-N 1 0 357.454 2.872 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC000846145042 1000218011 /nfs/dbraw/zinc/21/80/11/1000218011.db2.gz OGDZRWRTOUHWGD-HNNXBMFYSA-N 1 0 370.449 2.724 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(F)c1 ZINC000846146149 1000219033 /nfs/dbraw/zinc/21/90/33/1000219033.db2.gz NPYQAALWYKDUIF-UHFFFAOYSA-N 1 0 354.429 2.660 20 10 FFCDRO C[C@H](NC(=O)c1ccccc1CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000846672229 1000405798 /nfs/dbraw/zinc/40/57/98/1000405798.db2.gz DSZZNGUYJIMZGX-INIZCTEOSA-N 1 0 353.466 2.515 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000846674859 1000406367 /nfs/dbraw/zinc/40/63/67/1000406367.db2.gz WETNUTKAJKQQQZ-CABCVRRESA-N 1 0 367.440 2.763 20 10 FFCDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769147928 1000446931 /nfs/dbraw/zinc/44/69/31/1000446931.db2.gz IGTYSFVYYJNFSJ-INIZCTEOSA-N 1 0 360.458 2.815 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769504541 1000536728 /nfs/dbraw/zinc/53/67/28/1000536728.db2.gz UTUQKHHEWKMZQB-INIZCTEOSA-N 1 0 364.461 2.826 20 10 FFCDRO Cc1nnc(COC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)o1 ZINC000769662762 1000571727 /nfs/dbraw/zinc/57/17/27/1000571727.db2.gz HVYLFXHASKAMPW-UHFFFAOYSA-N 1 0 368.437 2.843 20 10 FFCDRO Oc1ccccc1CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000770551744 1000819092 /nfs/dbraw/zinc/81/90/92/1000819092.db2.gz XDBOKNIIVJHCMC-UHFFFAOYSA-N 1 0 352.438 2.755 20 10 FFCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772358029 1001361513 /nfs/dbraw/zinc/36/15/13/1001361513.db2.gz WTXSGLZGQUMYOB-NVXWUHKLSA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000772443118 1001395565 /nfs/dbraw/zinc/39/55/65/1001395565.db2.gz IIZQASGIZVAKFG-FUHWJXTLSA-N 1 0 352.482 2.943 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000786703701 1001618167 /nfs/dbraw/zinc/61/81/67/1001618167.db2.gz IPGSLYBAXCLMIP-UHFFFAOYSA-N 1 0 370.501 2.846 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000787997036 1001741841 /nfs/dbraw/zinc/74/18/41/1001741841.db2.gz VSCYFLAWBDCFED-HMXCVIKNSA-N 1 0 371.525 2.648 20 10 FFCDRO CCO[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087072498 1001752802 /nfs/dbraw/zinc/75/28/02/1001752802.db2.gz KJUAYUZQRRSKJX-ZHALLVOQSA-N 1 0 366.477 2.705 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001182851883 1002084608 /nfs/dbraw/zinc/08/46/08/1002084608.db2.gz LRVVFGNMRSQDPL-INIZCTEOSA-N 1 0 371.403 2.717 20 10 FFCDRO C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000789987839 1002249990 /nfs/dbraw/zinc/24/99/90/1002249990.db2.gz XQZIXUJICIPCQU-AWEZNQCLSA-N 1 0 358.413 2.974 20 10 FFCDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000746949905 1002532332 /nfs/dbraw/zinc/53/23/32/1002532332.db2.gz LOEPXWQWGVJAMV-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001203647992 1003439744 /nfs/dbraw/zinc/43/97/44/1003439744.db2.gz AYUHGPZRRIIZFR-UHFFFAOYSA-N 1 0 364.243 2.988 20 10 FFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000793612732 1003444148 /nfs/dbraw/zinc/44/41/48/1003444148.db2.gz VHZMWUMEOBTKFI-YOEHRIQHSA-N 1 0 373.449 2.919 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c1O ZINC000775676164 1003625679 /nfs/dbraw/zinc/62/56/79/1003625679.db2.gz MXEYNYAPUMRVLN-VQIMIIECSA-N 1 0 359.514 2.513 20 10 FFCDRO CC(C)N(CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775725810 1003825413 /nfs/dbraw/zinc/82/54/13/1003825413.db2.gz SXVSXIKQUNNZQO-UHFFFAOYSA-N 1 0 361.530 2.991 20 10 FFCDRO COc1cc(C(=O)N2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc(O)c1O ZINC001193095951 1004383289 /nfs/dbraw/zinc/38/32/89/1004383289.db2.gz BLLOERXEYMWDTJ-UHFFFAOYSA-N 1 0 360.454 2.587 20 10 FFCDRO COc1ccc(C[NH2+][C@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC001197818420 1004387626 /nfs/dbraw/zinc/38/76/26/1004387626.db2.gz JHJJULXOGBRWIG-HXUWFJFHSA-N 1 0 364.486 2.855 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775831052 1004527907 /nfs/dbraw/zinc/52/79/07/1004527907.db2.gz OMFWDMNSDBOLLV-WMLDXEAASA-N 1 0 359.426 2.751 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cncnc3C)C2)cc1C ZINC001086651112 1004564766 /nfs/dbraw/zinc/56/47/66/1004564766.db2.gz HBTYLEZQFGTLLD-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000775979247 1004948860 /nfs/dbraw/zinc/94/88/60/1004948860.db2.gz TVHSUPYBJVVKNM-LZQZEXGQSA-N 1 0 363.458 2.867 20 10 FFCDRO C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000776250550 1005313357 /nfs/dbraw/zinc/31/33/57/1005313357.db2.gz VNNKPWQVDYMDIH-QGZVFWFLSA-N 1 0 374.529 2.567 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)C3CC3)cc2F)CC1 ZINC000106584754 1005343095 /nfs/dbraw/zinc/34/30/95/1005343095.db2.gz JDOLVVYBVAONJS-HNNXBMFYSA-N 1 0 362.493 2.908 20 10 FFCDRO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000776291453 1005353551 /nfs/dbraw/zinc/35/35/51/1005353551.db2.gz RECWTHGGZFJRTE-OLZOCXBDSA-N 1 0 364.442 2.951 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(OC)c3)cc2F)CC1 ZINC000106702787 1005356656 /nfs/dbraw/zinc/35/66/56/1005356656.db2.gz ZKIDRXLPAZAMRT-UHFFFAOYSA-N 1 0 371.456 2.906 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000107328618 1005416315 /nfs/dbraw/zinc/41/63/15/1005416315.db2.gz ROCBOVDZMLTBPJ-UHFFFAOYSA-N 1 0 374.529 2.838 20 10 FFCDRO CC(=O)NCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000850344013 1005808689 /nfs/dbraw/zinc/80/86/89/1005808689.db2.gz ZYSOSMXFRXTIOY-UHFFFAOYSA-N 1 0 371.456 2.588 20 10 FFCDRO OCCO[C@]1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOC1 ZINC000850509608 1005819522 /nfs/dbraw/zinc/81/95/22/1005819522.db2.gz RZPUDELERNIMOP-UNMCSNQZSA-N 1 0 371.477 2.824 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000851642145 1005902184 /nfs/dbraw/zinc/90/21/84/1005902184.db2.gz SVXFNGPVXMDKEC-HXUWFJFHSA-N 1 0 353.466 2.824 20 10 FFCDRO CN(CC(C)(C)[NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000851657255 1005903723 /nfs/dbraw/zinc/90/37/23/1005903723.db2.gz VSKUVNVXJIOXGJ-UHFFFAOYSA-N 1 0 370.444 2.636 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000852186292 1005948826 /nfs/dbraw/zinc/94/88/26/1005948826.db2.gz DUANILIZTNSKHG-KSZLIROESA-N 1 0 374.529 2.694 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC4=C(CCC(=O)N4)C3)cc2)CC1 ZINC000852296109 1005964780 /nfs/dbraw/zinc/96/47/80/1005964780.db2.gz QTHRKZUEPXRMMR-UHFFFAOYSA-N 1 0 355.482 2.672 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCCCC[NH+]3CCCC3)C2)cc1 ZINC000852356611 1005991542 /nfs/dbraw/zinc/99/15/42/1005991542.db2.gz JLNIUIRVCDWUNB-GOSISDBHSA-N 1 0 374.529 2.839 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000852455238 1006035381 /nfs/dbraw/zinc/03/53/81/1006035381.db2.gz SZEBDYJSJSYVJA-MJGOQNOKSA-N 1 0 372.513 2.544 20 10 FFCDRO CC[C@](C)([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881356328 1006060191 /nfs/dbraw/zinc/06/01/91/1006060191.db2.gz CDGHJJSFQIZPCT-IBGZPJMESA-N 1 0 370.432 2.687 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)c2C)cc1 ZINC000814145363 1006163263 /nfs/dbraw/zinc/16/32/63/1006163263.db2.gz MQBMKQDHAMCAEW-UZLBHIALSA-N 1 0 353.466 2.879 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC000852776585 1006177958 /nfs/dbraw/zinc/17/79/58/1006177958.db2.gz UODIKAXEGWIMJL-MRXNPFEDSA-N 1 0 355.486 2.605 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)cc1F ZINC000815059595 1006504309 /nfs/dbraw/zinc/50/43/09/1006504309.db2.gz FCCZBZNYSZJSSS-GOSISDBHSA-N 1 0 362.420 2.699 20 10 FFCDRO Cc1cc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)ccc1N(C)C ZINC000815072703 1006507927 /nfs/dbraw/zinc/50/79/27/1006507927.db2.gz RCPLMNGTAULSIT-UHFFFAOYSA-N 1 0 363.456 2.970 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3n2CCCCC3)[NH+](C)C)cc1 ZINC001134881631 1006517030 /nfs/dbraw/zinc/51/70/30/1006517030.db2.gz BRFDLNULKYBTRS-SFHVURJKSA-N 1 0 369.513 2.708 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000853985024 1006615866 /nfs/dbraw/zinc/61/58/66/1006615866.db2.gz VSEYREFMRQDXGK-QZTJIDSGSA-N 1 0 374.529 2.838 20 10 FFCDRO OCC1(Cc2ccccc2)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000775194777 1006705614 /nfs/dbraw/zinc/70/56/14/1006705614.db2.gz YPYHOOQAIGIFQH-UHFFFAOYSA-N 1 0 355.434 2.938 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000854302032 1006767532 /nfs/dbraw/zinc/76/75/32/1006767532.db2.gz WWFGPVZZTOOYSB-PKOBYXMFSA-N 1 0 372.513 2.544 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC3(C)C)CC2)cc1 ZINC000854309130 1006769553 /nfs/dbraw/zinc/76/95/53/1006769553.db2.gz GEWWNKSGMRHTEZ-IBGZPJMESA-N 1 0 359.514 2.760 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)c1 ZINC001135458386 1006946687 /nfs/dbraw/zinc/94/66/87/1006946687.db2.gz MKPSFXTUNLAYOY-GOSISDBHSA-N 1 0 370.449 2.602 20 10 FFCDRO CC1=NO[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000854804616 1006987090 /nfs/dbraw/zinc/98/70/90/1006987090.db2.gz RWJLVLBNMVHXTE-MRXNPFEDSA-N 1 0 368.481 2.689 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C(C)(C)C3(F)F)cc2)CC1 ZINC000883779409 1007002357 /nfs/dbraw/zinc/00/23/57/1007002357.db2.gz XCEZQZVCIAFDND-MRXNPFEDSA-N 1 0 366.456 2.529 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816542268 1007104109 /nfs/dbraw/zinc/10/41/09/1007104109.db2.gz JALLKEIGFIRBLC-UHFFFAOYSA-N 1 0 350.418 2.960 20 10 FFCDRO CN1CCCc2cc(CNC(=O)[C@H]([NH3+])Cc3c[nH]c4ccccc34)ccc21 ZINC000884205189 1007310966 /nfs/dbraw/zinc/31/09/66/1007310966.db2.gz PJQUSOGHNCKSRC-LJQANCHMSA-N 1 0 362.477 2.737 20 10 FFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000776813098 1007353231 /nfs/dbraw/zinc/35/32/31/1007353231.db2.gz TZXQCHWETNBPBL-PZJWPPBQSA-N 1 0 357.450 2.969 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000775370432 1007547136 /nfs/dbraw/zinc/54/71/36/1007547136.db2.gz GFNWDEGHTZNCEK-ZDUSSCGKSA-N 1 0 372.421 2.851 20 10 FFCDRO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775369922 1007555563 /nfs/dbraw/zinc/55/55/63/1007555563.db2.gz SRGXPHZXBZMVRZ-LBPRGKRZSA-N 1 0 360.410 2.707 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000775373900 1007567456 /nfs/dbraw/zinc/56/74/56/1007567456.db2.gz ZNMCWJAZXFMRQN-LBPRGKRZSA-N 1 0 357.410 2.649 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000817423689 1007601925 /nfs/dbraw/zinc/60/19/25/1007601925.db2.gz QIVOVVUDCDEJGO-GUDVDZBRSA-N 1 0 371.525 2.760 20 10 FFCDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895339 1007802503 /nfs/dbraw/zinc/80/25/03/1007802503.db2.gz SZYOHPSGCZFUMB-KKSFZXQISA-N 1 0 371.500 2.835 20 10 FFCDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938314 1007816409 /nfs/dbraw/zinc/81/64/09/1007816409.db2.gz IULIYZZPNSZAQY-MAUKXSAKSA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000817938467 1007817444 /nfs/dbraw/zinc/81/74/44/1007817444.db2.gz LBQMHNTZPVBKGH-KUHUBIRLSA-N 1 0 352.482 2.988 20 10 FFCDRO C[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817940512 1007818907 /nfs/dbraw/zinc/81/89/07/1007818907.db2.gz NPVQNSBEFYNBER-QGZVFWFLSA-N 1 0 372.488 2.888 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21 ZINC000817999942 1007829878 /nfs/dbraw/zinc/82/98/78/1007829878.db2.gz ZKAUQVXKWXQNBZ-QAPCUYQASA-N 1 0 370.522 2.872 20 10 FFCDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001206362026 1032256062 /nfs/dbraw/zinc/25/60/62/1032256062.db2.gz MENRLSXNWNXARF-GOSISDBHSA-N 1 0 355.885 2.830 20 10 FFCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)NC3(C[NH3+])COC3)c2)cc1 ZINC001190974714 1007857048 /nfs/dbraw/zinc/85/70/48/1007857048.db2.gz PPPXDWJLMIYAME-UHFFFAOYSA-N 1 0 353.426 2.626 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000818221868 1007888277 /nfs/dbraw/zinc/88/82/77/1007888277.db2.gz USTUBURLQLMBSA-KRWDZBQOSA-N 1 0 374.506 2.715 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)cc1 ZINC000818343398 1007905904 /nfs/dbraw/zinc/90/59/04/1007905904.db2.gz AXMQZQQCSNQNBD-QGZVFWFLSA-N 1 0 367.497 2.570 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000818655862 1007960487 /nfs/dbraw/zinc/96/04/87/1007960487.db2.gz OGKKUXYSJWYTQK-OXQOHEQNSA-N 1 0 368.481 2.521 20 10 FFCDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000818953323 1007991533 /nfs/dbraw/zinc/99/15/33/1007991533.db2.gz GMGGPSUPIZDIIF-IBGZPJMESA-N 1 0 371.437 2.725 20 10 FFCDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819115117 1008048011 /nfs/dbraw/zinc/04/80/11/1008048011.db2.gz CTZRXCCWRLQQSX-NSHGMRRFSA-N 1 0 363.546 2.592 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1 ZINC000819121623 1008048731 /nfs/dbraw/zinc/04/87/31/1008048731.db2.gz NBOQOQDTZFDZKB-FQEVSTJZSA-N 1 0 362.420 2.749 20 10 FFCDRO CC(C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)[NH+]1CCC(C)CC1 ZINC000819163844 1008053428 /nfs/dbraw/zinc/05/34/28/1008053428.db2.gz BEZKYIPTSRHCJT-GOSISDBHSA-N 1 0 373.497 2.913 20 10 FFCDRO CC[NH+](CC)[C@H](CC(C)C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166244 1008055239 /nfs/dbraw/zinc/05/52/39/1008055239.db2.gz QNGOWFUXZPGMAZ-QGZVFWFLSA-N 1 0 361.486 2.913 20 10 FFCDRO CC[NH+](CC)[C@@H](CC(C)C)CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819166243 1008055406 /nfs/dbraw/zinc/05/54/06/1008055406.db2.gz QNGOWFUXZPGMAZ-KRWDZBQOSA-N 1 0 361.486 2.913 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3cccc(C)c3C)CC2)cc1 ZINC000819394096 1008113809 /nfs/dbraw/zinc/11/38/09/1008113809.db2.gz QHTONHAAVCILKK-HXUWFJFHSA-N 1 0 369.509 2.907 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000819380384 1008128077 /nfs/dbraw/zinc/12/80/77/1008128077.db2.gz PUZAMEDZCMBKST-FXAWDEMLSA-N 1 0 358.457 2.854 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3ccc(C)c(C)c3)CC2)cc1 ZINC000819389728 1008132393 /nfs/dbraw/zinc/13/23/93/1008132393.db2.gz RTGOMHCYOQQWLR-NRFANRHFSA-N 1 0 369.509 2.907 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)cc1 ZINC000857439884 1008146400 /nfs/dbraw/zinc/14/64/00/1008146400.db2.gz IKKAXBHMVUMHLM-UHFFFAOYSA-N 1 0 368.481 2.504 20 10 FFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000820098618 1008285855 /nfs/dbraw/zinc/28/58/55/1008285855.db2.gz BRMIYDRRYJGNFL-OAQYLSRUSA-N 1 0 371.525 2.528 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858490561 1008368311 /nfs/dbraw/zinc/36/83/11/1008368311.db2.gz ZKRUZMMWDJVEEY-DZGCQCFKSA-N 1 0 372.860 2.803 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(F)ccc3F)CC2)cc1 ZINC001177515171 1008637774 /nfs/dbraw/zinc/63/77/74/1008637774.db2.gz FDHAXSQZEBRGTD-UHFFFAOYSA-N 1 0 361.436 2.885 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000886325893 1008639474 /nfs/dbraw/zinc/63/94/74/1008639474.db2.gz UUOAJVPSLAYNLP-UHFFFAOYSA-N 1 0 359.420 2.956 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c(C(F)(F)F)c1 ZINC000822530152 1008648350 /nfs/dbraw/zinc/64/83/50/1008648350.db2.gz RQHIOBPTAPWTAL-UHFFFAOYSA-N 1 0 370.419 2.761 20 10 FFCDRO C[C@@]1(C[NH3+])CCCCN(Cc2cccc(I)c2O)C1 ZINC001206572596 1032346899 /nfs/dbraw/zinc/34/68/99/1032346899.db2.gz CWRDJGWZMJASEA-HNNXBMFYSA-N 1 0 374.266 2.948 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[N@H+](C)C3CCCC3)C2)cc1 ZINC000822973441 1008846527 /nfs/dbraw/zinc/84/65/27/1008846527.db2.gz VQFDUOHFJSOJBC-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000886749553 1008859883 /nfs/dbraw/zinc/85/98/83/1008859883.db2.gz WMECLVWIONMEOC-XUVXKRRUSA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000823692296 1009174641 /nfs/dbraw/zinc/17/46/41/1009174641.db2.gz APGDEGDLGAJZRU-ZWKOTPCHSA-N 1 0 374.529 2.553 20 10 FFCDRO CN(c1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1)C1CCCCC1 ZINC000861567659 1009466865 /nfs/dbraw/zinc/46/68/65/1009466865.db2.gz NGSZNPXVUKVSIS-UHFFFAOYSA-N 1 0 374.529 2.763 20 10 FFCDRO C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC000861621067 1009488171 /nfs/dbraw/zinc/48/81/71/1009488171.db2.gz WIJGTLOGDHFNKB-OXJNMPFZSA-N 1 0 374.529 2.614 20 10 FFCDRO COc1cc(C)c(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c(O)c1 ZINC001180165096 1009585717 /nfs/dbraw/zinc/58/57/17/1009585717.db2.gz DFJXONINNSCHFM-UHFFFAOYSA-N 1 0 358.438 2.877 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000861901954 1009613902 /nfs/dbraw/zinc/61/39/02/1009613902.db2.gz GSZQTQHVYCXZQK-UZLBHIALSA-N 1 0 351.450 2.683 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1O ZINC000862539608 1009874886 /nfs/dbraw/zinc/87/48/86/1009874886.db2.gz ZZEKWRHNJUQREA-XZDPQHSOSA-N 1 0 368.399 2.932 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cc2)CC1 ZINC000889659129 1010045085 /nfs/dbraw/zinc/04/50/85/1010045085.db2.gz RKLQNHFMVGWKLN-KDURUIRLSA-N 1 0 354.498 2.546 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCC(F)(F)CC3)cc2)CC1 ZINC000889661085 1010045229 /nfs/dbraw/zinc/04/52/29/1010045229.db2.gz QILORRMBWGOGNH-UHFFFAOYSA-N 1 0 366.456 2.769 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(O)c1 ZINC001182139490 1010393754 /nfs/dbraw/zinc/39/37/54/1010393754.db2.gz KSUDLCVBKWXMLO-LBPRGKRZSA-N 1 0 360.376 2.600 20 10 FFCDRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000794607867 1010440132 /nfs/dbraw/zinc/44/01/32/1010440132.db2.gz WHIGADRYMYFMDH-FCHUYYIVSA-N 1 0 369.509 2.717 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000794657485 1010459768 /nfs/dbraw/zinc/45/97/68/1010459768.db2.gz GMKVOJPGMOTTGX-LHSJRXKWSA-N 1 0 371.433 2.712 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000866528870 1011011817 /nfs/dbraw/zinc/01/18/17/1011011817.db2.gz BJQRLXUUISHWJB-FXAWDEMLSA-N 1 0 360.498 2.760 20 10 FFCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796295735 1011698259 /nfs/dbraw/zinc/69/82/59/1011698259.db2.gz VLVNOEOVZQUEPV-QFIPXVFZSA-N 1 0 364.537 2.585 20 10 FFCDRO COC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001172632141 1011905168 /nfs/dbraw/zinc/90/51/68/1011905168.db2.gz HWBXIHUQHFNUBC-JKSUJKDBSA-N 1 0 362.470 2.558 20 10 FFCDRO CSCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001275104471 1011939951 /nfs/dbraw/zinc/93/99/51/1011939951.db2.gz UCQWVKHLBYFSBK-HXUWFJFHSA-N 1 0 361.555 2.930 20 10 FFCDRO C[NH+]1CCN(c2ccc(-c3noc(-c4nnsc4C4CC4)n3)cc2)CC1 ZINC001212679656 1011988279 /nfs/dbraw/zinc/98/82/79/1011988279.db2.gz NHQSJOVTPFYABK-UHFFFAOYSA-N 1 0 368.466 2.884 20 10 FFCDRO CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)C1=O ZINC001275230075 1012111333 /nfs/dbraw/zinc/11/13/33/1012111333.db2.gz UZDGVKBHTBQRQM-IBGZPJMESA-N 1 0 366.408 2.668 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2O)N1CCCn1cccc1 ZINC001275232576 1012113690 /nfs/dbraw/zinc/11/36/90/1012113690.db2.gz TWRRLTMJSTTWOQ-RTBURBONSA-N 1 0 353.466 2.849 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC(=O)N(C4CCCC4)C3=O)C2)c1 ZINC001275239026 1012124897 /nfs/dbraw/zinc/12/48/97/1012124897.db2.gz PGAXYNOQCUFDLG-NRFANRHFSA-N 1 0 356.466 2.984 20 10 FFCDRO CCOc1cccc(CN2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c1O ZINC001275244324 1012135593 /nfs/dbraw/zinc/13/55/93/1012135593.db2.gz FZAQRKOTQGVAOR-KRWDZBQOSA-N 1 0 372.387 2.920 20 10 FFCDRO Cn1cncc1CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001275254539 1012147162 /nfs/dbraw/zinc/14/71/62/1012147162.db2.gz SKTGVRMKRBBVRG-IBGZPJMESA-N 1 0 374.872 2.546 20 10 FFCDRO COC1(CC(=O)N2CCC3(C[NH+](Cc4cc(F)ccc4O)C3)C2)CCC1 ZINC001279193099 1012524298 /nfs/dbraw/zinc/52/42/98/1012524298.db2.gz ZFGXPAWMEIRVDZ-UHFFFAOYSA-N 1 0 362.445 2.525 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(C)C)C3)cc(O)c1O ZINC001275676514 1012831181 /nfs/dbraw/zinc/83/11/81/1012831181.db2.gz PLCYLGHOKPUUNW-FQEVSTJZSA-N 1 0 362.470 2.719 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173763475 1012954818 /nfs/dbraw/zinc/95/48/18/1012954818.db2.gz HAGMKACUMQNLHZ-HUUCEWRRSA-N 1 0 366.469 2.715 20 10 FFCDRO O=C(CC[C@@H]1CCC[NH2+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359445 1032678981 /nfs/dbraw/zinc/67/89/81/1032678981.db2.gz UJJIKGRHCAFEIK-AWEZNQCLSA-N 1 0 367.440 2.905 20 10 FFCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924729374 1017451759 /nfs/dbraw/zinc/45/17/59/1017451759.db2.gz MTBRDSWPAVGWKC-OPYAIIAOSA-N 1 0 361.530 2.808 20 10 FFCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000828436189 1032700529 /nfs/dbraw/zinc/70/05/29/1032700529.db2.gz WFYZLNTYEUSYEL-HXUWFJFHSA-N 1 0 360.498 2.731 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(-n2cnnc2)c1 ZINC000924751035 1017463089 /nfs/dbraw/zinc/46/30/89/1017463089.db2.gz IPFWJJKCLQQRTG-KRWDZBQOSA-N 1 0 363.465 2.955 20 10 FFCDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924908156 1017542597 /nfs/dbraw/zinc/54/25/97/1017542597.db2.gz UKENPBUYLAVJCB-ZFWWWQNUSA-N 1 0 367.440 2.904 20 10 FFCDRO NC(=O)C1CCN(c2ccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000925776229 1017847075 /nfs/dbraw/zinc/84/70/75/1017847075.db2.gz FNFUJPJFSVIKCV-RTWAWAEBSA-N 1 0 364.493 2.623 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)cc1 ZINC000827458408 1018115459 /nfs/dbraw/zinc/11/54/59/1018115459.db2.gz AFTMKROBHWQJDE-JOIKAWEESA-N 1 0 371.525 2.888 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000827481539 1018204855 /nfs/dbraw/zinc/20/48/55/1018204855.db2.gz PCUIPYRKDSHUHT-UHFFFAOYSA-N 1 0 354.494 2.890 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927056338 1018338099 /nfs/dbraw/zinc/33/80/99/1018338099.db2.gz ROJPVRJZBNYESH-LRHNDGHRSA-N 1 0 364.461 2.995 20 10 FFCDRO CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000827567870 1018497123 /nfs/dbraw/zinc/49/71/23/1018497123.db2.gz ZYAVTPNKFPTTQE-HXUWFJFHSA-N 1 0 367.493 2.866 20 10 FFCDRO CN(C)c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000827698656 1018618929 /nfs/dbraw/zinc/61/89/29/1018618929.db2.gz AFGNPIUMJXEUIN-QGZVFWFLSA-N 1 0 371.447 2.802 20 10 FFCDRO Cc1cc(C(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000827797943 1018694261 /nfs/dbraw/zinc/69/42/61/1018694261.db2.gz IQMDPLPONVNQDU-GOSISDBHSA-N 1 0 370.472 2.979 20 10 FFCDRO CCC[N@H+](Cc1nc(-c2cc(OC)ncn2)no1)Cc1ccccc1O ZINC000827938007 1019056416 /nfs/dbraw/zinc/05/64/16/1019056416.db2.gz GXMTXWWXLUFNOP-UHFFFAOYSA-N 1 0 355.398 2.653 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000801595701 1019155008 /nfs/dbraw/zinc/15/50/08/1019155008.db2.gz INHUEVKGOHKMBS-KRWDZBQOSA-N 1 0 356.470 2.842 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2c(O)cccc2OC)N2CCOCC2)cc1 ZINC000725841526 1020267537 /nfs/dbraw/zinc/26/75/37/1020267537.db2.gz MGQVVKSCXJBDBV-IBGZPJMESA-N 1 0 372.465 2.573 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4[C@H]3CCCN4CCO)c2c1 ZINC000902642125 1020363824 /nfs/dbraw/zinc/36/38/24/1020363824.db2.gz FFZOWTUYFXEUND-WOJBJXKFSA-N 1 0 356.466 2.585 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1C[C@@H]1C(F)F ZINC000800933851 1020650220 /nfs/dbraw/zinc/65/02/20/1020650220.db2.gz HUXTYQFXWOELHG-ROUUACIJSA-N 1 0 363.452 2.736 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+]CCC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001217980256 1032931655 /nfs/dbraw/zinc/93/16/55/1032931655.db2.gz KHQKBPCESOGQPI-WBVHZDCISA-N 1 0 369.392 2.945 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218023436 1032958775 /nfs/dbraw/zinc/95/87/75/1032958775.db2.gz IHCKPQQBDDHXSQ-LRDDRELGSA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218030659 1032962837 /nfs/dbraw/zinc/96/28/37/1032962837.db2.gz TTZZHUXAOWKDDB-MLGOLLRUSA-N 1 0 351.402 2.935 20 10 FFCDRO COc1c(O[C@@H]2C[NH2+][C@H](C)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001218047800 1032970476 /nfs/dbraw/zinc/97/04/76/1032970476.db2.gz DOLQPOKLGAAJPX-NEPJUHHUSA-N 1 0 367.401 2.614 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)cc2F)CC1 ZINC001116695307 1021359504 /nfs/dbraw/zinc/35/95/04/1021359504.db2.gz BGSAXMYTQXHSAV-LJQANCHMSA-N 1 0 361.505 2.969 20 10 FFCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116755295 1021397101 /nfs/dbraw/zinc/39/71/01/1021397101.db2.gz CFAFFZICTGUUAR-NRFANRHFSA-N 1 0 363.521 2.951 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000934836937 1021421640 /nfs/dbraw/zinc/42/16/40/1021421640.db2.gz GCYCGGHSYIIEGW-MOPGFXCFSA-N 1 0 359.514 2.507 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@@H]3CCC34C[NH2+]C4)c21 ZINC001218244356 1033067566 /nfs/dbraw/zinc/06/75/66/1033067566.db2.gz ONFZZSAPDONABG-OAHLLOKOSA-N 1 0 364.357 2.501 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000159477519 1022694464 /nfs/dbraw/zinc/69/44/64/1022694464.db2.gz OLKYNHHXIGRVDC-IBGZPJMESA-N 1 0 371.481 2.559 20 10 FFCDRO O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@H]3CCC[NH2+]C3)c21 ZINC001218284483 1033086966 /nfs/dbraw/zinc/08/69/66/1033086966.db2.gz ZZUZPTAWPDKPKX-SUMWQHHRSA-N 1 0 371.389 2.641 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4cnn(C)c4)CC3)c2c1 ZINC000074721961 1022926755 /nfs/dbraw/zinc/92/67/55/1022926755.db2.gz KXPJUZNTEJNURC-UHFFFAOYSA-N 1 0 352.438 2.610 20 10 FFCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000075860808 1023167578 /nfs/dbraw/zinc/16/75/78/1023167578.db2.gz UJGVQXZZSXSBEO-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO CCn1nccc1CN(CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000829352658 1033116746 /nfs/dbraw/zinc/11/67/46/1033116746.db2.gz XSOFTSXVMDPCKD-UHFFFAOYSA-N 1 0 372.513 2.513 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c(C)n1-c1ccccc1C ZINC000189465358 1023285591 /nfs/dbraw/zinc/28/55/91/1023285591.db2.gz DPWATJLOZMFMJA-UHFFFAOYSA-N 1 0 355.482 2.855 20 10 FFCDRO COC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000779177477 1023295326 /nfs/dbraw/zinc/29/53/26/1023295326.db2.gz BNAPXOYVZVNZHL-FQEVSTJZSA-N 1 0 371.456 2.581 20 10 FFCDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)OCCO1 ZINC000753594320 1023357249 /nfs/dbraw/zinc/35/72/49/1023357249.db2.gz ILLIHZRVYNEGEC-QGZVFWFLSA-N 1 0 364.461 2.637 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000754009719 1023414533 /nfs/dbraw/zinc/41/45/33/1023414533.db2.gz KLTSMQXNFOBNOX-PKOBYXMFSA-N 1 0 363.546 2.545 20 10 FFCDRO CC[C@H](C)C[N@H+](CC)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754052711 1023420033 /nfs/dbraw/zinc/42/00/33/1023420033.db2.gz YCEGPXWIVDFLGC-ICSRJNTNSA-N 1 0 363.546 2.546 20 10 FFCDRO Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccc(N(C)C)cc3)c2cc1C ZINC000754349130 1023458159 /nfs/dbraw/zinc/45/81/59/1023458159.db2.gz KJOGHDDNAJIMCJ-IBGZPJMESA-N 1 0 352.482 2.870 20 10 FFCDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1[O-] ZINC000756532982 1023723961 /nfs/dbraw/zinc/72/39/61/1023723961.db2.gz HEXUSARBWLGCFL-MRXNPFEDSA-N 1 0 373.476 2.574 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756858171 1023759968 /nfs/dbraw/zinc/75/99/68/1023759968.db2.gz RECGZYICVIWSNQ-APWZRJJASA-N 1 0 356.466 2.725 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CCc3nc(C(C)=O)c(C)[nH]3)CC2)cc1 ZINC000757651273 1023842912 /nfs/dbraw/zinc/84/29/12/1023842912.db2.gz SEWGQGUPTLMOIH-UHFFFAOYSA-N 1 0 356.470 2.684 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078559652 1023885999 /nfs/dbraw/zinc/88/59/99/1023885999.db2.gz UYDWEIXSSRXNLI-MNDMWVCDSA-N 1 0 361.442 2.949 20 10 FFCDRO C[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(N2CCOCC2)cc1 ZINC000779502560 1023943596 /nfs/dbraw/zinc/94/35/96/1023943596.db2.gz GFCUDKOEEXRLTR-QGZVFWFLSA-N 1 0 368.481 2.622 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000758483115 1024136184 /nfs/dbraw/zinc/13/61/84/1024136184.db2.gz LNQPGBMFKPHHQF-GOSISDBHSA-N 1 0 356.466 2.782 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(F)C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@]2(F)C1 ZINC001276850238 1033206757 /nfs/dbraw/zinc/20/67/57/1033206757.db2.gz CMUKWVWULRLWDO-NIKGAXFTSA-N 1 0 351.441 2.626 20 10 FFCDRO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(O)c3O)CC[N@@H+]2C2CC2)c1 ZINC000193154676 1024404030 /nfs/dbraw/zinc/40/40/30/1024404030.db2.gz JAIVTMGNJASHNL-MJGOQNOKSA-N 1 0 368.433 2.814 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3C(C)C)cc2F)CC1 ZINC000193560014 1024566778 /nfs/dbraw/zinc/56/67/78/1024566778.db2.gz GDARDTNPYIOWLA-UHFFFAOYSA-N 1 0 373.476 2.744 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143673 1025518255 /nfs/dbraw/zinc/51/82/55/1025518255.db2.gz FLYHDJWJQRBAPW-MRXNPFEDSA-N 1 0 361.486 2.956 20 10 FFCDRO CN1CCOc2cc(CN3CCC([N@H+](C)C4CCOCC4)CC3)ccc21 ZINC001141144336 1025519906 /nfs/dbraw/zinc/51/99/06/1025519906.db2.gz ZXPVYSMAVULOJD-UHFFFAOYSA-N 1 0 359.514 2.590 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC001141159062 1025541486 /nfs/dbraw/zinc/54/14/86/1025541486.db2.gz XNEZRVXVTKNRSI-LDQXTDLNSA-N 1 0 370.449 2.689 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000838615537 1026437962 /nfs/dbraw/zinc/43/79/62/1026437962.db2.gz JBQKSDRHLMYZQB-UHFFFAOYSA-N 1 0 374.529 2.541 20 10 FFCDRO COc1cc(CC2C[NH+](Cc3cc4c(cc3O)OCO4)C2)cc(OC)c1 ZINC000839139610 1026602666 /nfs/dbraw/zinc/60/26/66/1026602666.db2.gz WNCNMNUIFYFTTE-UHFFFAOYSA-N 1 0 357.406 2.813 20 10 FFCDRO CN(C)c1cc[nH+]cc1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146807 1026605595 /nfs/dbraw/zinc/60/55/95/1026605595.db2.gz VVKAUXDJUWJXCF-UHFFFAOYSA-N 1 0 362.424 2.552 20 10 FFCDRO Cn1nccc1[C@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000839181834 1026613562 /nfs/dbraw/zinc/61/35/62/1026613562.db2.gz DHXATCNDJBZCSK-FQEVSTJZSA-N 1 0 362.477 2.806 20 10 FFCDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839508739 1026707175 /nfs/dbraw/zinc/70/71/75/1026707175.db2.gz RMNYPTRIUPMHBV-OALUTQOASA-N 1 0 359.514 2.648 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000839541815 1026724712 /nfs/dbraw/zinc/72/47/12/1026724712.db2.gz ZUHUYRIOIKCODT-KNQAVFIVSA-N 1 0 367.493 2.736 20 10 FFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(OC)cc(C(C)(C)C)c3O)[C@H]2C1 ZINC000840084263 1026949821 /nfs/dbraw/zinc/94/98/21/1026949821.db2.gz SUBGLQVXFOYBGJ-RBUKOAKNSA-N 1 0 362.514 2.993 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000840479244 1027087768 /nfs/dbraw/zinc/08/77/68/1027087768.db2.gz MTHHCBCELMIVFY-YLJYHZDGSA-N 1 0 356.514 2.648 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000840479826 1027088125 /nfs/dbraw/zinc/08/81/25/1027088125.db2.gz RXIAGFPSQKZTHT-FXAWDEMLSA-N 1 0 358.530 2.872 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cc4n(n3)CCC4)cc2F)CC1 ZINC000840722480 1027229224 /nfs/dbraw/zinc/22/92/24/1027229224.db2.gz KOKUOXFSHFFATP-INIZCTEOSA-N 1 0 371.504 2.961 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cc4n(n3)CCC4)cc2F)CC1 ZINC000840722494 1027229605 /nfs/dbraw/zinc/22/96/05/1027229605.db2.gz KOKUOXFSHFFATP-MRXNPFEDSA-N 1 0 371.504 2.961 20 10 FFCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758036 1027238218 /nfs/dbraw/zinc/23/82/18/1027238218.db2.gz MELSVYCRDPHREQ-KRWDZBQOSA-N 1 0 362.424 2.702 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)[C@@H](O)CO2 ZINC000795702714 1027898021 /nfs/dbraw/zinc/89/80/21/1027898021.db2.gz VUUKQSJNUCUAOU-HDAAZOAOSA-N 1 0 367.445 2.823 20 10 FFCDRO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161531786 1028219155 /nfs/dbraw/zinc/21/91/55/1028219155.db2.gz JMIMFTOFBNQCSZ-CJNGLKHVSA-N 1 0 371.403 2.622 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C)cc1C ZINC001103926873 1028387169 /nfs/dbraw/zinc/38/71/69/1028387169.db2.gz PUUAJGHVRUGMHK-NVXWUHKLSA-N 1 0 356.470 2.615 20 10 FFCDRO [NH3+][C@H]1Cc2ccccc2N(c2nc(Cl)nc3c2CN(C2CC2)CC3)C1 ZINC001162840977 1028676093 /nfs/dbraw/zinc/67/60/93/1028676093.db2.gz AFPFYMRMUSYIJZ-ZDUSSCGKSA-N 1 0 355.873 2.672 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCN4CCOc5cccc3c54)cc2)CC1 ZINC000780780960 1028807671 /nfs/dbraw/zinc/80/76/71/1028807671.db2.gz DSXCIQDLDGBFGK-UHFFFAOYSA-N 1 0 364.493 2.657 20 10 FFCDRO O=C1NCc2ccnc(N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c21 ZINC001155629308 1028825058 /nfs/dbraw/zinc/82/50/58/1028825058.db2.gz HADKCQOCYDNCMJ-JRBPQWBISA-N 1 0 364.493 2.724 20 10 FFCDRO CCc1cncnc1NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001164327516 1029246900 /nfs/dbraw/zinc/24/69/00/1029246900.db2.gz KBZMIANOTVCQGL-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO CCOC(=O)Cc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156658911 1029293331 /nfs/dbraw/zinc/29/33/31/1029293331.db2.gz HLEYHYBHBGEJEA-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO CO[C@@H](C)CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000782393985 1029684016 /nfs/dbraw/zinc/68/40/16/1029684016.db2.gz LYGRSJDPIOBWIJ-KRWDZBQOSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000840929953 1029931604 /nfs/dbraw/zinc/93/16/04/1029931604.db2.gz ZSBGHXAVNQWAGK-UHFFFAOYSA-N 1 0 372.513 2.795 20 10 FFCDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC3CC(C2)CC1C3 ZINC000840962669 1029946056 /nfs/dbraw/zinc/94/60/56/1029946056.db2.gz IUKSRIAUAQQLOH-UHFFFAOYSA-N 1 0 356.510 2.800 20 10 FFCDRO OC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCCOC1 ZINC000840964582 1029947758 /nfs/dbraw/zinc/94/77/58/1029947758.db2.gz YFOYWVJPKTVMKX-ICSRJNTNSA-N 1 0 357.450 2.848 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000840976292 1029957987 /nfs/dbraw/zinc/95/79/87/1029957987.db2.gz UTAPUKXXKHETCL-IFMALSPDSA-N 1 0 354.494 2.888 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000841041911 1029995822 /nfs/dbraw/zinc/99/58/22/1029995822.db2.gz GDTYYMMSIRCRFM-FQEVSTJZSA-N 1 0 353.445 2.867 20 10 FFCDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000841093591 1030030853 /nfs/dbraw/zinc/03/08/53/1030030853.db2.gz MHXAZUYVADQLPY-OAHLLOKOSA-N 1 0 368.481 2.678 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000783505873 1030127484 /nfs/dbraw/zinc/12/74/84/1030127484.db2.gz LRWSEQVDQCUORN-AWEZNQCLSA-N 1 0 368.433 2.915 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)cc2)CC1 ZINC000783598534 1030174823 /nfs/dbraw/zinc/17/48/23/1030174823.db2.gz VSPKBRDRUKPZSB-NRFANRHFSA-N 1 0 350.510 2.898 20 10 FFCDRO [NH3+]Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000841322618 1030196526 /nfs/dbraw/zinc/19/65/26/1030196526.db2.gz QNSZSCBJXQYGRU-UHFFFAOYSA-N 1 0 368.481 2.676 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1F ZINC000841759834 1030448561 /nfs/dbraw/zinc/44/85/61/1030448561.db2.gz ITLRDOLMUJZDTK-SJLPKXTDSA-N 1 0 362.493 2.955 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N(CC[NH3+])CCc3ccccc3)ccc21 ZINC000841760519 1030448670 /nfs/dbraw/zinc/44/86/70/1030448670.db2.gz WMPMMPQPZLWXFR-UHFFFAOYSA-N 1 0 366.509 2.782 20 10 FFCDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832723 1030493556 /nfs/dbraw/zinc/49/35/56/1030493556.db2.gz RHFIDQQBVZTKEQ-UHFFFAOYSA-N 1 0 350.466 2.733 20 10 FFCDRO [NH3+]CCc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000841831955 1030493836 /nfs/dbraw/zinc/49/38/36/1030493836.db2.gz IRFUWASNUNGSIC-UHFFFAOYSA-N 1 0 350.466 2.563 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4nn(C)cc43)CC2)c(OC)c1 ZINC001142468614 1030497349 /nfs/dbraw/zinc/49/73/49/1030497349.db2.gz MBAIQVJHPWFEQA-UHFFFAOYSA-N 1 0 366.465 2.913 20 10 FFCDRO C[C@@H](CCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843700 1030499367 /nfs/dbraw/zinc/49/93/67/1030499367.db2.gz MIZAUQQFOUDLND-KBPBESRZSA-N 1 0 370.444 2.683 20 10 FFCDRO C[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841880462 1030518398 /nfs/dbraw/zinc/51/83/98/1030518398.db2.gz AEGLWRYBZFNKCW-BEVDRBHNSA-N 1 0 374.529 2.742 20 10 FFCDRO CC1CCN(C(=O)C[C@@H]2COC[C@H]3C[N@H+](Cc4ccccc4O)C[C@H]32)CC1 ZINC001203552840 1030762744 /nfs/dbraw/zinc/76/27/44/1030762744.db2.gz SRDJWUGQFBZXQS-AQNXPRMDSA-N 1 0 372.509 2.735 20 10 FFCDRO COc1cccc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1O ZINC001203591601 1030775819 /nfs/dbraw/zinc/77/58/19/1030775819.db2.gz KGUPCNJRSQGUTD-MRXNPFEDSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1O ZINC001203594093 1030779104 /nfs/dbraw/zinc/77/91/04/1030779104.db2.gz RQNXUXKSYZRKJU-KVSKMBFKSA-N 1 0 370.449 2.854 20 10 FFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC001203601632 1030780251 /nfs/dbraw/zinc/78/02/51/1030780251.db2.gz DHERUNSHZVCDQI-UHFFFAOYSA-N 1 0 360.410 2.945 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1O ZINC001203602946 1030780944 /nfs/dbraw/zinc/78/09/44/1030780944.db2.gz CWCOZMRYZFTGHY-KDURUIRLSA-N 1 0 366.461 2.995 20 10 FFCDRO CCOC[C@@H]1CN(Cc2cccc(OCC)c2O)Cc2nnn(CC)c21 ZINC001203608335 1030782869 /nfs/dbraw/zinc/78/28/69/1030782869.db2.gz MGABILLXZLQVMV-HNNXBMFYSA-N 1 0 360.458 2.538 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c1O ZINC001203607832 1030784612 /nfs/dbraw/zinc/78/46/12/1030784612.db2.gz AXIAEFLPIIKIRN-FXAWDEMLSA-N 1 0 372.465 2.717 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCN(CCOC)c3ncccc3C2)c1O ZINC001203609782 1030786812 /nfs/dbraw/zinc/78/68/12/1030786812.db2.gz KJLWLHDJIZNILH-UHFFFAOYSA-N 1 0 357.454 2.655 20 10 FFCDRO COc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001203621417 1030788732 /nfs/dbraw/zinc/78/87/32/1030788732.db2.gz DVQVMLBWOXEXPI-ROUUACIJSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c(O)c1 ZINC001203635360 1030797739 /nfs/dbraw/zinc/79/77/39/1030797739.db2.gz QYKFWBSBTPULJQ-UHFFFAOYSA-N 1 0 372.387 2.778 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001203648663 1030804953 /nfs/dbraw/zinc/80/49/53/1030804953.db2.gz RDVSZVZQHBXVBA-ZDUSSCGKSA-N 1 0 368.206 2.737 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001203657892 1030809319 /nfs/dbraw/zinc/80/93/19/1030809319.db2.gz IAHGYOAVLCVKSB-MOPGFXCFSA-N 1 0 373.884 2.916 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c1 ZINC001203670842 1030819415 /nfs/dbraw/zinc/81/94/15/1030819415.db2.gz FYLKZFKYJKLFHT-INIZCTEOSA-N 1 0 355.438 2.730 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1 ZINC001203673176 1030820369 /nfs/dbraw/zinc/82/03/69/1030820369.db2.gz PQRNEGMJZDNUTH-SFHLNBCPSA-N 1 0 370.449 2.997 20 10 FFCDRO COC(=O)c1ccc(OC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001203882877 1030954513 /nfs/dbraw/zinc/95/45/13/1030954513.db2.gz VUJUUAZRBFNEFC-UHFFFAOYSA-N 1 0 357.406 2.928 20 10 FFCDRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879181 1030956317 /nfs/dbraw/zinc/95/63/17/1030956317.db2.gz MYWYQTMTZQIDEZ-QGZVFWFLSA-N 1 0 352.434 2.736 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000842785344 1030957093 /nfs/dbraw/zinc/95/70/93/1030957093.db2.gz HTJIEHNFCPOZTR-FQEVSTJZSA-N 1 0 371.506 2.659 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)cc1 ZINC001203934169 1030993628 /nfs/dbraw/zinc/99/36/28/1030993628.db2.gz WEHDYJIKHZZWPW-MISYRCLQSA-N 1 0 368.481 2.601 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000843065821 1031169129 /nfs/dbraw/zinc/16/91/29/1031169129.db2.gz QJFJLZUFEFENII-OAQYLSRUSA-N 1 0 358.457 2.858 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC001204339152 1031235183 /nfs/dbraw/zinc/23/51/83/1031235183.db2.gz XJVYLFKFGKIYAK-UHFFFAOYSA-N 1 0 371.275 2.654 20 10 FFCDRO COc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346997 1031243549 /nfs/dbraw/zinc/24/35/49/1031243549.db2.gz KCQDXUDYRTXOJS-AWEZNQCLSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204349994 1031245879 /nfs/dbraw/zinc/24/58/79/1031245879.db2.gz ZNDSEGPWLKZCAH-CQSZACIVSA-N 1 0 359.422 2.895 20 10 FFCDRO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(O)c1O ZINC001204352094 1031247640 /nfs/dbraw/zinc/24/76/40/1031247640.db2.gz YIAAUPXNUGERRJ-QZTJIDSGSA-N 1 0 354.450 2.813 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000798108650 1031309944 /nfs/dbraw/zinc/30/99/44/1031309944.db2.gz CEYUTBWIRXDDBY-KRWDZBQOSA-N 1 0 361.486 2.997 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000843350592 1031345478 /nfs/dbraw/zinc/34/54/78/1031345478.db2.gz VLEFEFPPPQXHCG-GOSISDBHSA-N 1 0 351.450 2.538 20 10 FFCDRO COC[C@@]1(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CCC[NH2+]1 ZINC000843478696 1031421300 /nfs/dbraw/zinc/42/13/00/1031421300.db2.gz WAYVLMYWIJDREF-NRFANRHFSA-N 1 0 371.481 2.601 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3[NH2+]CCc4ccccc43)C2)cc1 ZINC000843504182 1031432134 /nfs/dbraw/zinc/43/21/34/1031432134.db2.gz DDVWOULWMWLNPL-IERDGZPVSA-N 1 0 365.477 2.525 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204869750 1031457581 /nfs/dbraw/zinc/45/75/81/1031457581.db2.gz ICQAZUCHJPLRLG-UHFFFAOYSA-N 1 0 367.493 2.662 20 10 FFCDRO Cn1c2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2[nH]c1=O ZINC000799740700 1031869179 /nfs/dbraw/zinc/86/91/79/1031869179.db2.gz ZFMAJPYPOHZFHH-UHFFFAOYSA-N 1 0 351.454 2.643 20 10 FFCDRO Nc1ccc2c(c1NC(=O)c1ccccc1C[NH3+])C(=O)c1ccccc1C2=O ZINC001219001898 1033452877 /nfs/dbraw/zinc/45/28/77/1033452877.db2.gz IHMMIIZLEXTTDX-UHFFFAOYSA-N 1 0 371.396 2.755 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3C[C@@H](F)CC[NH2+]3)cc2)cc1 ZINC001219493949 1033668843 /nfs/dbraw/zinc/66/88/43/1033668843.db2.gz ZYUDWPJQPRRONZ-SJCJKPOMSA-N 1 0 371.416 2.941 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)C1=O ZINC001276967606 1033864495 /nfs/dbraw/zinc/86/44/95/1033864495.db2.gz RIXWBPNSVKOTBJ-SFHVURJKSA-N 1 0 370.852 2.646 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025135 1034167003 /nfs/dbraw/zinc/16/70/03/1034167003.db2.gz BOKYJJRDEAMKJQ-YWZLYKJASA-N 1 0 364.461 2.689 20 10 FFCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337564 1034168912 /nfs/dbraw/zinc/16/89/12/1034168912.db2.gz AJZYNFFYUAOLNH-GOSISDBHSA-N 1 0 370.415 2.838 20 10 FFCDRO O=C1NCCC2(CC[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)CC2)O1 ZINC001138342551 1034172087 /nfs/dbraw/zinc/17/20/87/1034172087.db2.gz STDVSNDSSVPFEY-UHFFFAOYSA-N 1 0 371.481 2.556 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](NC(=O)c4ccncc4)C3)ccc21 ZINC001138359118 1034194792 /nfs/dbraw/zinc/19/47/92/1034194792.db2.gz LFOKAEXXKDUTGK-HXUWFJFHSA-N 1 0 364.493 2.858 20 10 FFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496484 1034334540 /nfs/dbraw/zinc/33/45/40/1034334540.db2.gz RFKDWFRZRLTWER-UHFFFAOYSA-N 1 0 366.461 2.868 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001138496990 1034335167 /nfs/dbraw/zinc/33/51/67/1034335167.db2.gz WUVRBIOVMTVYOW-UHFFFAOYSA-N 1 0 352.434 2.810 20 10 FFCDRO Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499783 1034339889 /nfs/dbraw/zinc/33/98/89/1034339889.db2.gz JBRLXBUMFKQOIN-FQEVSTJZSA-N 1 0 353.466 2.880 20 10 FFCDRO Cc1cc(O[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC001138499788 1034341949 /nfs/dbraw/zinc/34/19/49/1034341949.db2.gz JHIMDCJWOLTFQG-FQEVSTJZSA-N 1 0 368.481 2.665 20 10 FFCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676561 1034537443 /nfs/dbraw/zinc/53/74/43/1034537443.db2.gz NULQIGXEAPZQRK-AWEZNQCLSA-N 1 0 355.276 2.506 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000832273732 1034693801 /nfs/dbraw/zinc/69/38/01/1034693801.db2.gz PLKNITOXNSQUFG-WOJBJXKFSA-N 1 0 353.466 2.573 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000832271992 1034694299 /nfs/dbraw/zinc/69/42/99/1034694299.db2.gz BLELKVMWMITQIW-XYJFISCASA-N 1 0 359.420 2.951 20 10 FFCDRO CCCc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]c(C)c1C(C)=O ZINC000832273289 1034695783 /nfs/dbraw/zinc/69/57/83/1034695783.db2.gz MWDOTBZXIMGDPB-SFHVURJKSA-N 1 0 370.497 2.974 20 10 FFCDRO CCOc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832284618 1034703027 /nfs/dbraw/zinc/70/30/27/1034703027.db2.gz KXEJAULPCRRAJP-KRWDZBQOSA-N 1 0 357.454 2.590 20 10 FFCDRO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293186 1034705165 /nfs/dbraw/zinc/70/51/65/1034705165.db2.gz RAKZRRGDHUZCTB-FQEVSTJZSA-N 1 0 371.529 2.581 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)ccc1N(C)C ZINC001139672553 1035194485 /nfs/dbraw/zinc/19/44/85/1035194485.db2.gz YDQALGOGHVWGBG-KSEOMHKRSA-N 1 0 374.525 2.703 20 10 FFCDRO Cn1c(=O)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c2ccccc21 ZINC001139761734 1035223597 /nfs/dbraw/zinc/22/35/97/1035223597.db2.gz SUSBDVQYOTUEFX-UHFFFAOYSA-N 1 0 350.418 2.898 20 10 FFCDRO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140099699 1035341988 /nfs/dbraw/zinc/34/19/88/1035341988.db2.gz QNHYWDRKJGGPJE-ZDUSSCGKSA-N 1 0 367.287 2.845 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c1O ZINC001140178978 1035370212 /nfs/dbraw/zinc/37/02/12/1035370212.db2.gz AIVZWXYQJFGQBK-BHIYHBOVSA-N 1 0 358.482 2.515 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)c1O ZINC001140180144 1035370243 /nfs/dbraw/zinc/37/02/43/1035370243.db2.gz CASJTGYSLAUICO-UHFFFAOYSA-N 1 0 373.541 2.774 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)c1O ZINC001140181870 1035370827 /nfs/dbraw/zinc/37/08/27/1035370827.db2.gz YMIADXVTKVFQSA-QWFCFKBJSA-N 1 0 372.509 2.762 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1O ZINC001140185467 1035371833 /nfs/dbraw/zinc/37/18/33/1035371833.db2.gz WGKGTVFFOFIROU-MRXNPFEDSA-N 1 0 362.470 2.735 20 10 FFCDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834508117 1035401558 /nfs/dbraw/zinc/40/15/58/1035401558.db2.gz IJOKWNAUQMKFRV-OAHLLOKOSA-N 1 0 357.454 2.614 20 10 FFCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000834517965 1035403134 /nfs/dbraw/zinc/40/31/34/1035403134.db2.gz BAZYWFGLYFXBFP-BZUAXINKSA-N 1 0 358.461 2.950 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@]12CCC(=O)N2 ZINC001140283060 1035417409 /nfs/dbraw/zinc/41/74/09/1035417409.db2.gz KCDHMHROSTYMQX-UNMCSNQZSA-N 1 0 371.525 2.671 20 10 FFCDRO OC[C@]1([NH2+][C@@H]2CCc3cccc(O)c32)CCCN(Cc2ccccc2)C1 ZINC000834722727 1035436721 /nfs/dbraw/zinc/43/67/21/1035436721.db2.gz YKMJDLWIBCRVSO-KNQAVFIVSA-N 1 0 352.478 2.996 20 10 FFCDRO COCCN1CCOC[C@@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1 ZINC001140338376 1035443704 /nfs/dbraw/zinc/44/37/04/1035443704.db2.gz HGOKBYCFCAKFKS-IBGZPJMESA-N 1 0 368.905 2.606 20 10 FFCDRO O=C1NCN(c2ccccc2)C12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140340291 1035443865 /nfs/dbraw/zinc/44/38/65/1035443865.db2.gz VPRHQGFXAFKVBU-UHFFFAOYSA-N 1 0 371.868 2.974 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2)N1CCOCC1 ZINC001140344207 1035446191 /nfs/dbraw/zinc/44/61/91/1035446191.db2.gz GDKQTXRPDCMNDA-OAHLLOKOSA-N 1 0 364.873 2.507 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)O1 ZINC001232201992 1035497199 /nfs/dbraw/zinc/49/71/99/1035497199.db2.gz SFMFXXYCTCJZSU-IBGZPJMESA-N 1 0 364.873 2.848 20 10 FFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232204310 1035498467 /nfs/dbraw/zinc/49/84/67/1035498467.db2.gz KKXJAIYKMQJYBJ-GOSISDBHSA-N 1 0 352.862 2.562 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000835082961 1035520992 /nfs/dbraw/zinc/52/09/92/1035520992.db2.gz XLQUEVOCYHRMNK-MRXNPFEDSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000835081632 1035521191 /nfs/dbraw/zinc/52/11/91/1035521191.db2.gz ATAODWMPWIMIOY-HNNXBMFYSA-N 1 0 366.458 2.516 20 10 FFCDRO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001277204345 1035525787 /nfs/dbraw/zinc/52/57/87/1035525787.db2.gz HLMWUJLRLKQWBI-GOSISDBHSA-N 1 0 360.498 2.764 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c2ccccc2n1C ZINC001232404043 1035651999 /nfs/dbraw/zinc/65/19/99/1035651999.db2.gz KDGJOYOLQQDIJE-UHFFFAOYSA-N 1 0 351.406 2.624 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)c1 ZINC001140620224 1035746635 /nfs/dbraw/zinc/74/66/35/1035746635.db2.gz GQKCTGRAYIBHTP-WIYYLYMNSA-N 1 0 373.497 2.630 20 10 FFCDRO CC(C)c1nc(CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2F)no1 ZINC001140660259 1035811438 /nfs/dbraw/zinc/81/14/38/1035811438.db2.gz LXHFQYQOZOVACY-UHFFFAOYSA-N 1 0 362.449 2.843 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001140664651 1035819161 /nfs/dbraw/zinc/81/91/61/1035819161.db2.gz NMSZCULYLYKMLU-LJQANCHMSA-N 1 0 357.429 2.711 20 10 FFCDRO C[N@@H+]1CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)CC1 ZINC001228115888 1035942311 /nfs/dbraw/zinc/94/23/11/1035942311.db2.gz RNCAIDBGLKGRJA-HNNXBMFYSA-N 1 0 357.406 2.898 20 10 FFCDRO C[C@@H](C[NH+](C)C)Oc1cc(O)cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228189525 1035983207 /nfs/dbraw/zinc/98/32/07/1035983207.db2.gz DQBWBCNERVEGAU-GTNSWQLSSA-N 1 0 373.405 2.839 20 10 FFCDRO Cc1c(O)ccc(CN2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC001140742457 1036031222 /nfs/dbraw/zinc/03/12/22/1036031222.db2.gz OZHPTVSUSLMXOR-OAHLLOKOSA-N 1 0 366.458 2.522 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)c1O ZINC001140744563 1036032570 /nfs/dbraw/zinc/03/25/70/1036032570.db2.gz CBUAFQARKSROKZ-UHFFFAOYSA-N 1 0 370.497 2.770 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c1O ZINC001140744630 1036033868 /nfs/dbraw/zinc/03/38/68/1036033868.db2.gz FCKWJLHREGIBHF-INIZCTEOSA-N 1 0 357.454 2.678 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1O ZINC001140744790 1036035854 /nfs/dbraw/zinc/03/58/54/1036035854.db2.gz LTXRHFYPAUQPJZ-MRXNPFEDSA-N 1 0 357.454 2.661 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001140744771 1036037228 /nfs/dbraw/zinc/03/72/28/1036037228.db2.gz LGBRRUGFGSQJQH-DYESRHJHSA-N 1 0 352.434 2.512 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140745300 1036040895 /nfs/dbraw/zinc/04/08/95/1036040895.db2.gz DPIIFLAEONEONZ-UHFFFAOYSA-N 1 0 370.449 2.809 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1O ZINC001140747778 1036044382 /nfs/dbraw/zinc/04/43/82/1036044382.db2.gz AGQNYSMMYGIXQP-MAUKXSAKSA-N 1 0 370.424 2.892 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c(O)c1 ZINC001232837498 1036089124 /nfs/dbraw/zinc/08/91/24/1036089124.db2.gz JLXWCGWUZVRZQN-LPHOPBHVSA-N 1 0 351.450 2.553 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001232837516 1036089677 /nfs/dbraw/zinc/08/96/77/1036089677.db2.gz KFDCUYVXBUSWHQ-NRFANRHFSA-N 1 0 351.450 2.578 20 10 FFCDRO Oc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cc(O)c1O ZINC001233011891 1036244580 /nfs/dbraw/zinc/24/45/80/1036244580.db2.gz KOXMGYXDTCJLLB-QRWLVFNGSA-N 1 0 356.422 2.880 20 10 FFCDRO Oc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(O)c1O ZINC001233014745 1036248693 /nfs/dbraw/zinc/24/86/93/1036248693.db2.gz ABTIRHAQGNPUEY-QZTJIDSGSA-N 1 0 354.450 2.757 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c([O-])cc(Br)cc3F)CC[C@@H]21 ZINC001233033942 1036274578 /nfs/dbraw/zinc/27/45/78/1036274578.db2.gz YWDAKUXNRVSMOU-HZMBPMFUSA-N 1 0 371.250 2.737 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233135523 1036385973 /nfs/dbraw/zinc/38/59/73/1036385973.db2.gz UAEJKQKWQNFEMM-JTQLQIEISA-N 1 0 358.232 2.548 20 10 FFCDRO CN(C)C(=O)C1C[NH+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233197998 1036432998 /nfs/dbraw/zinc/43/29/98/1036432998.db2.gz VNKVFBUWUPLJQJ-UHFFFAOYSA-N 1 0 363.255 2.828 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cs2)cc1 ZINC001277348145 1036450129 /nfs/dbraw/zinc/45/01/29/1036450129.db2.gz ZIWITIPUAJVLIW-WMLDXEAASA-N 1 0 356.495 2.652 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c2ccccc2n1C ZINC001233273346 1036479322 /nfs/dbraw/zinc/47/93/22/1036479322.db2.gz YXBJSXGVPNWPJN-HNNXBMFYSA-N 1 0 367.453 2.784 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c(O)c1 ZINC001140951975 1036556985 /nfs/dbraw/zinc/55/69/85/1036556985.db2.gz AJZSSLDGWVFALE-IEBWSBKVSA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)c(O)c1 ZINC001140952569 1036557451 /nfs/dbraw/zinc/55/74/51/1036557451.db2.gz XQFNZIOYODKRCG-TZIWHRDSSA-N 1 0 370.449 2.591 20 10 FFCDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1O)N1CCOCC1 ZINC001233454050 1036634121 /nfs/dbraw/zinc/63/41/21/1036634121.db2.gz FCSJKQKPEXTEKU-HNNXBMFYSA-N 1 0 372.387 2.624 20 10 FFCDRO Oc1cc(O)c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1O ZINC001233486367 1036656073 /nfs/dbraw/zinc/65/60/73/1036656073.db2.gz KMHMFVGHLDMDER-UHFFFAOYSA-N 1 0 354.450 2.826 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141026384 1036755592 /nfs/dbraw/zinc/75/55/92/1036755592.db2.gz OGDQRDOODSJWTM-BUXKBTBVSA-N 1 0 364.442 2.508 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001141026725 1036760868 /nfs/dbraw/zinc/76/08/68/1036760868.db2.gz ARSCELPHKWMMOH-HXUWFJFHSA-N 1 0 362.470 2.632 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c(OC)c1 ZINC001141029147 1036768513 /nfs/dbraw/zinc/76/85/13/1036768513.db2.gz KCJDPCOZRZOUNY-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2OC)Cc2ccccc21 ZINC001141030744 1036776490 /nfs/dbraw/zinc/77/64/90/1036776490.db2.gz JIUREUOAJIUKSA-INIZCTEOSA-N 1 0 357.406 2.682 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(OC)c1 ZINC001141032378 1036777939 /nfs/dbraw/zinc/77/79/39/1036777939.db2.gz ZVRHNFYCMSQMCV-ZBEGNZNMSA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3OC)C2)c(OC)c1 ZINC001141032906 1036778004 /nfs/dbraw/zinc/77/80/04/1036778004.db2.gz SAUQQWYLROPSCJ-CQSZACIVSA-N 1 0 374.437 2.856 20 10 FFCDRO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(CC)cc1O ZINC001277826794 1036885309 /nfs/dbraw/zinc/88/53/09/1036885309.db2.gz RRQZSXVRIBTLFC-NRFANRHFSA-N 1 0 360.498 2.948 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001277829549 1036908288 /nfs/dbraw/zinc/90/82/88/1036908288.db2.gz GHDGDZBPPPAZIM-OAHLLOKOSA-N 1 0 352.425 2.938 20 10 FFCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077423 1036926877 /nfs/dbraw/zinc/92/68/77/1036926877.db2.gz QFCJMKPDTGMWAN-GOSISDBHSA-N 1 0 366.509 2.860 20 10 FFCDRO c1c(CN2CCN(CC[NH+]3CCCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141077947 1036929173 /nfs/dbraw/zinc/92/91/73/1036929173.db2.gz GCFHDSJNILWHRS-UHFFFAOYSA-N 1 0 368.569 2.599 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ncc(C)cn4)CC3)c2c1 ZINC001234569435 1037094227 /nfs/dbraw/zinc/09/42/27/1037094227.db2.gz NPKOYZVCVOJOSE-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC001230199545 1037145006 /nfs/dbraw/zinc/14/50/06/1037145006.db2.gz BSKLOYFKTOZHAD-FFZOFVMBSA-N 1 0 358.530 2.870 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001277893350 1037182359 /nfs/dbraw/zinc/18/23/59/1037182359.db2.gz KBXJYQVJVDZILP-CVAIRZPRSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)cc1Br ZINC001235120916 1037372858 /nfs/dbraw/zinc/37/28/58/1037372858.db2.gz WCDBNFMYJOXWIH-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001235129998 1037377004 /nfs/dbraw/zinc/37/70/04/1037377004.db2.gz QHPFOOYUVKVBLG-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235231941 1037426937 /nfs/dbraw/zinc/42/69/37/1037426937.db2.gz QZWDRYPZLLCBIV-AAEUAGOBSA-N 1 0 354.294 2.995 20 10 FFCDRO C[C@]1(CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1O ZINC001231467917 1037614836 /nfs/dbraw/zinc/61/48/36/1037614836.db2.gz ODWXRDUVXUGXAB-NHCUHLMSSA-N 1 0 357.450 2.536 20 10 FFCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001235680413 1037680096 /nfs/dbraw/zinc/68/00/96/1037680096.db2.gz VBLINTAGACJLKT-GUDVDZBRSA-N 1 0 372.509 2.805 20 10 FFCDRO CNC(=O)CN1CCCC12CC[NH+](Cc1ccc(C(C)(C)C)cc1O)CC2 ZINC001235682118 1037680257 /nfs/dbraw/zinc/68/02/57/1037680257.db2.gz NBECCKMDUCKGLO-UHFFFAOYSA-N 1 0 373.541 2.866 20 10 FFCDRO CCn1nnc2c1CCN(Cc1c(O)ccc3ccccc31)[C@H]2COC ZINC001231586435 1037703734 /nfs/dbraw/zinc/70/37/34/1037703734.db2.gz HMZUDKRJKJQEJL-SFHVURJKSA-N 1 0 352.438 2.903 20 10 FFCDRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C)c2O)n1 ZINC001231591645 1037708661 /nfs/dbraw/zinc/70/86/61/1037708661.db2.gz HABVFNOUGCRLLN-RBUKOAKNSA-N 1 0 351.450 2.779 20 10 FFCDRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)c1O ZINC001231592369 1037713016 /nfs/dbraw/zinc/71/30/16/1037713016.db2.gz MIGLXQGENKEDLD-WIYYLYMNSA-N 1 0 360.498 2.986 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1O ZINC001231593854 1037715112 /nfs/dbraw/zinc/71/51/12/1037715112.db2.gz LXIDKWHNVDBFIU-RBUKOAKNSA-N 1 0 364.445 2.850 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)c(O)cc1O ZINC001231637585 1037759712 /nfs/dbraw/zinc/75/97/12/1037759712.db2.gz NJYHEFRRKNWPDV-OXJNMPFZSA-N 1 0 370.449 2.730 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C2COC2)C3)c(O)c1 ZINC001277976646 1037826904 /nfs/dbraw/zinc/82/69/04/1037826904.db2.gz RVUVSOFFLWLEPT-OAQYLSRUSA-N 1 0 358.482 2.871 20 10 FFCDRO CCN(Cc1cccc(I)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236010436 1037887827 /nfs/dbraw/zinc/88/78/27/1037887827.db2.gz RSFHNZXWWIVHCZ-GFCCVEGCSA-N 1 0 360.239 2.571 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001231841889 1037937408 /nfs/dbraw/zinc/93/74/08/1037937408.db2.gz FTGXDFNKBJXNTA-UHFFFAOYSA-N 1 0 362.470 2.831 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001231853364 1037950672 /nfs/dbraw/zinc/95/06/72/1037950672.db2.gz VYLWEGIRKCCPTE-NNZMDNLPSA-N 1 0 371.525 2.888 20 10 FFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)n1 ZINC001231857587 1037954293 /nfs/dbraw/zinc/95/42/93/1037954293.db2.gz KXRNHVCRPRNZKA-QGZVFWFLSA-N 1 0 357.454 2.818 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](O)C1 ZINC001231879528 1037975713 /nfs/dbraw/zinc/97/57/13/1037975713.db2.gz HDDOPWKRNKLGPU-QGZVFWFLSA-N 1 0 372.465 2.959 20 10 FFCDRO CC(C)=CCN1CCC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001276553544 1038014657 /nfs/dbraw/zinc/01/46/57/1038014657.db2.gz QNXQLWFZEXYFSY-UHFFFAOYSA-N 1 0 360.454 2.584 20 10 FFCDRO CCOC(=O)c1c(CN(CCOC)[C@@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236332311 1038049849 /nfs/dbraw/zinc/04/98/49/1038049849.db2.gz SFDKSZJZBPORAJ-MRXNPFEDSA-N 1 0 373.497 2.555 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3[C@H](C)CNCC3(F)F)CC2)cc1 ZINC001236433838 1038087449 /nfs/dbraw/zinc/08/74/49/1038087449.db2.gz MIEVKOVIJAWAIU-QAPCUYQASA-N 1 0 353.457 2.698 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)cc1OC ZINC001236751419 1038237504 /nfs/dbraw/zinc/23/75/04/1038237504.db2.gz OFJRLHBVTNOVBC-OAQYLSRUSA-N 1 0 374.481 2.634 20 10 FFCDRO COC(=O)c1ccc(C2C[NH+](Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC001236753851 1038240335 /nfs/dbraw/zinc/24/03/35/1038240335.db2.gz QRLJPXQRFBFMIR-UHFFFAOYSA-N 1 0 357.406 2.795 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)cc1OC ZINC001236756954 1038246079 /nfs/dbraw/zinc/24/60/79/1038246079.db2.gz YQCVXDOEKNLUKY-NRFANRHFSA-N 1 0 368.433 2.530 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001236792560 1038272675 /nfs/dbraw/zinc/27/26/75/1038272675.db2.gz NWEVQCZAESUHNK-HXUWFJFHSA-N 1 0 368.477 2.878 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@H](NC(=O)N3CCCC3)C2)c(Cl)c1 ZINC001236805018 1038279143 /nfs/dbraw/zinc/27/91/43/1038279143.db2.gz DIVAXPNVRTYBFG-CYBMUJFWSA-N 1 0 367.877 2.824 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001236815372 1038288091 /nfs/dbraw/zinc/28/80/91/1038288091.db2.gz KHXNOAZIQJADRY-KRWDZBQOSA-N 1 0 370.449 2.852 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC12CC2 ZINC001236926934 1038360079 /nfs/dbraw/zinc/36/00/79/1038360079.db2.gz PJVMNOOFFAPZAV-MRXNPFEDSA-N 1 0 364.873 2.562 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c(O)c1 ZINC001237046341 1038422459 /nfs/dbraw/zinc/42/24/59/1038422459.db2.gz MEXONQCVMHUMML-UHFFFAOYSA-N 1 0 354.406 2.848 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC001237073429 1038437072 /nfs/dbraw/zinc/43/70/72/1038437072.db2.gz RVCWHYYMGPRAKV-GFCCVEGCSA-N 1 0 355.276 2.833 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2([C@@H]3CCCCO3)CC2)[NH+](C)C)cc1 ZINC001256237029 1038445480 /nfs/dbraw/zinc/44/54/80/1038445480.db2.gz PHQMMPSKAIGOIY-MOPGFXCFSA-N 1 0 374.529 2.756 20 10 FFCDRO COCC[N@H+](Cc1c(O)cccc1OC(F)(F)F)C1CCN(C)CC1 ZINC001237111960 1038446462 /nfs/dbraw/zinc/44/64/62/1038446462.db2.gz WHEDJMJUGCFOBF-UHFFFAOYSA-N 1 0 362.392 2.833 20 10 FFCDRO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001257141723 1038722788 /nfs/dbraw/zinc/72/27/88/1038722788.db2.gz GDTOBDJOEDPVMM-BFUOFWGJSA-N 1 0 359.422 2.529 20 10 FFCDRO C[N@@H+]1CCC[C@]2(CCCN(Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001278623387 1038917042 /nfs/dbraw/zinc/91/70/42/1038917042.db2.gz ISGBWYNVLCNIAG-NRFANRHFSA-N 1 0 361.505 2.970 20 10 FFCDRO COC(=O)c1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001537484218 1070192639 /nfs/dbraw/zinc/19/26/39/1070192639.db2.gz VMZFGGWMUOPQKD-LJQANCHMSA-N 1 0 369.465 2.572 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3Cc4ccccc4CO3)cc2)CC1 ZINC001246301421 1039304632 /nfs/dbraw/zinc/30/46/32/1039304632.db2.gz GNGZKTBRQGHWQI-UHFFFAOYSA-N 1 0 366.465 2.595 20 10 FFCDRO CCOC[C@H](O)C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001252033246 1039412009 /nfs/dbraw/zinc/41/20/09/1039412009.db2.gz SHFBHVJNOINTFC-OAQYLSRUSA-N 1 0 370.493 2.785 20 10 FFCDRO CN(C1=CC[C@H]([NH+]2CCCC2)CC1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210714203 1039685469 /nfs/dbraw/zinc/68/54/69/1039685469.db2.gz MMQJXNYBAMQRPG-IBGZPJMESA-N 1 0 363.527 2.605 20 10 FFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001278687230 1039781298 /nfs/dbraw/zinc/78/12/98/1039781298.db2.gz LXFLUUUDLQDQLQ-FQEVSTJZSA-N 1 0 367.484 2.910 20 10 FFCDRO CC(C)[C@H](O)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001253768735 1040361670 /nfs/dbraw/zinc/36/16/70/1040361670.db2.gz PXBPJXVYSFMWFX-OAQYLSRUSA-N 1 0 355.482 2.800 20 10 FFCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC001253846104 1040407317 /nfs/dbraw/zinc/40/73/17/1040407317.db2.gz YVBVNLFALMRRMZ-OAHLLOKOSA-N 1 0 366.255 2.993 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c(O)c1 ZINC001249201380 1040625986 /nfs/dbraw/zinc/62/59/86/1040625986.db2.gz QPLFCIJOPHFTNF-SFHVURJKSA-N 1 0 359.397 2.900 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1O ZINC001249201573 1040626077 /nfs/dbraw/zinc/62/60/77/1040626077.db2.gz YSBPPNJLXYFBAG-UHFFFAOYSA-N 1 0 371.433 2.673 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)c(O)c1 ZINC001249208214 1040629583 /nfs/dbraw/zinc/62/95/83/1040629583.db2.gz QCQZZUFTVDIUSH-NRFANRHFSA-N 1 0 373.424 2.994 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3cccc(C)n3)CC2)c(O)c1 ZINC001249216605 1040631488 /nfs/dbraw/zinc/63/14/88/1040631488.db2.gz FPTCYVZXVFWKDM-UHFFFAOYSA-N 1 0 370.449 2.855 20 10 FFCDRO O=C(C[NH2+][C@H]1Cc2ccc(Br)cc2C1)c1ccc(O)c(O)c1 ZINC001254268575 1040650526 /nfs/dbraw/zinc/65/05/26/1040650526.db2.gz GAVSGSPFVFQGTF-AWEZNQCLSA-N 1 0 362.223 2.800 20 10 FFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249259390 1040654729 /nfs/dbraw/zinc/65/47/29/1040654729.db2.gz WHAYLLRLUPASST-UHFFFAOYSA-N 1 0 374.481 2.694 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC4(CCCC4)C3)cc2)CC1 ZINC001254716941 1040906066 /nfs/dbraw/zinc/90/60/66/1040906066.db2.gz YAEOCVGGEHOSKM-UHFFFAOYSA-N 1 0 356.514 2.914 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001249725627 1040962795 /nfs/dbraw/zinc/96/27/95/1040962795.db2.gz RKGBLOLVFBRURP-FQEVSTJZSA-N 1 0 363.454 2.869 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(O)c1 ZINC001249735321 1040967448 /nfs/dbraw/zinc/96/74/48/1040967448.db2.gz JJYZIGAYZQLBLO-HXUWFJFHSA-N 1 0 363.454 2.869 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC001249734223 1040968926 /nfs/dbraw/zinc/96/89/26/1040968926.db2.gz UWDZSXZSXLRUKV-UHFFFAOYSA-N 1 0 363.454 2.727 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001249744188 1040972207 /nfs/dbraw/zinc/97/22/07/1040972207.db2.gz VVHUXRWMCUIDDL-GOSISDBHSA-N 1 0 363.454 2.725 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](CCCO)C(C)C)c(O)c1 ZINC001249738716 1040974236 /nfs/dbraw/zinc/97/42/36/1040974236.db2.gz XVFOECUKDIEBMU-UHFFFAOYSA-N 1 0 353.459 2.707 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CC[N@H+](CC)[C@H](C)C2)c(O)c1 ZINC001249745822 1040975842 /nfs/dbraw/zinc/97/58/42/1040975842.db2.gz ZBAVEAIENUVXKL-MRXNPFEDSA-N 1 0 364.486 2.640 20 10 FFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254829950 1040991665 /nfs/dbraw/zinc/99/16/65/1040991665.db2.gz VCFZAZOJNLFTTA-INIZCTEOSA-N 1 0 362.470 2.993 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)cc1Br ZINC001250133141 1041124311 /nfs/dbraw/zinc/12/43/11/1041124311.db2.gz JLVPNYCEXBKMJC-UHFFFAOYSA-N 1 0 369.259 2.928 20 10 FFCDRO CCOc1cccc(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)c1O ZINC001278563362 1041182612 /nfs/dbraw/zinc/18/26/12/1041182612.db2.gz XLFHVLFICKEABP-UHFFFAOYSA-N 1 0 372.490 2.739 20 10 FFCDRO COc1ccc(C[NH+]2CC3(CN(C(=O)[C@@H]4C=CCC=C4C)C3)C2)c(O)c1 ZINC001278576087 1041236465 /nfs/dbraw/zinc/23/64/65/1041236465.db2.gz FWLCLELLGCAXMO-GOSISDBHSA-N 1 0 354.450 2.567 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c1O ZINC001278576372 1041237551 /nfs/dbraw/zinc/23/75/51/1041237551.db2.gz KXCDEENSQJJQJX-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC001261814058 1041432734 /nfs/dbraw/zinc/43/27/34/1041432734.db2.gz ODXUUCGCNHKUEZ-ICSRJNTNSA-N 1 0 367.484 2.888 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000179530809 1041474510 /nfs/dbraw/zinc/47/45/10/1041474510.db2.gz CKDLFAQRARDAOX-UHFFFAOYSA-N 1 0 367.493 2.854 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@]3(F)CCOC3)C2)cc1C ZINC001263916778 1042529985 /nfs/dbraw/zinc/52/99/85/1042529985.db2.gz GIASJYOSOHTDHO-QKLQHJQFSA-N 1 0 364.461 2.507 20 10 FFCDRO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001279221332 1042950408 /nfs/dbraw/zinc/95/04/08/1042950408.db2.gz SQRHRDPWJAOIIN-IRXDYDNUSA-N 1 0 358.463 2.577 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)c1O ZINC001279234190 1042957830 /nfs/dbraw/zinc/95/78/30/1042957830.db2.gz BQXYAXJHWUFQPC-UHFFFAOYSA-N 1 0 354.498 2.804 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3cccc(C)c3O)C[C@H]21 ZINC001279291048 1042986501 /nfs/dbraw/zinc/98/65/01/1042986501.db2.gz WXSJYKKLMKUOSX-SJORKVTESA-N 1 0 359.495 2.551 20 10 FFCDRO COc1cc(O)c(CN2CC3(C2)C[NH+](CCCC(F)(F)F)C3)c(OC)c1 ZINC001279350200 1043020402 /nfs/dbraw/zinc/02/04/02/1043020402.db2.gz BCQVSPIIGTVVIB-UHFFFAOYSA-N 1 0 374.403 2.870 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CCCCC1 ZINC001237208954 1043053335 /nfs/dbraw/zinc/05/33/35/1043053335.db2.gz FOSGPAPNHNGEIE-UHFFFAOYSA-N 1 0 350.528 2.934 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)c(O)c1 ZINC001279433598 1043108174 /nfs/dbraw/zinc/10/81/74/1043108174.db2.gz ZWLZKNPEJRDQSH-OALUTQOASA-N 1 0 353.466 2.958 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237410250 1043146279 /nfs/dbraw/zinc/14/62/79/1043146279.db2.gz CJKHEZNXJNEHJW-QAPCUYQASA-N 1 0 355.482 2.929 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415059 1043148948 /nfs/dbraw/zinc/14/89/48/1043148948.db2.gz MTDOALQOCSKANJ-BXUZGUMPSA-N 1 0 372.250 2.571 20 10 FFCDRO C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001279504346 1043198072 /nfs/dbraw/zinc/19/80/72/1043198072.db2.gz FLNDOZOUUNEAHT-UHFFFAOYSA-N 1 0 371.447 2.870 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c(OC)c1 ZINC001279558798 1043254412 /nfs/dbraw/zinc/25/44/12/1043254412.db2.gz UXWAGJAXEXLQPZ-NRFANRHFSA-N 1 0 361.530 2.838 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237671126 1043301715 /nfs/dbraw/zinc/30/17/15/1043301715.db2.gz YOGYFAVEHJFFMM-DJJJIMSYSA-N 1 0 364.442 2.508 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c(OC)c1 ZINC001237677141 1043305665 /nfs/dbraw/zinc/30/56/65/1043305665.db2.gz XMOCZHQSKOISOA-XLIONFOSSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c(OC)c1 ZINC001237677138 1043305805 /nfs/dbraw/zinc/30/58/05/1043305805.db2.gz XMOCZHQSKOISOA-PXNSSMCTSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c(O)c1 ZINC001279667264 1043433885 /nfs/dbraw/zinc/43/38/85/1043433885.db2.gz JDJCIOYXRPCSIX-UHFFFAOYSA-N 1 0 361.486 2.725 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)c1O ZINC001238061597 1043508774 /nfs/dbraw/zinc/50/87/74/1043508774.db2.gz PCUXGYKTROVNDV-GOSISDBHSA-N 1 0 370.490 2.620 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2cn[nH]c2)cc1C ZINC001279732733 1043549213 /nfs/dbraw/zinc/54/92/13/1043549213.db2.gz HTHQSOXHEHFRJB-LVFSCSRESA-N 1 0 354.454 2.870 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C2CC(F)(F)C2)cc1 ZINC001279743491 1043572024 /nfs/dbraw/zinc/57/20/24/1043572024.db2.gz LKKXWHUIAXKUCP-MGPUTAFESA-N 1 0 363.452 2.973 20 10 FFCDRO COc1ccc(N2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(OC)c1 ZINC001279758736 1043597327 /nfs/dbraw/zinc/59/73/27/1043597327.db2.gz LJNOIICHNYTTSQ-UHFFFAOYSA-N 1 0 356.470 2.503 20 10 FFCDRO c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ccc3c(c1)OCCO3)C2 ZINC001279764612 1043606911 /nfs/dbraw/zinc/60/69/11/1043606911.db2.gz DQOSBLYXYKGHNI-FQEVSTJZSA-N 1 0 354.454 2.673 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnc(C3CC3)nc2)[NH+](C)C)cc1 ZINC001310259763 1043659060 /nfs/dbraw/zinc/65/90/60/1043659060.db2.gz SQQFEJWQUAIFIF-SFHVURJKSA-N 1 0 368.485 2.844 20 10 FFCDRO Cc1noc(NC(=O)[C@@H]2CCSC23C[NH+](Cc2ccccc2O)C3)c1C ZINC001279967925 1044001909 /nfs/dbraw/zinc/00/19/09/1044001909.db2.gz BPDASPOVGDNZPZ-HNNXBMFYSA-N 1 0 373.478 2.943 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cc(Cl)ccc2O)C3)C[C@@H](C)O1 ZINC001279983862 1044035456 /nfs/dbraw/zinc/03/54/56/1044035456.db2.gz UGOXKAXPXDYXRJ-DZDCQFRTSA-N 1 0 364.873 2.503 20 10 FFCDRO C[C@@H]1[C@@H](NC(=O)NCc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001312816165 1044174940 /nfs/dbraw/zinc/17/49/40/1044174940.db2.gz OYGFGSFVEVUKHM-KDOFPFPSSA-N 1 0 357.429 2.994 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@H]3C(=O)N3CC(F)(C4CC4)C3)C2)c1O ZINC001280349627 1044639939 /nfs/dbraw/zinc/63/99/39/1044639939.db2.gz NZKOTEDOZCLABV-KRWDZBQOSA-N 1 0 358.457 2.791 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC001318717849 1044835412 /nfs/dbraw/zinc/83/54/12/1044835412.db2.gz NNIOJACVVNCMFA-PWIZWCRZSA-N 1 0 374.529 2.756 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)no1 ZINC001319706011 1045247573 /nfs/dbraw/zinc/24/75/73/1045247573.db2.gz QRZDKTGBYKOPJE-UHFFFAOYSA-N 1 0 368.481 2.978 20 10 FFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC001319728288 1045254687 /nfs/dbraw/zinc/25/46/87/1045254687.db2.gz GZWJLCGETJPTFZ-INIZCTEOSA-N 1 0 354.406 2.515 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCO[C@H]3C3CC3)cc2F)CC1 ZINC001320413565 1045403893 /nfs/dbraw/zinc/40/38/93/1045403893.db2.gz CMGUSLZYRVMVEI-LEWJYISDSA-N 1 0 361.505 2.872 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC001325357648 1046482522 /nfs/dbraw/zinc/48/25/22/1046482522.db2.gz VJMQKSRPINXIEQ-KFWWJZLASA-N 1 0 354.454 2.768 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CC3(O)CCC(F)(F)CC3)cc2F)CC1 ZINC001327210231 1047235851 /nfs/dbraw/zinc/23/58/51/1047235851.db2.gz NPWIFRYNPUIXTF-UHFFFAOYSA-N 1 0 371.447 2.608 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3ccccc3O2)[NH+](C)C)cc1 ZINC001289602483 1047708211 /nfs/dbraw/zinc/70/82/11/1047708211.db2.gz RZMLZPZBKDVBDG-TZIWHRDSSA-N 1 0 367.493 2.865 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CC(=O)[O-])c3ccccc3F)cc2)CC1 ZINC001332475123 1048409444 /nfs/dbraw/zinc/40/94/44/1048409444.db2.gz AQJSSVBLOJKHBC-FQEVSTJZSA-N 1 0 371.456 2.883 20 10 FFCDRO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccncc21 ZINC001331061874 1049457525 /nfs/dbraw/zinc/45/75/25/1049457525.db2.gz MOZUGCPPFYMFNF-JIPZTSHUSA-N 1 0 364.449 2.689 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)n1ccnc1 ZINC001340663472 1051036355 /nfs/dbraw/zinc/03/63/55/1051036355.db2.gz QSDVTPICCBNRFP-LLVKDONJSA-N 1 0 352.232 2.961 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2[C@H]2CCCO2)[NH+](C)C)cc1 ZINC001342706223 1051322817 /nfs/dbraw/zinc/32/28/17/1051322817.db2.gz AAYAQJCQCJHJRN-IAGOWNOFSA-N 1 0 372.469 2.625 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC2(C1)C[C@H]([NH3+])CCO2 ZINC001341344756 1051702243 /nfs/dbraw/zinc/70/22/43/1051702243.db2.gz RXMUJFSFKHQUPL-GSVIPDFHSA-N 1 0 371.525 2.922 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[NH2+]C[C@@H]3c3ccccc3)cc2F)CC1 ZINC001345103094 1052258911 /nfs/dbraw/zinc/25/89/11/1052258911.db2.gz BBMLDTPZELLBET-JOCHJYFZSA-N 1 0 368.500 2.724 20 10 FFCDRO c1ccc(-c2nnc(CC[NH2+]Cc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC001308339808 1052448084 /nfs/dbraw/zinc/44/80/84/1052448084.db2.gz LIEZLKFTFYPSFT-UHFFFAOYSA-N 1 0 364.449 2.906 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC001308433196 1052456383 /nfs/dbraw/zinc/45/63/83/1052456383.db2.gz HTQXUJULUHLHCN-IBGZPJMESA-N 1 0 358.482 2.992 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC001308752985 1052495130 /nfs/dbraw/zinc/49/51/30/1052495130.db2.gz GQKVONSUZPSMEC-YQQQUEKLSA-N 1 0 359.514 2.689 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c(O)c1 ZINC001308951406 1052524452 /nfs/dbraw/zinc/52/44/52/1052524452.db2.gz RXICXMQOCRBEGY-UHFFFAOYSA-N 1 0 368.437 2.613 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@]12CCCO2 ZINC001308972057 1052529068 /nfs/dbraw/zinc/52/90/68/1052529068.db2.gz MQEIVJRMDIBZPM-XRXFAXGQSA-N 1 0 361.530 2.672 20 10 FFCDRO C[N@@H+]1C[C@@]23CN(C(=O)c4ccc(N=NC(N)=O)cc4)C[C@]2(C1)CCCC3 ZINC001347643599 1054186395 /nfs/dbraw/zinc/18/63/95/1054186395.db2.gz ZFIREWCBLPZEJV-KDURUIRLSA-N 1 0 355.442 2.797 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001348428137 1054688218 /nfs/dbraw/zinc/68/82/18/1054688218.db2.gz LGAUAKVPTVFMBV-CQSZACIVSA-N 1 0 370.453 2.825 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(O)c1C ZINC001337784311 1055015328 /nfs/dbraw/zinc/01/53/28/1055015328.db2.gz ARMYZRPOFXBGDD-QKKBWIMNSA-N 1 0 367.449 2.914 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)C1 ZINC001352012688 1055119221 /nfs/dbraw/zinc/11/92/21/1055119221.db2.gz XILZWZHHMSVOHB-GOSISDBHSA-N 1 0 355.457 2.860 20 10 FFCDRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)Oc2ccccc21 ZINC001349403957 1055233554 /nfs/dbraw/zinc/23/35/54/1055233554.db2.gz QTDRGBCGBRTVMB-SFHVURJKSA-N 1 0 372.490 2.611 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)cc1 ZINC001352409462 1055448665 /nfs/dbraw/zinc/44/86/65/1055448665.db2.gz LJKAHULINNTPMX-QYRPDUKASA-N 1 0 371.525 2.616 20 10 FFCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001338793420 1055821618 /nfs/dbraw/zinc/82/16/18/1055821618.db2.gz PGJVCZTXNWKZQP-VQTJNVASSA-N 1 0 364.493 2.932 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])Cc2ccc3cc[nH]c3c2)cc1 ZINC001357488490 1055921133 /nfs/dbraw/zinc/92/11/33/1055921133.db2.gz ZVFPYUDOJKZNPG-IBGZPJMESA-N 1 0 350.466 2.762 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC001357488280 1055921482 /nfs/dbraw/zinc/92/14/82/1055921482.db2.gz XNRQDPSRPIBDCA-MISYRCLQSA-N 1 0 359.514 2.648 20 10 FFCDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000847532406 1056002018 /nfs/dbraw/zinc/00/20/18/1056002018.db2.gz OKQCBPTUBGTLII-CABCVRRESA-N 1 0 367.440 2.715 20 10 FFCDRO CC(C)c1nnsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001339035348 1056034367 /nfs/dbraw/zinc/03/43/67/1056034367.db2.gz AVZTUKUDCCZNAQ-OAHLLOKOSA-N 1 0 361.515 2.760 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC001353176057 1056153126 /nfs/dbraw/zinc/15/31/26/1056153126.db2.gz UVGZRIDKQAHFIJ-FQEVSTJZSA-N 1 0 370.522 2.922 20 10 FFCDRO Oc1cccc(Br)c1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001351328943 1056201117 /nfs/dbraw/zinc/20/11/17/1056201117.db2.gz GMLWTKNUSTXUAT-NVXWUHKLSA-N 1 0 369.303 2.622 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001353339485 1056312111 /nfs/dbraw/zinc/31/21/11/1056312111.db2.gz KNOQCCYHOAMCQT-OAQYLSRUSA-N 1 0 356.514 2.960 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001544998931 1071720902 /nfs/dbraw/zinc/72/09/02/1071720902.db2.gz XVJMYHWBUFNJED-MAUKXSAKSA-N 1 0 354.450 2.667 20 10 FFCDRO O[C@]1(CNCc2ccc3c(c2)CCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC001200702728 1059145634 /nfs/dbraw/zinc/14/56/34/1059145634.db2.gz FSUYJPNKHJKBBF-QFIPXVFZSA-N 1 0 352.478 2.738 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001452022642 1059172997 /nfs/dbraw/zinc/17/29/97/1059172997.db2.gz DJHGHTNYJMJOLL-ZWKOTPCHSA-N 1 0 359.514 2.758 20 10 FFCDRO Cn1cc(Cl)c(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC001515137623 1059376494 /nfs/dbraw/zinc/37/64/94/1059376494.db2.gz DRNBFCXNRDEAQT-SDQBBNPISA-N 1 0 372.947 2.863 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001454577719 1059572786 /nfs/dbraw/zinc/57/27/86/1059572786.db2.gz IFMJQZDMFBVHLX-QGZVFWFLSA-N 1 0 351.410 2.506 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848426904 1059989705 /nfs/dbraw/zinc/98/97/05/1059989705.db2.gz IIYRGMQHYCTOJD-VWPQPMDRSA-N 1 0 371.525 2.650 20 10 FFCDRO O=C(NCc1c(O)cccc1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001456233911 1060063612 /nfs/dbraw/zinc/06/36/12/1060063612.db2.gz GPTDKDAIYSQPQU-HNNXBMFYSA-N 1 0 358.413 2.765 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(C3CC3)[nH]c2=O)[NH+](C)C)cc1 ZINC001456938776 1060235072 /nfs/dbraw/zinc/23/50/72/1060235072.db2.gz YIXDGIQLJUKLGJ-IBGZPJMESA-N 1 0 368.481 2.763 20 10 FFCDRO CCCCO[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001460081220 1060891768 /nfs/dbraw/zinc/89/17/68/1060891768.db2.gz XAJRQRIPNMFCOG-RBUKOAKNSA-N 1 0 361.530 2.942 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1F ZINC001465930617 1063270207 /nfs/dbraw/zinc/27/02/07/1063270207.db2.gz YURXPZIGCGMVCC-CVEARBPZSA-N 1 0 363.477 2.603 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2CO)C1 ZINC001441092139 1063394992 /nfs/dbraw/zinc/39/49/92/1063394992.db2.gz BNJMKPCLYXVFPZ-QGZVFWFLSA-N 1 0 369.509 2.781 20 10 FFCDRO Cc1cc(CCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC001470969538 1064512487 /nfs/dbraw/zinc/51/24/87/1064512487.db2.gz XBZHNPIFAHWCSW-FPOVZHCZSA-N 1 0 366.509 2.982 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C3CCC3)cc2)CC1 ZINC001471189776 1064595946 /nfs/dbraw/zinc/59/59/46/1064595946.db2.gz AWOQRKHFTUROKU-FQEVSTJZSA-N 1 0 356.514 2.913 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1F ZINC001474241257 1065476419 /nfs/dbraw/zinc/47/64/19/1065476419.db2.gz XXNUUEYDHBCNOB-JCNLHEQBSA-N 1 0 362.470 2.986 20 10 FFCDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(Br)cc2O)CCCOC1 ZINC001474652815 1065571518 /nfs/dbraw/zinc/57/15/18/1065571518.db2.gz TYDBMTUIQZIRDP-MRXNPFEDSA-N 1 0 372.259 2.604 20 10 FFCDRO CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@H]2C[NH2+]C[C@@H]12 ZINC001577012458 1078294225 /nfs/dbraw/zinc/29/42/25/1078294225.db2.gz SEJTVDTUZLFCOF-LAVFITLUSA-N 1 0 369.513 2.989 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC001578424655 1078472881 /nfs/dbraw/zinc/47/28/81/1078472881.db2.gz QHTQTBVSXCXZDU-QGZVFWFLSA-N 1 0 350.422 2.837 20 10 FFCDRO C[NH2+]C[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001578668748 1078512561 /nfs/dbraw/zinc/51/25/61/1078512561.db2.gz BCJDWUGLQSZZFP-KRWDZBQOSA-N 1 0 370.545 2.870 20 10 FFCDRO COC(=O)c1c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2cc(F)ccc2n1C ZINC001578850320 1078534029 /nfs/dbraw/zinc/53/40/29/1078534029.db2.gz DNYXCWDNNLPLLS-XGWLTEMNSA-N 1 0 359.445 2.663 20 10 FFCDRO COc1ccc(O)c(CNc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)c1 ZINC001579230443 1078595225 /nfs/dbraw/zinc/59/52/25/1078595225.db2.gz MIBWLARLBVDOQY-KRWDZBQOSA-N 1 0 356.422 2.922 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC[NH2+]C2)nnc1N1CCCC1 ZINC001579617671 1078650967 /nfs/dbraw/zinc/65/09/67/1078650967.db2.gz UDKANQONROXPRM-QGZVFWFLSA-N 1 0 368.529 2.768 20 10 FFCDRO COC(=O)CN(CC[N@H+]1C[C@H](C)C[C@H](C)C1)Cc1cc(Cl)ccc1O ZINC001559607380 1076176763 /nfs/dbraw/zinc/17/67/63/1076176763.db2.gz JZFIWBBKWBQDIK-GASCZTMLSA-N 1 0 368.905 2.999 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1 ZINC001559945932 1076204970 /nfs/dbraw/zinc/20/49/70/1076204970.db2.gz GZEQYFRIMCFOSE-FQEVSTJZSA-N 1 0 363.571 2.782 20 10 FFCDRO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1ccccc1O)[nH]c2=O ZINC001560074673 1076221515 /nfs/dbraw/zinc/22/15/15/1076221515.db2.gz AYGLFKZFHXLINL-LLVKDONJSA-N 1 0 353.378 2.678 20 10 FFCDRO Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC001560561145 1076279386 /nfs/dbraw/zinc/27/93/86/1076279386.db2.gz DIAMGIPFYCAREO-NRFANRHFSA-N 1 0 352.478 2.921 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(Br)cc1O)N1CCc2ccccc21 ZINC001560991007 1076317114 /nfs/dbraw/zinc/31/71/14/1076317114.db2.gz ZNFFDUBORCOBPQ-UHFFFAOYSA-N 1 0 361.239 2.834 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001562661079 1076509967 /nfs/dbraw/zinc/50/99/67/1076509967.db2.gz LMLMIYFYIHUAGY-UHFFFAOYSA-N 1 0 369.425 2.668 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CS1 ZINC001564923470 1076670631 /nfs/dbraw/zinc/67/06/31/1076670631.db2.gz QBWBZAPWDJIRJA-KMFMINBZSA-N 1 0 350.532 2.549 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566007694 1076841507 /nfs/dbraw/zinc/84/15/07/1076841507.db2.gz HGRJVCSHVVUXLL-MOPGFXCFSA-N 1 0 365.477 2.823 20 10 FFCDRO COc1ccc(OC)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001586054816 1079535928 /nfs/dbraw/zinc/53/59/28/1079535928.db2.gz ODZURNKFJVPAAF-IBGZPJMESA-N 1 0 371.481 2.803 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Br)ccc1O ZINC000373250863 512240872 /nfs/dbraw/zinc/24/08/72/512240872.db2.gz ABEVKSVDPLDJRP-FPMFFAJLSA-N 1 0 355.276 2.669 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)NCc1cccnc1 ZINC000065935721 506397615 /nfs/dbraw/zinc/39/76/15/506397615.db2.gz NGNUSOOTJBIMMO-UHFFFAOYSA-N 1 0 352.482 2.868 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000090171197 507913420 /nfs/dbraw/zinc/91/34/20/507913420.db2.gz QLISZYJPSXPWDR-ZWKOTPCHSA-N 1 0 355.486 2.641 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000090231865 507916062 /nfs/dbraw/zinc/91/60/62/507916062.db2.gz KUHNTIUXYSTPPH-IBGZPJMESA-N 1 0 365.543 2.750 20 10 FFCDRO COc1cccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000091233334 507972180 /nfs/dbraw/zinc/97/21/80/507972180.db2.gz MNQZRJDTZVGPPI-UHFFFAOYSA-N 1 0 370.453 2.512 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1O ZINC000091686242 508002198 /nfs/dbraw/zinc/00/21/98/508002198.db2.gz YLSOFBBXGKXUEK-INIZCTEOSA-N 1 0 355.438 2.955 20 10 FFCDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000093141426 508124807 /nfs/dbraw/zinc/12/48/07/508124807.db2.gz DNHGONLBLZHTSI-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000157060504 508517508 /nfs/dbraw/zinc/51/75/08/508517508.db2.gz CDRSQUCVJCWRHW-CYBMUJFWSA-N 1 0 368.437 2.801 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000153483484 508587611 /nfs/dbraw/zinc/58/76/11/508587611.db2.gz JYRDTXBLFWWREX-FQEVSTJZSA-N 1 0 360.546 2.784 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000153483575 508587653 /nfs/dbraw/zinc/58/76/53/508587653.db2.gz JYRDTXBLFWWREX-HXUWFJFHSA-N 1 0 360.546 2.784 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000119311501 508770334 /nfs/dbraw/zinc/77/03/34/508770334.db2.gz FWKVXPNTJCIJJW-FKIZTMCRSA-N 1 0 371.525 2.631 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000154739922 508845847 /nfs/dbraw/zinc/84/58/47/508845847.db2.gz KBFYDFROHIHVPO-IBGZPJMESA-N 1 0 356.514 2.982 20 10 FFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159797679 508891804 /nfs/dbraw/zinc/89/18/04/508891804.db2.gz HTWWREUCYFYEBN-UHFFFAOYSA-N 1 0 350.459 2.538 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000161352936 509106052 /nfs/dbraw/zinc/10/60/52/509106052.db2.gz CQDDCJMXZRIKOS-UHFFFAOYSA-N 1 0 360.498 2.671 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1ccccc1)C1CC1)cc2=O ZINC000179103941 509266139 /nfs/dbraw/zinc/26/61/39/509266139.db2.gz SSOGWGYBKUAAFL-SFHVURJKSA-N 1 0 366.421 2.853 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c(O)c1O ZINC000182951454 509513238 /nfs/dbraw/zinc/51/32/38/509513238.db2.gz XPYIZCXWQVVOSC-UHFFFAOYSA-N 1 0 356.422 2.615 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176619344 509613719 /nfs/dbraw/zinc/61/37/19/509613719.db2.gz OSMBWJYBSXSVRY-UYAOXDASSA-N 1 0 374.529 2.537 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176619328 509614322 /nfs/dbraw/zinc/61/43/22/509614322.db2.gz OSMBWJYBSXSVRY-ICSRJNTNSA-N 1 0 374.529 2.537 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1O ZINC000183449058 509796480 /nfs/dbraw/zinc/79/64/80/509796480.db2.gz MOOHRCPZUPTBJN-QGZVFWFLSA-N 1 0 356.466 2.954 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000180381116 509894343 /nfs/dbraw/zinc/89/43/43/509894343.db2.gz XHPPSSFEGMCRHY-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(F)ccc1O ZINC000180667648 510044739 /nfs/dbraw/zinc/04/47/39/510044739.db2.gz IRNLDFWXFKEYQD-UHFFFAOYSA-N 1 0 366.458 2.649 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c(-n2cc(Cl)cn2)n1 ZINC000190302354 510052402 /nfs/dbraw/zinc/05/24/02/510052402.db2.gz FVEBPBLUTQDOBP-UHFFFAOYSA-N 1 0 372.812 2.953 20 10 FFCDRO CC1(C)C[N@@H+](C2(CNC(=O)Cc3ccc(N)cc3)CCCCC2)CCO1 ZINC000262678413 510364579 /nfs/dbraw/zinc/36/45/79/510364579.db2.gz UVDIRYKZAFURKQ-UHFFFAOYSA-N 1 0 359.514 2.741 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000184688147 510463523 /nfs/dbraw/zinc/46/35/23/510463523.db2.gz CPGGWWBPOZRZQB-AWEZNQCLSA-N 1 0 354.878 2.598 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(Br)cc1O ZINC000184917362 510583195 /nfs/dbraw/zinc/58/31/95/510583195.db2.gz SJNFWXSXVHUNQW-SNVBAGLBSA-N 1 0 353.216 2.828 20 10 FFCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000184979261 510613055 /nfs/dbraw/zinc/61/30/55/510613055.db2.gz NVSCZDMHZNEQHE-CQSZACIVSA-N 1 0 366.527 2.736 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cc(C)n(C)n3)CC2)cc1 ZINC000282227735 510893515 /nfs/dbraw/zinc/89/35/15/510893515.db2.gz PGRDOZJPCXVQCH-GOSISDBHSA-N 1 0 371.529 2.600 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000275401484 510898535 /nfs/dbraw/zinc/89/85/35/510898535.db2.gz ZWRMTCLUOQPMAO-HZMBPMFUSA-N 1 0 354.248 2.581 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278450914 510993857 /nfs/dbraw/zinc/99/38/57/510993857.db2.gz LKVMVFYRERUDCC-ZBFHGGJFSA-N 1 0 372.469 2.540 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278513790 510994959 /nfs/dbraw/zinc/99/49/59/510994959.db2.gz QGDJTDOWQDANNC-XJKSGUPXSA-N 1 0 360.410 2.953 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)ccc1OC ZINC000278493132 510995749 /nfs/dbraw/zinc/99/57/49/510995749.db2.gz LRLPFONKZYVIFC-SFHVURJKSA-N 1 0 358.486 2.724 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278705575 511004802 /nfs/dbraw/zinc/00/48/02/511004802.db2.gz JUIKOCLVYPDJHZ-HNNXBMFYSA-N 1 0 357.420 2.985 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278735662 511004967 /nfs/dbraw/zinc/00/49/67/511004967.db2.gz RMJBLQYSHHUAST-ZDUSSCGKSA-N 1 0 354.878 2.739 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1O ZINC000278779762 511007809 /nfs/dbraw/zinc/00/78/09/511007809.db2.gz VLRAFRUSKJSASE-AWEZNQCLSA-N 1 0 350.850 2.546 20 10 FFCDRO Oc1cccc2c1[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000297668796 511028078 /nfs/dbraw/zinc/02/80/78/511028078.db2.gz KXHODFJGTSOSIW-LJQANCHMSA-N 1 0 352.482 2.576 20 10 FFCDRO CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(Cl)c1[O-] ZINC000287308442 511046840 /nfs/dbraw/zinc/04/68/40/511046840.db2.gz CVWAHQIHHLHERP-OAHLLOKOSA-N 1 0 360.907 2.758 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288364909 511073061 /nfs/dbraw/zinc/07/30/61/511073061.db2.gz KVRLOQWKCIJFCA-OAQYLSRUSA-N 1 0 352.434 2.836 20 10 FFCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000271142299 511094779 /nfs/dbraw/zinc/09/47/79/511094779.db2.gz SLSBTQWTMFZUEL-SFHVURJKSA-N 1 0 359.514 2.604 20 10 FFCDRO CCOc1cccc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000289224127 511095768 /nfs/dbraw/zinc/09/57/68/511095768.db2.gz AIOUCBSKKOOAGR-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000289970952 511123004 /nfs/dbraw/zinc/12/30/04/511123004.db2.gz ZEMLUUOFJQKOEO-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])(N2CCOCC2)C1 ZINC000294844988 511196848 /nfs/dbraw/zinc/19/68/48/511196848.db2.gz ZLQFYPJUVHIPSP-UHFFFAOYSA-N 1 0 372.868 2.544 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)c1ccccc1)cc2=O ZINC000271637967 511271163 /nfs/dbraw/zinc/27/11/63/511271163.db2.gz GPGOHSNSLGWPBY-INIZCTEOSA-N 1 0 354.410 2.853 20 10 FFCDRO CCOCc1cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)ccc1OC ZINC000295135171 511295113 /nfs/dbraw/zinc/29/51/13/511295113.db2.gz PCGWRDNTXPWOOC-UHFFFAOYSA-N 1 0 369.527 2.925 20 10 FFCDRO O=C(CCc1ccncn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365186915 511306867 /nfs/dbraw/zinc/30/68/67/511306867.db2.gz ZDDKJNALCHKZCF-QGZVFWFLSA-N 1 0 374.872 2.549 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c(O)c1 ZINC000273384831 511523795 /nfs/dbraw/zinc/52/37/95/511523795.db2.gz JCGQFELCMZQOAU-KRWDZBQOSA-N 1 0 367.493 2.939 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000273413769 511525163 /nfs/dbraw/zinc/52/51/63/511525163.db2.gz QGVITPHCIOCLTC-OAHLLOKOSA-N 1 0 370.449 2.724 20 10 FFCDRO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000295899810 511549877 /nfs/dbraw/zinc/54/98/77/511549877.db2.gz FCHDNZCKPVSIKB-UZLBHIALSA-N 1 0 360.498 2.933 20 10 FFCDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000280760337 511591753 /nfs/dbraw/zinc/59/17/53/511591753.db2.gz QNOLXOIMAFTKOO-OAQYLSRUSA-N 1 0 367.493 2.520 20 10 FFCDRO COCCOC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000296291424 511687650 /nfs/dbraw/zinc/68/76/50/511687650.db2.gz LVARHNGASLFJRE-XLIONFOSSA-N 1 0 359.466 2.979 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000284363231 511698545 /nfs/dbraw/zinc/69/85/45/511698545.db2.gz NDILICIDNLMAET-NVBFEUDRSA-N 1 0 360.292 2.963 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](SC)[C@H](N(C)C)C3)cc2)CC1 ZINC000296327960 511702100 /nfs/dbraw/zinc/70/21/00/511702100.db2.gz PAWUVSRTVSWGNH-WOJBJXKFSA-N 1 0 363.571 2.779 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000296508968 511773431 /nfs/dbraw/zinc/77/34/31/511773431.db2.gz JZSKNWJBAFWISA-HNNXBMFYSA-N 1 0 366.458 2.516 20 10 FFCDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000377797877 512454827 /nfs/dbraw/zinc/45/48/27/512454827.db2.gz AXIAFOBGKKSXNU-CEXWTWQISA-N 1 0 358.482 2.536 20 10 FFCDRO COc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371848258 512601136 /nfs/dbraw/zinc/60/11/36/512601136.db2.gz YNVKNMGWYUUFHV-ARFHVFGLSA-N 1 0 354.878 2.738 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1OC ZINC000378441252 512760656 /nfs/dbraw/zinc/76/06/56/512760656.db2.gz HVGFGEBMIWDGRM-CYBMUJFWSA-N 1 0 358.442 2.785 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000374428745 512829393 /nfs/dbraw/zinc/82/93/93/512829393.db2.gz MSKLHMWGHNHZTF-BPQIPLTHSA-N 1 0 366.889 2.932 20 10 FFCDRO O=C(C[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370809911 513107336 /nfs/dbraw/zinc/10/73/36/513107336.db2.gz KVCVNYCZUFBQNT-BBRMVZONSA-N 1 0 352.862 2.553 20 10 FFCDRO COCCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435538404 513612573 /nfs/dbraw/zinc/61/25/73/513612573.db2.gz VJEZICRPXZYJCO-UHFFFAOYSA-N 1 0 357.498 2.903 20 10 FFCDRO CC[NH+](CC)CCN(CCOC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472231834 515179212 /nfs/dbraw/zinc/17/92/12/515179212.db2.gz KXZCKDURWLHEBK-UHFFFAOYSA-N 1 0 374.529 2.987 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC1 ZINC000529678168 517278268 /nfs/dbraw/zinc/27/82/68/517278268.db2.gz KZDTXNHEYFVQCG-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cc[nH]n2)C1 ZINC000559602825 517336521 /nfs/dbraw/zinc/33/65/21/517336521.db2.gz NIFHEFXLTQMLLO-UHFFFAOYSA-N 1 0 365.481 2.790 20 10 FFCDRO CCOc1ccc(O)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000527765285 517900340 /nfs/dbraw/zinc/90/03/40/517900340.db2.gz UQVRNHVEGILONP-UHFFFAOYSA-N 1 0 357.454 2.694 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738395907 598275162 /nfs/dbraw/zinc/27/51/62/598275162.db2.gz AMODCZNFVKMSOE-UHFFFAOYSA-N 1 0 360.215 2.625 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000156914776 728861916 /nfs/dbraw/zinc/86/19/16/728861916.db2.gz SDMFZHRUXRFWLJ-KRWDZBQOSA-N 1 0 367.559 2.999 20 10 FFCDRO O=S(=O)(Nc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1)C1CC1 ZINC000898291998 735338297 /nfs/dbraw/zinc/33/82/97/735338297.db2.gz USGCIRNXJLITCR-UHFFFAOYSA-N 1 0 350.415 2.725 20 10 FFCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000092303364 728466439 /nfs/dbraw/zinc/46/64/39/728466439.db2.gz XTLYCXVCGPRTRE-HNNXBMFYSA-N 1 0 354.516 2.512 20 10 FFCDRO COC(=O)CC[N@H+](Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000093734561 728477404 /nfs/dbraw/zinc/47/74/04/728477404.db2.gz SOBRDEOEAUXCDW-UHFFFAOYSA-N 1 0 372.259 2.699 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1nccs1 ZINC000112536827 728546380 /nfs/dbraw/zinc/54/63/80/728546380.db2.gz JUVZJMQBIBHCFN-KBPBESRZSA-N 1 0 360.483 2.658 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119489535 728595340 /nfs/dbraw/zinc/59/53/40/728595340.db2.gz DVVITCBOFCEGHN-CYBMUJFWSA-N 1 0 364.467 2.631 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119489385 728595390 /nfs/dbraw/zinc/59/53/90/728595390.db2.gz DVVITCBOFCEGHN-ZDUSSCGKSA-N 1 0 364.467 2.631 20 10 FFCDRO CCS(=O)(=O)NC1CC[NH+](Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000123724975 728662160 /nfs/dbraw/zinc/66/21/60/728662160.db2.gz WYEAPCFHDDCJBS-UHFFFAOYSA-N 1 0 354.516 2.728 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000125130274 728678928 /nfs/dbraw/zinc/67/89/28/728678928.db2.gz YVMFZEYGKJECLF-OAHLLOKOSA-N 1 0 353.532 2.607 20 10 FFCDRO CC[C@H](SC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000130044760 728714707 /nfs/dbraw/zinc/71/47/07/728714707.db2.gz OOKWGXYJADAGRA-KRWDZBQOSA-N 1 0 353.507 2.725 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCSCC1 ZINC000779025172 738430552 /nfs/dbraw/zinc/43/05/52/738430552.db2.gz RKQXQJYUTPYENS-OAHLLOKOSA-N 1 0 368.568 2.543 20 10 FFCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccccc1Br ZINC000262062627 729658371 /nfs/dbraw/zinc/65/83/71/729658371.db2.gz ZHFZSCUSMNBVDY-UHFFFAOYSA-N 1 0 362.271 2.806 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000262521741 729667721 /nfs/dbraw/zinc/66/77/21/729667721.db2.gz IRFLTMAUXUGRQK-JTQLQIEISA-N 1 0 350.260 2.934 20 10 FFCDRO C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C[NH+]1CCCC1 ZINC000761097705 736695741 /nfs/dbraw/zinc/69/57/41/736695741.db2.gz OSHPCHJBVUXUOR-CYBMUJFWSA-N 1 0 365.861 2.542 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1F ZINC000858100658 730416576 /nfs/dbraw/zinc/41/65/76/730416576.db2.gz LRZBUKAEFMMQBG-UHFFFAOYSA-N 1 0 368.449 2.865 20 10 FFCDRO COc1ncc(Br)cc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858248896 730420860 /nfs/dbraw/zinc/42/08/60/730420860.db2.gz FCGFWFZAAOAWJB-UHFFFAOYSA-N 1 0 367.199 2.577 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(Cl)c1 ZINC000858306960 730422298 /nfs/dbraw/zinc/42/22/98/730422298.db2.gz XCRZVVADFKPSFV-MRXNPFEDSA-N 1 0 361.873 2.740 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1c(O)cccc1Br)C[C@@H]1CCCO1 ZINC000862247317 730681367 /nfs/dbraw/zinc/68/13/67/730681367.db2.gz ZYDWAQYYACYMBT-LBPRGKRZSA-N 1 0 372.259 2.699 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C(F)(F)F)c1 ZINC000862519082 730706123 /nfs/dbraw/zinc/70/61/23/730706123.db2.gz RFVNCNGFIAJWDD-CALCHBBNSA-N 1 0 360.420 2.584 20 10 FFCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000863340646 730770876 /nfs/dbraw/zinc/77/08/76/730770876.db2.gz MOBIVFAOWHPRPG-OAHLLOKOSA-N 1 0 354.516 2.585 20 10 FFCDRO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000863544044 730789837 /nfs/dbraw/zinc/78/98/37/730789837.db2.gz JJSUWLPGMNWTRX-VIFPVBQESA-N 1 0 351.672 2.695 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000865712198 730988386 /nfs/dbraw/zinc/98/83/86/730988386.db2.gz XQPJPTJXBDGUNP-HOTGVXAUSA-N 1 0 364.383 2.700 20 10 FFCDRO C[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000925781707 738529343 /nfs/dbraw/zinc/52/93/43/738529343.db2.gz ZTGNVJVZWFESPA-HIFRSBDPSA-N 1 0 357.420 2.558 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1C ZINC000876942895 732300531 /nfs/dbraw/zinc/30/05/31/732300531.db2.gz ICTRJTKLVPOQKM-UHFFFAOYSA-N 1 0 359.495 2.953 20 10 FFCDRO Cc1cc(C(=O)NC2(C[NH3+])CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000877044722 732316821 /nfs/dbraw/zinc/31/68/21/732316821.db2.gz FWVQJDUNPLDZAA-UHFFFAOYSA-N 1 0 361.873 2.985 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)C1 ZINC000877146851 732328267 /nfs/dbraw/zinc/32/82/67/732328267.db2.gz WDTASVATMJUUKX-KGLIPLIRSA-N 1 0 356.297 2.672 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CN3CCC2CC3)c1O ZINC000877706731 732416913 /nfs/dbraw/zinc/41/69/13/732416913.db2.gz QZCYLDWMMPWJEP-AWEZNQCLSA-N 1 0 355.276 2.689 20 10 FFCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558569 738629996 /nfs/dbraw/zinc/62/99/96/738629996.db2.gz GRHCOTRFPZTLSC-YJBOKZPZSA-N 1 0 354.441 2.952 20 10 FFCDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Br)ccc3O)O2)CO1 ZINC000886334628 733775142 /nfs/dbraw/zinc/77/51/42/733775142.db2.gz ZCMDSERGCHQWAY-DIOULYMOSA-N 1 0 356.260 2.971 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000886670627 733814933 /nfs/dbraw/zinc/81/49/33/733814933.db2.gz SSRJHVQWIUMZTQ-DRZSPHRISA-N 1 0 374.275 2.744 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000725849526 734396590 /nfs/dbraw/zinc/39/65/90/734396590.db2.gz PNNTWQYVEBQFIN-GFCCVEGCSA-N 1 0 350.440 2.623 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2CC3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC000891248580 734404477 /nfs/dbraw/zinc/40/44/77/734404477.db2.gz ZEOMMDWYWKTGFJ-HQVVEAJESA-N 1 0 351.441 2.907 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000783700525 738827304 /nfs/dbraw/zinc/82/73/04/738827304.db2.gz GQHSRPHASAVANF-CYBMUJFWSA-N 1 0 371.319 2.740 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC(C)C)cc2F)CC1 ZINC000730111757 734616545 /nfs/dbraw/zinc/61/65/45/734616545.db2.gz MSFQCVJYBXONDC-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO Cc1nnc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000893225857 734671088 /nfs/dbraw/zinc/67/10/88/734671088.db2.gz PATJCTHHAIDISA-UHFFFAOYSA-N 1 0 357.527 2.668 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894432882 734857340 /nfs/dbraw/zinc/85/73/40/734857340.db2.gz VXBWDUCKYIFLPJ-QWHCGFSZSA-N 1 0 360.223 2.878 20 10 FFCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)NC(=O)OC(C)(C)C ZINC000894689035 734900869 /nfs/dbraw/zinc/90/08/69/734900869.db2.gz GCRHGBRTOZORAH-CYBMUJFWSA-N 1 0 354.447 2.802 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCO[C@H]2CCCCO2)c1O ZINC000894797975 734918839 /nfs/dbraw/zinc/91/88/39/734918839.db2.gz BLMRRPORDALUDA-AWEZNQCLSA-N 1 0 360.248 2.796 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000895815047 735059033 /nfs/dbraw/zinc/05/90/33/735059033.db2.gz YBYLYZBJRIXRTP-CQSZACIVSA-N 1 0 356.297 2.672 20 10 FFCDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000895837279 735061854 /nfs/dbraw/zinc/06/18/54/735061854.db2.gz KLEMYTOSNGJOAW-LBPRGKRZSA-N 1 0 354.166 2.901 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000896461665 735165606 /nfs/dbraw/zinc/16/56/06/735165606.db2.gz PVYHYFHQFSKDTK-QGZVFWFLSA-N 1 0 354.834 2.765 20 10 FFCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370897 735234733 /nfs/dbraw/zinc/23/47/33/735234733.db2.gz ULXINOZROJFZHV-AEFFLSMTSA-N 1 0 350.528 2.980 20 10 FFCDRO OCc1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000742371163 735234823 /nfs/dbraw/zinc/23/48/23/735234823.db2.gz IWOBHUDDBOCXKN-HNNXBMFYSA-N 1 0 350.846 2.885 20 10 FFCDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(OC)c(C)cc3O)C2)s1 ZINC000902437442 735945971 /nfs/dbraw/zinc/94/59/71/735945971.db2.gz IEOKMYXCDLMTPJ-LBPRGKRZSA-N 1 0 362.451 2.942 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1O ZINC000903212310 736055954 /nfs/dbraw/zinc/05/59/54/736055954.db2.gz WKGQEGJUXSQQJF-QWRGUYRKSA-N 1 0 371.275 2.682 20 10 FFCDRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903327275 736076749 /nfs/dbraw/zinc/07/67/49/736076749.db2.gz ZBPBUQQSIKHFBZ-STQMWFEESA-N 1 0 374.238 2.690 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000753568048 736078615 /nfs/dbraw/zinc/07/86/15/736078615.db2.gz KQLZPLJLSKMOHO-CYBMUJFWSA-N 1 0 362.289 2.520 20 10 FFCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000903369664 736083749 /nfs/dbraw/zinc/08/37/49/736083749.db2.gz ZHWPHBUERVJEMO-QFBILLFUSA-N 1 0 366.527 2.531 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)ccc1O ZINC000903419909 736089824 /nfs/dbraw/zinc/08/98/24/736089824.db2.gz JEIRVXBUNQAQFL-SNVBAGLBSA-N 1 0 352.232 2.732 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000903423870 736090873 /nfs/dbraw/zinc/09/08/73/736090873.db2.gz ZWQXIIDOCKYONQ-HNNXBMFYSA-N 1 0 361.511 2.999 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000754643208 736182470 /nfs/dbraw/zinc/18/24/70/736182470.db2.gz QXOVMSDNDZMRLM-SFHVURJKSA-N 1 0 367.559 2.636 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CC1(O)CCCCC1 ZINC000905051792 736289147 /nfs/dbraw/zinc/28/91/47/736289147.db2.gz HRFJKQCIQJNMEV-IBGZPJMESA-N 1 0 364.555 2.776 20 10 FFCDRO C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756779224 736360897 /nfs/dbraw/zinc/36/08/97/736360897.db2.gz RMGIJFZXJCORHS-LBPRGKRZSA-N 1 0 351.397 2.857 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000758503127 736495349 /nfs/dbraw/zinc/49/53/49/736495349.db2.gz CLKTYLFSDRPWIY-UHFFFAOYSA-N 1 0 363.479 2.719 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000760017170 736610659 /nfs/dbraw/zinc/61/06/59/736610659.db2.gz NFSIPSSWAICXGY-CYBMUJFWSA-N 1 0 367.442 2.802 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1cccc(Br)c1)OCO2 ZINC000800287827 740508293 /nfs/dbraw/zinc/50/82/93/740508293.db2.gz ABWZHIAGLRGSOB-AWEZNQCLSA-N 1 0 366.211 2.707 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)NCc1cccc(Br)c1O ZINC000765447159 737120146 /nfs/dbraw/zinc/12/01/46/737120146.db2.gz QLEVBWLGDXCFTA-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000768596311 737438248 /nfs/dbraw/zinc/43/82/48/737438248.db2.gz FZQYHQKDFDZHSZ-WMZOPIPTSA-N 1 0 350.528 2.837 20 10 FFCDRO Cc1csc([C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000918852463 737829513 /nfs/dbraw/zinc/82/95/13/737829513.db2.gz OOSNEXWXBNTGLD-HNNXBMFYSA-N 1 0 358.511 2.623 20 10 FFCDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000773065716 737867857 /nfs/dbraw/zinc/86/78/57/737867857.db2.gz QEHAHKXBNKFCEW-QIPPXTIRSA-N 1 0 358.935 2.984 20 10 FFCDRO CCNC(=O)C[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000921028908 737940750 /nfs/dbraw/zinc/94/07/50/737940750.db2.gz MAUCSSLPBOIEQM-UHFFFAOYSA-N 1 0 351.244 2.876 20 10 FFCDRO Cc1cc(C)c(O)c(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000774658174 738011364 /nfs/dbraw/zinc/01/13/64/738011364.db2.gz RDMBNRJFKWYBAO-INIZCTEOSA-N 1 0 350.459 2.735 20 10 FFCDRO CC[NH+](CC)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774834143 738031204 /nfs/dbraw/zinc/03/12/04/738031204.db2.gz BWCJPGQXBDVBDY-UHFFFAOYSA-N 1 0 351.447 2.863 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)ccc1O ZINC000775503289 738097888 /nfs/dbraw/zinc/09/78/88/738097888.db2.gz FOAMFATURDLGRD-INIZCTEOSA-N 1 0 353.894 2.639 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000775501194 738097895 /nfs/dbraw/zinc/09/78/95/738097895.db2.gz CMRFRLSYHWZJNJ-WFASDCNBSA-N 1 0 357.292 2.916 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1O ZINC000775710531 738115724 /nfs/dbraw/zinc/11/57/24/738115724.db2.gz LJHCYEOPTRUSPX-UHFFFAOYSA-N 1 0 359.857 2.775 20 10 FFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000776868121 738240007 /nfs/dbraw/zinc/24/00/07/738240007.db2.gz GWGWYOVYVCQJJT-SGIREYDYSA-N 1 0 374.275 2.626 20 10 FFCDRO COCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000786409340 739046904 /nfs/dbraw/zinc/04/69/04/739046904.db2.gz MQJAXEAUVFFKRQ-MRXNPFEDSA-N 1 0 366.889 2.943 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOCC1 ZINC000787449950 739137915 /nfs/dbraw/zinc/13/79/15/739137915.db2.gz NDDVUGKFMGTSTA-PBHICJAKSA-N 1 0 366.889 2.943 20 10 FFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787729552 739163353 /nfs/dbraw/zinc/16/33/53/739163353.db2.gz JCPSPBVWIYBOPE-QFBILLFUSA-N 1 0 350.459 2.584 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000788375730 739239236 /nfs/dbraw/zinc/23/92/36/739239236.db2.gz BIFNVKQLGMOBDP-HNNXBMFYSA-N 1 0 350.503 2.851 20 10 FFCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793604465 739798718 /nfs/dbraw/zinc/79/87/18/739798718.db2.gz LCZYXHZXBVNWHN-UHFFFAOYSA-N 1 0 350.415 2.562 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793694831 739805733 /nfs/dbraw/zinc/80/57/33/739805733.db2.gz HFWOCFZTYMLRQM-CYBMUJFWSA-N 1 0 355.500 2.565 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000796482158 740146860 /nfs/dbraw/zinc/14/68/60/740146860.db2.gz JWYGDWGYOFBWCW-PKOBYXMFSA-N 1 0 367.559 2.730 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000796529154 740150044 /nfs/dbraw/zinc/15/00/44/740150044.db2.gz MFVPFPQYXRMZGS-STQMWFEESA-N 1 0 361.515 2.919 20 10 FFCDRO CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O ZINC000798000189 740298433 /nfs/dbraw/zinc/29/84/33/740298433.db2.gz ZSKCUBKIOPDSEK-QGZVFWFLSA-N 1 0 366.458 2.893 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805224830 740950950 /nfs/dbraw/zinc/95/09/50/740950950.db2.gz YXSXWBOOUMHPRF-ZIAGYGMSSA-N 1 0 370.291 2.827 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000808445363 741226498 /nfs/dbraw/zinc/22/64/98/741226498.db2.gz VZJHYYGMDXEGRP-RCBQFDQVSA-N 1 0 367.287 2.891 20 10 FFCDRO CN(CCS(C)(=O)=O)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809547478 741313095 /nfs/dbraw/zinc/31/30/95/741313095.db2.gz NVZCXLCVLJAOHC-UHFFFAOYSA-N 1 0 358.507 2.726 20 10 FFCDRO COCC[C@H](COC)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810174566 741394922 /nfs/dbraw/zinc/39/49/22/741394922.db2.gz VXDYYLCUCGRXHC-MRXNPFEDSA-N 1 0 351.447 2.726 20 10 FFCDRO C[C@](O)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000813488708 741724703 /nfs/dbraw/zinc/72/47/03/741724703.db2.gz CSGXADZZBPKPRN-QFBILLFUSA-N 1 0 366.889 2.677 20 10 FFCDRO CCn1ccnc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000813488745 741724730 /nfs/dbraw/zinc/72/47/30/741724730.db2.gz DPYMCBCEYYPXAJ-OAHLLOKOSA-N 1 0 362.861 2.656 20 10 FFCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000814301616 741810638 /nfs/dbraw/zinc/81/06/38/741810638.db2.gz YOMFPDGMIXOTCW-NSHDSACASA-N 1 0 373.291 2.805 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816667772 742052064 /nfs/dbraw/zinc/05/20/64/742052064.db2.gz WGPFCZRQKRUFOD-DLBZAZTESA-N 1 0 370.287 2.873 20 10 FFCDRO C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000817888981 742221042 /nfs/dbraw/zinc/22/10/42/742221042.db2.gz QNXMHLPDUYUASP-DYVFJYSZSA-N 1 0 357.420 2.772 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(C)nc3C(F)F)C2)cc1 ZINC000818221900 742251213 /nfs/dbraw/zinc/25/12/13/742251213.db2.gz OXHNBCSMPBAUJR-CYBMUJFWSA-N 1 0 350.413 2.982 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCCS(C)(=O)=O)c1O ZINC000818351357 742266131 /nfs/dbraw/zinc/26/61/31/742266131.db2.gz RFYMWJGPWNJKNC-NSHDSACASA-N 1 0 364.305 2.939 20 10 FFCDRO CN1CCCc2cc(C[NH2+]CCS(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000818985222 742320748 /nfs/dbraw/zinc/32/07/48/742320748.db2.gz OPQQZBOADDPDQK-UHFFFAOYSA-N 1 0 362.470 2.772 20 10 FFCDRO CC[N@H+](Cc1cnc(N(C)C)n1C)Cc1cc(Br)ccc1O ZINC000822448252 742734900 /nfs/dbraw/zinc/73/49/00/742734900.db2.gz XJDDZWTVNSHBDK-UHFFFAOYSA-N 1 0 367.291 2.976 20 10 FFCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823846797 742989399 /nfs/dbraw/zinc/98/93/99/742989399.db2.gz ISNJLFHIELYLKE-CQSZACIVSA-N 1 0 352.525 2.907 20 10 FFCDRO CCn1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855381 742990501 /nfs/dbraw/zinc/99/05/01/742990501.db2.gz QOIOHOFSKGNAGK-MRXNPFEDSA-N 1 0 363.893 2.720 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1Cl ZINC000824837013 743160354 /nfs/dbraw/zinc/16/03/54/743160354.db2.gz ROAPIOQSDUJPII-UHFFFAOYSA-N 1 0 359.857 2.775 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000825144160 743218065 /nfs/dbraw/zinc/21/80/65/743218065.db2.gz LMJHBPJVYCUDQF-CYBMUJFWSA-N 1 0 365.813 2.612 20 10 FFCDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1O ZINC000825697624 743313283 /nfs/dbraw/zinc/31/32/83/743313283.db2.gz IBYDUFWUUUASKK-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1c(F)ccc(O)c1O ZINC000825810014 743329453 /nfs/dbraw/zinc/32/94/53/743329453.db2.gz FRHHRCOIOPUEAT-UHFFFAOYSA-N 1 0 368.474 2.718 20 10 FFCDRO O=C([C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1)N1CCCC1 ZINC000825939717 743346425 /nfs/dbraw/zinc/34/64/25/743346425.db2.gz GPWNOWZYMPZCAM-CYBMUJFWSA-N 1 0 353.260 2.599 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827133343 743516050 /nfs/dbraw/zinc/51/60/50/743516050.db2.gz SYQCQWJMIPNZOM-FZMZJTMJSA-N 1 0 353.260 2.564 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515474 743592123 /nfs/dbraw/zinc/59/21/23/743592123.db2.gz IYUAVOFLQKYXDI-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO [NH3+][C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000830665500 745401520 /nfs/dbraw/zinc/40/15/20/745401520.db2.gz YIMHIEVDUPEYNN-BBRMVZONSA-N 1 0 353.413 2.500 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000830798630 745432135 /nfs/dbraw/zinc/43/21/35/745432135.db2.gz QVJZOYPFRCZCAV-RYUDHWBXSA-N 1 0 355.276 2.891 20 10 FFCDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274783 745669700 /nfs/dbraw/zinc/66/97/00/745669700.db2.gz YGEPQFCROJBTGI-CQSZACIVSA-N 1 0 363.893 2.693 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000832293321 745673700 /nfs/dbraw/zinc/67/37/00/745673700.db2.gz UZRQKQOFNSKHPU-CQSZACIVSA-N 1 0 352.360 2.596 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1O ZINC000834851265 745914546 /nfs/dbraw/zinc/91/45/46/745914546.db2.gz WBIKJKSNVZJIMZ-JSGCOSHPSA-N 1 0 357.292 2.652 20 10 FFCDRO C[N@H+](CCCCNC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000836687283 746284593 /nfs/dbraw/zinc/28/45/93/746284593.db2.gz QSDCJVVXJVKIEA-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO CNC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838916456 746736647 /nfs/dbraw/zinc/73/66/47/746736647.db2.gz RNVARRDAINDTOS-UHFFFAOYSA-N 1 0 354.292 2.665 20 10 FFCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838944848 746742868 /nfs/dbraw/zinc/74/28/68/746742868.db2.gz LFGOZLIEFIOSNM-KRWDZBQOSA-N 1 0 371.319 2.926 20 10 FFCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839073639 746767927 /nfs/dbraw/zinc/76/79/27/746767927.db2.gz NNBOQSIFHRSZEZ-OAHLLOKOSA-N 1 0 371.319 2.926 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)c2ccnn2C)cc1 ZINC000839183897 746797145 /nfs/dbraw/zinc/79/71/45/746797145.db2.gz PYOOWYYLEHRCNC-GOSISDBHSA-N 1 0 356.495 2.941 20 10 FFCDRO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840876060 747209364 /nfs/dbraw/zinc/20/93/64/747209364.db2.gz JKKXIHCDYWTAMW-CQSZACIVSA-N 1 0 372.506 2.526 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c(Cl)c1 ZINC000840953268 747241398 /nfs/dbraw/zinc/24/13/98/747241398.db2.gz NEZPLXFSELTOPS-INIZCTEOSA-N 1 0 355.862 2.859 20 10 FFCDRO CC(C)([NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841030386 747259007 /nfs/dbraw/zinc/25/90/07/747259007.db2.gz HBIZKGVAWVPCKM-UHFFFAOYSA-N 1 0 352.070 2.744 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000841038406 747259065 /nfs/dbraw/zinc/25/90/65/747259065.db2.gz WYNCNJJHJLLAQN-AWEZNQCLSA-N 1 0 351.244 2.953 20 10 FFCDRO C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841049222 747260581 /nfs/dbraw/zinc/26/05/81/747260581.db2.gz OILSNZJYBFTBNR-ZETCQYMHSA-N 1 0 352.070 2.602 20 10 FFCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070162 747263829 /nfs/dbraw/zinc/26/38/29/747263829.db2.gz KZWTYKYZWYKBQN-GFCCVEGCSA-N 1 0 372.218 2.625 20 10 FFCDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706761 747436803 /nfs/dbraw/zinc/43/68/03/747436803.db2.gz JBTYEAHTENKFSW-CRAIPNDOSA-N 1 0 362.543 2.651 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@H]1[NH3+] ZINC000841707087 747436919 /nfs/dbraw/zinc/43/69/19/747436919.db2.gz NETZHRPPSIIQHA-SJLPKXTDSA-N 1 0 362.543 2.509 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841771545 747455531 /nfs/dbraw/zinc/45/55/31/747455531.db2.gz XXMMCEWZSRDQIF-HIFRSBDPSA-N 1 0 357.420 2.652 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000841850476 747475496 /nfs/dbraw/zinc/47/54/96/747475496.db2.gz ASMSCIRJIAMFSY-IBGZPJMESA-N 1 0 356.495 2.532 20 10 FFCDRO COc1ncncc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000842681200 747658493 /nfs/dbraw/zinc/65/84/93/747658493.db2.gz UHJAZMTYDYGWID-INIZCTEOSA-N 1 0 362.861 2.598 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCC2CCCCC2)cc1 ZINC000842784449 747687157 /nfs/dbraw/zinc/68/71/57/747687157.db2.gz FKBCNZHMCLQWTR-GOSISDBHSA-N 1 0 353.532 2.642 20 10 FFCDRO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785493 747687477 /nfs/dbraw/zinc/68/74/77/747687477.db2.gz SFRNLWULIDICPC-MRXNPFEDSA-N 1 0 367.902 2.693 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000843431971 747835650 /nfs/dbraw/zinc/83/56/50/747835650.db2.gz GJDUXRAVOGKYCL-CQSZACIVSA-N 1 0 350.768 2.854 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCSCc2ccccn2)cc1 ZINC000844163309 747982489 /nfs/dbraw/zinc/98/24/89/747982489.db2.gz YKSFCJVXNYQYMW-GOSISDBHSA-N 1 0 358.511 2.587 20 10 FFCDRO COc1ccc(N(C)CCN(C)Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000844403000 748022625 /nfs/dbraw/zinc/02/26/25/748022625.db2.gz YZYUMNMOJXVRMC-UHFFFAOYSA-N 1 0 362.495 2.667 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000844581083 748054707 /nfs/dbraw/zinc/05/47/07/748054707.db2.gz SBZZTFATIFXULY-UHFFFAOYSA-N 1 0 366.575 2.526 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000846671302 748522788 /nfs/dbraw/zinc/52/27/88/748522788.db2.gz ABGLFCUSUKPCNZ-LBPRGKRZSA-N 1 0 355.276 2.893 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848405507 748919430 /nfs/dbraw/zinc/91/94/30/748919430.db2.gz NEQNVTPQKJWUDF-PBHICJAKSA-N 1 0 367.287 2.893 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000848525112 748949317 /nfs/dbraw/zinc/94/93/17/748949317.db2.gz KIXJUDDRJMAASX-GXFFZTMASA-N 1 0 374.275 2.601 20 10 FFCDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531716 748951495 /nfs/dbraw/zinc/95/14/95/748951495.db2.gz UMTVYVGVAXVQLR-ZRNGKTOUSA-N 1 0 350.278 2.583 20 10 FFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848533697 748952760 /nfs/dbraw/zinc/95/27/60/748952760.db2.gz UFNNUFCRBOKTCY-CMPLNLGQSA-N 1 0 371.275 2.825 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCc2ncn(C)n2)c1O ZINC000848555178 748959630 /nfs/dbraw/zinc/95/96/30/748959630.db2.gz MKRDPHXAKBKPDB-SNVBAGLBSA-N 1 0 369.263 2.575 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c(C(F)(F)F)c1 ZINC000848577694 748965229 /nfs/dbraw/zinc/96/52/29/748965229.db2.gz PKLLODKEDVKHFH-CQSZACIVSA-N 1 0 357.376 2.844 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000850137325 749309640 /nfs/dbraw/zinc/30/96/40/749309640.db2.gz NAYDOWXWOHFNNI-BASLNEPJSA-N 1 0 366.889 2.797 20 10 FFCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCOC1 ZINC000850248811 749327982 /nfs/dbraw/zinc/32/79/82/749327982.db2.gz XDHHVXIIWIIQBO-IBGZPJMESA-N 1 0 351.443 2.510 20 10 FFCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CS1(=O)=O ZINC000850368898 749354120 /nfs/dbraw/zinc/35/41/20/749354120.db2.gz GIWURYBUPORKAL-WCQYABFASA-N 1 0 364.433 2.827 20 10 FFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000073744959 845572914 /nfs/dbraw/zinc/57/29/14/845572914.db2.gz WSUADZRZCYEMSQ-GOSISDBHSA-N 1 0 362.543 2.523 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000397402369 845866784 /nfs/dbraw/zinc/86/67/84/845866784.db2.gz ACIRIIZGIXEQSA-HUUCEWRRSA-N 1 0 350.459 2.987 20 10 FFCDRO C[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000895635954 970807399 /nfs/dbraw/zinc/80/73/99/970807399.db2.gz PJUMCOIFNRXVHS-OXJNMPFZSA-N 1 0 369.513 2.853 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837077 1013057606 /nfs/dbraw/zinc/05/76/06/1013057606.db2.gz BDLNIZRWTDAOGQ-WFASDCNBSA-N 1 0 364.873 2.741 20 10 FFCDRO CCCCN1C[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837682 1013066797 /nfs/dbraw/zinc/06/67/97/1013066797.db2.gz LKVMILPHGFIDQX-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2C)cc1C ZINC001105011571 971346624 /nfs/dbraw/zinc/34/66/24/971346624.db2.gz OIYZROQHBWWGBI-SJLPKXTDSA-N 1 0 370.497 2.625 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC000984832164 971781483 /nfs/dbraw/zinc/78/14/83/971781483.db2.gz CRLFUAIOYJIPED-VBEQINLCSA-N 1 0 358.482 2.556 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001027079970 972402193 /nfs/dbraw/zinc/40/21/93/972402193.db2.gz UEEXGVQEKYOABN-MLYOOKFZSA-N 1 0 358.482 2.509 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4c3CCC4)CC2)cc1 ZINC000728199738 959395830 /nfs/dbraw/zinc/39/58/30/959395830.db2.gz YGVRYNMXADINOB-UHFFFAOYSA-N 1 0 367.497 2.598 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCCCN(C)C3=O)cc2)CC1 ZINC000872265276 1013191504 /nfs/dbraw/zinc/19/15/04/1013191504.db2.gz GQEQZFJWOSZZPJ-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(C)(C)O)C1 ZINC000683491108 960787035 /nfs/dbraw/zinc/78/70/35/960787035.db2.gz FWTCTQACHAYTAB-HNNXBMFYSA-N 1 0 357.498 2.683 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275952036 1013221095 /nfs/dbraw/zinc/22/10/95/1013221095.db2.gz RQNLMYTWOFHDQY-NRFANRHFSA-N 1 0 359.514 2.664 20 10 FFCDRO Nc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000825611017 1013227519 /nfs/dbraw/zinc/22/75/19/1013227519.db2.gz MFDGVAIQRMEFFY-UHFFFAOYSA-N 1 0 371.460 2.650 20 10 FFCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000872821160 1013269661 /nfs/dbraw/zinc/26/96/61/1013269661.db2.gz SOXZQPRMZBWUNG-HNNXBMFYSA-N 1 0 356.378 2.578 20 10 FFCDRO CCn1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C1CC1 ZINC000891244285 962546316 /nfs/dbraw/zinc/54/63/16/962546316.db2.gz ZFBYUGXTWHQHRP-LJQANCHMSA-N 1 0 369.513 2.879 20 10 FFCDRO Cc1noc(C2CC2)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246712 962564073 /nfs/dbraw/zinc/56/40/73/962564073.db2.gz CGWFKIMIMCAPQB-KRWDZBQOSA-N 1 0 356.470 2.959 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3oc(=O)[nH]c32)[NH+](C)C)cc1 ZINC000891247811 962578977 /nfs/dbraw/zinc/57/89/77/962578977.db2.gz KOYUIBKYBCZQGU-INIZCTEOSA-N 1 0 368.437 2.632 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000891248936 962590024 /nfs/dbraw/zinc/59/00/24/962590024.db2.gz OXYYLVPERGXRDV-RBUKOAKNSA-N 1 0 352.482 2.597 20 10 FFCDRO CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n(C)n1 ZINC000891251606 962604799 /nfs/dbraw/zinc/60/47/99/962604799.db2.gz HEDRQHOTYYWZPD-IBGZPJMESA-N 1 0 357.502 2.642 20 10 FFCDRO Cc1cc(C)n([C@@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891255148 962617246 /nfs/dbraw/zinc/61/72/46/962617246.db2.gz NFJNUZOZBANFTL-PXNSSMCTSA-N 1 0 371.529 2.936 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891257219 962619284 /nfs/dbraw/zinc/61/92/84/962619284.db2.gz FRJAYWOBJZLQRM-IBGZPJMESA-N 1 0 370.453 2.622 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c(C)n1-c1ccccc1 ZINC001276046169 1013359900 /nfs/dbraw/zinc/35/99/00/1013359900.db2.gz VNNFXBVQJSTYQA-OAQYLSRUSA-N 1 0 353.466 2.527 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)cc1Cn1cccn1 ZINC000873051811 1013364190 /nfs/dbraw/zinc/36/41/90/1013364190.db2.gz HMBBOSRJYQMNMX-LJQANCHMSA-N 1 0 355.413 2.902 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccccc2)cc1Cn1cccn1 ZINC000873070822 1013373768 /nfs/dbraw/zinc/37/37/68/1013373768.db2.gz AZAXRFPFSWGHFQ-FQEVSTJZSA-N 1 0 351.450 2.806 20 10 FFCDRO O=C1C[C@@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001276064550 1013387950 /nfs/dbraw/zinc/38/79/50/1013387950.db2.gz SWWHZMAMHSSVNE-LJQANCHMSA-N 1 0 359.401 2.677 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873138034 1013397876 /nfs/dbraw/zinc/39/78/76/1013397876.db2.gz AUCGBRWPRSQSFR-QGZVFWFLSA-N 1 0 370.497 2.677 20 10 FFCDRO COc1nc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001167434923 963186982 /nfs/dbraw/zinc/18/69/82/963186982.db2.gz ZOEGZMXGANQIKF-UHFFFAOYSA-N 1 0 371.441 2.671 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000588404243 963573553 /nfs/dbraw/zinc/57/35/53/963573553.db2.gz DHXWHLUHTCQQMO-FYGXRCCRSA-N 1 0 352.434 2.892 20 10 FFCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC001276089076 1013435271 /nfs/dbraw/zinc/43/52/71/1013435271.db2.gz HIEHKNLUJDQVNB-OAQYLSRUSA-N 1 0 355.482 2.648 20 10 FFCDRO CCCC[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000051180063 964282797 /nfs/dbraw/zinc/28/27/97/964282797.db2.gz JIHMTUAXBDOXCK-IYBDPMFKSA-N 1 0 365.493 2.787 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000894782180 965691715 /nfs/dbraw/zinc/69/17/15/965691715.db2.gz JOJJXBXJRTWJCV-OAHLLOKOSA-N 1 0 372.435 2.997 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)NCc3ccccc3C)CC2)cc1 ZINC000052465792 967617895 /nfs/dbraw/zinc/61/78/95/967617895.db2.gz BONAPWPRXRRLTQ-UHFFFAOYSA-N 1 0 367.493 2.832 20 10 FFCDRO COc1ccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)c(O)c1OC ZINC000892353097 967672280 /nfs/dbraw/zinc/67/22/80/967672280.db2.gz SMJWTPFGTCIRST-UHFFFAOYSA-N 1 0 373.453 2.912 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccn(C)n2)cc1C ZINC001087245582 967992043 /nfs/dbraw/zinc/99/20/43/967992043.db2.gz ZGRRPBKXVJDEDM-QAPCUYQASA-N 1 0 370.497 2.768 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001279665572 968026160 /nfs/dbraw/zinc/02/61/60/968026160.db2.gz OAFUXBSTNAZRAU-UHFFFAOYSA-N 1 0 367.921 2.514 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000892792239 970291856 /nfs/dbraw/zinc/29/18/56/970291856.db2.gz RWRKTVALOOJOLT-SJORKVTESA-N 1 0 362.470 2.944 20 10 FFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000125073523 973084549 /nfs/dbraw/zinc/08/45/49/973084549.db2.gz SYIJWGASYQVKBX-ROUUACIJSA-N 1 0 374.529 2.758 20 10 FFCDRO C[NH2+]C[C@H]1CCCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000653043191 1014215040 /nfs/dbraw/zinc/21/50/40/1014215040.db2.gz GMKPNMVLEHHXJB-MRXNPFEDSA-N 1 0 369.509 2.987 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3CCOCC3)CC2)cc1 ZINC000162836120 975335283 /nfs/dbraw/zinc/33/52/83/975335283.db2.gz FJPOAVHGABZNDW-SFHVURJKSA-N 1 0 361.530 2.612 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)N(C)C)cc1 ZINC000898452204 976470461 /nfs/dbraw/zinc/47/04/61/976470461.db2.gz VLVNWXOPHKTTPD-FQEVSTJZSA-N 1 0 368.529 2.535 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)N(C)C)cc1 ZINC000898448039 976470811 /nfs/dbraw/zinc/47/08/11/976470811.db2.gz OLMFWSRKQLZDOG-HXUWFJFHSA-N 1 0 355.530 2.757 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCc3ncsc3C2)[NH+](C)C)cc1 ZINC000899103608 976914759 /nfs/dbraw/zinc/91/47/59/976914759.db2.gz NHIMWMWQEDJRSI-KRWDZBQOSA-N 1 0 373.526 2.580 20 10 FFCDRO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000899104693 976916037 /nfs/dbraw/zinc/91/60/37/976916037.db2.gz SGPONQPHKYEMGH-MOPGFXCFSA-N 1 0 362.518 2.566 20 10 FFCDRO COc1cccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000876731119 1014368230 /nfs/dbraw/zinc/36/82/30/1014368230.db2.gz OUQDBWPOCBLCFE-LJQANCHMSA-N 1 0 371.506 2.565 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000728913628 977429939 /nfs/dbraw/zinc/42/99/39/977429939.db2.gz NZYYGBCUVABUMY-WOJBJXKFSA-N 1 0 363.505 2.917 20 10 FFCDRO Cc1cnccc1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893837400 977560215 /nfs/dbraw/zinc/56/02/15/977560215.db2.gz PNJLBNDSGXFRNY-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000876950267 1014429996 /nfs/dbraw/zinc/42/99/96/1014429996.db2.gz JELMBNLFTQNNQY-UHFFFAOYSA-N 1 0 354.450 2.690 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000877146521 1014489336 /nfs/dbraw/zinc/48/93/36/1014489336.db2.gz UFXDGGSURSEUKJ-ICSRJNTNSA-N 1 0 359.514 2.683 20 10 FFCDRO C[C@@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623302 979726239 /nfs/dbraw/zinc/72/62/39/979726239.db2.gz OZXBQAIKPPCIBC-IVMMDQJWSA-N 1 0 361.421 2.743 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnc(OC(F)F)c3)cc2)CC1 ZINC000877508528 1014606511 /nfs/dbraw/zinc/60/65/11/1014606511.db2.gz ZKZCMDNXAVOUHE-UHFFFAOYSA-N 1 0 363.408 2.934 20 10 FFCDRO Cc1cc(C[NH+]2CCN(CCC(=O)N(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000760415132 982392477 /nfs/dbraw/zinc/39/24/77/982392477.db2.gz QBGJQDGQKQHRGC-UHFFFAOYSA-N 1 0 361.530 2.594 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)ccc1OC ZINC000898058982 982604296 /nfs/dbraw/zinc/60/42/96/982604296.db2.gz VHTPZGSXIFCTAQ-HXUWFJFHSA-N 1 0 359.470 2.761 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC2CC[NH+](C)CC2)CCCC1 ZINC000651025252 1014950677 /nfs/dbraw/zinc/95/06/77/1014950677.db2.gz ZBDOVCJQHKBUBB-UHFFFAOYSA-N 1 0 355.482 2.739 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000151209674 984215052 /nfs/dbraw/zinc/21/50/52/984215052.db2.gz BXBZMQMRCWUMSW-CRAIPNDOSA-N 1 0 369.465 2.863 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000163907265 984313150 /nfs/dbraw/zinc/31/31/50/984313150.db2.gz ZMLWSCCSKRSBIS-GOSISDBHSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)CC2(C)C)cc1C ZINC000996334971 984318336 /nfs/dbraw/zinc/31/83/36/984318336.db2.gz SKNPFORWUVKKHL-ATZDWAIDSA-N 1 0 360.498 2.898 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1ccncc1 ZINC000156360732 984326399 /nfs/dbraw/zinc/32/63/99/984326399.db2.gz XPUWEDRYSJLXEG-UHFFFAOYSA-N 1 0 365.481 2.935 20 10 FFCDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764482115 984521570 /nfs/dbraw/zinc/52/15/70/984521570.db2.gz ZOGLDBHJYOFMPJ-IRXDYDNUSA-N 1 0 362.518 2.614 20 10 FFCDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764482111 984521990 /nfs/dbraw/zinc/52/19/90/984521990.db2.gz ZOGLDBHJYOFMPJ-IAGOWNOFSA-N 1 0 362.518 2.614 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCc4nc(C)ncc4C3)CC2)cc1 ZINC000764857175 984756686 /nfs/dbraw/zinc/75/66/86/984756686.db2.gz LDQBDGOYVUALAI-GOSISDBHSA-N 1 0 352.482 2.910 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765328320 985036385 /nfs/dbraw/zinc/03/63/85/985036385.db2.gz DSASNBFCCFGVRK-QGZVFWFLSA-N 1 0 367.497 2.633 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000170674102 985111553 /nfs/dbraw/zinc/11/15/53/985111553.db2.gz CFMVWUJKOBBQJK-UHFFFAOYSA-N 1 0 374.529 2.836 20 10 FFCDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000765632766 985246371 /nfs/dbraw/zinc/24/63/71/985246371.db2.gz GOQBBUXXTGXDRT-GOEBONIOSA-N 1 0 365.449 2.544 20 10 FFCDRO C[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000785439730 985415372 /nfs/dbraw/zinc/41/53/72/985415372.db2.gz QVAGLJFNPYOALR-INIZCTEOSA-N 1 0 363.502 2.868 20 10 FFCDRO C[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000785439731 985416566 /nfs/dbraw/zinc/41/65/66/985416566.db2.gz QVAGLJFNPYOALR-MRXNPFEDSA-N 1 0 363.502 2.868 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC000999441354 986508465 /nfs/dbraw/zinc/50/84/65/986508465.db2.gz AASBFSGQTPVRKQ-BRDNKTQISA-N 1 0 358.482 2.650 20 10 FFCDRO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765973791 987922781 /nfs/dbraw/zinc/92/27/81/987922781.db2.gz FRLSUVXROBFPBN-AVRDEDQJSA-N 1 0 373.541 2.817 20 10 FFCDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000765979556 988236255 /nfs/dbraw/zinc/23/62/55/988236255.db2.gz LPFRNPBNBCOKLK-MRXNPFEDSA-N 1 0 374.506 2.781 20 10 FFCDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922544260 988687618 /nfs/dbraw/zinc/68/76/18/988687618.db2.gz MPDJRVWGOMHTDK-IBGZPJMESA-N 1 0 358.457 2.746 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000922563503 988695174 /nfs/dbraw/zinc/69/51/74/988695174.db2.gz IKCBVGGMAGQMFF-FQEVSTJZSA-N 1 0 362.420 2.799 20 10 FFCDRO COc1cccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)c1 ZINC000186738105 989157620 /nfs/dbraw/zinc/15/76/20/989157620.db2.gz AARJYNGBVHBOAN-KRWDZBQOSA-N 1 0 356.422 2.673 20 10 FFCDRO COc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)cc1 ZINC000186740800 989159175 /nfs/dbraw/zinc/15/91/75/989159175.db2.gz JIBWVXCYAZLOCH-KRWDZBQOSA-N 1 0 356.422 2.673 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ncccc3C)cc2F)CC1 ZINC000171687154 989685781 /nfs/dbraw/zinc/68/57/81/989685781.db2.gz MRZAKLTXOOSONB-UHFFFAOYSA-N 1 0 371.460 2.993 20 10 FFCDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(O)c1O ZINC000179479729 991275144 /nfs/dbraw/zinc/27/51/44/991275144.db2.gz VKLVYAXGNHBTFD-KRWDZBQOSA-N 1 0 354.450 2.701 20 10 FFCDRO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879650021 1015625692 /nfs/dbraw/zinc/62/56/92/1015625692.db2.gz XYXDVWBZWSOZRS-ZBFHGGJFSA-N 1 0 359.422 2.659 20 10 FFCDRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)c(C)c1 ZINC000879651085 1015626037 /nfs/dbraw/zinc/62/60/37/1015626037.db2.gz HDENHLFNICLZPL-INIZCTEOSA-N 1 0 369.465 2.723 20 10 FFCDRO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2ccccc2O)c1OC ZINC000879652409 1015627314 /nfs/dbraw/zinc/62/73/14/1015627314.db2.gz CZWPMQNUSHKQBM-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000068484506 991445233 /nfs/dbraw/zinc/44/52/33/991445233.db2.gz FBIWLTQMOYZAEV-ROUUACIJSA-N 1 0 374.529 2.615 20 10 FFCDRO O=c1ccccn1Cc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000238133204 991477830 /nfs/dbraw/zinc/47/78/30/991477830.db2.gz XKGYGSSKBHFCAD-UHFFFAOYSA-N 1 0 364.401 2.621 20 10 FFCDRO CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000182414745 992043382 /nfs/dbraw/zinc/04/33/82/992043382.db2.gz ACGHDNVKKREOKO-HNNXBMFYSA-N 1 0 372.465 2.904 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182641610 992211445 /nfs/dbraw/zinc/21/14/45/992211445.db2.gz BRROCAQDDFBJFM-HUUCEWRRSA-N 1 0 361.486 2.853 20 10 FFCDRO O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCc2ccccc21 ZINC000070975854 992363139 /nfs/dbraw/zinc/36/31/39/992363139.db2.gz FAHJNKGNWWCCFH-LJQANCHMSA-N 1 0 366.461 2.963 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185007092 993114755 /nfs/dbraw/zinc/11/47/55/993114755.db2.gz IJEGAOKOSQQVJH-INIZCTEOSA-N 1 0 373.541 2.912 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)n1-c1ccc(F)cn1 ZINC000880141919 1015766054 /nfs/dbraw/zinc/76/60/54/1015766054.db2.gz KQBYWGWYIUNTGN-RTBURBONSA-N 1 0 370.472 2.979 20 10 FFCDRO COCC[N@H+](C)CCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000727032250 994426668 /nfs/dbraw/zinc/42/66/68/994426668.db2.gz OHRUIPUQJBRPPW-UHFFFAOYSA-N 1 0 372.513 2.514 20 10 FFCDRO COC(=O)C[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccncc1 ZINC000809567172 994539726 /nfs/dbraw/zinc/53/97/26/994539726.db2.gz WNEOZDLOWBOSTL-IBGZPJMESA-N 1 0 360.385 2.697 20 10 FFCDRO COc1c(O)c(CN(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000809727998 994582371 /nfs/dbraw/zinc/58/23/71/994582371.db2.gz GOCASGWFMRPJHZ-UHFFFAOYSA-N 1 0 359.426 2.873 20 10 FFCDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000809735550 994584760 /nfs/dbraw/zinc/58/47/60/994584760.db2.gz KJABLMARGCTOTO-UHFFFAOYSA-N 1 0 357.498 2.988 20 10 FFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c(OC)c1 ZINC000809741536 994601638 /nfs/dbraw/zinc/60/16/38/994601638.db2.gz PJSHUNGYKLSGHD-CYBMUJFWSA-N 1 0 374.437 2.925 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3n[nH]c(C)c3C)C[C@H]2C)cc1C ZINC001082453924 994645492 /nfs/dbraw/zinc/64/54/92/994645492.db2.gz BOPNSOHXLHQTOI-CXAGYDPISA-N 1 0 356.470 2.594 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2c(C)nc3ccccn3c2=O)c1 ZINC000809971753 994647861 /nfs/dbraw/zinc/64/78/61/994647861.db2.gz JMKRMXXKGOZTEJ-ZDUSSCGKSA-N 1 0 353.422 2.610 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082572336 994926179 /nfs/dbraw/zinc/92/61/79/994926179.db2.gz XWJSHGXZWHONMW-UIXUWTQFSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]CC3Cc4ccccc4C3)CC2)cc1 ZINC000811475431 995161145 /nfs/dbraw/zinc/16/11/45/995161145.db2.gz FIYKHQMWUDSYEY-UHFFFAOYSA-N 1 0 365.521 2.822 20 10 FFCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000811794667 995265184 /nfs/dbraw/zinc/26/51/84/995265184.db2.gz VUAAZXLVUCMCKL-LJQANCHMSA-N 1 0 353.418 2.874 20 10 FFCDRO C[C@@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@H]1[NH3+] ZINC001206075390 1032132661 /nfs/dbraw/zinc/13/26/61/1032132661.db2.gz JXIQSCWVUNTVTA-RDDDGLTNSA-N 1 0 353.182 2.953 20 10 FFCDRO CO[C@](C)(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000812542944 995453753 /nfs/dbraw/zinc/45/37/53/995453753.db2.gz MMMFLHLIUFRFET-QFIPXVFZSA-N 1 0 371.525 2.650 20 10 FFCDRO O=C1CCC2=C(CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)N1 ZINC000826780811 1016064964 /nfs/dbraw/zinc/06/49/64/1016064964.db2.gz QUHVRHDDVRBOKN-UHFFFAOYSA-N 1 0 370.453 2.955 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000730228712 996994837 /nfs/dbraw/zinc/99/48/37/996994837.db2.gz WIUZJVLXROLDAI-QGZVFWFLSA-N 1 0 368.525 2.768 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[N@H+](C)C[C@H]3C(C)C)C2)cc1 ZINC000824692745 997057411 /nfs/dbraw/zinc/05/74/11/997057411.db2.gz HLHJMPMBQWOPEC-XLIONFOSSA-N 1 0 374.529 2.503 20 10 FFCDRO Cc1cc(C(=O)Cn2cc(CCC[NH3+])nn2)c(C)n1-c1cccc(F)c1 ZINC000881035067 1016090457 /nfs/dbraw/zinc/09/04/57/1016090457.db2.gz AICUYKKACCIDLY-UHFFFAOYSA-N 1 0 355.417 2.599 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(O)c1 ZINC000824827162 997116501 /nfs/dbraw/zinc/11/65/01/997116501.db2.gz ASKJUBCMYMUFFQ-OCCSQVGLSA-N 1 0 372.387 2.634 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(OC)c(O)c(OC)c3)C2)cc1 ZINC000826845180 1016099958 /nfs/dbraw/zinc/09/99/58/1016099958.db2.gz HBRPMRAFVDSUIW-OAHLLOKOSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825129895 997225352 /nfs/dbraw/zinc/22/53/52/997225352.db2.gz HMLIHNSBBDMCRP-NVXWUHKLSA-N 1 0 363.458 2.557 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(N4CCCC4=O)cn3)cc2)CC1 ZINC000825374831 997349997 /nfs/dbraw/zinc/34/99/97/997349997.db2.gz GNIACEBWVDFDIP-UHFFFAOYSA-N 1 0 365.481 2.572 20 10 FFCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000844188073 997699770 /nfs/dbraw/zinc/69/97/70/997699770.db2.gz NWCMZKZVSQLOSS-CPUCHLNUSA-N 1 0 367.440 2.761 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3[O-])CC[C@H]21 ZINC001144308016 998304541 /nfs/dbraw/zinc/30/45/41/998304541.db2.gz GXPLWRJNWRGWBL-QMTHXVAHSA-N 1 0 371.250 2.737 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC001091078600 998498053 /nfs/dbraw/zinc/49/80/53/998498053.db2.gz CPGPTESYZXYJQC-OPQOLIRYSA-N 1 0 368.481 2.515 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732447619 998661983 /nfs/dbraw/zinc/66/19/83/998661983.db2.gz HDCFPHVHDFMIEW-LJQANCHMSA-N 1 0 374.554 2.618 20 10 FFCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000733299096 998960032 /nfs/dbraw/zinc/96/00/32/998960032.db2.gz ZVZSDTNOSOYNCR-AWEZNQCLSA-N 1 0 374.462 2.805 20 10 FFCDRO FC(F)Oc1ccc2c(c1)CCCN2Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903905666 1016298602 /nfs/dbraw/zinc/29/86/02/1016298602.db2.gz LIIYLRVZDJKNFK-CQSZACIVSA-N 1 0 363.412 2.757 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnnc2C)cc1C ZINC001085260736 999274898 /nfs/dbraw/zinc/27/48/98/999274898.db2.gz DCBHQYFNODJZRO-RTBURBONSA-N 1 0 368.481 2.933 20 10 FFCDRO Oc1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)OCO2 ZINC000734843034 999347310 /nfs/dbraw/zinc/34/73/10/999347310.db2.gz CLZWHGJVZVSKHU-DYVFJYSZSA-N 1 0 369.339 2.745 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000738299320 999624694 /nfs/dbraw/zinc/62/46/94/999624694.db2.gz NNNYKHDSIFJNIC-IBGZPJMESA-N 1 0 355.486 2.504 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c1O ZINC000742161406 999763235 /nfs/dbraw/zinc/76/32/35/999763235.db2.gz IXPFEBREWNXVLJ-MRXNPFEDSA-N 1 0 352.434 2.778 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1F ZINC000740006836 1000062118 /nfs/dbraw/zinc/06/21/18/1000062118.db2.gz OGHPDAVSPMKAGL-TZIWHRDSSA-N 1 0 371.500 2.864 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN(C)[C@@H](C)C2)C1 ZINC000767951269 1000164668 /nfs/dbraw/zinc/16/46/68/1000164668.db2.gz XJOSZLJXUDBETN-KRWDZBQOSA-N 1 0 368.525 2.570 20 10 FFCDRO O[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOC1 ZINC000846050197 1000197842 /nfs/dbraw/zinc/19/78/42/1000197842.db2.gz SCZPWGCMQKQBKG-QFIPXVFZSA-N 1 0 352.478 2.880 20 10 FFCDRO O[C@]1(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOC1 ZINC000846050196 1000197994 /nfs/dbraw/zinc/19/79/94/1000197994.db2.gz SCZPWGCMQKQBKG-JOCHJYFZSA-N 1 0 352.478 2.880 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000768253223 1000201127 /nfs/dbraw/zinc/20/11/27/1000201127.db2.gz WIJYHRXTYIIHCY-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1 ZINC000768440963 1000248554 /nfs/dbraw/zinc/24/85/54/1000248554.db2.gz BQKLDENJRPZZBH-HXUWFJFHSA-N 1 0 370.449 2.539 20 10 FFCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768443225 1000248811 /nfs/dbraw/zinc/24/88/11/1000248811.db2.gz RTTZGDKGOJXAQF-UHFFFAOYSA-N 1 0 372.494 2.973 20 10 FFCDRO CNC(=O)c1ccc(C[N@H+](Cc2cc(OC)c(OC)cc2O)C2CC2)cc1 ZINC000768442362 1000249048 /nfs/dbraw/zinc/24/90/48/1000249048.db2.gz SWYHKCDWIHMLAQ-UHFFFAOYSA-N 1 0 370.449 2.934 20 10 FFCDRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444333 1000250832 /nfs/dbraw/zinc/25/08/32/1000250832.db2.gz AAHILEVRDHGRFE-KUHUBIRLSA-N 1 0 371.433 2.629 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2cccc(OCC[NH3+])c2)cc1 ZINC000846309486 1000264798 /nfs/dbraw/zinc/26/47/98/1000264798.db2.gz FVMDVINNJJBRLM-UHFFFAOYSA-N 1 0 372.469 2.633 20 10 FFCDRO O=C(Cc1ccco1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533739 1000287141 /nfs/dbraw/zinc/28/71/41/1000287141.db2.gz RLDLCPVWFSEJJI-UHFFFAOYSA-N 1 0 353.466 2.671 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccccc1O ZINC000768913131 1000384268 /nfs/dbraw/zinc/38/42/68/1000384268.db2.gz FTUNWSPJSOGABX-UHFFFAOYSA-N 1 0 365.477 2.854 20 10 FFCDRO Cc1ccc2c(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c[nH]c2c1 ZINC000846663705 1000403740 /nfs/dbraw/zinc/40/37/40/1000403740.db2.gz MEQWDNMRQHRQBU-LJQANCHMSA-N 1 0 350.466 2.901 20 10 FFCDRO Cc1ccc2c(CC(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)c[nH]c2c1 ZINC000846663704 1000403844 /nfs/dbraw/zinc/40/38/44/1000403844.db2.gz MEQWDNMRQHRQBU-IBGZPJMESA-N 1 0 350.466 2.901 20 10 FFCDRO COc1cccc(O)c1CNc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000769416584 1000509678 /nfs/dbraw/zinc/50/96/78/1000509678.db2.gz ZQRBBEOMGBGTQA-UHFFFAOYSA-N 1 0 356.470 2.938 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c1 ZINC000769452468 1000525348 /nfs/dbraw/zinc/52/53/48/1000525348.db2.gz SICZWHOUPYROJY-UHFFFAOYSA-N 1 0 354.450 2.810 20 10 FFCDRO COC(=O)[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769663731 1000571845 /nfs/dbraw/zinc/57/18/45/1000571845.db2.gz QJQHHHVLKCRZDF-CQSZACIVSA-N 1 0 358.438 2.513 20 10 FFCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)CC2 ZINC001171282973 1000731084 /nfs/dbraw/zinc/73/10/84/1000731084.db2.gz BMYXRXZFAPFOHT-KPZWWZAWSA-N 1 0 363.841 2.940 20 10 FFCDRO CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000771444384 1001116163 /nfs/dbraw/zinc/11/61/63/1001116163.db2.gz DBLYRKIWLLGBON-YHYXMXQVSA-N 1 0 354.454 2.571 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]C3CCC4(CCCO4)CC3)CC2)cc1 ZINC000788241884 1001776426 /nfs/dbraw/zinc/77/64/26/1001776426.db2.gz OOURHZWJSRXWRU-UHFFFAOYSA-N 1 0 373.541 2.899 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000773077439 1002896682 /nfs/dbraw/zinc/89/66/82/1002896682.db2.gz DOLNKBIXTGWYGE-HKUYNNGSSA-N 1 0 360.498 2.902 20 10 FFCDRO COc1ccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792839889 1003207549 /nfs/dbraw/zinc/20/75/49/1003207549.db2.gz AWWUMMUELFVOFU-GASCZTMLSA-N 1 0 363.502 2.957 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)c(O)c1 ZINC000793386325 1003359999 /nfs/dbraw/zinc/35/99/99/1003359999.db2.gz LQXOOVWRKSHVFN-ZDUSSCGKSA-N 1 0 374.437 2.925 20 10 FFCDRO CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000793455561 1003387411 /nfs/dbraw/zinc/38/74/11/1003387411.db2.gz DVRPAUSYLRPQBT-KXBFYZLASA-N 1 0 365.493 2.645 20 10 FFCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000793620486 1003446836 /nfs/dbraw/zinc/44/68/36/1003446836.db2.gz PNHYFCDAKNNILJ-HSZRJFAPSA-N 1 0 365.521 2.882 20 10 FFCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000793620490 1003447002 /nfs/dbraw/zinc/44/70/02/1003447002.db2.gz PNHYFCDAKNNILJ-QHCPKHFHSA-N 1 0 365.521 2.882 20 10 FFCDRO O=C(CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(O)c(O)c1 ZINC001186939445 1003480284 /nfs/dbraw/zinc/48/02/84/1003480284.db2.gz LSGBLJPLWLLUCB-UHFFFAOYSA-N 1 0 368.433 2.696 20 10 FFCDRO O=C(NCCc1cc(O)c(O)cc1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186940849 1003481300 /nfs/dbraw/zinc/48/13/00/1003481300.db2.gz ZCZPVIQUBGKSEC-UHFFFAOYSA-N 1 0 370.449 2.762 20 10 FFCDRO CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793761165 1003483543 /nfs/dbraw/zinc/48/35/43/1003483543.db2.gz SZQYOPGFALKZJQ-UWJYYQICSA-N 1 0 373.541 2.896 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000773106599 1003519841 /nfs/dbraw/zinc/51/98/41/1003519841.db2.gz YDZWEHJJNGIBDM-SFHVURJKSA-N 1 0 352.482 2.928 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccc(F)cc1 ZINC000747232560 1003956498 /nfs/dbraw/zinc/95/64/98/1003956498.db2.gz YMGWMFNDOZZWAB-MOPGFXCFSA-N 1 0 371.456 2.826 20 10 FFCDRO C[C@H]1CC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805866910 1004164645 /nfs/dbraw/zinc/16/46/45/1004164645.db2.gz SEKZJKIJFCZZEB-OXJNMPFZSA-N 1 0 356.514 2.816 20 10 FFCDRO Oc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1O ZINC001203884063 1004365607 /nfs/dbraw/zinc/36/56/07/1004365607.db2.gz RCCLPIQKTOMWBH-UHFFFAOYSA-N 1 0 352.232 2.894 20 10 FFCDRO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)CCC1 ZINC001198131987 1004489609 /nfs/dbraw/zinc/48/96/09/1004489609.db2.gz VAFKVYGDCZSVJN-OAQYLSRUSA-N 1 0 360.498 2.731 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775830429 1004539899 /nfs/dbraw/zinc/53/98/99/1004539899.db2.gz IIIXMAOAWOKMPN-RLFYNMQTSA-N 1 0 360.502 2.808 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833637 1004546349 /nfs/dbraw/zinc/54/63/49/1004546349.db2.gz FSJPIQZYKOTBQB-MRXNPFEDSA-N 1 0 353.466 2.792 20 10 FFCDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000775834196 1004571043 /nfs/dbraw/zinc/57/10/43/1004571043.db2.gz LJDVLDYZTLAHHK-ZDUSSCGKSA-N 1 0 372.425 2.959 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)Cc2ccc(OCC(=O)OC)cc2)c1 ZINC000775982690 1004953673 /nfs/dbraw/zinc/95/36/73/1004953673.db2.gz CFVCCNJMAHQXGB-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C12CCC2 ZINC000776156931 1005201380 /nfs/dbraw/zinc/20/13/80/1005201380.db2.gz OMHCKPBWWIRACP-YSIASYRMSA-N 1 0 371.525 2.826 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cccc(CO)c3)CC2)cc1 ZINC000776305194 1005354864 /nfs/dbraw/zinc/35/48/64/1005354864.db2.gz DVNCVFLUZROUFR-GOSISDBHSA-N 1 0 369.509 2.660 20 10 FFCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850252269 1005799735 /nfs/dbraw/zinc/79/97/35/1005799735.db2.gz OXQWSPLDUQJQID-ROUUACIJSA-N 1 0 367.486 2.608 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000850345596 1005809009 /nfs/dbraw/zinc/80/90/09/1005809009.db2.gz FRIZIEYACLYDNN-IBGZPJMESA-N 1 0 365.477 2.956 20 10 FFCDRO CCOC(=O)NC1CCC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850486763 1005818277 /nfs/dbraw/zinc/81/82/77/1005818277.db2.gz JXYKMJXBVMFEQJ-JCYILVPMSA-N 1 0 361.486 2.921 20 10 FFCDRO COc1ccc(N2C[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)CC2=O)cc1 ZINC000850515313 1005819848 /nfs/dbraw/zinc/81/98/48/1005819848.db2.gz KEHKCAWFVUWFKW-ZIAGYGMSSA-N 1 0 356.422 2.866 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000851639954 1005902164 /nfs/dbraw/zinc/90/21/64/1005902164.db2.gz NNYAMBCCHHBAJP-PXNSSMCTSA-N 1 0 353.466 2.870 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3([NH3+])CCCCCC3)C2)cc1 ZINC000851661592 1005904103 /nfs/dbraw/zinc/90/41/03/1005904103.db2.gz LZJSYGFOURCAOX-MRXNPFEDSA-N 1 0 360.502 2.625 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000851791682 1005914217 /nfs/dbraw/zinc/91/42/17/1005914217.db2.gz FDTYODVGZJHUHW-MRXNPFEDSA-N 1 0 362.470 2.547 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000851972936 1005928131 /nfs/dbraw/zinc/92/81/31/1005928131.db2.gz UHNBQDUOHQKFIJ-SFHVURJKSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000852186288 1005949078 /nfs/dbraw/zinc/94/90/78/1005949078.db2.gz DUANILIZTNSKHG-BZSNNMDCSA-N 1 0 374.529 2.694 20 10 FFCDRO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852189520 1005949413 /nfs/dbraw/zinc/94/94/13/1005949413.db2.gz KAFUOIQUTCGYGB-GOSISDBHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3cccc4c3C[NH2+]C4)CC2)cc1 ZINC000852801004 1006191732 /nfs/dbraw/zinc/19/17/32/1006191732.db2.gz DQEZPUJUWXBHTP-UHFFFAOYSA-N 1 0 351.450 2.697 20 10 FFCDRO O=C(c1cccc2c1CC[NH2+]C2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000852882264 1006220074 /nfs/dbraw/zinc/22/00/74/1006220074.db2.gz BGDOLMZKPZPNAQ-GOSISDBHSA-N 1 0 366.461 2.859 20 10 FFCDRO CCOC(=O)c1cnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1C ZINC001187832709 1006288451 /nfs/dbraw/zinc/28/84/51/1006288451.db2.gz LVUCZINLQAOSMI-SFHVURJKSA-N 1 0 371.485 2.743 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2F)C[C@H](C)O1 ZINC000853098424 1006294720 /nfs/dbraw/zinc/29/47/20/1006294720.db2.gz JDKNQNGDJYBGHJ-QEEYODRMSA-N 1 0 359.445 2.658 20 10 FFCDRO C[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1O ZINC000111236305 1006363348 /nfs/dbraw/zinc/36/33/48/1006363348.db2.gz DWJWDCAVXZBWNV-UHFFFAOYSA-N 1 0 371.481 2.619 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1F ZINC000815059597 1006504363 /nfs/dbraw/zinc/50/43/63/1006504363.db2.gz FCCZBZNYSZJSSS-SFHVURJKSA-N 1 0 362.420 2.699 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2n2cccn2)ccc1OC ZINC000815167270 1006540761 /nfs/dbraw/zinc/54/07/61/1006540761.db2.gz XHSGLJJGBDMQHR-HOJAQTOUSA-N 1 0 359.470 2.937 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000853985023 1006616043 /nfs/dbraw/zinc/61/60/43/1006616043.db2.gz VSEYREFMRQDXGK-MSOLQXFVSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1cc(F)cc(OC)c1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283147 1006729998 /nfs/dbraw/zinc/72/99/98/1006729998.db2.gz RXXZCMQXACCSFH-UHFFFAOYSA-N 1 0 373.472 2.885 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(O)c1 ZINC000883399249 1006778466 /nfs/dbraw/zinc/77/84/66/1006778466.db2.gz IGUJMXGBPGDEEH-MRXNPFEDSA-N 1 0 368.481 2.704 20 10 FFCDRO CC(C)c1cc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000883412615 1006782874 /nfs/dbraw/zinc/78/28/74/1006782874.db2.gz JUOLKDHMUCOFBQ-UHFFFAOYSA-N 1 0 371.485 2.549 20 10 FFCDRO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816519209 1007097773 /nfs/dbraw/zinc/09/77/73/1007097773.db2.gz BTZZSFKDVPSDTN-QGZVFWFLSA-N 1 0 367.493 2.674 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775260975 1007133732 /nfs/dbraw/zinc/13/37/32/1007133732.db2.gz RQNYPOSNVUAHCX-OAHLLOKOSA-N 1 0 355.438 2.518 20 10 FFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000775372751 1007578560 /nfs/dbraw/zinc/57/85/60/1007578560.db2.gz IIYMTJDTHFEVNJ-CABCVRRESA-N 1 0 361.438 2.890 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817585967 1007658169 /nfs/dbraw/zinc/65/81/69/1007658169.db2.gz KHIZQEDJHUDJAX-BZUAXINKSA-N 1 0 363.477 2.605 20 10 FFCDRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(N(C)C)cc1 ZINC000775403702 1007737842 /nfs/dbraw/zinc/73/78/42/1007737842.db2.gz KJSHSSOJTZBVDV-KRWDZBQOSA-N 1 0 359.514 2.965 20 10 FFCDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901197 1007804547 /nfs/dbraw/zinc/80/45/47/1007804547.db2.gz UWWDZUHUJWGUID-OAGGEKHMSA-N 1 0 369.456 2.613 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000817938682 1007816442 /nfs/dbraw/zinc/81/64/42/1007816442.db2.gz PUGUQAXSPHREHM-FOIQADDNSA-N 1 0 350.470 2.684 20 10 FFCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817996935 1007828780 /nfs/dbraw/zinc/82/87/80/1007828780.db2.gz GBUKJWCMJZNBMD-MAUKXSAKSA-N 1 0 370.522 2.872 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(N)cc3O)c2)CC1 ZINC000817999554 1007830739 /nfs/dbraw/zinc/83/07/39/1007830739.db2.gz TYTQLQABTHETPF-UHFFFAOYSA-N 1 0 354.454 2.757 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)nnn4C)C2)cc1 ZINC000818222294 1007888192 /nfs/dbraw/zinc/88/81/92/1007888192.db2.gz SEJFFFQGDIKNGP-MRXNPFEDSA-N 1 0 351.454 2.593 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000818222647 1007888263 /nfs/dbraw/zinc/88/82/63/1007888263.db2.gz VFBMJVYZJOTTHT-KRWDZBQOSA-N 1 0 374.506 2.715 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000818634686 1007957178 /nfs/dbraw/zinc/95/71/78/1007957178.db2.gz BGVLRJZSLONYGW-OAHLLOKOSA-N 1 0 366.465 2.946 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953087 1007991563 /nfs/dbraw/zinc/99/15/63/1007991563.db2.gz BEVOVDJBKFMYPL-HXUWFJFHSA-N 1 0 363.502 2.652 20 10 FFCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000818967671 1008010400 /nfs/dbraw/zinc/01/04/00/1008010400.db2.gz YIHCAURPRMKWEV-SFHVURJKSA-N 1 0 374.456 2.500 20 10 FFCDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc(N3CC=CC3)cc2)CC1 ZINC000819095178 1008033198 /nfs/dbraw/zinc/03/31/98/1008033198.db2.gz AUARZPKDGDKSHF-UHFFFAOYSA-N 1 0 358.482 2.637 20 10 FFCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000819358560 1008107596 /nfs/dbraw/zinc/10/75/96/1008107596.db2.gz LAKLIXPOOGPXOM-GOSISDBHSA-N 1 0 366.383 2.764 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000819696035 1008208440 /nfs/dbraw/zinc/20/84/40/1008208440.db2.gz IRVRJMJSRZEJPM-XHSDSOJGSA-N 1 0 362.470 2.545 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000819837683 1008237465 /nfs/dbraw/zinc/23/74/65/1008237465.db2.gz PRGYODYTTFTVEE-GOSISDBHSA-N 1 0 355.482 2.589 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000115829621 1008291285 /nfs/dbraw/zinc/29/12/85/1008291285.db2.gz KTKHHHJNCHQGIY-UHFFFAOYSA-N 1 0 361.417 2.601 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cocc3C)CC2)cc1 ZINC000858179869 1008318071 /nfs/dbraw/zinc/31/80/71/1008318071.db2.gz WEVPNFRRGSNTRF-UHFFFAOYSA-N 1 0 357.454 2.539 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000858341557 1008348274 /nfs/dbraw/zinc/34/82/74/1008348274.db2.gz CDFNNKGDWKVLHY-QGZVFWFLSA-N 1 0 372.469 2.828 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000859379684 1008508336 /nfs/dbraw/zinc/50/83/36/1008508336.db2.gz PBOZAUGVNRLQPP-QGZVFWFLSA-N 1 0 353.466 2.930 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000859562429 1008562096 /nfs/dbraw/zinc/56/20/96/1008562096.db2.gz KCTZPKHTNONMPD-OAQYLSRUSA-N 1 0 352.482 2.895 20 10 FFCDRO Oc1ccc(Br)cc1CNc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001160012490 1008570888 /nfs/dbraw/zinc/57/08/88/1008570888.db2.gz OUFHCWCOJAAWIE-UHFFFAOYSA-N 1 0 369.650 2.856 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000822370969 1008588809 /nfs/dbraw/zinc/58/88/09/1008588809.db2.gz QGOKHAXMGREPAM-ZWKOTPCHSA-N 1 0 359.514 2.902 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2F)cc1Cn1cccn1 ZINC000886236336 1008608720 /nfs/dbraw/zinc/60/87/20/1008608720.db2.gz DXRQSJJKAXBDHP-LJQANCHMSA-N 1 0 369.440 2.772 20 10 FFCDRO COc1ccc(O)c(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000822526461 1008646373 /nfs/dbraw/zinc/64/63/73/1008646373.db2.gz VEPPLQSRXRLFII-UHFFFAOYSA-N 1 0 354.406 2.519 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccc(CO)c1 ZINC000886748980 1008859791 /nfs/dbraw/zinc/85/97/91/1008859791.db2.gz FSZRNCGTGMWHKC-MRXNPFEDSA-N 1 0 367.493 2.731 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cc2)CC1 ZINC000886751669 1008862019 /nfs/dbraw/zinc/86/20/19/1008862019.db2.gz YEKAVKBXJSZFOI-NHCUHLMSSA-N 1 0 371.525 2.826 20 10 FFCDRO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001179376500 1009329107 /nfs/dbraw/zinc/32/91/07/1009329107.db2.gz ZRIRCFXANJMREH-UHFFFAOYSA-N 1 0 360.498 2.907 20 10 FFCDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000861341408 1009354817 /nfs/dbraw/zinc/35/48/17/1009354817.db2.gz PKOICRQJMYSAOW-UZLBHIALSA-N 1 0 357.454 2.755 20 10 FFCDRO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC001179691450 1009405007 /nfs/dbraw/zinc/40/50/07/1009405007.db2.gz PSUBANPAFXUUPF-KRXBUXKQSA-N 1 0 356.397 2.727 20 10 FFCDRO CC(C)(CNC(N)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179728607 1009425425 /nfs/dbraw/zinc/42/54/25/1009425425.db2.gz HYUYIXXIJCFLEB-UHFFFAOYSA-N 1 0 352.482 2.786 20 10 FFCDRO COc1nc(Cl)c(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1C ZINC001179751307 1009438753 /nfs/dbraw/zinc/43/87/53/1009438753.db2.gz MRGHOTTYKQXXMN-OAHLLOKOSA-N 1 0 365.909 2.541 20 10 FFCDRO COc1cc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc(OC)c1 ZINC001179822982 1009473487 /nfs/dbraw/zinc/47/34/87/1009473487.db2.gz YIJVBMDSEDXMAT-UHFFFAOYSA-N 1 0 370.493 2.997 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1N1CCCCC1 ZINC000777219124 1009560168 /nfs/dbraw/zinc/56/01/68/1009560168.db2.gz CFMJGRCECQTTNW-MRXNPFEDSA-N 1 0 356.430 2.624 20 10 FFCDRO C[C@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000119122313 1010019265 /nfs/dbraw/zinc/01/92/65/1010019265.db2.gz XDDKYCQWUQKUAZ-KRWDZBQOSA-N 1 0 356.514 2.913 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000119400109 1010162847 /nfs/dbraw/zinc/16/28/47/1010162847.db2.gz BQFDGDVNAYASAD-UHFFFAOYSA-N 1 0 357.429 2.596 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C)cc1C ZINC001093613230 1010374394 /nfs/dbraw/zinc/37/43/94/1010374394.db2.gz QWKGNLHQDJNHKC-VQIMIIECSA-N 1 0 353.466 2.897 20 10 FFCDRO COc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)c(O)c1OC ZINC001182368670 1010539605 /nfs/dbraw/zinc/53/96/05/1010539605.db2.gz GFXZBIWWNNTKAK-HNNXBMFYSA-N 1 0 360.410 2.620 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865604410 1010825416 /nfs/dbraw/zinc/82/54/16/1010825416.db2.gz WEJMFTRSEVCLHH-OXJNMPFZSA-N 1 0 357.502 2.552 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC000866521481 1011008398 /nfs/dbraw/zinc/00/83/98/1011008398.db2.gz JSZKKFMFIUQCSY-CQSZACIVSA-N 1 0 353.422 2.603 20 10 FFCDRO C[C@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1O ZINC000868216461 1011202347 /nfs/dbraw/zinc/20/23/47/1011202347.db2.gz XIVGPFIIFDBTAB-INIZCTEOSA-N 1 0 371.481 2.936 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(O)CCCCC1 ZINC000122253210 1011422686 /nfs/dbraw/zinc/42/26/86/1011422686.db2.gz GJNJCHAWWRHNGR-UHFFFAOYSA-N 1 0 371.525 2.530 20 10 FFCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796312815 1011818096 /nfs/dbraw/zinc/81/80/96/1011818096.db2.gz XPJSWBJCBZFJRN-FQEVSTJZSA-N 1 0 370.518 2.916 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccco4)C3)C2=O)cc1 ZINC001275196412 1012057840 /nfs/dbraw/zinc/05/78/40/1012057840.db2.gz ZCHZNFLCYWAVMP-NRFANRHFSA-N 1 0 353.466 2.970 20 10 FFCDRO O=C1N(CCCn2cccc2)CC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001275231727 1012112860 /nfs/dbraw/zinc/11/28/60/1012112860.db2.gz GDDNYIBQFAHPHK-OAQYLSRUSA-N 1 0 353.466 2.708 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CC2CCOCC2)C3=O)c1 ZINC001275238845 1012122765 /nfs/dbraw/zinc/12/27/65/1012122765.db2.gz LRAAUQOHGYXIRN-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO O=C1N(Cc2ncccn2)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)ccc1O ZINC001275254548 1012147449 /nfs/dbraw/zinc/14/74/49/1012147449.db2.gz SXVPNJMSGJGRTG-IBGZPJMESA-N 1 0 372.856 2.603 20 10 FFCDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172952365 1012161389 /nfs/dbraw/zinc/16/13/89/1012161389.db2.gz AXVAIQJUHMFAND-LBPRGKRZSA-N 1 0 352.431 2.516 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070499 1012238990 /nfs/dbraw/zinc/23/89/90/1012238990.db2.gz XRPGNKRULMOVHG-TZMCWYRMSA-N 1 0 364.442 2.658 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CC(=O)C(C)(C)C)C3=O)c(O)c1 ZINC001275385492 1012403673 /nfs/dbraw/zinc/40/36/73/1012403673.db2.gz HIQBYWOPNNGCGW-OAQYLSRUSA-N 1 0 358.482 2.883 20 10 FFCDRO O=C(CN1CCC([NH2+]Cc2ccccc2O)CC1)OCc1ccccc1 ZINC001173458198 1012631014 /nfs/dbraw/zinc/63/10/14/1012631014.db2.gz KXNZEAQQKMWGJZ-UHFFFAOYSA-N 1 0 354.450 2.690 20 10 FFCDRO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001275578214 1012638689 /nfs/dbraw/zinc/63/86/89/1012638689.db2.gz JCPFRBJMAVTXPC-KRWDZBQOSA-N 1 0 372.387 2.865 20 10 FFCDRO O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001275671695 1012815470 /nfs/dbraw/zinc/81/54/70/1012815470.db2.gz JXBUCRNCSGEPMS-AWEZNQCLSA-N 1 0 372.387 2.769 20 10 FFCDRO C[NH+](C)CCOc1ccc(CCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000828328212 1032668744 /nfs/dbraw/zinc/66/87/44/1032668744.db2.gz WAUACRBDLLKLJA-UHFFFAOYSA-N 1 0 354.450 2.808 20 10 FFCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924726348 1017450221 /nfs/dbraw/zinc/45/02/21/1017450221.db2.gz NDKQMEUTPOMSHH-WMZOPIPTSA-N 1 0 352.482 2.504 20 10 FFCDRO C[C@H]1CCC[N@H+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925284191 1017693077 /nfs/dbraw/zinc/69/30/77/1017693077.db2.gz XEMIMKQJMIGLCM-INIZCTEOSA-N 1 0 359.470 2.669 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925309576 1017701545 /nfs/dbraw/zinc/70/15/45/1017701545.db2.gz HYMNOMXCDYYBKZ-SFHVURJKSA-N 1 0 371.481 2.954 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000925402790 1017730220 /nfs/dbraw/zinc/73/02/20/1017730220.db2.gz CYMPMJKMTBWDAY-SFHVURJKSA-N 1 0 356.470 2.762 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H](C)[NH3+] ZINC000827365752 1017783005 /nfs/dbraw/zinc/78/30/05/1017783005.db2.gz WUAUDWPGVNFTLS-QCUYGVNKSA-N 1 0 365.493 2.675 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)cc(F)c1[O-] ZINC000925819733 1017860634 /nfs/dbraw/zinc/86/06/34/1017860634.db2.gz YRUBELZWRFKWKW-AWEZNQCLSA-N 1 0 361.436 2.926 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000827458495 1018116800 /nfs/dbraw/zinc/11/68/00/1018116800.db2.gz GFHXGCUUIXVXLU-ROUUACIJSA-N 1 0 359.514 2.760 20 10 FFCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926874614 1018276232 /nfs/dbraw/zinc/27/62/32/1018276232.db2.gz VVNCLXYBSOQZSO-INIZCTEOSA-N 1 0 352.482 2.504 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000827751140 1018638552 /nfs/dbraw/zinc/63/85/52/1018638552.db2.gz SKSOKYNWGVXUGA-ICSRJNTNSA-N 1 0 364.461 2.874 20 10 FFCDRO COC(=O)c1cncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000929969802 1019782800 /nfs/dbraw/zinc/78/28/00/1019782800.db2.gz DDDVAMBEMSIRLQ-SFHVURJKSA-N 1 0 356.422 2.755 20 10 FFCDRO c1cc(CO[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000930292498 1019966672 /nfs/dbraw/zinc/96/66/72/1019966672.db2.gz KKPBHDHTBWLCRH-NRFANRHFSA-N 1 0 353.466 2.709 20 10 FFCDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000800308836 1020205327 /nfs/dbraw/zinc/20/53/27/1020205327.db2.gz BINRDNQMNBFCLF-MJGOQNOKSA-N 1 0 374.506 2.867 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)OCO2 ZINC000725850133 1020269395 /nfs/dbraw/zinc/26/93/95/1020269395.db2.gz MEQSABNMNVFHRT-CQSZACIVSA-N 1 0 371.311 2.843 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000726705330 1020510219 /nfs/dbraw/zinc/51/02/19/1020510219.db2.gz HZFFNSQOPPPDCP-MJGOQNOKSA-N 1 0 372.513 2.590 20 10 FFCDRO COC(=O)C1=C[C@H](OCc2ccc(N)cc2)C[N@H+](Cc2ccccc2)C1 ZINC001217928913 1032907963 /nfs/dbraw/zinc/90/79/63/1032907963.db2.gz CUKUFSDAIPVOLO-FQEVSTJZSA-N 1 0 352.434 2.769 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1C ZINC000800899264 1020633359 /nfs/dbraw/zinc/63/33/59/1020633359.db2.gz JMYZHUNFJHYLNS-SFHVURJKSA-N 1 0 354.450 2.779 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOCC1 ZINC000933880611 1021107855 /nfs/dbraw/zinc/10/78/55/1021107855.db2.gz DHZBICKPZLHCFP-ZDUSSCGKSA-N 1 0 367.417 2.572 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218061704 1032975508 /nfs/dbraw/zinc/97/55/08/1032975508.db2.gz QHOCTICNENIGCQ-STQMWFEESA-N 1 0 351.402 2.995 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(NC(=O)c3cc(C)on3)CC2)cc1 ZINC001116808526 1021429535 /nfs/dbraw/zinc/42/95/35/1021429535.db2.gz TYYFODZXYPNGCM-UHFFFAOYSA-N 1 0 356.470 2.834 20 10 FFCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001118737853 1022376390 /nfs/dbraw/zinc/37/63/90/1022376390.db2.gz OBOISSQRDJULHX-HXUWFJFHSA-N 1 0 359.514 2.528 20 10 FFCDRO C[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218212775 1033049427 /nfs/dbraw/zinc/04/94/27/1033049427.db2.gz GAGMYSIEBHCVNY-ZDUSSCGKSA-N 1 0 371.393 2.873 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC3(CCCC3)CC1)cc2=O ZINC000158367842 1022504549 /nfs/dbraw/zinc/50/45/49/1022504549.db2.gz OSFUGAJIEIYDLE-UHFFFAOYSA-N 1 0 358.442 2.768 20 10 FFCDRO COc1c(C)c(O[C@H]2CCC23C[NH2+]C3)cc2c1C(=O)c1ccccc1C2=O ZINC001218239887 1033066717 /nfs/dbraw/zinc/06/67/17/1033066717.db2.gz ACNZNRVBXPLSFX-KRWDZBQOSA-N 1 0 363.413 2.910 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CCC3(C[NH2+]C3)C1)C(=O)c1ccccc1C2=O ZINC001218237792 1033062617 /nfs/dbraw/zinc/06/26/17/1033062617.db2.gz LFRSAXSTLVFOGN-CYBMUJFWSA-N 1 0 363.413 2.992 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609294 1033071763 /nfs/dbraw/zinc/07/17/63/1033071763.db2.gz MPZMLUAWJBJNKD-HXUWFJFHSA-N 1 0 351.494 2.950 20 10 FFCDRO Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000751011973 1022744302 /nfs/dbraw/zinc/74/43/02/1022744302.db2.gz NZKTYWWSUFAJNO-UHFFFAOYSA-N 1 0 370.501 2.846 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(Oc4ccccc4)CC3)cc2)CC1 ZINC001119440378 1022768182 /nfs/dbraw/zinc/76/81/82/1022768182.db2.gz IQUVCTAKXYANIG-UHFFFAOYSA-N 1 0 365.477 2.666 20 10 FFCDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000752074735 1023049320 /nfs/dbraw/zinc/04/93/20/1023049320.db2.gz GWAFSKVLMBSKLJ-NQIIRXRSSA-N 1 0 361.530 2.846 20 10 FFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001119935962 1023170705 /nfs/dbraw/zinc/17/07/05/1023170705.db2.gz LHNVHNZWABZSCX-GDBMZVCRSA-N 1 0 364.486 2.926 20 10 FFCDRO C[C@@H](NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC001120584186 1023370646 /nfs/dbraw/zinc/37/06/46/1023370646.db2.gz ZCTNCEAHRZXJBU-UTKZUKDTSA-N 1 0 372.513 2.512 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCOCC2)cc1 ZINC000753732285 1023374112 /nfs/dbraw/zinc/37/41/12/1023374112.db2.gz QIFTXSXIPHUZHU-CQSZACIVSA-N 1 0 352.438 2.956 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1F ZINC000754037940 1023417408 /nfs/dbraw/zinc/41/74/08/1023417408.db2.gz HQYDCBWWIIMSCQ-OAGGEKHMSA-N 1 0 363.477 2.744 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+]CCC13CC3)C(=O)c1ccccc1C2=O ZINC001218403802 1033139724 /nfs/dbraw/zinc/13/97/24/1033139724.db2.gz KWCZBEKSHWYNSH-KRWDZBQOSA-N 1 0 363.413 2.997 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(O)c1C ZINC000756362835 1023701386 /nfs/dbraw/zinc/70/13/86/1023701386.db2.gz NQITWRADRHFTSU-OAHLLOKOSA-N 1 0 359.470 2.914 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000756458093 1023714198 /nfs/dbraw/zinc/71/41/98/1023714198.db2.gz TWYLHGAQJLLLGZ-HOCLYGCPSA-N 1 0 370.449 2.676 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756480425 1023717311 /nfs/dbraw/zinc/71/73/11/1023717311.db2.gz WNHUXQDFPMIELY-MLGOLLRUSA-N 1 0 358.413 2.994 20 10 FFCDRO O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218479358 1033172020 /nfs/dbraw/zinc/17/20/20/1033172020.db2.gz KDRQCDZVRIJBCM-RVWIWJKTSA-N 1 0 366.461 2.997 20 10 FFCDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)NCCCSc1nccs1 ZINC001121876695 1024126364 /nfs/dbraw/zinc/12/63/64/1024126364.db2.gz VYVYFGVZWAPVJK-QGZVFWFLSA-N 1 0 363.508 2.551 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CSCCN1Cc1ccccc1)OCO2 ZINC000758480789 1024134240 /nfs/dbraw/zinc/13/42/40/1024134240.db2.gz MYSASGJEHCENLG-KRWDZBQOSA-N 1 0 372.490 2.828 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C3(C4CC[NH2+]CC4)CC3)CC2)cc1 ZINC001121987900 1024238145 /nfs/dbraw/zinc/23/81/45/1024238145.db2.gz DXRHHLRVFALJFF-UHFFFAOYSA-N 1 0 357.498 2.514 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000758716134 1024262103 /nfs/dbraw/zinc/26/21/03/1024262103.db2.gz JNRDLCWUJRXRPI-HKUYNNGSSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000759172018 1024504179 /nfs/dbraw/zinc/50/41/79/1024504179.db2.gz PBBLTVICIUHMNH-MSOLQXFVSA-N 1 0 359.514 2.760 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CC(C)C)C1)cc2=O ZINC000759390513 1024592514 /nfs/dbraw/zinc/59/25/14/1024592514.db2.gz GCNQSSWTJIPKOL-AWEZNQCLSA-N 1 0 360.458 2.870 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000085395154 1025194238 /nfs/dbraw/zinc/19/42/38/1025194238.db2.gz XGRLQIZSFAXZSS-ZWOKBUDYSA-N 1 0 374.529 2.566 20 10 FFCDRO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000088506534 1025416834 /nfs/dbraw/zinc/41/68/34/1025416834.db2.gz NXUVPQYPEAMKEB-QGZVFWFLSA-N 1 0 367.493 2.674 20 10 FFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141139964 1025507900 /nfs/dbraw/zinc/50/79/00/1025507900.db2.gz GDUKRXXLNMCBRW-UHFFFAOYSA-N 1 0 352.434 2.860 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCCN(C(=O)c4ccccc4)CC3)ccc21 ZINC001141145603 1025521922 /nfs/dbraw/zinc/52/19/22/1025521922.db2.gz WXUUSQCGZICYTG-UHFFFAOYSA-N 1 0 365.477 2.863 20 10 FFCDRO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141146219 1025522798 /nfs/dbraw/zinc/52/27/98/1025522798.db2.gz OURYAHHPZFYFNS-KRWDZBQOSA-N 1 0 354.454 2.657 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c1 ZINC001141157645 1025539120 /nfs/dbraw/zinc/53/91/20/1025539120.db2.gz LAUTYSWDDAPGLT-PZJWPPBQSA-N 1 0 370.449 2.833 20 10 FFCDRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141158285 1025539263 /nfs/dbraw/zinc/53/92/63/1025539263.db2.gz XGKDHWIZIBIAGL-OAQYLSRUSA-N 1 0 370.424 2.862 20 10 FFCDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141159123 1025540422 /nfs/dbraw/zinc/54/04/22/1025540422.db2.gz ZZMKHSREPQBSHJ-JOCHJYFZSA-N 1 0 364.445 2.998 20 10 FFCDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cc(O)ccc2O)cs1 ZINC001141160292 1025543182 /nfs/dbraw/zinc/54/31/82/1025543182.db2.gz TZLPVHBNPKLKBW-IAGOWNOFSA-N 1 0 373.478 2.628 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000839510088 1026707626 /nfs/dbraw/zinc/70/76/26/1026707626.db2.gz WMGGQXTWNBHSNZ-FQEVSTJZSA-N 1 0 353.466 2.912 20 10 FFCDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839627612 1026766274 /nfs/dbraw/zinc/76/62/74/1026766274.db2.gz BDYLPMXXHUUNOC-IRLDBZIGSA-N 1 0 367.493 2.613 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccnc(F)c1 ZINC000092126530 1027228581 /nfs/dbraw/zinc/22/85/81/1027228581.db2.gz VARLYEFOWWQCMD-UHFFFAOYSA-N 1 0 368.456 2.683 20 10 FFCDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000092506641 1027350299 /nfs/dbraw/zinc/35/02/99/1027350299.db2.gz BPALPLNZQNTDNT-KNKQGSTJSA-N 1 0 373.541 2.597 20 10 FFCDRO COC(=O)c1cnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cn1 ZINC001155629364 1028824137 /nfs/dbraw/zinc/82/41/37/1028824137.db2.gz GHKMXBRBTHEFSM-IXIUHKBRSA-N 1 0 368.481 2.663 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccccc2O)[C@@H](c2cnn(C)c2)C1 ZINC000827960225 1028876361 /nfs/dbraw/zinc/87/63/61/1028876361.db2.gz LCBFALZMYWZGDV-ZYSHUDEJSA-N 1 0 370.497 2.817 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc4c(nn3)CCC4)CC2)cc1 ZINC001156263167 1029118479 /nfs/dbraw/zinc/11/84/79/1029118479.db2.gz PQCLPQWCPPTKSW-UHFFFAOYSA-N 1 0 367.497 2.598 20 10 FFCDRO C[C@@H](NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000781372541 1029175400 /nfs/dbraw/zinc/17/54/00/1029175400.db2.gz OCOFUYYBHMLLPZ-IAGOWNOFSA-N 1 0 372.513 2.534 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccn4cncc34)CC2)cc1 ZINC001164336349 1029250055 /nfs/dbraw/zinc/25/00/55/1029250055.db2.gz YSGMZPFHUZSUHV-UHFFFAOYSA-N 1 0 365.481 2.967 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(-c4ccncc4)ncn3)cc2)CC1 ZINC001156660393 1029292674 /nfs/dbraw/zinc/29/26/74/1029292674.db2.gz WJPJUTVSXPIERN-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO CCCNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156658597 1029294123 /nfs/dbraw/zinc/29/41/23/1029294123.db2.gz WYELWFYKGQONEC-UHFFFAOYSA-N 1 0 367.497 2.585 20 10 FFCDRO Cc1ccc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)cn1 ZINC000783020320 1029880291 /nfs/dbraw/zinc/88/02/91/1029880291.db2.gz OCAQSIFFDYTVPB-UHFFFAOYSA-N 1 0 366.509 2.952 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000840932593 1029931959 /nfs/dbraw/zinc/93/19/59/1029931959.db2.gz BCCYTPTYYHFJEG-QFIPXVFZSA-N 1 0 353.510 2.788 20 10 FFCDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841046184 1030001042 /nfs/dbraw/zinc/00/10/42/1030001042.db2.gz XMWWPAJYONQTEW-FOIQADDNSA-N 1 0 370.497 2.768 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3cccc(OCC[NH3+])c3)ccc21 ZINC000841288517 1030163439 /nfs/dbraw/zinc/16/34/39/1030163439.db2.gz OTQXHYWCKSKLPL-UHFFFAOYSA-N 1 0 354.454 2.728 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000841314858 1030186541 /nfs/dbraw/zinc/18/65/41/1030186541.db2.gz ZYARUUACBQSOAJ-UHFFFAOYSA-N 1 0 354.454 2.564 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321225 1030193256 /nfs/dbraw/zinc/19/32/56/1030193256.db2.gz DASUKNSDZFQFAW-UHFFFAOYSA-N 1 0 352.438 2.633 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326906 1030200449 /nfs/dbraw/zinc/20/04/49/1030200449.db2.gz ALQUGSUJQHLUCB-NSHDSACASA-N 1 0 359.401 2.635 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000841693600 1030408745 /nfs/dbraw/zinc/40/87/45/1030408745.db2.gz GQXDWDNBFXHIHM-UHFFFAOYSA-N 1 0 364.486 2.861 20 10 FFCDRO CN(c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1)C1CCCCC1 ZINC000841760172 1030448497 /nfs/dbraw/zinc/44/84/97/1030448497.db2.gz RLZGGNAPTHDYLR-HXUWFJFHSA-N 1 0 374.529 2.633 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)ccc21 ZINC000841761007 1030449991 /nfs/dbraw/zinc/44/99/91/1030449991.db2.gz ZWNKJVWVJKDFQH-LJQANCHMSA-N 1 0 356.514 2.743 20 10 FFCDRO Cc1ccc([C@@H](CNC(=O)NCCc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC000841775953 1030458226 /nfs/dbraw/zinc/45/82/26/1030458226.db2.gz YQDUHQJEMGLHAO-GOSISDBHSA-N 1 0 356.470 2.849 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000841796536 1030471863 /nfs/dbraw/zinc/47/18/63/1030471863.db2.gz QCORSHSGKBCTPP-GVDBMIGSSA-N 1 0 362.493 2.859 20 10 FFCDRO CC[NH2+]CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843887 1030498862 /nfs/dbraw/zinc/49/88/62/1030498862.db2.gz OBMUAGUVANQFDJ-CQSZACIVSA-N 1 0 370.444 2.556 20 10 FFCDRO CN(C)C(=O)c1ccccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000841876182 1030515674 /nfs/dbraw/zinc/51/56/74/1030515674.db2.gz XDYOTYWFJVBEFO-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(O)c(C(C)(C)C)c1 ZINC001203352438 1030678231 /nfs/dbraw/zinc/67/82/31/1030678231.db2.gz VQAFZCDTNQDPDZ-HNNXBMFYSA-N 1 0 350.503 2.633 20 10 FFCDRO Cc1cc(C(=O)CN2CCCO[C@H](C[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000842479244 1030752461 /nfs/dbraw/zinc/75/24/61/1030752461.db2.gz RBNOAUNAWHRIRY-LJQANCHMSA-N 1 0 355.482 2.635 20 10 FFCDRO O=C(c1ccsc1)N1CCO[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]2C1 ZINC001203552113 1030760425 /nfs/dbraw/zinc/76/04/25/1030760425.db2.gz BBRBBXTZBKAWJE-VQIMIIECSA-N 1 0 372.490 2.817 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c1O ZINC001203592100 1030776595 /nfs/dbraw/zinc/77/65/95/1030776595.db2.gz CUISSCBCAYPIQW-MJGOQNOKSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c1O ZINC001203594152 1030777246 /nfs/dbraw/zinc/77/72/46/1030777246.db2.gz SXIJXJDUJNFEON-UHFFFAOYSA-N 1 0 370.497 2.765 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c(O)c1 ZINC001203630832 1030795919 /nfs/dbraw/zinc/79/59/19/1030795919.db2.gz XASNHPXMXGYUEA-UHFFFAOYSA-N 1 0 370.497 2.765 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001203656367 1030810773 /nfs/dbraw/zinc/81/07/73/1030810773.db2.gz ORIQAZGWNVJKAG-YQVWRLOYSA-N 1 0 367.873 2.688 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001203659111 1030815549 /nfs/dbraw/zinc/81/55/49/1030815549.db2.gz RXDBLUBTFPPDIV-RDTXWAMCSA-N 1 0 374.872 2.563 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001203673123 1030820629 /nfs/dbraw/zinc/82/06/29/1030820629.db2.gz NOJWMGXTNFDGRJ-PZJWPPBQSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)c1 ZINC001203673359 1030821187 /nfs/dbraw/zinc/82/11/87/1030821187.db2.gz WIACLRBDJWSDPT-ICSRJNTNSA-N 1 0 366.461 2.800 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000842635113 1030860283 /nfs/dbraw/zinc/86/02/83/1030860283.db2.gz JICUJYSMMVSDSL-KRWDZBQOSA-N 1 0 354.450 2.848 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1C ZINC000842723373 1030925726 /nfs/dbraw/zinc/92/57/26/1030925726.db2.gz XPAYFWYKHQBUMJ-SFHVURJKSA-N 1 0 357.473 2.895 20 10 FFCDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203876403 1030950253 /nfs/dbraw/zinc/95/02/53/1030950253.db2.gz CXVMYURVHXXYQU-UHFFFAOYSA-N 1 0 366.461 2.895 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879600 1030956151 /nfs/dbraw/zinc/95/61/51/1030956151.db2.gz UMARAZSGDIGKAJ-NRFANRHFSA-N 1 0 367.449 2.508 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)cc1 ZINC001203933113 1030993433 /nfs/dbraw/zinc/99/34/33/1030993433.db2.gz HPBVEFGAHPAQDA-DUXKGJEZSA-N 1 0 371.525 2.648 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)c(C(F)(F)F)c1 ZINC000843123033 1031191488 /nfs/dbraw/zinc/19/14/88/1031191488.db2.gz XXKQYILUANSNRE-INIZCTEOSA-N 1 0 367.419 2.651 20 10 FFCDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(O)cc4O)CC[N@@H+]3C2)cc1 ZINC001204274412 1031202544 /nfs/dbraw/zinc/20/25/44/1031202544.db2.gz AFCSHROVMTWCNS-PXNSSMCTSA-N 1 0 354.450 2.744 20 10 FFCDRO COc1ccc(CC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C[C@@H](C)O)cc1 ZINC001204341720 1031237705 /nfs/dbraw/zinc/23/77/05/1031237705.db2.gz FTFMEFGFWKNJJW-CQSZACIVSA-N 1 0 361.438 2.541 20 10 FFCDRO COc1cccc(/C(C)=C/C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299528 1031298831 /nfs/dbraw/zinc/29/88/31/1031298831.db2.gz XIOJQVRKELTYJI-IURSYISVSA-N 1 0 353.466 2.981 20 10 FFCDRO COC(=O)c1c(CN2CC[NH+](CC3CC3)CC2)c2cc(F)ccc2n1C ZINC001204471442 1031304091 /nfs/dbraw/zinc/30/40/91/1031304091.db2.gz HVAQUDBYFFPKBU-UHFFFAOYSA-N 1 0 359.445 2.632 20 10 FFCDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000798144043 1031317548 /nfs/dbraw/zinc/31/75/48/1031317548.db2.gz SUQMLFIKOTUFBI-IBGZPJMESA-N 1 0 357.498 2.917 20 10 FFCDRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350874 1031342104 /nfs/dbraw/zinc/34/21/04/1031342104.db2.gz ZYFIMGNLTZTLKW-CQSZACIVSA-N 1 0 366.465 2.884 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000843429070 1031398361 /nfs/dbraw/zinc/39/83/61/1031398361.db2.gz RECTUZYIOSIGPX-KRWDZBQOSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1cc(O)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(Br)c1 ZINC001205788964 1031995537 /nfs/dbraw/zinc/99/55/37/1031995537.db2.gz UHDQEWRLPUEUCL-VIFPVBQESA-N 1 0 365.218 2.579 20 10 FFCDRO CC(=O)[C@@H](C)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276900841 1033498643 /nfs/dbraw/zinc/49/86/43/1033498643.db2.gz NNSDPLVNMNAPNL-IIBYNOLFSA-N 1 0 357.498 2.687 20 10 FFCDRO C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 ZINC000830202359 1033506640 /nfs/dbraw/zinc/50/66/40/1033506640.db2.gz PPPHZXTWKNSDLY-AWEZNQCLSA-N 1 0 366.465 2.660 20 10 FFCDRO CC(=O)N1CCC2(CC1)C[N@H+](Cc1c(C)n(C)c3ccccc31)CCO2 ZINC001138255376 1034023792 /nfs/dbraw/zinc/02/37/92/1034023792.db2.gz FAVHIYZZOWLHTD-UHFFFAOYSA-N 1 0 355.482 2.700 20 10 FFCDRO Cc1c(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c2ccccc2n1C ZINC001138257169 1034026952 /nfs/dbraw/zinc/02/69/52/1034026952.db2.gz YUIOVVXEODATLB-UHFFFAOYSA-N 1 0 367.493 2.890 20 10 FFCDRO COc1cccc([C@H]2[C@H](NC(=O)Cc3ccc(N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000831528499 1034112768 /nfs/dbraw/zinc/11/27/68/1034112768.db2.gz RJZDKQBTGNURFU-IRLDBZIGSA-N 1 0 365.477 2.914 20 10 FFCDRO O=C1NCCCC12CC[NH+](Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138340273 1034170614 /nfs/dbraw/zinc/17/06/14/1034170614.db2.gz RRIACOSEQXTBCT-UHFFFAOYSA-N 1 0 369.509 2.583 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(OC)c1 ZINC001138392058 1034226696 /nfs/dbraw/zinc/22/66/96/1034226696.db2.gz OHKSLPPKNMGJDP-QGZVFWFLSA-N 1 0 362.518 2.777 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748713 1034255552 /nfs/dbraw/zinc/25/55/52/1034255552.db2.gz KZEFEQACEUWTMD-OXQOHEQNSA-N 1 0 353.466 2.728 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000831748876 1034255792 /nfs/dbraw/zinc/25/57/92/1034255792.db2.gz QIJKBGHXMOFWDM-KZNAEPCWSA-N 1 0 359.514 2.664 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748478 1034256444 /nfs/dbraw/zinc/25/64/44/1034256444.db2.gz DDZBFYDUIZLPNZ-CSODHUTKSA-N 1 0 367.493 2.974 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000831749094 1034256823 /nfs/dbraw/zinc/25/68/23/1034256823.db2.gz XXTSIMSWHGWVEP-DLBZAZTESA-N 1 0 359.514 2.664 20 10 FFCDRO CC[C@@H](C)N1CC2(CN(Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277055287 1034311661 /nfs/dbraw/zinc/31/16/61/1034311661.db2.gz RFFFBNFDJAJYJD-OAHLLOKOSA-N 1 0 360.498 2.901 20 10 FFCDRO CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499099 1034338046 /nfs/dbraw/zinc/33/80/46/1034338046.db2.gz WEHPBZUZDCUMIZ-UHFFFAOYSA-N 1 0 371.525 2.748 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC001138499701 1034339764 /nfs/dbraw/zinc/33/97/64/1034339764.db2.gz FHTLPSORXDGTCQ-IEBWSBKVSA-N 1 0 373.497 2.574 20 10 FFCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138500295 1034342172 /nfs/dbraw/zinc/34/21/72/1034342172.db2.gz WIAAVLOOWVOGCW-IBGZPJMESA-N 1 0 369.465 2.580 20 10 FFCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138680529 1034540092 /nfs/dbraw/zinc/54/00/92/1034540092.db2.gz OKPXCGHUEUDWNY-DZGCQCFKSA-N 1 0 369.303 2.631 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000832266813 1034688539 /nfs/dbraw/zinc/68/85/39/1034688539.db2.gz JBJUCKTYFMTHCE-SFHVURJKSA-N 1 0 370.453 2.755 20 10 FFCDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266419 1034688635 /nfs/dbraw/zinc/68/86/35/1034688635.db2.gz FSODGIRFXDMGTF-QGZVFWFLSA-N 1 0 356.426 2.707 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000832279306 1034699141 /nfs/dbraw/zinc/69/91/41/1034699141.db2.gz IPSUPPGZYGCLHO-HXUWFJFHSA-N 1 0 353.466 2.971 20 10 FFCDRO Cc1nc2ccccc2n1CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286390 1034701889 /nfs/dbraw/zinc/70/18/89/1034701889.db2.gz ZEIIJPQAZQSZGO-SFHVURJKSA-N 1 0 365.481 2.617 20 10 FFCDRO CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258161 1035032276 /nfs/dbraw/zinc/03/22/76/1035032276.db2.gz MDUUZXUVQUBKSM-RHSMWYFYSA-N 1 0 364.486 2.626 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410900 1035095322 /nfs/dbraw/zinc/09/53/22/1035095322.db2.gz LAVGPZMAGFREAW-IBGZPJMESA-N 1 0 374.529 2.837 20 10 FFCDRO O=C(NC1CCC1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054065 1035324013 /nfs/dbraw/zinc/32/40/13/1035324013.db2.gz IRIPGWXNKGLJMQ-OAHLLOKOSA-N 1 0 362.445 2.571 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c1O ZINC001140181191 1035370980 /nfs/dbraw/zinc/37/09/80/1035370980.db2.gz PLJGFEHRRKIXOT-IYBDPMFKSA-N 1 0 362.470 2.829 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C4CCOCC4)s3)cc2)CC1 ZINC000834475541 1035394249 /nfs/dbraw/zinc/39/42/49/1035394249.db2.gz WMYVSRHIVACYRR-UHFFFAOYSA-N 1 0 373.526 2.796 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCN(Cc4ccco4)CC3)cc2)CC1 ZINC001140304209 1035426253 /nfs/dbraw/zinc/42/62/53/1035426253.db2.gz ISSXTZWGVBHCKO-UHFFFAOYSA-N 1 0 368.525 2.739 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCc4nc(Cl)ncc4C3)cc2)CC1 ZINC001140304464 1035426486 /nfs/dbraw/zinc/42/64/86/1035426486.db2.gz QUFQGBLWFSYJEC-UHFFFAOYSA-N 1 0 371.916 2.830 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC001140306031 1035427365 /nfs/dbraw/zinc/42/73/65/1035427365.db2.gz LGNDEWMBZGSHLY-QGZVFWFLSA-N 1 0 357.420 2.592 20 10 FFCDRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140340573 1035444576 /nfs/dbraw/zinc/44/45/76/1035444576.db2.gz YKHZMMGVTZSPGW-IEBWSBKVSA-N 1 0 364.873 2.553 20 10 FFCDRO O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140344970 1035446686 /nfs/dbraw/zinc/44/66/86/1035446686.db2.gz OICKPBFSHLTCAV-HUUCEWRRSA-N 1 0 357.841 2.645 20 10 FFCDRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4ccc(Cl)cc4O)C3)C2=O)cn1 ZINC001140464921 1035485699 /nfs/dbraw/zinc/48/56/99/1035485699.db2.gz FBJYDCHXMIRCRD-LJQANCHMSA-N 1 0 374.872 2.798 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001140467707 1035485924 /nfs/dbraw/zinc/48/59/24/1035485924.db2.gz VVFUKJBFDIVXSM-YQVWRLOYSA-N 1 0 360.841 2.857 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000835027950 1035489749 /nfs/dbraw/zinc/48/97/49/1035489749.db2.gz IRFFNPYMEYDQJH-DPZZJQGRSA-N 1 0 354.498 2.945 20 10 FFCDRO COc1ccc(C(=O)NCC[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000835035564 1035490761 /nfs/dbraw/zinc/49/07/61/1035490761.db2.gz KSCCOZURMWLVCZ-PLNGDYQASA-N 1 0 353.466 2.794 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000835035179 1035490822 /nfs/dbraw/zinc/49/08/22/1035490822.db2.gz GKNYBTJIHASNRC-HYXAFXHYSA-N 1 0 352.482 2.787 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000835041724 1035492619 /nfs/dbraw/zinc/49/26/19/1035492619.db2.gz ABPJWXUNYNJYNJ-LAQIPUCWSA-N 1 0 368.403 2.539 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203258 1035499297 /nfs/dbraw/zinc/49/92/97/1035499297.db2.gz RHGYJJBYBOVUPV-GOEBONIOSA-N 1 0 366.889 2.808 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000835081636 1035520963 /nfs/dbraw/zinc/52/09/63/1035520963.db2.gz ATAODWMPWIMIOY-OAHLLOKOSA-N 1 0 366.458 2.516 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3c(C)cc(C)cc3O)C2)OCC1=O ZINC001277204138 1035523794 /nfs/dbraw/zinc/52/37/94/1035523794.db2.gz DALYLEJTIMBZPY-OAQYLSRUSA-N 1 0 358.482 2.779 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001277212348 1035569451 /nfs/dbraw/zinc/56/94/51/1035569451.db2.gz ICLQDFGNASVXJI-OAQYLSRUSA-N 1 0 359.514 2.842 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c2ccccc2n1C ZINC001232400993 1035651249 /nfs/dbraw/zinc/65/12/49/1035651249.db2.gz OQIHSCVCDMADBS-NRFANRHFSA-N 1 0 369.465 2.552 20 10 FFCDRO COC(=O)c1c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001232403949 1035652165 /nfs/dbraw/zinc/65/21/65/1035652165.db2.gz GZPIUQCIEDJJST-AWEZNQCLSA-N 1 0 358.438 2.692 20 10 FFCDRO C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231863 1035670459 /nfs/dbraw/zinc/67/04/59/1035670459.db2.gz GSSFNRINMXZVDL-LJQANCHMSA-N 1 0 365.905 2.564 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001140620455 1035744929 /nfs/dbraw/zinc/74/49/29/1035744929.db2.gz OULGJGUNXMUAFZ-RXVVDRJESA-N 1 0 351.450 2.624 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)c1 ZINC001140620332 1035745375 /nfs/dbraw/zinc/74/53/75/1035745375.db2.gz KEDSPWFUGAXJMN-CEWLAPEOSA-N 1 0 371.481 2.736 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 ZINC001140621196 1035748272 /nfs/dbraw/zinc/74/82/72/1035748272.db2.gz QNEFQKQSACVCMU-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)[C@H]1Cc1ccccc1 ZINC001140663037 1035816407 /nfs/dbraw/zinc/81/64/07/1035816407.db2.gz PWFANCXUQFUDDH-FCHUYYIVSA-N 1 0 370.468 2.840 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001140663703 1035816632 /nfs/dbraw/zinc/81/66/32/1035816632.db2.gz MQQQYGPJKQMAKM-UHFFFAOYSA-N 1 0 369.431 2.578 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664816 1035820437 /nfs/dbraw/zinc/82/04/37/1035820437.db2.gz SXNWWVJIYVDXGZ-FQEVSTJZSA-N 1 0 364.461 2.828 20 10 FFCDRO C[N@@H+]1CC[C@H](Oc2cc(O)cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186016 1035980766 /nfs/dbraw/zinc/98/07/66/1035980766.db2.gz NAJDDRYHIOSWSQ-GUYCJALGSA-N 1 0 371.389 2.593 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001140747554 1036044468 /nfs/dbraw/zinc/04/44/68/1036044468.db2.gz FWCZMZQINWOBFD-SJORKVTESA-N 1 0 359.397 2.934 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1O ZINC001140748083 1036046488 /nfs/dbraw/zinc/04/64/88/1036046488.db2.gz GASYYXWWEXLIMI-SZVBFZGTSA-N 1 0 370.449 2.860 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c1O ZINC001140749875 1036052769 /nfs/dbraw/zinc/05/27/69/1036052769.db2.gz OUPVCCZNFKZIAU-UHFFFAOYSA-N 1 0 352.434 2.857 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 ZINC001232834046 1036086309 /nfs/dbraw/zinc/08/63/09/1036086309.db2.gz FJTQVYYYVYWYLN-UHFFFAOYSA-N 1 0 369.465 2.505 20 10 FFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232834943 1036088368 /nfs/dbraw/zinc/08/83/68/1036088368.db2.gz RJFQEYWISFCUAQ-UHFFFAOYSA-N 1 0 361.486 2.903 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c(O)c1 ZINC001232839420 1036095782 /nfs/dbraw/zinc/09/57/82/1036095782.db2.gz JLVRYNLNKKOCLR-UHFFFAOYSA-N 1 0 368.437 2.907 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001232978296 1036209159 /nfs/dbraw/zinc/20/91/59/1036209159.db2.gz BTFRCBQFMKZRFX-UHFFFAOYSA-N 1 0 373.234 2.999 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@]2(CC(=O)N(C3CCCC3)C2)C1 ZINC001277317576 1036222775 /nfs/dbraw/zinc/22/27/75/1036222775.db2.gz DAQOUWAWMYBICQ-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cc(C)n[nH]4)C3)C2)cc1 ZINC001203073429 1036356908 /nfs/dbraw/zinc/35/69/08/1036356908.db2.gz ZXDBSCUJWVSVTI-OAQYLSRUSA-N 1 0 370.497 2.846 20 10 FFCDRO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000836256812 1036365097 /nfs/dbraw/zinc/36/50/97/1036365097.db2.gz UXXAXOLANJTVMJ-QGZVFWFLSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@H](n3cncn3)C2)cc1Br ZINC001233140480 1036386623 /nfs/dbraw/zinc/38/66/23/1036386623.db2.gz IVCXJIUIVCMKDB-LBPRGKRZSA-N 1 0 367.247 2.592 20 10 FFCDRO CCCOc1cccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001536523549 1069997668 /nfs/dbraw/zinc/99/76/68/1069997668.db2.gz IQVRXSKRDUYCJP-UHFFFAOYSA-N 1 0 368.481 2.552 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c2ccccc2n1C ZINC001233272310 1036478383 /nfs/dbraw/zinc/47/83/83/1036478383.db2.gz GJLKUJROTPGMNN-HNNXBMFYSA-N 1 0 367.453 2.784 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c1O ZINC001233289594 1036495698 /nfs/dbraw/zinc/49/56/98/1036495698.db2.gz BJSAVGSBAASODZ-ZMSDIMECSA-N 1 0 353.846 2.680 20 10 FFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233333927 1036541117 /nfs/dbraw/zinc/54/11/17/1036541117.db2.gz MWGZNRATEJVLLP-UHFFFAOYSA-N 1 0 350.413 2.723 20 10 FFCDRO COC[C@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140949424 1036544327 /nfs/dbraw/zinc/54/43/27/1036544327.db2.gz AYXWCHNZDZMXOY-IBGZPJMESA-N 1 0 372.509 2.798 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c(O)c1 ZINC001140952281 1036556737 /nfs/dbraw/zinc/55/67/37/1036556737.db2.gz LDIADESEQBDHIK-TZIWHRDSSA-N 1 0 367.449 2.715 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001233482766 1036648407 /nfs/dbraw/zinc/64/84/07/1036648407.db2.gz BGKWKDKNHGLFAD-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(O)c(O)cc4O)C[C@H]3O2)n1 ZINC001233483591 1036651528 /nfs/dbraw/zinc/65/15/28/1036651528.db2.gz FPMLSDUMYJSOLY-YMRXKLBXSA-N 1 0 362.451 2.920 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cc1O ZINC001233484474 1036653657 /nfs/dbraw/zinc/65/36/57/1036653657.db2.gz LTKBUJLPHNMKKN-QRWLVFNGSA-N 1 0 356.422 2.880 20 10 FFCDRO CC[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233486318 1036656296 /nfs/dbraw/zinc/65/62/96/1036656296.db2.gz IMUFGMBPHRYNMA-CYBMUJFWSA-N 1 0 352.431 2.635 20 10 FFCDRO CCN1CC(Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001233515707 1036667512 /nfs/dbraw/zinc/66/75/12/1036667512.db2.gz RDRDFEQCSNBHBF-UHFFFAOYSA-N 1 0 361.486 2.827 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCc2ccco2)[NH+](C)C)cc1 ZINC001233717980 1036731072 /nfs/dbraw/zinc/73/10/72/1036731072.db2.gz KLJYSQOWVDSBSV-IBGZPJMESA-N 1 0 358.486 2.880 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)c(OC)c1 ZINC001141031769 1036774956 /nfs/dbraw/zinc/77/49/56/1036774956.db2.gz KLRXCDZMUMSDJU-UHFFFAOYSA-N 1 0 361.417 2.656 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141030620 1036775041 /nfs/dbraw/zinc/77/50/41/1036775041.db2.gz DOTGEYHGEVHKME-DOMZBBRYSA-N 1 0 366.458 2.754 20 10 FFCDRO CCOC(=O)C1(CC)CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141030569 1036775667 /nfs/dbraw/zinc/77/56/67/1036775667.db2.gz CAYRUTUPRFIZMY-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4ccccc4n(C)c3=O)C2)cc1 ZINC001203090959 1036913303 /nfs/dbraw/zinc/91/33/03/1036913303.db2.gz ZAKQEWZVSZFCFD-GOSISDBHSA-N 1 0 363.461 2.916 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c(O)c(OC)c1 ZINC001277422922 1036920406 /nfs/dbraw/zinc/92/04/06/1036920406.db2.gz WCECDTMDPVSYMC-IAGOWNOFSA-N 1 0 362.470 2.631 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141077809 1036928900 /nfs/dbraw/zinc/92/89/00/1036928900.db2.gz AIHCMLDUZBENJM-UHFFFAOYSA-N 1 0 353.510 2.972 20 10 FFCDRO COc1c(O[C@@H](C)C[NH+](C)C)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234129781 1036931597 /nfs/dbraw/zinc/93/15/97/1036931597.db2.gz KHCXXVCNBZYFJT-LBPRGKRZSA-N 1 0 369.417 2.814 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c(C)cc1O)CC2 ZINC001277427968 1036958117 /nfs/dbraw/zinc/95/81/17/1036958117.db2.gz ZRKWIZVGTDJFHZ-CYBMUJFWSA-N 1 0 367.287 2.811 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC3)CC(=O)NC(=O)C4)c2c1 ZINC001234562893 1037090488 /nfs/dbraw/zinc/09/04/88/1037090488.db2.gz XBYIUGDXBBUCDA-UHFFFAOYSA-N 1 0 368.433 2.573 20 10 FFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1c(O)ccc3ccc(OC)cc31)C2 ZINC001234562553 1037091566 /nfs/dbraw/zinc/09/15/66/1037091566.db2.gz PREVVCTXPWWCRK-GOSISDBHSA-N 1 0 371.433 2.566 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC4(CC3)N=C(C)N(C)C4=O)c2c1 ZINC001234568884 1037093594 /nfs/dbraw/zinc/09/35/94/1037093594.db2.gz GRALSBIZVZNTST-UHFFFAOYSA-N 1 0 367.449 2.779 20 10 FFCDRO CC(C)=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(N(C)C)cc2O)C1=O ZINC001277944140 1037539875 /nfs/dbraw/zinc/53/98/75/1037539875.db2.gz WGVOVZILRDRJRM-OAQYLSRUSA-N 1 0 357.498 2.991 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c(O)c1 ZINC001277944678 1037543382 /nfs/dbraw/zinc/54/33/82/1037543382.db2.gz XBVNZEXTYIFHOA-LJQANCHMSA-N 1 0 367.440 2.680 20 10 FFCDRO COc1ccc(Br)c(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC001231550818 1037675225 /nfs/dbraw/zinc/67/52/25/1037675225.db2.gz RVCOKBIMWJVPEJ-UHFFFAOYSA-N 1 0 358.232 2.502 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C(C)(C)C)cc2O)O1 ZINC001235681572 1037678969 /nfs/dbraw/zinc/67/89/69/1037678969.db2.gz ARCVKMTWROCJRG-QRQLOZEOSA-N 1 0 360.498 2.946 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231555898 1037679852 /nfs/dbraw/zinc/67/98/52/1037679852.db2.gz UJCRFTCHKHZCGE-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO CC[NH+]1C[C@@H]2CN(Cc3c(Br)ccc(OC)c3O)C[C@H]2C1 ZINC001231555967 1037680152 /nfs/dbraw/zinc/68/01/52/1037680152.db2.gz VPWQYLGUYLURLX-VXGBXAGGSA-N 1 0 355.276 2.547 20 10 FFCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]21 ZINC001231588611 1037707909 /nfs/dbraw/zinc/70/79/09/1037707909.db2.gz YTUCEWPXSANPHH-POAQFYNOSA-N 1 0 368.477 2.764 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231590874 1037708753 /nfs/dbraw/zinc/70/87/53/1037708753.db2.gz OXCXDKABDMFVNM-UHFFFAOYSA-N 1 0 365.433 2.977 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)c1O ZINC001231592262 1037712259 /nfs/dbraw/zinc/71/22/59/1037712259.db2.gz PKCOHYMAGUNGPG-UHFFFAOYSA-N 1 0 372.444 2.501 20 10 FFCDRO Fc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001235734988 1037717763 /nfs/dbraw/zinc/71/77/63/1037717763.db2.gz GWQNWSCLRVMASC-OAQYLSRUSA-N 1 0 373.447 2.948 20 10 FFCDRO COc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(O)cc1O ZINC001231636553 1037757768 /nfs/dbraw/zinc/75/77/68/1037757768.db2.gz XYJMEAKTCQIKTK-SJLPKXTDSA-N 1 0 354.450 2.813 20 10 FFCDRO CC[N@H+](Cc1cc(OC)c(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231637611 1037758820 /nfs/dbraw/zinc/75/88/20/1037758820.db2.gz OGWZRPQBEKECLR-CQSZACIVSA-N 1 0 366.458 2.938 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[NH2+]C[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC001235818794 1037768159 /nfs/dbraw/zinc/76/81/59/1037768159.db2.gz QCZZRVDVJDOAGF-SFHVURJKSA-N 1 0 374.868 2.908 20 10 FFCDRO Cc1ccc2oc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2n1 ZINC001536924062 1070087093 /nfs/dbraw/zinc/08/70/93/1070087093.db2.gz BHCLPRPBMXEXHP-UHFFFAOYSA-N 1 0 364.449 2.818 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)c(O)c1 ZINC001231843997 1037939792 /nfs/dbraw/zinc/93/97/92/1037939792.db2.gz DFRHKEUEIFORSJ-YFVAEKQCSA-N 1 0 372.509 2.905 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c(O)c1 ZINC001231844548 1037944402 /nfs/dbraw/zinc/94/44/02/1037944402.db2.gz MHABXWSQCSIMKX-UHFFFAOYSA-N 1 0 356.470 2.933 20 10 FFCDRO CCC[C@H]1CN(Cc2ccc(I)cc2O)CC[NH2+]1 ZINC001236179119 1037968774 /nfs/dbraw/zinc/96/87/74/1037968774.db2.gz QKHYPRIWMROSAF-ZDUSSCGKSA-N 1 0 360.239 2.571 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc3ccccc3c2O)O1 ZINC001231881095 1037975529 /nfs/dbraw/zinc/97/55/29/1037975529.db2.gz UFCRKZROPAAHOD-AQNXPRMDSA-N 1 0 366.461 2.803 20 10 FFCDRO CN(Cc1cccc(I)c1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205511 1037982743 /nfs/dbraw/zinc/98/27/43/1037982743.db2.gz FWDJOLPBCHFQDV-CQSZACIVSA-N 1 0 360.239 2.571 20 10 FFCDRO CCCCN1CC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001276553903 1038017257 /nfs/dbraw/zinc/01/72/57/1038017257.db2.gz XMGKUHLSEQVOBS-FQEVSTJZSA-N 1 0 362.470 2.808 20 10 FFCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001255557210 1038017971 /nfs/dbraw/zinc/01/79/71/1038017971.db2.gz MOJJXQINPCRTGM-INIZCTEOSA-N 1 0 363.502 2.868 20 10 FFCDRO CC[N@H+](CCn1cccn1)Cc1cc(OC)c(Br)cc1O ZINC001236757843 1038244335 /nfs/dbraw/zinc/24/43/35/1038244335.db2.gz YNSXZDBZCQFATD-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1OC ZINC001236758417 1038245324 /nfs/dbraw/zinc/24/53/24/1038245324.db2.gz WYUFIYOMGMPCPN-HOTGVXAUSA-N 1 0 352.450 2.808 20 10 FFCDRO COCCN1CC[NH+](Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236778693 1038263550 /nfs/dbraw/zinc/26/35/50/1038263550.db2.gz LRKXCRZRBWITNR-UHFFFAOYSA-N 1 0 356.466 2.735 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c(O)c1 ZINC001236790319 1038270616 /nfs/dbraw/zinc/27/06/16/1038270616.db2.gz VZTMXBCZPIAAHT-UHFFFAOYSA-N 1 0 351.450 2.698 20 10 FFCDRO CCc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236791032 1038272023 /nfs/dbraw/zinc/27/20/23/1038272023.db2.gz ZDVVZXKPRWNAON-RTBURBONSA-N 1 0 351.450 2.554 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(Cl)c1 ZINC001236803959 1038279581 /nfs/dbraw/zinc/27/95/81/1038279581.db2.gz RJLAVWXMDUISJP-UHFFFAOYSA-N 1 0 354.878 2.741 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001236811543 1038285145 /nfs/dbraw/zinc/28/51/45/1038285145.db2.gz RHBTVKRXGJZDRB-IERDGZPVSA-N 1 0 370.449 2.632 20 10 FFCDRO Oc1cc2ccccc2cc1C[NH+]1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001236833806 1038298901 /nfs/dbraw/zinc/29/89/01/1038298901.db2.gz QGALBYORDLNOFR-UHFFFAOYSA-N 1 0 374.488 2.947 20 10 FFCDRO CN(CC(=O)c1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236942583 1038370960 /nfs/dbraw/zinc/37/09/60/1038370960.db2.gz KVKOAJNYVJKJHB-UHFFFAOYSA-N 1 0 355.457 2.892 20 10 FFCDRO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001278043053 1038410534 /nfs/dbraw/zinc/41/05/34/1038410534.db2.gz CMTAGVCRTGKNKS-UHFFFAOYSA-N 1 0 360.454 2.561 20 10 FFCDRO CCOc1ccc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)c(O)c1 ZINC001237040977 1038418235 /nfs/dbraw/zinc/41/82/35/1038418235.db2.gz NNCPLJSKQLMTJQ-INIZCTEOSA-N 1 0 367.453 2.516 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001237042207 1038418706 /nfs/dbraw/zinc/41/87/06/1038418706.db2.gz YDAUOAYCDQOWQL-UTKZUKDTSA-N 1 0 370.449 2.713 20 10 FFCDRO CCC[NH+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3Br)C[C@@H]2C1 ZINC001237063971 1038429907 /nfs/dbraw/zinc/42/99/07/1038429907.db2.gz APWHNHAQMANSEE-STQMWFEESA-N 1 0 369.303 2.937 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(Br)c1 ZINC001237068487 1038432878 /nfs/dbraw/zinc/43/28/78/1038432878.db2.gz QVBSXZLDNRIUFQ-LLVKDONJSA-N 1 0 367.247 2.592 20 10 FFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237069971 1038433134 /nfs/dbraw/zinc/43/31/34/1038433134.db2.gz IUILAYJOIYKQIY-JTQLQIEISA-N 1 0 358.232 2.548 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001278624241 1038923964 /nfs/dbraw/zinc/92/39/64/1038923964.db2.gz XZLNIKMZCMZLMK-UHFFFAOYSA-N 1 0 359.489 2.865 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c3c(ccc2F)OCO3)[NH+](C)C)cc1 ZINC001537484469 1070192954 /nfs/dbraw/zinc/19/29/54/1070192954.db2.gz VXOOFUVNWYXYOX-MRXNPFEDSA-N 1 0 373.428 2.653 20 10 FFCDRO CCOC[C@@H](O)C[NH+]1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC001252033242 1039410994 /nfs/dbraw/zinc/41/09/94/1039410994.db2.gz SHFBHVJNOINTFC-NRFANRHFSA-N 1 0 370.493 2.785 20 10 FFCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c(OC)c1 ZINC001246946831 1039543519 /nfs/dbraw/zinc/54/35/19/1039543519.db2.gz HZGUIAUDJHTPCS-JXFKEZNVSA-N 1 0 361.530 2.993 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@H+](Cc3cccc(C)c3O)CC2)C1=O ZINC001276684129 1039549621 /nfs/dbraw/zinc/54/96/21/1039549621.db2.gz WKLWQHGAHKBICL-NRFANRHFSA-N 1 0 360.498 2.942 20 10 FFCDRO C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(F)c3[O-])(C1)CCC2 ZINC001278686642 1039776690 /nfs/dbraw/zinc/77/66/90/1039776690.db2.gz GELQKUFOAJKRFH-RBUKOAKNSA-N 1 0 353.457 2.757 20 10 FFCDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1Cl ZINC001248884961 1040492672 /nfs/dbraw/zinc/49/26/72/1040492672.db2.gz HEJRZXVPCWPZMM-UHFFFAOYSA-N 1 0 365.861 2.517 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001254190214 1040607233 /nfs/dbraw/zinc/60/72/33/1040607233.db2.gz MUDIMGJJEGVRII-CQSZACIVSA-N 1 0 364.442 2.660 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(CCc3cccs3)CC2)c(O)c1 ZINC001249201133 1040623745 /nfs/dbraw/zinc/62/37/45/1040623745.db2.gz GUNZCPHUHHJHCI-UHFFFAOYSA-N 1 0 374.506 2.530 20 10 FFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001276705310 1040916094 /nfs/dbraw/zinc/91/60/94/1040916094.db2.gz OOUSRBVWXSPLBL-OAHLLOKOSA-N 1 0 362.470 2.625 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001254736581 1040920480 /nfs/dbraw/zinc/92/04/80/1040920480.db2.gz GWUWLIBFBZVVEU-HOCLYGCPSA-N 1 0 366.527 2.900 20 10 FFCDRO CCCCN1CCC2(CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)C1=O ZINC001276705566 1040957521 /nfs/dbraw/zinc/95/75/21/1040957521.db2.gz RWPRDRJWCXCLNM-UHFFFAOYSA-N 1 0 362.470 2.721 20 10 FFCDRO COc1ccc(C(=O)c2ccccc2NC(=S)NCC[NH+](C)C)cc1 ZINC001249843502 1041034464 /nfs/dbraw/zinc/03/44/64/1041034464.db2.gz XQEFQYSZVPXTIE-UHFFFAOYSA-N 1 0 357.479 2.774 20 10 FFCDRO O=C(NCC(F)(F)F)N1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001278552129 1041118335 /nfs/dbraw/zinc/11/83/35/1041118335.db2.gz PRRQYRKYIAWVDS-UHFFFAOYSA-N 1 0 357.376 2.562 20 10 FFCDRO O=c1cccc(C[N@H+]2CCC3(CN(Cc4ccc(Cl)cc4O)C3)C2)[nH]1 ZINC001278554128 1041130294 /nfs/dbraw/zinc/13/02/94/1041130294.db2.gz MWOYTPMNRIQBRX-UHFFFAOYSA-N 1 0 359.857 2.854 20 10 FFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(OC)cc3)CC1)C2 ZINC001255200439 1041195758 /nfs/dbraw/zinc/19/57/58/1041195758.db2.gz OVQCTYKINAQWHJ-BWTSREIZSA-N 1 0 373.497 2.969 20 10 FFCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(Cl)ccc2O)C3)n(C)n1 ZINC001278569210 1041209957 /nfs/dbraw/zinc/20/99/57/1041209957.db2.gz RNLMEHQHSNAMKC-KDOFPFPSSA-N 1 0 360.889 2.794 20 10 FFCDRO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001255411386 1041329291 /nfs/dbraw/zinc/32/92/91/1041329291.db2.gz HTBMOKAHUXHXDB-GOSISDBHSA-N 1 0 374.529 2.537 20 10 FFCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001262110061 1041563553 /nfs/dbraw/zinc/56/35/53/1041563553.db2.gz PJIXFEOOTBIENW-NSHDSACASA-N 1 0 350.369 2.732 20 10 FFCDRO Oc1cccc(Br)c1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001262113743 1041568151 /nfs/dbraw/zinc/56/81/51/1041568151.db2.gz ZHMKJJQVRQHSGO-UHFFFAOYSA-N 1 0 369.303 2.888 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001279221294 1042950271 /nfs/dbraw/zinc/95/02/71/1042950271.db2.gz RJBJFBJEYUXOBF-FHWLQOOXSA-N 1 0 354.450 2.795 20 10 FFCDRO Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)CCc2ccc[nH]2)C3)c1O ZINC001279291068 1042986396 /nfs/dbraw/zinc/98/63/96/1042986396.db2.gz XFUKKUMCMZHMOV-UHFFFAOYSA-N 1 0 353.466 2.696 20 10 FFCDRO Cc1ncsc1CN1CCC2(C[NH+](Cc3ccc(O)c(C)c3O)C2)C1 ZINC001279312188 1042995440 /nfs/dbraw/zinc/99/54/40/1042995440.db2.gz FXZOAGCLXBALMY-UHFFFAOYSA-N 1 0 359.495 2.879 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001279396149 1043052966 /nfs/dbraw/zinc/05/29/66/1043052966.db2.gz WEWYYQJDBKFWHH-UHFFFAOYSA-N 1 0 362.514 2.818 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)c1O ZINC001279476799 1043159456 /nfs/dbraw/zinc/15/94/56/1043159456.db2.gz VLNRPPWHUJKVAP-SWLSCSKDSA-N 1 0 367.877 2.678 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCOC[C@@H]2NC(=O)C(C)C)CC1 ZINC001237489496 1043202018 /nfs/dbraw/zinc/20/20/18/1043202018.db2.gz YNRNKXAALYAIAN-IBGZPJMESA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001237487973 1043202243 /nfs/dbraw/zinc/20/22/43/1043202243.db2.gz HFEKZAUYYXBYBU-QGZVFWFLSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001237488740 1043203052 /nfs/dbraw/zinc/20/30/52/1043203052.db2.gz OHNOWRHXIKLIRH-OXQOHEQNSA-N 1 0 370.449 2.657 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001237489390 1043203754 /nfs/dbraw/zinc/20/37/54/1043203754.db2.gz AARMYIGEKPUGPL-UHFFFAOYSA-N 1 0 369.440 2.768 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2[C@H](COc3ncccn3)CC[C@@H]21 ZINC001237490393 1043205301 /nfs/dbraw/zinc/20/53/01/1043205301.db2.gz ULLGTDOCURQYKB-VDZJLULYSA-N 1 0 355.438 2.549 20 10 FFCDRO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(C)cccc1O ZINC001237495357 1043206400 /nfs/dbraw/zinc/20/64/00/1043206400.db2.gz QJEOJXASHNKAQQ-IBGZPJMESA-N 1 0 368.477 2.950 20 10 FFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@H]1C ZINC001237683944 1043310715 /nfs/dbraw/zinc/31/07/15/1043310715.db2.gz LPDCMFFRBLPJDU-ZIAGYGMSSA-N 1 0 351.443 2.821 20 10 FFCDRO C[NH+](C)C[C@@H]1CCCN1Cc1cccc(I)c1O ZINC001237781072 1043352977 /nfs/dbraw/zinc/35/29/77/1043352977.db2.gz RNNWPJZDCQBAFT-LBPRGKRZSA-N 1 0 360.239 2.523 20 10 FFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001279680373 1043456272 /nfs/dbraw/zinc/45/62/72/1043456272.db2.gz AWLHZBOXWOPJJL-INIZCTEOSA-N 1 0 360.376 2.587 20 10 FFCDRO Oc1cc(CN2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cc(O)c1O ZINC001279681511 1043460080 /nfs/dbraw/zinc/46/00/80/1043460080.db2.gz AFTHPLXUROLFGE-FQEVSTJZSA-N 1 0 357.454 2.620 20 10 FFCDRO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccnc1 ZINC001279684211 1043463913 /nfs/dbraw/zinc/46/39/13/1043463913.db2.gz MNOXRXUUWXDQIS-HOTGVXAUSA-N 1 0 364.852 2.730 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c1O ZINC001238060862 1043508166 /nfs/dbraw/zinc/50/81/66/1043508166.db2.gz KRSZZKPAWIEYHC-GOSISDBHSA-N 1 0 369.440 2.873 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1O ZINC001238061250 1043509049 /nfs/dbraw/zinc/50/90/49/1043509049.db2.gz ODUQIKYELPOQSQ-UTKZUKDTSA-N 1 0 372.440 2.900 20 10 FFCDRO O=C(NCC(F)F)[C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001279727794 1043540278 /nfs/dbraw/zinc/54/02/78/1043540278.db2.gz NVOKSPXCVFTMML-CQSZACIVSA-N 1 0 368.424 2.861 20 10 FFCDRO COCCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001279733002 1043550485 /nfs/dbraw/zinc/55/04/85/1043550485.db2.gz HUIIUHIUMFFVCF-LCLWPZTBSA-N 1 0 360.498 2.613 20 10 FFCDRO C[C@H]1CC[C@@](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(CC(=O)[O-])C1 ZINC000756314464 1043578080 /nfs/dbraw/zinc/57/80/80/1043578080.db2.gz ZVCVBLRCMYIQON-UWJYYQICSA-N 1 0 359.514 2.809 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CCCCO3)C2)cc1 ZINC001279748562 1043580098 /nfs/dbraw/zinc/58/00/98/1043580098.db2.gz BTKMGRSWCCKDBC-WIYYLYMNSA-N 1 0 357.498 2.909 20 10 FFCDRO c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ccc3c(c1)OCCO3)C2 ZINC001279764613 1043607437 /nfs/dbraw/zinc/60/74/37/1043607437.db2.gz DQOSBLYXYKGHNI-HXUWFJFHSA-N 1 0 354.454 2.673 20 10 FFCDRO Cc1ncsc1C[N@@H+]1CCC2(CN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001279765279 1043608216 /nfs/dbraw/zinc/60/82/16/1043608216.db2.gz VBQXCYFPDSMPOQ-UHFFFAOYSA-N 1 0 357.479 2.935 20 10 FFCDRO COc1ccc(N2CCC3(CCC[N@H+](CC(=O)N(C)C)C3)CC2)c(C)c1 ZINC001279769045 1043612620 /nfs/dbraw/zinc/61/26/20/1043612620.db2.gz QUSJGJDTUCVZDI-UHFFFAOYSA-N 1 0 359.514 2.774 20 10 FFCDRO O=C(N1CCCCO1)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001279860404 1043785322 /nfs/dbraw/zinc/78/53/22/1043785322.db2.gz SRBUHGTUJVMCFJ-NQIIRXRSSA-N 1 0 355.482 2.805 20 10 FFCDRO O=C(Nc1cccc2c1OCO2)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001279969144 1044005360 /nfs/dbraw/zinc/00/53/60/1044005360.db2.gz VHCQDKLLPKCKIM-VBKZILBWSA-N 1 0 352.390 2.724 20 10 FFCDRO Cc1ccc(CCNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001311988315 1044014210 /nfs/dbraw/zinc/01/42/10/1044014210.db2.gz GQYINOFYZMLERK-UHFFFAOYSA-N 1 0 366.509 2.789 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3cc(F)cc(C)c3O)[C@@H]2C1 ZINC001280027970 1044102737 /nfs/dbraw/zinc/10/27/37/1044102737.db2.gz NABFAPUDRYWRSR-MAUKXSAKSA-N 1 0 358.461 2.762 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NCC(F)F)c(O)c1 ZINC001280034612 1044110974 /nfs/dbraw/zinc/11/09/74/1044110974.db2.gz BJAMYWGYQAXBCI-IFXJQAMLSA-N 1 0 367.440 2.584 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](C(N)=O)[C@@H]3c3ccccc3)ccc21 ZINC001280081879 1044182490 /nfs/dbraw/zinc/18/24/90/1044182490.db2.gz YHRAATAGTGJKGC-XLIONFOSSA-N 1 0 351.450 2.564 20 10 FFCDRO CC[N@@H+]1CCN(c2nnc(C)n2CCCSc2nccs2)C[C@@H]1C ZINC001313930787 1044444162 /nfs/dbraw/zinc/44/41/62/1044444162.db2.gz BUHMOIKRFQGANU-ZDUSSCGKSA-N 1 0 366.560 2.756 20 10 FFCDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC001280312633 1044586378 /nfs/dbraw/zinc/58/63/78/1044586378.db2.gz FWVXSSJIRSSXKL-DRXBFXEBSA-N 1 0 367.287 2.701 20 10 FFCDRO COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC001539236569 1070593432 /nfs/dbraw/zinc/59/34/32/1070593432.db2.gz VLOQNCWHVZHXOX-SFHVURJKSA-N 1 0 359.445 2.933 20 10 FFCDRO CCOc1ccc(N2CC[NH+](CCC(=O)Nc3cc(C)on3)CC2)cc1 ZINC001319381987 1045131997 /nfs/dbraw/zinc/13/19/97/1045131997.db2.gz WXGZQEOUOKQJAO-UHFFFAOYSA-N 1 0 358.442 2.533 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCSC(F)(F)F)cc2F)CC1 ZINC001319829194 1045281325 /nfs/dbraw/zinc/28/13/25/1045281325.db2.gz QEWRUNMTIJTUNX-UHFFFAOYSA-N 1 0 351.413 2.920 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC001320130467 1045353445 /nfs/dbraw/zinc/35/34/45/1045353445.db2.gz LDBBGCBNHXBRCN-CZUORRHYSA-N 1 0 364.511 2.795 20 10 FFCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(Br)cc1O ZINC001320246794 1045374771 /nfs/dbraw/zinc/37/47/71/1045374771.db2.gz PAFOUPOUMHDJCS-LBPRGKRZSA-N 1 0 357.292 2.510 20 10 FFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001320754266 1045461756 /nfs/dbraw/zinc/46/17/56/1045461756.db2.gz PUINASDZVRTXEU-YWEYNIOJSA-N 1 0 367.449 2.810 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC001325357596 1046482348 /nfs/dbraw/zinc/48/23/48/1046482348.db2.gz VJMQKSRPINXIEQ-ILXRZTDVSA-N 1 0 354.454 2.768 20 10 FFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001326130819 1046779060 /nfs/dbraw/zinc/77/90/60/1046779060.db2.gz WPGGTGAAHWBQKS-FQEVSTJZSA-N 1 0 371.500 2.579 20 10 FFCDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1N1CCCCC1 ZINC000729684407 1046938778 /nfs/dbraw/zinc/93/87/78/1046938778.db2.gz OKZPLIKGKVROHI-QZTJIDSGSA-N 1 0 374.485 2.538 20 10 FFCDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000729687281 1046939438 /nfs/dbraw/zinc/93/94/38/1046939438.db2.gz YQYQLWSXLHTQKM-UHFFFAOYSA-N 1 0 374.485 2.933 20 10 FFCDRO C[NH2+][C@H](C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001327487588 1047918678 /nfs/dbraw/zinc/91/86/78/1047918678.db2.gz SPWLLYVFOPUGGU-KGLIPLIRSA-N 1 0 370.444 2.554 20 10 FFCDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC001329155740 1048599328 /nfs/dbraw/zinc/59/93/28/1048599328.db2.gz DVEAGVQHFCFKMS-SUMWQHHRSA-N 1 0 366.255 2.729 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001329283334 1048651296 /nfs/dbraw/zinc/65/12/96/1048651296.db2.gz JFZSUDVYZDTCKX-INIZCTEOSA-N 1 0 365.477 2.597 20 10 FFCDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393510 1049882711 /nfs/dbraw/zinc/88/27/11/1049882711.db2.gz XWFSOEYOITUIOZ-QGPMSJSTSA-N 1 0 372.469 2.684 20 10 FFCDRO NC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000743674644 1050107931 /nfs/dbraw/zinc/10/79/31/1050107931.db2.gz GLKZJEBEAFVRPF-UHFFFAOYSA-N 1 0 368.437 2.974 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(N)c2Cl)[NH+](C)C)cc1 ZINC001341512775 1050148171 /nfs/dbraw/zinc/14/81/71/1050148171.db2.gz MXOCHMXMVOPMQO-GOSISDBHSA-N 1 0 374.916 2.950 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CNc4ccccc43)cc2)CC1 ZINC001341592941 1050219099 /nfs/dbraw/zinc/21/90/99/1050219099.db2.gz KYUOFRZREMGZJC-SFHVURJKSA-N 1 0 364.493 2.654 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000746391066 1050679545 /nfs/dbraw/zinc/67/95/45/1050679545.db2.gz JKFRLZQNLCBZGC-QLBOMPFWSA-N 1 0 373.453 2.949 20 10 FFCDRO C[C@@H](NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)c1ccccc1O ZINC001340786245 1051133812 /nfs/dbraw/zinc/13/38/12/1051133812.db2.gz DSPTVOMQJXCDMH-ZYHUDNBSSA-N 1 0 352.356 2.947 20 10 FFCDRO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC(=O)CC[C@H]2C)C1 ZINC001304333634 1051595432 /nfs/dbraw/zinc/59/54/32/1051595432.db2.gz IIXKVSOMPDSGEL-MRXNPFEDSA-N 1 0 367.493 2.988 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc21 ZINC001341271186 1051630815 /nfs/dbraw/zinc/63/08/15/1051630815.db2.gz GBQJYAUSUZLNTL-ZWKOTPCHSA-N 1 0 355.482 2.586 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC([NH2+]C4CCC4)CC3)cc2F)CC1 ZINC001343317432 1052157781 /nfs/dbraw/zinc/15/77/81/1052157781.db2.gz BGNITAKORWHMAB-UHFFFAOYSA-N 1 0 360.521 2.684 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001343336680 1052169836 /nfs/dbraw/zinc/16/98/36/1052169836.db2.gz QVJZOYPFRCZCAV-VXGBXAGGSA-N 1 0 355.276 2.891 20 10 FFCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308434812 1052456668 /nfs/dbraw/zinc/45/66/68/1052456668.db2.gz ZDAIDVDKRWXNBF-RBBKRZOGSA-N 1 0 354.494 2.861 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c(O)c1 ZINC001308664013 1052483651 /nfs/dbraw/zinc/48/36/51/1052483651.db2.gz QWQLJWIAADPPGL-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO COC(=O)c1c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2cc(F)ccc2n1C ZINC001308904173 1052516447 /nfs/dbraw/zinc/51/64/47/1052516447.db2.gz IWERUDNSEHHUOZ-SUMWQHHRSA-N 1 0 359.445 2.630 20 10 FFCDRO CC(C)CN1C[C@@H]2CN(Cc3ccc(N4CCCC4)cc3)CCN2C1=O ZINC001343990035 1052531965 /nfs/dbraw/zinc/53/19/65/1052531965.db2.gz LGBZMVSZPHXERH-FQEVSTJZSA-N 1 0 356.514 2.865 20 10 FFCDRO CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc3c2CCN(C)C3)cc1 ZINC001309012125 1052538706 /nfs/dbraw/zinc/53/87/06/1052538706.db2.gz AOWXPRILEAAGPL-UHFFFAOYSA-N 1 0 373.522 2.561 20 10 FFCDRO CC[C@H](C)C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC ZINC001346042887 1052719684 /nfs/dbraw/zinc/71/96/84/1052719684.db2.gz FJZZORWPELDXEH-YJBOKZPZSA-N 1 0 365.493 2.645 20 10 FFCDRO C[NH+](C)CC[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC001335117516 1053221992 /nfs/dbraw/zinc/22/19/92/1053221992.db2.gz VNLVIECBBXHUFH-MRXNPFEDSA-N 1 0 362.861 2.933 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001335295985 1053285540 /nfs/dbraw/zinc/28/55/40/1053285540.db2.gz MDHGJNYAEIKQJD-UHFFFAOYSA-N 1 0 367.449 2.551 20 10 FFCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001335541089 1053423316 /nfs/dbraw/zinc/42/33/16/1053423316.db2.gz VXMCGPKJMGOIEP-OAHLLOKOSA-N 1 0 353.470 2.689 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001336000293 1053698439 /nfs/dbraw/zinc/69/84/39/1053698439.db2.gz AXNMIQHOWHKVLC-BEFAXECRSA-N 1 0 357.410 2.505 20 10 FFCDRO CCCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)n1 ZINC001336113595 1053777203 /nfs/dbraw/zinc/77/72/03/1053777203.db2.gz DWGJNFPGNMQKSO-LJQANCHMSA-N 1 0 357.502 2.700 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])CC2)cc1 ZINC001336783693 1054222577 /nfs/dbraw/zinc/22/25/77/1054222577.db2.gz MDGASWUFXXMGHJ-HRAATJIYSA-N 1 0 372.513 2.577 20 10 FFCDRO CCc1cccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1O ZINC000848884307 1055300114 /nfs/dbraw/zinc/30/01/14/1055300114.db2.gz AUGJVKHOLUYNFD-INIZCTEOSA-N 1 0 359.514 2.520 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c1O ZINC000848893988 1055317479 /nfs/dbraw/zinc/31/74/79/1055317479.db2.gz DOALDFQGQZSRSN-UHFFFAOYSA-N 1 0 370.493 2.955 20 10 FFCDRO CCc1cccc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)c1O ZINC000848895027 1055322247 /nfs/dbraw/zinc/32/22/47/1055322247.db2.gz OCCDTNVIYZGTDY-UHFFFAOYSA-N 1 0 367.493 2.783 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cccc(CC)c3O)C2)nc1 ZINC000848902627 1055335900 /nfs/dbraw/zinc/33/59/00/1055335900.db2.gz QYAUWZRBLMPVGF-UHFFFAOYSA-N 1 0 355.438 2.505 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCc2nc(C(C)C)no2)c2cc(F)ccc2n1C ZINC001338234071 1055344309 /nfs/dbraw/zinc/34/43/09/1055344309.db2.gz CTPIBCWROYGYEX-UHFFFAOYSA-N 1 0 374.416 2.943 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001357668515 1055978826 /nfs/dbraw/zinc/97/88/26/1055978826.db2.gz OBTWWZBSZRYCTQ-JXFKEZNVSA-N 1 0 352.482 2.979 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001544524158 1071655247 /nfs/dbraw/zinc/65/52/47/1071655247.db2.gz RJQZRXMPSICOSZ-UXHICEINSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001544892106 1071707792 /nfs/dbraw/zinc/70/77/92/1071707792.db2.gz MNMJSRJCCCISJF-PKOBYXMFSA-N 1 0 359.514 2.854 20 10 FFCDRO CC[N@@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001502286274 1058805554 /nfs/dbraw/zinc/80/55/54/1058805554.db2.gz KNSITUXZSFSDJD-KRWDZBQOSA-N 1 0 355.486 2.982 20 10 FFCDRO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001545632571 1071822949 /nfs/dbraw/zinc/82/29/49/1071822949.db2.gz PGFGCZVXZOCDPL-ZYRRHWMLSA-N 1 0 366.889 2.797 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@@H+]4C3)C2)cc1 ZINC001520258601 1059539697 /nfs/dbraw/zinc/53/96/97/1059539697.db2.gz RUSJWEUZRFSWRQ-XFKSJGNHSA-N 1 0 371.525 2.758 20 10 FFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccn1 ZINC000848519990 1060209389 /nfs/dbraw/zinc/20/93/89/1060209389.db2.gz GUOHPMCZSXXHPZ-YJBOKZPZSA-N 1 0 368.481 2.643 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3[nH]cnc32)[NH+](C)C)cc1 ZINC001456929141 1060230515 /nfs/dbraw/zinc/23/05/15/1060230515.db2.gz GJYHBADHVCWPAR-GOSISDBHSA-N 1 0 351.454 2.662 20 10 FFCDRO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001517457464 1060511527 /nfs/dbraw/zinc/51/15/27/1060511527.db2.gz IPGPQOJLHTXLSZ-UONOGXRCSA-N 1 0 361.515 2.899 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001461676822 1061375294 /nfs/dbraw/zinc/37/52/94/1061375294.db2.gz OTCRMLYJAKXHAA-NHYWBVRUSA-N 1 0 361.364 2.986 20 10 FFCDRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Br)cc1O ZINC001462081756 1061497406 /nfs/dbraw/zinc/49/74/06/1061497406.db2.gz BQBZPTULBQUJNR-CQSZACIVSA-N 1 0 352.228 2.554 20 10 FFCDRO CCC(CC)n1nccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462465379 1061633782 /nfs/dbraw/zinc/63/37/82/1061633782.db2.gz DHGIZKWLEXXEKS-UHFFFAOYSA-N 1 0 369.513 2.926 20 10 FFCDRO COc1ccc(C[NH2+]C2(C)CN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC001462669347 1061715338 /nfs/dbraw/zinc/71/53/38/1061715338.db2.gz UENIRKUQRNVDKM-UHFFFAOYSA-N 1 0 352.431 2.508 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCOC2CCCC2)[NH+](C)C)cc1 ZINC001477536475 1061731252 /nfs/dbraw/zinc/73/12/52/1061731252.db2.gz OVUZALKWSJWIBD-IBGZPJMESA-N 1 0 362.518 2.614 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C[NH3+])[C@@H](C)C3)ccc21 ZINC001523028067 1062363700 /nfs/dbraw/zinc/36/37/00/1062363700.db2.gz MRJXHBRVIKXTIF-KSSFIOAISA-N 1 0 357.498 2.961 20 10 FFCDRO Cc1cc(CCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC001470969535 1064511537 /nfs/dbraw/zinc/51/15/37/1064511537.db2.gz XBZHNPIFAHWCSW-CTNGQTDRSA-N 1 0 366.509 2.982 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC001471189812 1064595436 /nfs/dbraw/zinc/59/54/36/1064595436.db2.gz BXJFASBJFOPIBQ-LJQANCHMSA-N 1 0 356.514 2.770 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001471544979 1064711611 /nfs/dbraw/zinc/71/16/11/1064711611.db2.gz PVEFRFRBRSAHBZ-QAPCUYQASA-N 1 0 362.518 2.564 20 10 FFCDRO CN(CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001473924204 1065420300 /nfs/dbraw/zinc/42/03/00/1065420300.db2.gz NTIVXMWHFJUWOM-UHFFFAOYSA-N 1 0 356.489 2.804 20 10 FFCDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473957670 1065427297 /nfs/dbraw/zinc/42/72/97/1065427297.db2.gz LKQPPCDHUAZHLV-ZWKOTPCHSA-N 1 0 362.537 2.788 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC001473961683 1065427793 /nfs/dbraw/zinc/42/77/93/1065427793.db2.gz MGDVSLFEEPLLRN-UHFFFAOYSA-N 1 0 369.509 2.924 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)cc1OC ZINC001474351454 1065498993 /nfs/dbraw/zinc/49/89/93/1065498993.db2.gz VXMLJDQMRHFERN-KRWDZBQOSA-N 1 0 370.449 2.804 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC001474750583 1065596484 /nfs/dbraw/zinc/59/64/84/1065596484.db2.gz RYNRJTGEHZTCEX-BETUJISGSA-N 1 0 352.431 2.555 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001577734725 1078392831 /nfs/dbraw/zinc/39/28/31/1078392831.db2.gz STXWUDCGBIUYGW-LRDDRELGSA-N 1 0 353.260 2.503 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC1=CC[NH2+]CC1 ZINC001579590371 1078646605 /nfs/dbraw/zinc/64/66/05/1078646605.db2.gz YSHPTXPVJDJDPZ-UHFFFAOYSA-N 1 0 351.450 2.946 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC3(C[NH2+]C3)CC2)c1 ZINC001579589684 1078646640 /nfs/dbraw/zinc/64/66/40/1078646640.db2.gz MILUOCPYGWDWON-UHFFFAOYSA-N 1 0 351.450 2.732 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC001579590341 1078647016 /nfs/dbraw/zinc/64/70/16/1078647016.db2.gz YACXZLIENQOYQP-GOSISDBHSA-N 1 0 353.466 2.646 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)c(-c3nn[nH]n3)c2)c1O ZINC001579929368 1078717803 /nfs/dbraw/zinc/71/78/03/1078717803.db2.gz HGHVMYQWPHBPAU-UHFFFAOYSA-N 1 0 359.817 2.833 20 10 FFCDRO Cn1ccc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC001583475828 1079220984 /nfs/dbraw/zinc/22/09/84/1079220984.db2.gz MQNXVERIOLGQBO-UHFFFAOYSA-N 1 0 362.477 2.860 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001558428413 1076004055 /nfs/dbraw/zinc/00/40/55/1076004055.db2.gz ZKSSWSAZSDFZJC-OXQOHEQNSA-N 1 0 353.466 2.658 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC001558428411 1076004248 /nfs/dbraw/zinc/00/42/48/1076004248.db2.gz ZKSSWSAZSDFZJC-JXFKEZNVSA-N 1 0 353.466 2.658 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1F ZINC001559642453 1076179118 /nfs/dbraw/zinc/17/91/18/1076179118.db2.gz PQXPHEQUQPLTQY-PXNSSMCTSA-N 1 0 364.461 2.685 20 10 FFCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(C)c1O ZINC001561014607 1076319793 /nfs/dbraw/zinc/31/97/93/1076319793.db2.gz VZSALKBPAHRFAL-OAHLLOKOSA-N 1 0 357.292 2.664 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(O)Cc2ccccc2)[NH+](C)C)cc1 ZINC001565453144 1076731259 /nfs/dbraw/zinc/73/12/59/1076731259.db2.gz SUFRCDZPQUGJPP-LJQANCHMSA-N 1 0 356.470 2.956 20 10 FFCDRO O=C(NCc1ccccc1O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001566373967 1076952763 /nfs/dbraw/zinc/95/27/63/1076952763.db2.gz OCLWPAXKHZCNEM-SIKLNZKXSA-N 1 0 366.461 2.547 20 10 FFCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001571311810 1077245831 /nfs/dbraw/zinc/24/58/31/1077245831.db2.gz OQNZRKWSBPHDJK-MMTROXRISA-N 1 0 360.498 2.946 20 10 FFCDRO CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001586060128 1079538455 /nfs/dbraw/zinc/53/84/55/1079538455.db2.gz DFGFZELOGROPPS-UXHICEINSA-N 1 0 373.472 2.998 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000373138505 512189020 /nfs/dbraw/zinc/18/90/20/512189020.db2.gz KWPPQEPMWDXSPW-IBGZPJMESA-N 1 0 358.457 2.996 20 10 FFCDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000066153963 506431124 /nfs/dbraw/zinc/43/11/24/506431124.db2.gz NMDNGMSXUQNMGJ-UHFFFAOYSA-N 1 0 368.481 2.522 20 10 FFCDRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000063201836 507701177 /nfs/dbraw/zinc/70/11/77/507701177.db2.gz OSSQNCWDCHLMKW-UHFFFAOYSA-N 1 0 373.522 2.657 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090852590 507938759 /nfs/dbraw/zinc/93/87/59/507938759.db2.gz XUBCEXDCCHUAPA-OAHLLOKOSA-N 1 0 358.461 2.974 20 10 FFCDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000079459695 507964372 /nfs/dbraw/zinc/96/43/72/507964372.db2.gz YBAIWDYKJNUNMK-VQIMIIECSA-N 1 0 373.497 2.567 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1O ZINC000073981044 507974023 /nfs/dbraw/zinc/97/40/23/507974023.db2.gz RSNUYTDTUZWHQX-INIZCTEOSA-N 1 0 373.453 2.939 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC1CCOCC1 ZINC000377639386 512371417 /nfs/dbraw/zinc/37/14/17/512371417.db2.gz CTSRNHWPXPAVJB-OAHLLOKOSA-N 1 0 368.861 2.915 20 10 FFCDRO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)Cc1ccccc1O ZINC000111236452 508080996 /nfs/dbraw/zinc/08/09/96/508080996.db2.gz FVGZGZDCUYTGRL-HNNXBMFYSA-N 1 0 367.449 2.978 20 10 FFCDRO O=C1CCCCN1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093741587 508153857 /nfs/dbraw/zinc/15/38/57/508153857.db2.gz PJIGJNSKTBEHDC-UHFFFAOYSA-N 1 0 357.498 2.500 20 10 FFCDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000113326549 508260512 /nfs/dbraw/zinc/26/05/12/508260512.db2.gz GHQFRMLOLWYIQC-CQSZACIVSA-N 1 0 363.767 2.709 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1F ZINC000122830614 508593634 /nfs/dbraw/zinc/59/36/34/508593634.db2.gz GOYOUJITNWDOCS-UHFFFAOYSA-N 1 0 362.449 2.758 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000129010854 508670359 /nfs/dbraw/zinc/67/03/59/508670359.db2.gz NPVLXAQABGLHRC-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1cc(Br)ccc1O ZINC000155606080 509036692 /nfs/dbraw/zinc/03/66/92/509036692.db2.gz KLTCNUFUYZVLIQ-GFCCVEGCSA-N 1 0 350.278 2.630 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000179624077 509540371 /nfs/dbraw/zinc/54/03/71/509540371.db2.gz HBNDZBOHQDSVAD-UHFFFAOYSA-N 1 0 353.422 2.881 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000237263827 509606877 /nfs/dbraw/zinc/60/68/77/509606877.db2.gz USPYKNOEHOQRGD-QGZVFWFLSA-N 1 0 359.514 2.760 20 10 FFCDRO CC(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264576129 509609952 /nfs/dbraw/zinc/60/99/52/509609952.db2.gz UCRLAOMYEJKHTO-VMPITWQZSA-N 1 0 371.525 2.773 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3O)C2=O)c1 ZINC000179888511 509660575 /nfs/dbraw/zinc/66/05/75/509660575.db2.gz SJVWAYGHXLCZIY-SCLBCKFNSA-N 1 0 356.422 2.866 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000189977024 509864691 /nfs/dbraw/zinc/86/46/91/509864691.db2.gz FDHWBCQLXSGZGW-UHFFFAOYSA-N 1 0 365.275 2.967 20 10 FFCDRO CCOC1CC(C[NH2+][C@H](C)c2cc(Cl)ccc2O)(N2CCOCC2)C1 ZINC000193399252 509897488 /nfs/dbraw/zinc/89/74/88/509897488.db2.gz LEXLQUCIDMSBMH-ICXUMSERSA-N 1 0 368.905 2.966 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+](C)C)c1 ZINC000180605545 510009811 /nfs/dbraw/zinc/00/98/11/510009811.db2.gz ULBUTROBPXAZEQ-SYJIQKIWSA-N 1 0 356.422 2.539 20 10 FFCDRO COCc1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)o1 ZINC000268736650 510090883 /nfs/dbraw/zinc/09/08/83/510090883.db2.gz NZZVPCOVDUMTDU-ZROIWOOFSA-N 1 0 352.481 2.721 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC1CC[NH+](CC2CC2)CC1 ZINC000175236748 510545649 /nfs/dbraw/zinc/54/56/49/510545649.db2.gz JKEIOGLGCNILCA-UHFFFAOYSA-N 1 0 357.498 2.945 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185006790 510630222 /nfs/dbraw/zinc/63/02/22/510630222.db2.gz BOOSUPOKYWBMHZ-ZDUSSCGKSA-N 1 0 353.894 2.687 20 10 FFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)CC2 ZINC000185317022 510802957 /nfs/dbraw/zinc/80/29/57/510802957.db2.gz XXABVLKBICALQC-JOYOIKCWSA-N 1 0 351.248 2.720 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(O)c1 ZINC000185340978 510813637 /nfs/dbraw/zinc/81/36/37/510813637.db2.gz NHWGOZLHIPOJEB-PXNSSMCTSA-N 1 0 368.477 2.821 20 10 FFCDRO [NH3+]CC1(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000185360287 510821432 /nfs/dbraw/zinc/82/14/32/510821432.db2.gz CXIGQVOTQQXZJY-UHFFFAOYSA-N 1 0 363.477 2.578 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCCC[NH+]1CCCC1 ZINC000293895715 510890830 /nfs/dbraw/zinc/89/08/30/510890830.db2.gz JTLFBLPFGRMHPH-DHZHZOJOSA-N 1 0 371.525 2.919 20 10 FFCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000276909099 510950006 /nfs/dbraw/zinc/95/00/06/510950006.db2.gz JBMSFURLNCFALH-UHFFFAOYSA-N 1 0 360.907 2.728 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473366 510993652 /nfs/dbraw/zinc/99/36/52/510993652.db2.gz HVTIPNOYBITLOG-DLUDVSRJSA-N 1 0 364.423 2.518 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278513786 510994977 /nfs/dbraw/zinc/99/49/77/510994977.db2.gz QGDJTDOWQDANNC-CZUORRHYSA-N 1 0 360.410 2.953 20 10 FFCDRO COc1c([O-])c(C[NH+]2CCC(O)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278517183 510995983 /nfs/dbraw/zinc/99/59/83/510995983.db2.gz QZVQSOQNHJGPJA-UHFFFAOYSA-N 1 0 358.394 2.793 20 10 FFCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000278777529 511006213 /nfs/dbraw/zinc/00/62/13/511006213.db2.gz VHKZYRBPBFOLMZ-DYESRHJHSA-N 1 0 371.477 2.905 20 10 FFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000278872496 511011361 /nfs/dbraw/zinc/01/13/61/511011361.db2.gz RZFMOTYAJJIOHL-DKSSEZFCSA-N 1 0 352.450 2.507 20 10 FFCDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000279088541 511018940 /nfs/dbraw/zinc/01/89/40/511018940.db2.gz NFYKRPSOXIUXMX-CQSZACIVSA-N 1 0 372.444 2.867 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1cccc(Br)c1)OCO2 ZINC000282561728 511026378 /nfs/dbraw/zinc/02/63/78/511026378.db2.gz ABWZHIAGLRGSOB-CQSZACIVSA-N 1 0 366.211 2.707 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000287180790 511043879 /nfs/dbraw/zinc/04/38/79/511043879.db2.gz VFKSPSUSWWMJAV-GHMZBOCLSA-N 1 0 362.289 2.630 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1O ZINC000288453370 511075056 /nfs/dbraw/zinc/07/50/56/511075056.db2.gz NGTXMVXKKRFTQN-HNNXBMFYSA-N 1 0 358.438 2.891 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271094211 511080301 /nfs/dbraw/zinc/08/03/01/511080301.db2.gz MCIDNQNACIHXGW-CQSZACIVSA-N 1 0 366.458 2.899 20 10 FFCDRO OCc1cn(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)nn1 ZINC000294532038 511095267 /nfs/dbraw/zinc/09/52/67/511095267.db2.gz ZXVHKNSEMTWAJH-HXUWFJFHSA-N 1 0 366.465 2.830 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000282754342 511097980 /nfs/dbraw/zinc/09/79/80/511097980.db2.gz OKBSADYIPUSZGN-GOSISDBHSA-N 1 0 361.463 2.590 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000294695696 511145125 /nfs/dbraw/zinc/14/51/25/511145125.db2.gz DUZILNRUXIVAIM-UHFFFAOYSA-N 1 0 358.511 2.971 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000294782972 511176833 /nfs/dbraw/zinc/17/68/33/511176833.db2.gz CUIKHIDSBOSDOG-AWEZNQCLSA-N 1 0 350.434 2.965 20 10 FFCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000279878565 511251069 /nfs/dbraw/zinc/25/10/69/511251069.db2.gz UKYXSWGSAIHZPP-CYBMUJFWSA-N 1 0 355.276 2.811 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c(C(F)(F)F)c1 ZINC000280120929 511342722 /nfs/dbraw/zinc/34/27/22/511342722.db2.gz CNIOCFGTDRRAKG-HNNXBMFYSA-N 1 0 374.403 2.783 20 10 FFCDRO COC(=O)CCCN1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000271846420 511346378 /nfs/dbraw/zinc/34/63/78/511346378.db2.gz UYPBRLPNRUZGCJ-UHFFFAOYSA-N 1 0 359.514 2.576 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1OC ZINC000271855977 511348889 /nfs/dbraw/zinc/34/88/89/511348889.db2.gz USGSZOYNQJICRU-AWEZNQCLSA-N 1 0 353.484 2.944 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC000292050438 511446451 /nfs/dbraw/zinc/44/64/51/511446451.db2.gz JDBKARDPWHUTBR-BFYDXBDKSA-N 1 0 363.477 2.588 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454182 511526037 /nfs/dbraw/zinc/52/60/37/511526037.db2.gz GTRQYOLDWDGMNW-SKDRFNHKSA-N 1 0 361.320 2.504 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000273696186 511577357 /nfs/dbraw/zinc/57/73/57/511577357.db2.gz CJKMSGNHJXRPKC-JKSUJKDBSA-N 1 0 351.830 2.628 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000295999231 511583661 /nfs/dbraw/zinc/58/36/61/511583661.db2.gz OFVIIVVAVJVACR-DYVFJYSZSA-N 1 0 360.479 2.981 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1O ZINC000363869557 511819753 /nfs/dbraw/zinc/81/97/53/511819753.db2.gz RIYCFSRLGKITOA-WCQYABFASA-N 1 0 365.275 2.818 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000296805523 511905026 /nfs/dbraw/zinc/90/50/26/511905026.db2.gz UOSMVVRXIPTABM-HNNXBMFYSA-N 1 0 370.453 2.970 20 10 FFCDRO OCC1([C@@H]([NH2+]Cc2cc(Br)ccc2O)C2CC2)CCOCC1 ZINC000293524691 511997762 /nfs/dbraw/zinc/99/77/62/511997762.db2.gz AAQHBBLMWNUNGF-INIZCTEOSA-N 1 0 370.287 2.812 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3cncc(Cl)n3)CC1)OCO2 ZINC000275061077 512030087 /nfs/dbraw/zinc/03/00/87/512030087.db2.gz HUHWEQZUNVRMQO-UHFFFAOYSA-N 1 0 363.801 2.608 20 10 FFCDRO Cc1nnsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000364339757 512092747 /nfs/dbraw/zinc/09/27/47/512092747.db2.gz PLFDYJSDUCPAKF-CYBMUJFWSA-N 1 0 366.874 2.600 20 10 FFCDRO Cn1cc([C@@H](CO)[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000367583311 512569938 /nfs/dbraw/zinc/56/99/38/512569938.db2.gz CEBJPMMZLCLKRA-OAQYLSRUSA-N 1 0 362.477 2.806 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000376009289 512614220 /nfs/dbraw/zinc/61/42/20/512614220.db2.gz WNBTYBGXBRXQSF-MEDUHNTESA-N 1 0 372.259 2.543 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000368161520 512825344 /nfs/dbraw/zinc/82/53/44/512825344.db2.gz PBHWKLPDVFVTNH-IBGZPJMESA-N 1 0 360.498 2.541 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@H]2C)C1 ZINC000435610625 513635771 /nfs/dbraw/zinc/63/57/71/513635771.db2.gz LFYWPVFUFQUVPO-MRXNPFEDSA-N 1 0 355.482 2.655 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCOC2)C1 ZINC000436038066 513742576 /nfs/dbraw/zinc/74/25/76/513742576.db2.gz KRLYMOPQJJUZJW-NRFANRHFSA-N 1 0 355.482 2.703 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583860037 519471631 /nfs/dbraw/zinc/47/16/31/519471631.db2.gz HTJGHURZZSABNU-UHFFFAOYSA-N 1 0 352.438 2.829 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)ccc21 ZINC000627649638 522988439 /nfs/dbraw/zinc/98/84/39/522988439.db2.gz DPKZBTILDCNUDT-RUYXUALKSA-N 1 0 355.482 2.537 20 10 FFCDRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000897949479 735296778 /nfs/dbraw/zinc/29/67/78/735296778.db2.gz XWMPKLPHGMYKLD-PIGZYNQJSA-N 1 0 364.239 2.987 20 10 FFCDRO CN(C)c1ccc([C@@H](CNCc2nc(Br)c[nH]2)[NH+](C)C)cc1 ZINC000898447203 735362158 /nfs/dbraw/zinc/36/21/58/735362158.db2.gz GWSMZRCLPYHRRM-CQSZACIVSA-N 1 0 366.307 2.631 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cscn1 ZINC000092010964 728464243 /nfs/dbraw/zinc/46/42/43/728464243.db2.gz XLQZWFZDVIHKOZ-UHFFFAOYSA-N 1 0 356.495 2.605 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000105206023 728504632 /nfs/dbraw/zinc/50/46/32/728504632.db2.gz SUMGSLGEKUUZGY-INIZCTEOSA-N 1 0 350.482 2.811 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)CC(C)C ZINC000114585782 728561655 /nfs/dbraw/zinc/56/16/55/728561655.db2.gz MLUYZIVRXABYSK-INIZCTEOSA-N 1 0 351.491 2.957 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN(c2ccc(OC)c(F)c2)C(C)C)CC1 ZINC000150954620 728743828 /nfs/dbraw/zinc/74/38/28/728743828.db2.gz GJOKQNVHIYVPDR-UHFFFAOYSA-N 1 0 351.466 2.650 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000186120989 729360781 /nfs/dbraw/zinc/36/07/81/729360781.db2.gz BRUZWXLCNWHORU-LBPRGKRZSA-N 1 0 353.415 2.664 20 10 FFCDRO CCS(=O)(=O)NC1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000193386757 729477162 /nfs/dbraw/zinc/47/71/62/729477162.db2.gz ZXTROHUMRZFXEW-UHFFFAOYSA-N 1 0 368.543 2.902 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000194850605 729522441 /nfs/dbraw/zinc/52/24/41/729522441.db2.gz MLOHNBFAPDZEBS-SNVBAGLBSA-N 1 0 350.260 2.934 20 10 FFCDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000237862782 729564811 /nfs/dbraw/zinc/56/48/11/729564811.db2.gz KEPROEFDDYLZPJ-LJQANCHMSA-N 1 0 355.507 2.946 20 10 FFCDRO CON1CCC([NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000924717594 738441178 /nfs/dbraw/zinc/44/11/78/738441178.db2.gz WABVVOIYMIFHID-GJZGRUSLSA-N 1 0 351.466 2.555 20 10 FFCDRO COc1ccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858093240 730416285 /nfs/dbraw/zinc/41/62/85/730416285.db2.gz WDOLFOIEFCEIHV-INIZCTEOSA-N 1 0 352.228 2.987 20 10 FFCDRO COCCOc1ncccc1C[NH2+]Cc1c(O)cccc1Br ZINC000858098668 730416494 /nfs/dbraw/zinc/41/64/94/730416494.db2.gz CMAVDXPWNYLPJL-UHFFFAOYSA-N 1 0 367.243 2.865 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858107656 730416780 /nfs/dbraw/zinc/41/67/80/730416780.db2.gz HXJZJCCMZFHEPY-ZDUSSCGKSA-N 1 0 366.255 2.993 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925149596 738483201 /nfs/dbraw/zinc/48/32/01/738483201.db2.gz RYHVGISOQVUCHP-IRXDYDNUSA-N 1 0 363.527 2.894 20 10 FFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247770 730681429 /nfs/dbraw/zinc/68/14/29/730681429.db2.gz BVGHVLYZSBUWSH-ZWKOTPCHSA-N 1 0 354.441 2.783 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862332123 730689066 /nfs/dbraw/zinc/68/90/66/730689066.db2.gz RTNKJOCIIBHFSG-VXGBXAGGSA-N 1 0 372.259 2.697 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862351665 730691052 /nfs/dbraw/zinc/69/10/52/730691052.db2.gz PNPXSGKLOPYAJA-CQSZACIVSA-N 1 0 353.457 2.716 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000862356226 730691264 /nfs/dbraw/zinc/69/12/64/730691264.db2.gz YDQKDMKKKBIIEX-CQSZACIVSA-N 1 0 369.303 2.699 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000862514468 730705831 /nfs/dbraw/zinc/70/58/31/730705831.db2.gz NMDAESJOWUFYTQ-GFCCVEGCSA-N 1 0 374.840 2.910 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c1O ZINC000862536605 730707310 /nfs/dbraw/zinc/70/73/10/730707310.db2.gz QCJJGAYOIAGHTF-UHFFFAOYSA-N 1 0 362.813 2.854 20 10 FFCDRO C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000863541487 730789697 /nfs/dbraw/zinc/78/96/97/730789697.db2.gz MASLMWOHWBYQQC-SECBINFHSA-N 1 0 363.683 2.967 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865781229 730996754 /nfs/dbraw/zinc/99/67/54/730996754.db2.gz JEDLDQUXKCBCOV-AWEZNQCLSA-N 1 0 356.260 2.830 20 10 FFCDRO O=C(CC1CSC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765561 731096812 /nfs/dbraw/zinc/09/68/12/731096812.db2.gz YWZIXZUJGCKHJX-OAHLLOKOSA-N 1 0 354.903 2.879 20 10 FFCDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000872111801 731730842 /nfs/dbraw/zinc/73/08/42/731730842.db2.gz DSEOHNXOLSEOKR-LSDHHAIUSA-N 1 0 350.434 2.656 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@]3(C(F)(F)F)CCCN3)CC2)cc1 ZINC000925859847 738538639 /nfs/dbraw/zinc/53/86/39/738538639.db2.gz SWPVYFOWOWBTEL-KRWDZBQOSA-N 1 0 357.420 2.938 20 10 FFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1Cn1cccn1 ZINC000873059135 731869483 /nfs/dbraw/zinc/86/94/83/731869483.db2.gz XGGUOCWFZHITFA-IBGZPJMESA-N 1 0 357.479 2.999 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000876511554 732253843 /nfs/dbraw/zinc/25/38/43/732253843.db2.gz MEEMXEBPJITTSR-UHFFFAOYSA-N 1 0 367.902 2.685 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1O ZINC000879650022 732742780 /nfs/dbraw/zinc/74/27/80/732742780.db2.gz XZJLOIMMUXUKFS-CYBMUJFWSA-N 1 0 350.440 2.621 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(O)ccc3Cl)cc2)CC1 ZINC000881853798 733120578 /nfs/dbraw/zinc/12/05/78/733120578.db2.gz KVTCHNIJJNZAPB-UHFFFAOYSA-N 1 0 359.857 2.727 20 10 FFCDRO COCc1csc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881855609 733120653 /nfs/dbraw/zinc/12/06/53/733120653.db2.gz YKQMWASYIXQOCB-UHFFFAOYSA-N 1 0 359.495 2.576 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927146409 738696274 /nfs/dbraw/zinc/69/62/74/738696274.db2.gz NTHOQTYIDGSIIA-AAEUAGOBSA-N 1 0 365.275 2.881 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1O ZINC000927155286 738697689 /nfs/dbraw/zinc/69/76/89/738697689.db2.gz JMZGQXALYNIGLI-LKTVYLICSA-N 1 0 356.260 2.735 20 10 FFCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000882908983 733309970 /nfs/dbraw/zinc/30/99/70/733309970.db2.gz JPEKYNLVWFVORP-OAHLLOKOSA-N 1 0 359.495 2.993 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)CC1 ZINC000886324740 733773846 /nfs/dbraw/zinc/77/38/46/733773846.db2.gz FGEKJTBVICDHIH-UHFFFAOYSA-N 1 0 358.873 2.727 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cn(C)nc2Br)c1O ZINC000720646697 734379457 /nfs/dbraw/zinc/37/94/57/734379457.db2.gz QOZLLORRARUVPY-UHFFFAOYSA-N 1 0 360.639 2.840 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000725849369 734396322 /nfs/dbraw/zinc/39/63/22/734396322.db2.gz LKLQNSDGGJBANE-SNVBAGLBSA-N 1 0 352.232 2.674 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ocnc2C(F)F)[NH+](C)C)cc1 ZINC000891247287 734404488 /nfs/dbraw/zinc/40/44/88/734404488.db2.gz SRPSERURDULNCN-CYBMUJFWSA-N 1 0 352.385 2.711 20 10 FFCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892241888 734531804 /nfs/dbraw/zinc/53/18/04/734531804.db2.gz XQKRIZYUCGCOAE-CQSZACIVSA-N 1 0 351.443 2.965 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=S)NCC[NH+](C)C)cc1 ZINC000728793543 734544319 /nfs/dbraw/zinc/54/43/19/734544319.db2.gz RXXWEZMXZBAGDW-UHFFFAOYSA-N 1 0 362.465 2.553 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c(O)c1OC ZINC000893559590 734719387 /nfs/dbraw/zinc/71/93/87/734719387.db2.gz ZOWOYWWJETYMBG-CQSZACIVSA-N 1 0 364.829 2.769 20 10 FFCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000893978722 734781003 /nfs/dbraw/zinc/78/10/03/734781003.db2.gz VOEXTHXKTKRMQP-ZDUSSCGKSA-N 1 0 364.467 2.550 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1O ZINC000894236920 734823015 /nfs/dbraw/zinc/82/30/15/734823015.db2.gz FLPALODLMBOWGX-CYBMUJFWSA-N 1 0 353.365 2.517 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC[S@@](=O)C(C)(C)C)c2cc(F)ccc2n1C ZINC000894283485 734830334 /nfs/dbraw/zinc/83/03/34/734830334.db2.gz GIBZVAWQNQBEIU-RUZDIDTESA-N 1 0 368.474 2.741 20 10 FFCDRO Oc1ccc2ccncc2c1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000738232808 735025415 /nfs/dbraw/zinc/02/54/15/735025415.db2.gz CNBGIANAEQCIRU-UHFFFAOYSA-N 1 0 357.351 2.958 20 10 FFCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCSC1 ZINC000903310080 736073425 /nfs/dbraw/zinc/07/34/25/736073425.db2.gz JVOCGDVFSBHWAQ-RDTXWAMCSA-N 1 0 354.491 2.835 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000903423871 736090953 /nfs/dbraw/zinc/09/09/53/736090953.db2.gz ZWQXIIDOCKYONQ-OAHLLOKOSA-N 1 0 361.511 2.999 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)ccc1O ZINC000903434156 736094015 /nfs/dbraw/zinc/09/40/15/736094015.db2.gz JRMYSHXKXMVXRH-KOLCDFICSA-N 1 0 352.797 2.610 20 10 FFCDRO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000754121862 736128391 /nfs/dbraw/zinc/12/83/91/736128391.db2.gz GKZMAVHCCZGQFT-CQSZACIVSA-N 1 0 354.878 2.980 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000903981513 736199134 /nfs/dbraw/zinc/19/91/34/736199134.db2.gz DUQZGPCMAVYTHD-MWLCHTKSSA-N 1 0 353.182 2.785 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756411895 736329255 /nfs/dbraw/zinc/32/92/55/736329255.db2.gz QYHBHKUTYYDXJB-WFASDCNBSA-N 1 0 370.490 2.873 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756761295 736359411 /nfs/dbraw/zinc/35/94/11/736359411.db2.gz SZUBIACSHFSUSF-WXHSDQCUSA-N 1 0 356.463 2.811 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000757706286 736421379 /nfs/dbraw/zinc/42/13/79/736421379.db2.gz VZXYSNVSGCFDPZ-HNNXBMFYSA-N 1 0 354.516 2.721 20 10 FFCDRO CC1CC[NH+](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000761021575 736688735 /nfs/dbraw/zinc/68/87/35/736688735.db2.gz WCHXDDRVKAMQQG-UHFFFAOYSA-N 1 0 365.861 2.542 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H]1CCCO1 ZINC000761203516 736707524 /nfs/dbraw/zinc/70/75/24/736707524.db2.gz VSKPKBAVEPYXGC-AWEZNQCLSA-N 1 0 357.834 2.598 20 10 FFCDRO O=C(NCCC[NH+]1CCCCC1)NCc1cccc(Br)c1O ZINC000765454524 737120770 /nfs/dbraw/zinc/12/07/70/737120770.db2.gz YLXCLARDUGHKKF-UHFFFAOYSA-N 1 0 370.291 2.830 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](O)C(F)(F)F ZINC000765790254 737158702 /nfs/dbraw/zinc/15/87/02/737158702.db2.gz WNXJLEZDFSZYPM-BXKDBHETSA-N 1 0 372.181 2.955 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc(Cl)c3)CC1)[C@@H](O)CO2 ZINC000768438631 737423208 /nfs/dbraw/zinc/42/32/08/737423208.db2.gz WECFPBWQMSVHDP-SFHVURJKSA-N 1 0 360.841 2.794 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(O)c1 ZINC000768781011 737457268 /nfs/dbraw/zinc/45/72/68/737457268.db2.gz GVGFVQTZPRUULW-UHFFFAOYSA-N 1 0 360.376 2.681 20 10 FFCDRO Cc1cnc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000769458740 737531868 /nfs/dbraw/zinc/53/18/68/737531868.db2.gz ZPCGDPUVFRIVHW-UHFFFAOYSA-N 1 0 358.511 2.610 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCc3nccs3)cc2)CC1 ZINC000918852656 737829499 /nfs/dbraw/zinc/82/94/99/737829499.db2.gz UHOSYLIOYBOPCI-UHFFFAOYSA-N 1 0 358.511 2.534 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000921118320 737946958 /nfs/dbraw/zinc/94/69/58/737946958.db2.gz QGIGDGBPAYUNMR-MRXNPFEDSA-N 1 0 364.559 2.769 20 10 FFCDRO C[C@H](CCO)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000776258028 738175064 /nfs/dbraw/zinc/17/50/64/738175064.db2.gz PAMJYMRULUPWPR-MRXNPFEDSA-N 1 0 350.478 2.941 20 10 FFCDRO CC(C)(C)OCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000778390306 738379373 /nfs/dbraw/zinc/37/93/73/738379373.db2.gz NOGKTUZUHSUTAR-HNNXBMFYSA-N 1 0 354.878 2.941 20 10 FFCDRO CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000788422019 739243927 /nfs/dbraw/zinc/24/39/27/739243927.db2.gz OLIWHSVSPDIBCO-UHFFFAOYSA-N 1 0 361.511 2.635 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000788736689 739278200 /nfs/dbraw/zinc/27/82/00/739278200.db2.gz GPOLKAQARBLTGU-HNNXBMFYSA-N 1 0 354.516 2.721 20 10 FFCDRO COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000790027868 739408473 /nfs/dbraw/zinc/40/84/73/739408473.db2.gz ZUOCBSILBIVZIW-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO CO[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000792237981 739654117 /nfs/dbraw/zinc/65/41/17/739654117.db2.gz LXYDUZUZRDIPPV-RDJZCZTQSA-N 1 0 352.862 2.551 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OC)cc1O)CC(C)C ZINC000792805331 739708436 /nfs/dbraw/zinc/70/84/36/739708436.db2.gz FPVHZOFCBMPNHC-MRXNPFEDSA-N 1 0 351.491 2.957 20 10 FFCDRO COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792958241 739723145 /nfs/dbraw/zinc/72/31/45/739723145.db2.gz VLQIXHRDPPNHQS-MRXNPFEDSA-N 1 0 359.436 2.972 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)N1CCOCC1 ZINC000792976850 739725395 /nfs/dbraw/zinc/72/53/95/739725395.db2.gz SCETVBLOHLCOLI-KBPBESRZSA-N 1 0 359.436 2.970 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000794500655 739898658 /nfs/dbraw/zinc/89/86/58/739898658.db2.gz WYNXWMWFWFJQLB-YOEHRIQHSA-N 1 0 351.491 2.679 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000797999653 740297871 /nfs/dbraw/zinc/29/78/71/740297871.db2.gz UMEODDYMAUNKDM-AWEZNQCLSA-N 1 0 366.458 2.811 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)N1CCCC1 ZINC000798937478 740375342 /nfs/dbraw/zinc/37/53/42/740375342.db2.gz RICFRCLEICQYOA-GJZGRUSLSA-N 1 0 365.905 2.838 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000805071504 740935045 /nfs/dbraw/zinc/93/50/45/740935045.db2.gz WAECQQXGSHOSCX-ZIAGYGMSSA-N 1 0 368.275 2.581 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000808691568 741252435 /nfs/dbraw/zinc/25/24/35/741252435.db2.gz SMUBERYEWOUJLD-RHSMWYFYSA-N 1 0 367.921 2.947 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000808711342 741254811 /nfs/dbraw/zinc/25/48/11/741254811.db2.gz CJKVFTYWIARSKB-VNBZBWLYSA-N 1 0 365.861 2.725 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000808711977 741255020 /nfs/dbraw/zinc/25/50/20/741255020.db2.gz XUTMKMLAYFYLHR-MQIPJXDCSA-N 1 0 362.861 2.932 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000808711976 741255119 /nfs/dbraw/zinc/25/51/19/741255119.db2.gz XUTMKMLAYFYLHR-MKBNYLNASA-N 1 0 362.861 2.932 20 10 FFCDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000809609923 741321250 /nfs/dbraw/zinc/32/12/50/741321250.db2.gz RWRHFRYLUPIIAS-LBPRGKRZSA-N 1 0 365.474 2.586 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000809764223 741341360 /nfs/dbraw/zinc/34/13/60/741341360.db2.gz CNPBSJNFLRRDOB-RISCZKNCSA-N 1 0 357.292 2.935 20 10 FFCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809779493 741342646 /nfs/dbraw/zinc/34/26/46/741342646.db2.gz OYFPOOHVCJCBGH-ZDUSSCGKSA-N 1 0 357.248 2.865 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1 ZINC000814172467 741800597 /nfs/dbraw/zinc/80/05/97/741800597.db2.gz OVCCUJCQGQLTEP-KBPBESRZSA-N 1 0 354.422 2.838 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)C(C)(F)F)cc2F)CC1 ZINC000815492672 741939612 /nfs/dbraw/zinc/93/96/12/741939612.db2.gz RKBYNXTZMTZETJ-CYBMUJFWSA-N 1 0 357.420 2.875 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816535347 742039584 /nfs/dbraw/zinc/03/95/84/742039584.db2.gz MLOTYRHYTVPOQT-UHFFFAOYSA-N 1 0 362.495 2.839 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816667773 742052147 /nfs/dbraw/zinc/05/21/47/742052147.db2.gz WGPFCZRQKRUFOD-IAGOWNOFSA-N 1 0 370.287 2.873 20 10 FFCDRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000817410917 742139247 /nfs/dbraw/zinc/13/92/47/742139247.db2.gz JRKKOFXHKIOYCI-NSHDSACASA-N 1 0 371.275 2.511 20 10 FFCDRO C[C@@H]1C[C@@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000817860668 742218272 /nfs/dbraw/zinc/21/82/72/742218272.db2.gz RARLPTPIDNMSIJ-NFAWXSAZSA-N 1 0 358.511 2.762 20 10 FFCDRO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120043 742339696 /nfs/dbraw/zinc/33/96/96/742339696.db2.gz IQYRWBBWDARREF-GDBMZVCRSA-N 1 0 358.429 2.632 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(C(F)(F)F)c1 ZINC000824582838 743111650 /nfs/dbraw/zinc/11/16/50/743111650.db2.gz CAWWVDPGRGCBLE-OAHLLOKOSA-N 1 0 359.436 2.708 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000824702946 743131572 /nfs/dbraw/zinc/13/15/72/743131572.db2.gz USYZBAJSYBUGQC-MRXNPFEDSA-N 1 0 369.303 2.841 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124674 743214333 /nfs/dbraw/zinc/21/43/33/743214333.db2.gz VUYIRQIBEQAMLU-PRHODGIISA-N 1 0 354.166 2.900 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825156160 743219885 /nfs/dbraw/zinc/21/98/85/743219885.db2.gz PRIXSDXKKKCOQX-UHFFFAOYSA-N 1 0 368.886 2.731 20 10 FFCDRO OCC1([C@@H]([NH2+]Cc2ccc(Br)cc2O)C2CC2)CCOCC1 ZINC000826016739 743356473 /nfs/dbraw/zinc/35/64/73/743356473.db2.gz LHAVRYVTYJMKTA-INIZCTEOSA-N 1 0 370.287 2.812 20 10 FFCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1Cl ZINC000826036455 743360376 /nfs/dbraw/zinc/36/03/76/743360376.db2.gz KEELDLDBZKDJFW-CYBMUJFWSA-N 1 0 358.866 2.671 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(O)(C(F)F)CC3)cc2)CC1 ZINC000828988226 745151397 /nfs/dbraw/zinc/15/13/97/745151397.db2.gz SSRYHCHAUXFSOG-UHFFFAOYSA-N 1 0 354.441 2.894 20 10 FFCDRO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[N@@H+]1C ZINC000830350343 745341492 /nfs/dbraw/zinc/34/14/92/745341492.db2.gz ACCVTWNTOBFJOJ-CJNGLKHVSA-N 1 0 358.511 2.871 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000832505422 745709365 /nfs/dbraw/zinc/70/93/65/745709365.db2.gz IBAMNIMRMYEHGB-HXUWFJFHSA-N 1 0 361.555 2.930 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000833566105 745788190 /nfs/dbraw/zinc/78/81/90/745788190.db2.gz QZMSNTDZMMNVND-INIZCTEOSA-N 1 0 361.511 2.732 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000835080734 745946712 /nfs/dbraw/zinc/94/67/12/745946712.db2.gz AODNTKDRVBFRMV-OAHLLOKOSA-N 1 0 354.422 2.647 20 10 FFCDRO Cc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c(O)c1O ZINC000837185047 746387708 /nfs/dbraw/zinc/38/77/08/746387708.db2.gz QZJKEITXQZWTOH-UHFFFAOYSA-N 1 0 360.376 2.895 20 10 FFCDRO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+](C2CC2)C1 ZINC000838517562 746657083 /nfs/dbraw/zinc/65/70/83/746657083.db2.gz XIDWSCQGFYNAQP-ZDUSSCGKSA-N 1 0 354.545 2.751 20 10 FFCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840888729 747213688 /nfs/dbraw/zinc/21/36/88/747213688.db2.gz BVRSZUDOCYAHDY-KBPBESRZSA-N 1 0 353.894 2.740 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000840936314 747234214 /nfs/dbraw/zinc/23/42/14/747234214.db2.gz JCESUNCAYAQHDX-UHFFFAOYSA-N 1 0 350.459 2.764 20 10 FFCDRO [NH3+][C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1[O-])C1CC1 ZINC000841048341 747260623 /nfs/dbraw/zinc/26/06/23/747260623.db2.gz CUFUQFWNMORSRN-NSHDSACASA-N 1 0 364.081 2.744 20 10 FFCDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841896573 747484012 /nfs/dbraw/zinc/48/40/12/747484012.db2.gz LRZGNDQJHYWTCM-CQSZACIVSA-N 1 0 352.910 2.937 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2Cl)C1 ZINC000841895394 747484116 /nfs/dbraw/zinc/48/41/16/747484116.db2.gz BJIOYWFUBSNPFS-UKRRQHHQSA-N 1 0 350.894 2.737 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000842724470 747670016 /nfs/dbraw/zinc/67/00/16/747670016.db2.gz XDHLBVJLBFKMDX-LBPRGKRZSA-N 1 0 367.854 2.679 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125070 747777523 /nfs/dbraw/zinc/77/75/23/747777523.db2.gz MWOFPRPKYOIZMS-AWEZNQCLSA-N 1 0 369.303 2.650 20 10 FFCDRO COc1cccc(SCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843296367 747806751 /nfs/dbraw/zinc/80/67/51/747806751.db2.gz BOEYEUARFMHEJJ-SFHVURJKSA-N 1 0 359.495 2.670 20 10 FFCDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000843417440 747833424 /nfs/dbraw/zinc/83/34/24/747833424.db2.gz UHGMOVDHBLOFJQ-NEPJUHHUSA-N 1 0 352.431 2.902 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843433118 747835581 /nfs/dbraw/zinc/83/55/81/747835581.db2.gz UGKBSXWTSAOEIP-AWEZNQCLSA-N 1 0 366.767 2.555 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843432803 747835632 /nfs/dbraw/zinc/83/56/32/747835632.db2.gz QCUUJFMCIBCECY-VGOKWCNXSA-N 1 0 355.404 2.766 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846146066 748415233 /nfs/dbraw/zinc/41/52/33/748415233.db2.gz PUKWJIDHAKKIMC-QWHCGFSZSA-N 1 0 364.467 2.721 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCOCC2)c1O ZINC000848514935 748947523 /nfs/dbraw/zinc/94/75/23/748947523.db2.gz UFJBXIPNYFERDV-LBPRGKRZSA-N 1 0 373.291 2.536 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCC(=O)N(C)C)c1O ZINC000848525318 748949249 /nfs/dbraw/zinc/94/92/49/748949249.db2.gz MPWDHCXBIPJPRA-JTQLQIEISA-N 1 0 359.264 2.682 20 10 FFCDRO CCc1nncn1CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531464 748951484 /nfs/dbraw/zinc/95/14/84/748951484.db2.gz OTGXYCAKFCYSJE-SNVBAGLBSA-N 1 0 369.263 2.668 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCNc2cnccn2)c1O ZINC000848532895 748951908 /nfs/dbraw/zinc/95/19/08/748951908.db2.gz LROQRYWFXCUBHD-JTQLQIEISA-N 1 0 367.247 2.716 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000848536279 748953917 /nfs/dbraw/zinc/95/39/17/748953917.db2.gz PICANRCULAUEFW-PGUXBMHVSA-N 1 0 373.291 2.533 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000848595231 748969786 /nfs/dbraw/zinc/96/97/86/748969786.db2.gz JOIPYLWJCRSVHY-OAHLLOKOSA-N 1 0 358.408 2.612 20 10 FFCDRO CCc1cccc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000848901381 749030389 /nfs/dbraw/zinc/03/03/89/749030389.db2.gz YSAZJYKHPSIKNW-INIZCTEOSA-N 1 0 357.376 2.618 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850294698 749336234 /nfs/dbraw/zinc/33/62/34/749336234.db2.gz LQEVFPAAWVPLNH-LBPRGKRZSA-N 1 0 355.500 2.754 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C(F)(F)F)cnn3C)C2)cc1 ZINC000850345937 749346149 /nfs/dbraw/zinc/34/61/49/749346149.db2.gz ACLMPBPVRGGKFN-GFCCVEGCSA-N 1 0 354.376 2.816 20 10 FFCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)[C@]1(O)CCCOC1 ZINC000850400874 749360023 /nfs/dbraw/zinc/36/00/23/749360023.db2.gz PNWUGYRXUUYYNA-INIZCTEOSA-N 1 0 358.276 2.812 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)cc2)CC1 ZINC000850507467 749378172 /nfs/dbraw/zinc/37/81/72/749378172.db2.gz OHADQUVLVBOMAX-PMACEKPBSA-N 1 0 362.539 2.980 20 10 FFCDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000853625822 750117785 /nfs/dbraw/zinc/11/77/85/750117785.db2.gz ZCVOTJSJCZRPRK-QGZVFWFLSA-N 1 0 350.503 2.938 20 10 FFCDRO COC[C@]1(C[NH2+]Cc2ccccc2O)CCCN1C(=O)OC(C)(C)C ZINC000385123422 845826304 /nfs/dbraw/zinc/82/63/04/845826304.db2.gz SLKLQEQLAQEODA-LJQANCHMSA-N 1 0 350.459 2.898 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000397476287 845868768 /nfs/dbraw/zinc/86/87/68/845868768.db2.gz UUNXJRRATCPMDO-CQSZACIVSA-N 1 0 356.850 2.771 20 10 FFCDRO COc1cc(N2CC[NH+](CC[C@H]3CCCCO3)CC2)cc(OC)c1OC ZINC000759878858 971878665 /nfs/dbraw/zinc/87/86/65/971878665.db2.gz PESMAGMMXQINTA-QGZVFWFLSA-N 1 0 364.486 2.794 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2O)N1Cc1cnoc1 ZINC001275895144 1013152774 /nfs/dbraw/zinc/15/27/74/1013152774.db2.gz FLGWHPIVPYBONB-HZPDHXFCSA-N 1 0 361.829 2.799 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC000748078407 959580312 /nfs/dbraw/zinc/58/03/12/959580312.db2.gz NOQUWKNCOZLXKA-UHFFFAOYSA-N 1 0 364.392 2.715 20 10 FFCDRO CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)OCC1=O ZINC001275952386 1013222336 /nfs/dbraw/zinc/22/23/36/1013222336.db2.gz XHHAQGUFTTUADC-NRFANRHFSA-N 1 0 359.514 2.664 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951034 1013223176 /nfs/dbraw/zinc/22/31/76/1013223176.db2.gz COORBDLJMNWHFL-OAQYLSRUSA-N 1 0 359.514 2.664 20 10 FFCDRO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccc(O)c1 ZINC000891246093 962565717 /nfs/dbraw/zinc/56/57/17/962565717.db2.gz MBHZFTJWEYSDNO-YWZLYKJASA-N 1 0 355.482 2.981 20 10 FFCDRO CCc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000891246956 962570775 /nfs/dbraw/zinc/57/07/75/962570775.db2.gz FRJGDQBEVRBWMR-HXUWFJFHSA-N 1 0 354.498 2.672 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C(C)C ZINC000891247775 962579715 /nfs/dbraw/zinc/57/97/15/962579715.db2.gz KHRUWSWXQDZBIW-IBGZPJMESA-N 1 0 357.502 2.871 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)[NH+](C)C)cc1 ZINC000891248919 962590337 /nfs/dbraw/zinc/59/03/37/962590337.db2.gz OOTTYTAJJNZMDK-PWRODBHTSA-N 1 0 367.493 2.981 20 10 FFCDRO Cc1cccnc1/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250036 962595158 /nfs/dbraw/zinc/59/51/58/962595158.db2.gz YDGFQCHIZANRTD-GHYICZDASA-N 1 0 352.482 2.888 20 10 FFCDRO COCc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000891251674 962603462 /nfs/dbraw/zinc/60/34/62/962603462.db2.gz DRLYDGSTSXRTJE-HXUWFJFHSA-N 1 0 355.482 2.932 20 10 FFCDRO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001276063667 1013387096 /nfs/dbraw/zinc/38/70/96/1013387096.db2.gz IYVGCPFSCOYUKW-LJQANCHMSA-N 1 0 350.434 2.525 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4c3CCCN4)cc2)CC1 ZINC001167427051 963028585 /nfs/dbraw/zinc/02/85/85/963028585.db2.gz VSQPMXZFMJFYCQ-UHFFFAOYSA-N 1 0 372.904 2.852 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)cc1 ZINC000891489184 964381590 /nfs/dbraw/zinc/38/15/90/964381590.db2.gz PHHGRYOQTIRHEA-QGZVFWFLSA-N 1 0 374.529 2.741 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000891533055 964433425 /nfs/dbraw/zinc/43/34/25/964433425.db2.gz QSLHFFWGMPGTJY-UXHICEINSA-N 1 0 356.514 2.959 20 10 FFCDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C ZINC001266841085 964535772 /nfs/dbraw/zinc/53/57/72/964535772.db2.gz LKSHYDKPLPMSDE-RBUKOAKNSA-N 1 0 353.466 2.750 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000262025505 965355142 /nfs/dbraw/zinc/35/51/42/965355142.db2.gz AWCDTEGPYLGDKT-FQEVSTJZSA-N 1 0 366.509 2.522 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c2cc(F)ccc2n1C ZINC000894779738 965687848 /nfs/dbraw/zinc/68/78/48/965687848.db2.gz NMORDQRUDYEKSH-CYBMUJFWSA-N 1 0 370.428 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3N)cc2)CC1 ZINC001176083608 1013618784 /nfs/dbraw/zinc/61/87/84/1013618784.db2.gz PJCOPVCFFJVDPT-UHFFFAOYSA-N 1 0 358.873 2.604 20 10 FFCDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC23CCOCC3)cn1 ZINC000894888664 966094208 /nfs/dbraw/zinc/09/42/08/966094208.db2.gz PCFBMVVYDILBEV-INIZCTEOSA-N 1 0 363.408 2.800 20 10 FFCDRO O=C(c1cc2cc(O)c(O)cc2[nH]1)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001270954509 967871414 /nfs/dbraw/zinc/87/14/14/967871414.db2.gz XIMDKRSCESPMIR-YVEFUNNKSA-N 1 0 355.438 2.668 20 10 FFCDRO Cc1ccncc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895186301 968218306 /nfs/dbraw/zinc/21/83/06/968218306.db2.gz JYSSSSYCZAHGNW-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO CCn1cc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)c(C)n1 ZINC000892462923 968875245 /nfs/dbraw/zinc/87/52/45/968875245.db2.gz WTPSYXCTVBZINR-UHFFFAOYSA-N 1 0 371.529 2.522 20 10 FFCDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)c1 ZINC000892861346 970335065 /nfs/dbraw/zinc/33/50/65/970335065.db2.gz VDIVQSMMMHPURE-HNNXBMFYSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000875158793 1013981674 /nfs/dbraw/zinc/98/16/74/1013981674.db2.gz RWEQHAGAVIGXKV-KRWDZBQOSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCC1 ZINC000653147086 1014236145 /nfs/dbraw/zinc/23/61/45/1014236145.db2.gz NAKYKVDFCGNHNJ-GJZGRUSLSA-N 1 0 355.482 2.772 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cc2c(cn1)OCCO2)C[C@@H]1CCCO1 ZINC000876531762 1014294743 /nfs/dbraw/zinc/29/47/43/1014294743.db2.gz ODRRNPVPZYOMSX-KRWDZBQOSA-N 1 0 356.422 2.740 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)N(C)C)cc1 ZINC000898448219 976459748 /nfs/dbraw/zinc/45/97/48/976459748.db2.gz QVPBUQOKCKXAKO-AZUAARDMSA-N 1 0 361.530 2.673 20 10 FFCDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876643356 1014337284 /nfs/dbraw/zinc/33/72/84/1014337284.db2.gz CYKBGNIZYGALKI-UHFFFAOYSA-N 1 0 373.541 2.728 20 10 FFCDRO Cc1ccc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000899104222 976913308 /nfs/dbraw/zinc/91/33/08/976913308.db2.gz QVEANHVIXJXOPN-FQEVSTJZSA-N 1 0 369.513 2.900 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000899103184 976914076 /nfs/dbraw/zinc/91/40/76/976914076.db2.gz XHOIIIQZYUIQTM-RBUKOAKNSA-N 1 0 362.518 2.566 20 10 FFCDRO Cc1cccc(O)c1C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000876727835 1014366289 /nfs/dbraw/zinc/36/62/89/1014366289.db2.gz SRUDXWKWMKFBIS-UHFFFAOYSA-N 1 0 351.450 2.940 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CC3CC3)CC3CCC3)CC2)cc1 ZINC000796575623 1014374281 /nfs/dbraw/zinc/37/42/81/1014374281.db2.gz PLMRGYWXNDRABT-UHFFFAOYSA-N 1 0 371.525 2.856 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876872389 1014405948 /nfs/dbraw/zinc/40/59/48/1014405948.db2.gz CLNIMYMYCONLMD-HGMNQLKASA-N 1 0 371.525 2.816 20 10 FFCDRO Cc1ccc(C[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c(O)c1 ZINC000876950677 1014431351 /nfs/dbraw/zinc/43/13/51/1014431351.db2.gz SEBDGWZDVIKHAC-UHFFFAOYSA-N 1 0 354.450 2.690 20 10 FFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000894196283 978131970 /nfs/dbraw/zinc/13/19/70/978131970.db2.gz UFFGVSYHFXNNKU-UHFFFAOYSA-N 1 0 358.438 2.514 20 10 FFCDRO CO[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000877072192 1014468036 /nfs/dbraw/zinc/46/80/36/1014468036.db2.gz XZEXWVSGJHIERE-RLFYNMQTSA-N 1 0 370.440 2.898 20 10 FFCDRO CCCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000825952539 1014543849 /nfs/dbraw/zinc/54/38/49/1014543849.db2.gz BVJFEZAUJIETMJ-FXAWDEMLSA-N 1 0 374.529 2.710 20 10 FFCDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877315303 1014546145 /nfs/dbraw/zinc/54/61/45/1014546145.db2.gz PHEVFTWJBDNFHZ-UHFFFAOYSA-N 1 0 359.514 2.527 20 10 FFCDRO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c(O)c1 ZINC000877522898 1014611579 /nfs/dbraw/zinc/61/15/79/1014611579.db2.gz DWADNLRGLRRPDK-UHFFFAOYSA-N 1 0 355.482 2.820 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000877538439 1014618806 /nfs/dbraw/zinc/61/88/06/1014618806.db2.gz COWOKCKDQXYWKO-XZOQPEGZSA-N 1 0 366.505 2.904 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccccc3C[NH3+])CC2)cc1F ZINC000904653348 980318551 /nfs/dbraw/zinc/31/85/51/980318551.db2.gz ZEBIZQZDTQJWIU-UHFFFAOYSA-N 1 0 358.417 2.647 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000905083704 980375793 /nfs/dbraw/zinc/37/57/93/980375793.db2.gz QWQXVXTYGBEBCS-IFMALSPDSA-N 1 0 370.493 2.738 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000905083709 980375892 /nfs/dbraw/zinc/37/58/92/980375892.db2.gz QWQXVXTYGBEBCS-UNMCSNQZSA-N 1 0 370.493 2.738 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000905456059 980447165 /nfs/dbraw/zinc/44/71/65/980447165.db2.gz FGFCLJHDEGTRAI-IBGZPJMESA-N 1 0 359.514 2.604 20 10 FFCDRO CO[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)Cc3cccnc3N2C1 ZINC000877688870 1014684512 /nfs/dbraw/zinc/68/45/12/1014684512.db2.gz WIISUWIELCXIQZ-WOJBJXKFSA-N 1 0 352.482 2.757 20 10 FFCDRO CCc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1O ZINC000877692309 1014689059 /nfs/dbraw/zinc/68/90/59/1014689059.db2.gz YCSBYOZDJGREDF-RBUKOAKNSA-N 1 0 353.466 2.959 20 10 FFCDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877696888 1014690325 /nfs/dbraw/zinc/69/03/25/1014690325.db2.gz ADTLDHIQHQCUPM-QFIPXVFZSA-N 1 0 372.484 2.870 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H]3CCN(C(C)=O)C3)cc2)CC1 ZINC001168193509 980954745 /nfs/dbraw/zinc/95/47/45/980954745.db2.gz QUTLBWGFBAOONJ-LJQANCHMSA-N 1 0 359.514 2.602 20 10 FFCDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877733719 1014702753 /nfs/dbraw/zinc/70/27/53/1014702753.db2.gz XSTDGKBOIITKLK-QFIPXVFZSA-N 1 0 351.494 2.924 20 10 FFCDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000907493836 981257883 /nfs/dbraw/zinc/25/78/83/981257883.db2.gz VAZFAXNVRVYORF-SFHVURJKSA-N 1 0 360.546 2.736 20 10 FFCDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000841739635 981315823 /nfs/dbraw/zinc/31/58/23/981315823.db2.gz AIBFOYYKXKVSHH-JXFKEZNVSA-N 1 0 374.529 2.791 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2nccc3c(=O)[nH]cnc32)[NH+](C)C)cc1 ZINC000897523603 981429680 /nfs/dbraw/zinc/42/96/80/981429680.db2.gz VFKBFDUOFKNASH-MRXNPFEDSA-N 1 0 352.442 2.511 20 10 FFCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001142509010 982464642 /nfs/dbraw/zinc/46/46/42/982464642.db2.gz SWTWIQROPUBCHA-CYBMUJFWSA-N 1 0 372.412 2.738 20 10 FFCDRO Nc1ccc(CCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000841960269 982472352 /nfs/dbraw/zinc/47/23/52/982472352.db2.gz ZRFCVRFNQLGCCK-BGYRXZFFSA-N 1 0 364.493 2.585 20 10 FFCDRO COC(=O)c1cc(C2C[NH+](Cc3cc(OC)cc(C(C)(C)C)c3O)C2)[nH]n1 ZINC000898001756 982574569 /nfs/dbraw/zinc/57/45/69/982574569.db2.gz IITFNHWGAWHJFM-UHFFFAOYSA-N 1 0 373.453 2.807 20 10 FFCDRO NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142530388 982612273 /nfs/dbraw/zinc/61/22/73/982612273.db2.gz GVSZUCNUFFMYRA-OAHLLOKOSA-N 1 0 362.376 2.813 20 10 FFCDRO COc1cc(O)c(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)cc1OC ZINC000898167477 982632923 /nfs/dbraw/zinc/63/29/23/982632923.db2.gz GSPAANGUVHBVBX-HNNXBMFYSA-N 1 0 355.438 2.789 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912901010 984143626 /nfs/dbraw/zinc/14/36/26/984143626.db2.gz WTIVBTKZBUYVNG-FQEVSTJZSA-N 1 0 351.450 2.827 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000056352335 984431998 /nfs/dbraw/zinc/43/19/98/984431998.db2.gz UINLTXCPLJFUCW-LJQANCHMSA-N 1 0 354.498 2.725 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)ccc21 ZINC000764842437 984740403 /nfs/dbraw/zinc/74/04/03/984740403.db2.gz ULVCKPPNTMJTND-IBGZPJMESA-N 1 0 356.514 2.885 20 10 FFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)n1 ZINC000765252172 985006490 /nfs/dbraw/zinc/00/64/90/985006490.db2.gz IELIFGXWHAAEMA-KDOFPFPSSA-N 1 0 367.497 2.646 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c4c(nn3C)CCC4)cc2F)C[C@H](C)O1 ZINC000921553901 985305812 /nfs/dbraw/zinc/30/58/12/985305812.db2.gz YJPPWIMMMLGICA-GASCZTMLSA-N 1 0 372.488 2.951 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1 ZINC000921576148 985408854 /nfs/dbraw/zinc/40/88/54/985408854.db2.gz WXDSCFQETDBTFM-LJQANCHMSA-N 1 0 367.493 2.995 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)C3CCCC3)CC2)cc1 ZINC000172304140 985512185 /nfs/dbraw/zinc/51/21/85/985512185.db2.gz GBQXGUIHJKBTHQ-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000186198135 985678859 /nfs/dbraw/zinc/67/88/59/985678859.db2.gz SZSZIXMWULALAH-KBPBESRZSA-N 1 0 353.422 2.850 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000174201896 986117397 /nfs/dbraw/zinc/11/73/97/986117397.db2.gz UBKIUFUPFJTBCA-LJQANCHMSA-N 1 0 367.493 2.888 20 10 FFCDRO COc1cccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000073677753 987049477 /nfs/dbraw/zinc/04/94/77/987049477.db2.gz DFOWKYCOFWPBHQ-IYBDPMFKSA-N 1 0 363.502 2.958 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1ccccc1)cc2=O ZINC000113149122 987409570 /nfs/dbraw/zinc/40/95/70/987409570.db2.gz VRECIULHYUSHEL-ZDUSSCGKSA-N 1 0 354.410 2.805 20 10 FFCDRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC000152938766 987498153 /nfs/dbraw/zinc/49/81/53/987498153.db2.gz NRJTUYKAQSRFJB-OAQYLSRUSA-N 1 0 357.498 2.753 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000176583229 987934910 /nfs/dbraw/zinc/93/49/10/987934910.db2.gz XZAZRBQYURXVKN-IEBWSBKVSA-N 1 0 374.529 2.790 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)cc2)CC1 ZINC000922338161 988448891 /nfs/dbraw/zinc/44/88/91/988448891.db2.gz IEAPOFVTJLYYNO-SLFFLAALSA-N 1 0 371.525 2.683 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)c1 ZINC000922338478 988451287 /nfs/dbraw/zinc/45/12/87/988451287.db2.gz LGHNBTMEOXHIRO-UHFFFAOYSA-N 1 0 367.493 2.995 20 10 FFCDRO COc1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC000879235690 1015427117 /nfs/dbraw/zinc/42/71/17/1015427117.db2.gz RBXICATYTQEEJJ-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO Oc1cc(I)ccc1CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236241628 990733825 /nfs/dbraw/zinc/73/38/25/990733825.db2.gz RLENANDOPMOXJQ-CQSZACIVSA-N 1 0 372.250 2.713 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000879651571 1015627456 /nfs/dbraw/zinc/62/74/56/1015627456.db2.gz BOBHVEXSRKOSJM-DLBZAZTESA-N 1 0 353.466 2.686 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000181820009 991890485 /nfs/dbraw/zinc/89/04/85/991890485.db2.gz MDBBTVLSJZUVJM-OAHLLOKOSA-N 1 0 370.453 2.936 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000182320934 992008521 /nfs/dbraw/zinc/00/85/21/992008521.db2.gz ZEESRWZHHNYBJB-GUYCJALGSA-N 1 0 356.422 2.691 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000183437343 992447183 /nfs/dbraw/zinc/44/71/83/992447183.db2.gz YFDLKXONVCDFAX-INIZCTEOSA-N 1 0 363.502 2.986 20 10 FFCDRO CC(C)c1cc(N2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC001089867111 992683433 /nfs/dbraw/zinc/68/34/33/992683433.db2.gz BDKIMZSJXAZXRJ-SJLPKXTDSA-N 1 0 371.529 2.583 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C)cn3)cc2F)CC1 ZINC000184301258 992714465 /nfs/dbraw/zinc/71/44/65/992714465.db2.gz IGPLKCSXQNSCMD-UHFFFAOYSA-N 1 0 371.460 2.993 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)n1-c1ccc(F)cn1 ZINC000880141717 1015766241 /nfs/dbraw/zinc/76/62/41/1015766241.db2.gz KQBYWGWYIUNTGN-OALUTQOASA-N 1 0 370.472 2.979 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])c(F)c3)cc2)CC1 ZINC001598624276 994060687 /nfs/dbraw/zinc/06/06/87/994060687.db2.gz HYTDUOBUXKOPNI-UHFFFAOYSA-N 1 0 357.429 2.566 20 10 FFCDRO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1C ZINC000809538671 994535041 /nfs/dbraw/zinc/53/50/41/994535041.db2.gz QJXHLGVRQJZUGS-KRWDZBQOSA-N 1 0 358.438 2.699 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCCCO3)C2)cc1C ZINC001086674840 994574559 /nfs/dbraw/zinc/57/45/59/994574559.db2.gz WQDZZAUHPHYGCQ-NSHGMRRFSA-N 1 0 360.498 2.947 20 10 FFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809714088 994590826 /nfs/dbraw/zinc/59/08/26/994590826.db2.gz XWPCUPFJXBMEJS-QGZVFWFLSA-N 1 0 363.477 2.543 20 10 FFCDRO CCOc1ccc(CN(Cc2ccccc2)[C@H](C(=O)OC)[C@@H](C)O)c(O)c1 ZINC000811509962 995171293 /nfs/dbraw/zinc/17/12/93/995171293.db2.gz NLTIJPDVGLDMNZ-QRWLVFNGSA-N 1 0 373.449 2.716 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001132898986 995193714 /nfs/dbraw/zinc/19/37/14/995193714.db2.gz IZCJVJZBZKUSSF-LEWJYISDSA-N 1 0 367.468 2.997 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)Oc3ccccc3)cc2)CC1 ZINC001133123355 995332814 /nfs/dbraw/zinc/33/28/14/995332814.db2.gz IGEGNYUXWCOVHQ-UHFFFAOYSA-N 1 0 367.493 2.912 20 10 FFCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCCC2 ZINC000812773918 995531868 /nfs/dbraw/zinc/53/18/68/995531868.db2.gz ZSDCPGGBBWZBTF-UHFFFAOYSA-N 1 0 358.461 2.564 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C)nc(C)n3)C[C@H]2C)cc1C ZINC001082804853 995536245 /nfs/dbraw/zinc/53/62/45/995536245.db2.gz JGMXEORVPUUGKM-AUUYWEPGSA-N 1 0 368.481 2.661 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccoc2)ccc1N1CCN(c2ncccn2)CC1 ZINC000727468474 995834055 /nfs/dbraw/zinc/83/40/55/995834055.db2.gz HQPKWZQGSVYRHP-UHFFFAOYSA-N 1 0 367.428 2.825 20 10 FFCDRO CCc1cc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)ncn1 ZINC000730106762 996833769 /nfs/dbraw/zinc/83/37/69/996833769.db2.gz RBDVOOHJGZGQKD-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1Cl ZINC000824913060 997132757 /nfs/dbraw/zinc/13/27/57/997132757.db2.gz GZGOWEXQSJUTOK-CYBMUJFWSA-N 1 0 372.860 2.502 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1Cl ZINC000825185037 997243249 /nfs/dbraw/zinc/24/32/49/997243249.db2.gz HCCYTPILSXGKNY-LJQANCHMSA-N 1 0 373.840 2.698 20 10 FFCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000844177723 997696968 /nfs/dbraw/zinc/69/69/68/997696968.db2.gz FRHUNZNSBZWQEP-SUMWQHHRSA-N 1 0 367.440 2.761 20 10 FFCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000844188075 997699385 /nfs/dbraw/zinc/69/93/85/997699385.db2.gz NWCMZKZVSQLOSS-KEYYUXOJSA-N 1 0 367.440 2.761 20 10 FFCDRO COc1ccc([C@H](C[NH3+])CN2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000844221295 997711576 /nfs/dbraw/zinc/71/15/76/997711576.db2.gz MGWVINMYQTVKKI-QGZVFWFLSA-N 1 0 373.472 2.707 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000844400460 997862304 /nfs/dbraw/zinc/86/23/04/997862304.db2.gz CAXOLPFCDGDSRS-LJQANCHMSA-N 1 0 359.426 2.705 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000844879761 998221812 /nfs/dbraw/zinc/22/18/12/998221812.db2.gz KJUGUKNUGIIPMB-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000844939599 998244143 /nfs/dbraw/zinc/24/41/43/998244143.db2.gz OXTLTPZRWJXJQX-QFIPXVFZSA-N 1 0 367.493 2.571 20 10 FFCDRO [O-]c1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001144308032 998304824 /nfs/dbraw/zinc/30/48/24/998304824.db2.gz HPCVUIILMRMVGN-LLVKDONJSA-N 1 0 368.206 2.737 20 10 FFCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500661 998608915 /nfs/dbraw/zinc/60/89/15/998608915.db2.gz YHZUCIAQZNVYCK-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499548 998609120 /nfs/dbraw/zinc/60/91/20/998609120.db2.gz IGRWEIUYVVGMHU-CHWSQXEVSA-N 1 0 366.458 2.929 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001144504637 998612162 /nfs/dbraw/zinc/61/21/62/998612162.db2.gz YGYRDXCYSRISIR-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)CN1c1cccc(F)c1 ZINC001144508803 998621542 /nfs/dbraw/zinc/62/15/42/998621542.db2.gz YTBGQESEBKXPLH-HXUWFJFHSA-N 1 0 372.396 2.572 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cc(O)cc2O)C(C)(C)C1 ZINC001144514780 998625989 /nfs/dbraw/zinc/62/59/89/998625989.db2.gz RTACEDCAOZEZLX-UHFFFAOYSA-N 1 0 352.431 2.635 20 10 FFCDRO CCOc1ccccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733331094 998964300 /nfs/dbraw/zinc/96/43/00/998964300.db2.gz ZWWQJQHPMHNLHZ-UHFFFAOYSA-N 1 0 374.506 2.610 20 10 FFCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000736196272 999547836 /nfs/dbraw/zinc/54/78/36/999547836.db2.gz VBQOMLRPRSBCJO-UHFFFAOYSA-N 1 0 373.541 2.778 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C ZINC000740007003 999657262 /nfs/dbraw/zinc/65/72/62/999657262.db2.gz PYXLVVVKJWQSKC-LEWJYISDSA-N 1 0 354.494 2.976 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1F ZINC000742393160 999771988 /nfs/dbraw/zinc/77/19/88/999771988.db2.gz VQZBWLIFAYPAHV-RDTXWAMCSA-N 1 0 373.476 2.689 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000744385284 999854950 /nfs/dbraw/zinc/85/49/50/999854950.db2.gz XATZRJKLWVLEQM-IBGZPJMESA-N 1 0 369.513 2.812 20 10 FFCDRO CCOC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001169680728 1000068130 /nfs/dbraw/zinc/06/81/30/1000068130.db2.gz YFWHROXWZMMXML-KRWDZBQOSA-N 1 0 361.486 2.828 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(O)(C(C)C)C2)C1 ZINC000768302105 1000203087 /nfs/dbraw/zinc/20/30/87/1000203087.db2.gz IEBDTKKOHWZLSZ-UHFFFAOYSA-N 1 0 369.509 2.637 20 10 FFCDRO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000846143565 1000218480 /nfs/dbraw/zinc/21/84/80/1000218480.db2.gz JMNLRDHNAHPPRN-UHFFFAOYSA-N 1 0 352.482 2.788 20 10 FFCDRO Cc1ncc2n1C[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CC2 ZINC000846259931 1000247225 /nfs/dbraw/zinc/24/72/25/1000247225.db2.gz CJVCSYIXGRZXBL-CRAIPNDOSA-N 1 0 354.498 2.876 20 10 FFCDRO CCN(C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1)CC(F)(F)F ZINC000768464313 1000262722 /nfs/dbraw/zinc/26/27/22/1000262722.db2.gz PZUWEDDJAQCCPY-MLGOLLRUSA-N 1 0 374.403 2.524 20 10 FFCDRO CC[C@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000768533414 1000287517 /nfs/dbraw/zinc/28/75/17/1000287517.db2.gz OJNDTIBDAURUGB-LEWJYISDSA-N 1 0 371.525 2.792 20 10 FFCDRO CC1(CNC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000768732581 1000334220 /nfs/dbraw/zinc/33/42/20/1000334220.db2.gz OGZFRBNNOGYSQI-UHFFFAOYSA-N 1 0 356.514 2.818 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OCCO)C2)ccc1N1CCCCC1 ZINC000769383933 1000505057 /nfs/dbraw/zinc/50/50/57/1000505057.db2.gz OHJJIROYSZMRIU-QGZVFWFLSA-N 1 0 363.458 2.558 20 10 FFCDRO CC[C@@H](OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)OC ZINC000769664571 1000573346 /nfs/dbraw/zinc/57/33/46/1000573346.db2.gz IEIFQLMYHLFNTG-LJQANCHMSA-N 1 0 372.465 2.903 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC001147838279 1000986640 /nfs/dbraw/zinc/98/66/40/1000986640.db2.gz UNPFXSJSIVSQOU-CTNGQTDRSA-N 1 0 373.541 2.632 20 10 FFCDRO CCO[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087025009 1001722230 /nfs/dbraw/zinc/72/22/30/1001722230.db2.gz BVXHJIPXPRTRBP-YLJYHZDGSA-N 1 0 371.481 2.599 20 10 FFCDRO Cc1cc(CCNC(=O)NCCOCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000788018790 1001743774 /nfs/dbraw/zinc/74/37/74/1001743774.db2.gz SCTLLQSVAOCNBV-UHFFFAOYSA-N 1 0 372.513 2.514 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000746769474 1001907431 /nfs/dbraw/zinc/90/74/31/1001907431.db2.gz ACIORJGUYRGAOW-SFHVURJKSA-N 1 0 363.502 2.815 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC3(OC)CCC3)cc2F)CC1 ZINC000790593841 1002428790 /nfs/dbraw/zinc/42/87/90/1002428790.db2.gz MMTPBOTZEMBNOR-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000790652005 1002460782 /nfs/dbraw/zinc/46/07/82/1002460782.db2.gz HKVZBGRAVVVKLZ-QFIPXVFZSA-N 1 0 369.509 2.924 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC001186288820 1003261593 /nfs/dbraw/zinc/26/15/93/1003261593.db2.gz GKCPSKFTRRBASP-UHFFFAOYSA-N 1 0 370.472 2.619 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC000793052498 1003266884 /nfs/dbraw/zinc/26/68/84/1003266884.db2.gz WWKRKBXVIAWHEF-HNAYVOBHSA-N 1 0 369.465 2.721 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)c(O)c1 ZINC000793390357 1003362374 /nfs/dbraw/zinc/36/23/74/1003362374.db2.gz PMJXCWKMRAEXFJ-ZDUSSCGKSA-N 1 0 374.437 2.925 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@@H](C)C[C@H]3C)CC2)cc1 ZINC000775678155 1003633858 /nfs/dbraw/zinc/63/38/58/1003633858.db2.gz MUTBCTWKIZYWHQ-MBOZVWFJSA-N 1 0 359.514 2.758 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000121476493 1003965014 /nfs/dbraw/zinc/96/50/14/1003965014.db2.gz JYNVBYKEVPZLKX-UHFFFAOYSA-N 1 0 359.514 2.712 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000775548741 1004285975 /nfs/dbraw/zinc/28/59/75/1004285975.db2.gz JMOCHYQSFILIIH-HXUWFJFHSA-N 1 0 371.529 2.822 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000775830428 1004539881 /nfs/dbraw/zinc/53/98/81/1004539881.db2.gz IIIXMAOAWOKMPN-MPGHIAIKSA-N 1 0 360.502 2.808 20 10 FFCDRO Cc1cc(C)c(CNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2F)c(O)c1 ZINC001194552286 1004758236 /nfs/dbraw/zinc/75/82/36/1004758236.db2.gz XZPIDOKOTADJMS-UHFFFAOYSA-N 1 0 371.456 2.830 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(C)n3)cc2F)CC1 ZINC000106702636 1005356548 /nfs/dbraw/zinc/35/65/48/1005356548.db2.gz RWVYIGZSBZOCPQ-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000850406596 1005813722 /nfs/dbraw/zinc/81/37/22/1005813722.db2.gz MTCJHKIXMSXWBM-OXFYSEKESA-N 1 0 360.498 2.715 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3(OC)CCC3)CC2)cc1 ZINC000850422625 1005814774 /nfs/dbraw/zinc/81/47/74/1005814774.db2.gz XHOHBLMXXZPRKC-SFHVURJKSA-N 1 0 361.530 2.755 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000850480634 1005817841 /nfs/dbraw/zinc/81/78/41/1005817841.db2.gz AQFQFPCPYOFVPZ-FUHWJXTLSA-N 1 0 359.466 2.980 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850756825 1005836504 /nfs/dbraw/zinc/83/65/04/1005836504.db2.gz VYTODZALSHMKOY-UHFFFAOYSA-N 1 0 368.481 2.689 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000851656179 1005903588 /nfs/dbraw/zinc/90/35/88/1005903588.db2.gz IAAKFBAJRKDNBY-QGZVFWFLSA-N 1 0 362.493 2.813 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc21 ZINC000851656776 1005903903 /nfs/dbraw/zinc/90/39/03/1005903903.db2.gz OYYSEUORXWNAPA-HXUWFJFHSA-N 1 0 370.541 2.990 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000852373735 1005995472 /nfs/dbraw/zinc/99/54/72/1005995472.db2.gz NXEOBRIDIFVABF-KRWDZBQOSA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1 ZINC000852447885 1006028272 /nfs/dbraw/zinc/02/82/72/1006028272.db2.gz GDQKHLAPJGONIJ-JENIJYKNSA-N 1 0 372.513 2.542 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000852465268 1006038664 /nfs/dbraw/zinc/03/86/64/1006038664.db2.gz DGZMLXQLMRHVTC-QGZVFWFLSA-N 1 0 374.529 2.836 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2F)C[C@H](C)O1 ZINC000813855982 1006057317 /nfs/dbraw/zinc/05/73/17/1006057317.db2.gz VKYBJQKETOTXRD-QWQRMKEZSA-N 1 0 363.477 2.586 20 10 FFCDRO C[NH2+][C@H](C)c1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000881350680 1006057753 /nfs/dbraw/zinc/05/77/53/1006057753.db2.gz GHFGEYYVLNGZRD-GFCCVEGCSA-N 1 0 372.860 2.897 20 10 FFCDRO Cc1cc(C(=O)Cn2cc([C@@H]([NH3+])C(C)C)nn2)c(C)n1-c1ccc(F)cn1 ZINC000881356812 1006060866 /nfs/dbraw/zinc/06/08/66/1006060866.db2.gz LCOUTHNVGQJGIE-IBGZPJMESA-N 1 0 370.432 2.758 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000852595424 1006095922 /nfs/dbraw/zinc/09/59/22/1006095922.db2.gz SGKGZGZUOGOTIG-HXUWFJFHSA-N 1 0 359.514 2.650 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1F ZINC000852707341 1006153197 /nfs/dbraw/zinc/15/31/97/1006153197.db2.gz GPBDYZBOWOCZDZ-UHFFFAOYSA-N 1 0 362.493 2.813 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000852869178 1006213909 /nfs/dbraw/zinc/21/39/09/1006213909.db2.gz YGPWGVZRKAKKBW-IIBYNOLFSA-N 1 0 367.493 2.600 20 10 FFCDRO C[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850081 1006241392 /nfs/dbraw/zinc/24/13/92/1006241392.db2.gz MVLXGKCQORGKAM-INIZCTEOSA-N 1 0 371.456 2.661 20 10 FFCDRO C[C@H](OCc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850105 1006242497 /nfs/dbraw/zinc/24/24/97/1006242497.db2.gz NSQKGOKNSKOUMU-SFHVURJKSA-N 1 0 367.493 2.660 20 10 FFCDRO CO[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000881855404 1006243474 /nfs/dbraw/zinc/24/34/74/1006243474.db2.gz VEVTUWWKSXHNLS-FQEVSTJZSA-N 1 0 371.456 2.581 20 10 FFCDRO CCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1O ZINC000130719183 1006594439 /nfs/dbraw/zinc/59/44/39/1006594439.db2.gz LGIOCQFUCYSATL-UHFFFAOYSA-N 1 0 369.465 2.945 20 10 FFCDRO CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000854187629 1006718395 /nfs/dbraw/zinc/71/83/95/1006718395.db2.gz OIINOMHHUDTZFB-PKOBYXMFSA-N 1 0 374.529 2.647 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883278588 1006727797 /nfs/dbraw/zinc/72/77/97/1006727797.db2.gz VIDZMPOQTYLGPB-NVXWUHKLSA-N 1 0 362.445 2.757 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCCC2 ZINC000883290701 1006736489 /nfs/dbraw/zinc/73/64/89/1006736489.db2.gz CRUXHAMUCYLKCE-QGZVFWFLSA-N 1 0 353.514 2.822 20 10 FFCDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299569 1006765609 /nfs/dbraw/zinc/76/56/09/1006765609.db2.gz PRGBGCMIDWWRJE-SFHVURJKSA-N 1 0 374.529 2.791 20 10 FFCDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854301303 1006767209 /nfs/dbraw/zinc/76/72/09/1006767209.db2.gz NEBHFQGILFIKTN-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000748051905 1006946870 /nfs/dbraw/zinc/94/68/70/1006946870.db2.gz WUQYZAPXFSVCIW-ROUUACIJSA-N 1 0 373.541 2.631 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775253816 1007095529 /nfs/dbraw/zinc/09/55/29/1007095529.db2.gz GDMLDTNWAWUWEV-QFBILLFUSA-N 1 0 374.456 2.753 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000775375965 1007585712 /nfs/dbraw/zinc/58/57/12/1007585712.db2.gz QGOJVBSWQVAJRR-GFCCVEGCSA-N 1 0 360.410 2.707 20 10 FFCDRO CN(C)c1ccc(/C=C/C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856535592 1007875080 /nfs/dbraw/zinc/87/50/80/1007875080.db2.gz DPHWYOJQNPEPFI-ARMKIQIJSA-N 1 0 364.493 2.616 20 10 FFCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000818329762 1007902941 /nfs/dbraw/zinc/90/29/41/1007902941.db2.gz DKVMGSQEGUQAFX-CBHXASLJSA-N 1 0 364.461 2.871 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000819002688 1008006102 /nfs/dbraw/zinc/00/61/02/1008006102.db2.gz NSNZKWNFAKMPLU-FQEVSTJZSA-N 1 0 371.437 2.895 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000819380387 1008128084 /nfs/dbraw/zinc/12/80/84/1008128084.db2.gz PUZAMEDZCMBKST-YLJYHZDGSA-N 1 0 358.457 2.854 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COc3ccccc3C)C2)cc1 ZINC000819379793 1008128266 /nfs/dbraw/zinc/12/82/66/1008128266.db2.gz LAYNHOUZSSAFKE-ICSRJNTNSA-N 1 0 370.493 2.859 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000011853463 1008180595 /nfs/dbraw/zinc/18/05/95/1008180595.db2.gz FZWJAZHLGWYMHN-UHFFFAOYSA-N 1 0 367.493 2.946 20 10 FFCDRO Oc1cc2c(cc1CN1C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C1)OCO2 ZINC000819897068 1008245017 /nfs/dbraw/zinc/24/50/17/1008245017.db2.gz MMHHELFPGNRCED-FUHWJXTLSA-N 1 0 352.434 2.827 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000858122992 1008305637 /nfs/dbraw/zinc/30/56/37/1008305637.db2.gz MHZVLIKWBXGRNL-UHFFFAOYSA-N 1 0 353.466 2.613 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc2ccccc2c1O ZINC000858488923 1008368516 /nfs/dbraw/zinc/36/85/16/1008368516.db2.gz NVMDHMRWJMLWCZ-HOCLYGCPSA-N 1 0 374.448 2.913 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000821066164 1008411925 /nfs/dbraw/zinc/41/19/25/1008411925.db2.gz VXQYPUMBZHKJFL-BZUAXINKSA-N 1 0 374.872 2.653 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000822490572 1008621474 /nfs/dbraw/zinc/62/14/74/1008621474.db2.gz XQYZLIBLGCUHJI-UHFFFAOYSA-N 1 0 360.410 2.536 20 10 FFCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325163 1008637898 /nfs/dbraw/zinc/63/78/98/1008637898.db2.gz XEPNSQYUXRMDQI-UHFFFAOYSA-N 1 0 367.493 2.995 20 10 FFCDRO C[N@H+](Cc1ccccc1O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000822739177 1008748522 /nfs/dbraw/zinc/74/85/22/1008748522.db2.gz AQZWTFHSWLPGHX-HXUWFJFHSA-N 1 0 364.486 2.976 20 10 FFCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C(C)(C)O1 ZINC000886747088 1008857387 /nfs/dbraw/zinc/85/73/87/1008857387.db2.gz KSNDIRKNXJJMGN-GOSISDBHSA-N 1 0 359.514 2.824 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000823057433 1008886218 /nfs/dbraw/zinc/88/62/18/1008886218.db2.gz BTPBZURFQNJXAR-QZTJIDSGSA-N 1 0 361.486 2.567 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000823248499 1008996642 /nfs/dbraw/zinc/99/66/42/1008996642.db2.gz QGTNXURPLJIHJI-SFHVURJKSA-N 1 0 374.529 2.553 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccc4c(c3)CCO4)cc2F)CC1 ZINC001178482544 1009004862 /nfs/dbraw/zinc/00/48/62/1009004862.db2.gz GOURXKGHPOHETO-UHFFFAOYSA-N 1 0 369.484 2.845 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000773756063 1009050771 /nfs/dbraw/zinc/05/07/71/1009050771.db2.gz WSDWZSARECRLOC-UHFFFAOYSA-N 1 0 369.513 2.518 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)cc2)CC1 ZINC000823469379 1009078755 /nfs/dbraw/zinc/07/87/55/1009078755.db2.gz VYCGALJSIGGTCK-IBGZPJMESA-N 1 0 355.486 2.730 20 10 FFCDRO Nc1ccc(-n2cc(-c3csc([C@H]4C[N@@H+]5CCC[C@H]5CO4)n3)nn2)cc1 ZINC000887453901 1009239720 /nfs/dbraw/zinc/23/97/20/1009239720.db2.gz ITLSQCZYONOXDA-WMLDXEAASA-N 1 0 368.466 2.509 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1CC12CC2 ZINC000823873888 1009268476 /nfs/dbraw/zinc/26/84/76/1009268476.db2.gz OFMBEPBJFTZLJD-IBGZPJMESA-N 1 0 354.498 2.570 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001179687263 1009401946 /nfs/dbraw/zinc/40/19/46/1009401946.db2.gz RMEUOBJLYYAMIZ-IWHGQQBYSA-N 1 0 350.418 2.553 20 10 FFCDRO CN(c1ccc(CNC(=O)NCCOCCC[NH3+])cc1)C1CCCCC1 ZINC000861567822 1009467177 /nfs/dbraw/zinc/46/71/77/1009467177.db2.gz PMMMRMDWAGNFIU-UHFFFAOYSA-N 1 0 362.518 2.620 20 10 FFCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862024689 1009668112 /nfs/dbraw/zinc/66/81/12/1009668112.db2.gz DNEZRBUFJJFSIV-UHFFFAOYSA-N 1 0 369.465 2.797 20 10 FFCDRO CC(C)O[C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889660679 1010045045 /nfs/dbraw/zinc/04/50/45/1010045045.db2.gz FRXAGRPIITWZJC-HXUWFJFHSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3cccnc3)C[C@H]2C)cc1C ZINC001093716069 1010494532 /nfs/dbraw/zinc/49/45/32/1010494532.db2.gz ISGFQQRMDSNOTA-YLJYHZDGSA-N 1 0 367.493 2.825 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](F)(CO)CC2)c1O ZINC001204335922 1010514656 /nfs/dbraw/zinc/51/46/56/1010514656.db2.gz DBPRKPPFULGWNK-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nn(C)cc3C)C[C@H]2C)cc1C ZINC001093765526 1010537285 /nfs/dbraw/zinc/53/72/85/1010537285.db2.gz NHXRHCSKFKCFTM-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(C)cc1O ZINC000794805880 1010686308 /nfs/dbraw/zinc/68/63/08/1010686308.db2.gz RQNLZDGRUHDZDN-LAUBAEHRSA-N 1 0 367.449 2.996 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3c4c(nn3C)CCCC4)C2)cc1 ZINC000865608393 1010826880 /nfs/dbraw/zinc/82/68/80/1010826880.db2.gz HZWBERBYMKFXDX-MRXNPFEDSA-N 1 0 354.498 2.924 20 10 FFCDRO CN(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000120858889 1010907995 /nfs/dbraw/zinc/90/79/95/1010907995.db2.gz LQYZGNBYVYZNTF-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(C)cc1O ZINC000866521218 1011008123 /nfs/dbraw/zinc/00/81/23/1011008123.db2.gz IMZWDKDMYJDQME-SFHVURJKSA-N 1 0 367.449 2.993 20 10 FFCDRO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000016876314 1011124086 /nfs/dbraw/zinc/12/40/86/1011124086.db2.gz SSBSIDHAZBTJBK-UHFFFAOYSA-N 1 0 368.433 2.649 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)[C@H](C)C1 ZINC000868263163 1011218732 /nfs/dbraw/zinc/21/87/32/1011218732.db2.gz LDVJTKUCHUSEBB-JFIYKMOQSA-N 1 0 363.502 2.889 20 10 FFCDRO COc1ccc(N2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(OC)c1 ZINC001172122413 1011659028 /nfs/dbraw/zinc/65/90/28/1011659028.db2.gz ASDOEECQWSCYLA-PIIMJCKOSA-N 1 0 359.514 2.841 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(OCCCO)CC3)cc2)CC1 ZINC000828036804 1032580913 /nfs/dbraw/zinc/58/09/13/1032580913.db2.gz PZDCIFZVAHYMLS-UHFFFAOYSA-N 1 0 362.514 2.665 20 10 FFCDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3nnsc3C3CC3)n2)CC1 ZINC001212679555 1011988322 /nfs/dbraw/zinc/98/83/22/1011988322.db2.gz JLKAXQIXSCGAFQ-UHFFFAOYSA-N 1 0 368.466 2.884 20 10 FFCDRO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2O)C1=O)c1cccs1 ZINC001275232565 1012114079 /nfs/dbraw/zinc/11/40/79/1012114079.db2.gz SZKOVERHDYBRGC-FQEVSTJZSA-N 1 0 370.474 2.904 20 10 FFCDRO O=C(NCC1CCOCC1)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275232591 1012114703 /nfs/dbraw/zinc/11/47/03/1012114703.db2.gz UEMDJQCRZKZZBV-SFHVURJKSA-N 1 0 358.482 2.537 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CCOCC2)c1 ZINC001275237358 1012126860 /nfs/dbraw/zinc/12/68/60/1012126860.db2.gz AQSRVMFBQRZINK-RTBURBONSA-N 1 0 358.482 2.693 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001275243015 1012131316 /nfs/dbraw/zinc/13/13/16/1012131316.db2.gz WIKMBRXSEJLFJR-XOBRGWDASA-N 1 0 360.454 2.540 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c1O ZINC001275244454 1012135388 /nfs/dbraw/zinc/13/53/88/1012135388.db2.gz KGPKIERDVOYJNH-KRWDZBQOSA-N 1 0 372.387 2.778 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275248359 1012136271 /nfs/dbraw/zinc/13/62/71/1012136271.db2.gz NLOZUUJMOVDGTN-IFXJQAMLSA-N 1 0 366.889 2.895 20 10 FFCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796362825 1012347943 /nfs/dbraw/zinc/34/79/43/1012347943.db2.gz LVVIATFGICZWMJ-VGSWGCGISA-N 1 0 352.478 2.879 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)cc1 ZINC001275597200 1012665306 /nfs/dbraw/zinc/66/53/06/1012665306.db2.gz GKFSRQKCAPHAGI-IBGZPJMESA-N 1 0 351.441 2.975 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275599154 1012670132 /nfs/dbraw/zinc/67/01/32/1012670132.db2.gz YUVDDIQACAPXQQ-KKSFZXQISA-N 1 0 357.498 2.687 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]([NH3+])c3ccccc3C)CC2)cc1 ZINC000828353869 1032676221 /nfs/dbraw/zinc/67/62/21/1032676221.db2.gz YKGOHYGMQFTFAX-HXUWFJFHSA-N 1 0 353.466 2.789 20 10 FFCDRO CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1Cc1ccccc1 ZINC000828427742 1032699002 /nfs/dbraw/zinc/69/90/02/1032699002.db2.gz DIDJRKUJZMZTEO-OAHLLOKOSA-N 1 0 358.413 2.974 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2)C1 ZINC000924727299 1017451684 /nfs/dbraw/zinc/45/16/84/1017451684.db2.gz DVBCBFTYPDNNHC-SVFBPWRDSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925162436 1017645625 /nfs/dbraw/zinc/64/56/25/1017645625.db2.gz VRKVJPOLMFXHTI-KFWWJZLASA-N 1 0 367.440 2.904 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn(C)cn1 ZINC000925674979 1017815834 /nfs/dbraw/zinc/81/58/34/1017815834.db2.gz BYEJVWMMFCMWQA-KRWDZBQOSA-N 1 0 353.514 2.803 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000925689936 1017819462 /nfs/dbraw/zinc/81/94/62/1017819462.db2.gz DSZGKWSFNKJMRW-AUUYWEPGSA-N 1 0 361.436 2.980 20 10 FFCDRO Cc1cc(C(=O)CN2CCN(C)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000828610427 1032777248 /nfs/dbraw/zinc/77/72/48/1032777248.db2.gz CLTYJEFCGZBEAV-CABCVRRESA-N 1 0 358.461 2.835 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000382469934 1019062686 /nfs/dbraw/zinc/06/26/86/1019062686.db2.gz PAUPFOAKHDXOLW-GXTWGEPZSA-N 1 0 364.442 2.904 20 10 FFCDRO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccccc3O)CC2)CC1 ZINC000827946312 1019394864 /nfs/dbraw/zinc/39/48/64/1019394864.db2.gz DGMZEJINQMDCHX-MRXNPFEDSA-N 1 0 359.514 2.766 20 10 FFCDRO C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)c1ccccc1O ZINC000827951968 1019476929 /nfs/dbraw/zinc/47/69/29/1019476929.db2.gz BACQTZUSMYIUKG-CYBMUJFWSA-N 1 0 368.437 2.500 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@]23CCC[NH2+]C3)c(Br)c1 ZINC001222252506 1032849861 /nfs/dbraw/zinc/84/98/61/1032849861.db2.gz GBGSHTWQWCRJNM-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222259120 1032853126 /nfs/dbraw/zinc/85/31/26/1032853126.db2.gz KQCNWTNAFJRVNG-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 ZINC000725853284 1020269411 /nfs/dbraw/zinc/26/94/11/1020269411.db2.gz OAVMBKHSNRHGQC-OAHLLOKOSA-N 1 0 356.422 2.695 20 10 FFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000726238611 1020440209 /nfs/dbraw/zinc/44/02/09/1020440209.db2.gz PXJWIYYXGPEBEL-IAGOWNOFSA-N 1 0 358.530 2.989 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000726697568 1020509121 /nfs/dbraw/zinc/50/91/21/1020509121.db2.gz QUUDQKCABAVGGD-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4[nH]ccc43)CC2)cc1 ZINC000726965455 1020559252 /nfs/dbraw/zinc/55/92/52/1020559252.db2.gz DIXUGHZWAXJKQH-UHFFFAOYSA-N 1 0 366.469 2.542 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC[NH2+]C[C@@H]3F)ccc(O)c21 ZINC001217951548 1032916450 /nfs/dbraw/zinc/91/64/50/1032916450.db2.gz SIHDQMFTZJPQJO-ZFWWWQNUSA-N 1 0 355.365 2.637 20 10 FFCDRO C[NH2+][C@H]1C[C@H](Oc2cc(OC)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C1 ZINC001217950034 1032914109 /nfs/dbraw/zinc/91/41/09/1032914109.db2.gz KAVDZZINKGVQIB-AULYBMBSSA-N 1 0 367.401 2.614 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001217985834 1032935707 /nfs/dbraw/zinc/93/57/07/1032935707.db2.gz CTQLFUAXTMIXAX-WBMJQRKESA-N 1 0 351.402 2.935 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CCNC(=O)O4)CC3)cc2)CC1 ZINC000932758095 1020893340 /nfs/dbraw/zinc/89/33/40/1020893340.db2.gz HBAXYPLBSHGEAV-UHFFFAOYSA-N 1 0 373.497 2.766 20 10 FFCDRO COC(=O)C1=C(C)O[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000778219533 1021136292 /nfs/dbraw/zinc/13/62/92/1021136292.db2.gz HLMYHSUYMAQFBY-SJORKVTESA-N 1 0 361.438 2.609 20 10 FFCDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116409870 1021203825 /nfs/dbraw/zinc/20/38/25/1021203825.db2.gz ICLOUYYIKIYAKQ-HNAYVOBHSA-N 1 0 361.461 2.772 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218029874 1032961273 /nfs/dbraw/zinc/96/12/73/1032961273.db2.gz OISIUTBJNQTPRO-XHDPSFHLSA-N 1 0 367.401 2.640 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccnn2C2CC2)[NH+](C)C)cc1 ZINC000934541998 1021278376 /nfs/dbraw/zinc/27/83/76/1021278376.db2.gz BFXCFCHOUFEECP-KRWDZBQOSA-N 1 0 356.474 2.708 20 10 FFCDRO O=C(c1ccc2c(c1)C[NH2+]CC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001118199231 1022114552 /nfs/dbraw/zinc/11/45/52/1022114552.db2.gz DVZZEOXEQKFJAY-HXUWFJFHSA-N 1 0 366.461 2.859 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)c2cn[nH]c2)C3)cc1C ZINC001099384075 1022419602 /nfs/dbraw/zinc/41/96/02/1022419602.db2.gz XEMITHXENVREPN-RXVVDRJESA-N 1 0 368.481 2.759 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000038635234 1022677711 /nfs/dbraw/zinc/67/77/11/1022677711.db2.gz IWKCQKKHULNMBI-IBGZPJMESA-N 1 0 370.453 2.622 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccccc1O ZINC000750875514 1022692978 /nfs/dbraw/zinc/69/29/78/1022692978.db2.gz SMIKZVITGDYZIO-UHFFFAOYSA-N 1 0 372.465 2.938 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1OC ZINC000160099018 1022902093 /nfs/dbraw/zinc/90/20/93/1022902093.db2.gz ZBYBTCNNYFFDKS-CQSZACIVSA-N 1 0 364.486 2.782 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753569334 1023353525 /nfs/dbraw/zinc/35/35/25/1023353525.db2.gz BQLLZZUJRQFHGD-MOPGFXCFSA-N 1 0 354.450 2.976 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000753913881 1023398074 /nfs/dbraw/zinc/39/80/74/1023398074.db2.gz NAFQJSOXFHNEOJ-OAQYLSRUSA-N 1 0 352.482 2.847 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218407365 1033141362 /nfs/dbraw/zinc/14/13/62/1033141362.db2.gz PNHZTLVLSWIJLS-QWHCGFSZSA-N 1 0 351.402 2.990 20 10 FFCDRO C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000756431115 1023709452 /nfs/dbraw/zinc/70/94/52/1023709452.db2.gz BPONLWWJNQGYDK-ZDUSSCGKSA-N 1 0 362.424 2.668 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000756527016 1023722766 /nfs/dbraw/zinc/72/27/66/1023722766.db2.gz VIUJTVVGEZTSMI-ZUOKHONESA-N 1 0 353.422 2.606 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000756526047 1023722976 /nfs/dbraw/zinc/72/29/76/1023722976.db2.gz RTIIAZSIIBFSHA-ZUOKHONESA-N 1 0 353.422 2.606 20 10 FFCDRO CN(CCC(=O)NCc1ccc(N2CCSCC2)cc1)c1cc[nH+]cc1 ZINC000779479064 1023931400 /nfs/dbraw/zinc/93/14/00/1023931400.db2.gz LOHRGPOJQUWFIH-UHFFFAOYSA-N 1 0 370.522 2.778 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000079610675 1024311731 /nfs/dbraw/zinc/31/17/31/1024311731.db2.gz WHMZLRFZZPVNEV-SFHVURJKSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000079610679 1024312442 /nfs/dbraw/zinc/31/24/42/1024312442.db2.gz WHMZLRFZZPVNEV-GOSISDBHSA-N 1 0 374.529 2.791 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(O)c3O)c(C)c2)CC1 ZINC000192915652 1024315139 /nfs/dbraw/zinc/31/51/39/1024315139.db2.gz FMBOFWYUKNETNH-UHFFFAOYSA-N 1 0 355.438 2.800 20 10 FFCDRO Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)ccc1N(C)C ZINC001139670554 1024427392 /nfs/dbraw/zinc/42/73/92/1024427392.db2.gz BVIFBNLZAZQXMX-UHFFFAOYSA-N 1 0 364.493 2.804 20 10 FFCDRO CNC(=O)CC1CC[NH+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000080584155 1024652529 /nfs/dbraw/zinc/65/25/29/1024652529.db2.gz YWYMJBWGNUVXPP-UHFFFAOYSA-N 1 0 370.449 2.680 20 10 FFCDRO CC[C@@](C)(OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000795226835 1025363540 /nfs/dbraw/zinc/36/35/40/1025363540.db2.gz IRUZVTDXCYZMQB-OAQYLSRUSA-N 1 0 359.514 2.650 20 10 FFCDRO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141142846 1025514455 /nfs/dbraw/zinc/51/44/55/1025514455.db2.gz CPNWZRHGBJCCHT-OAQYLSRUSA-N 1 0 357.498 2.882 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)[C@@H]1c1ccccc1 ZINC001141158496 1025539068 /nfs/dbraw/zinc/53/90/68/1025539068.db2.gz BQLKFYXTLXVXCM-IBGZPJMESA-N 1 0 352.434 2.893 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3cc(O)ccc3O)CC2)CN1c1ccsc1 ZINC001141160120 1025542453 /nfs/dbraw/zinc/54/24/53/1025542453.db2.gz QOWCMTMEMSBXIV-UHFFFAOYSA-N 1 0 374.462 2.557 20 10 FFCDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cc(O)ccc3O)CC[C@@H]21 ZINC001141160322 1025544166 /nfs/dbraw/zinc/54/41/66/1025544166.db2.gz VQRPZWJTNSRDPG-KPFFTGBYSA-N 1 0 370.497 2.668 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001141162727 1025545887 /nfs/dbraw/zinc/54/58/87/1025545887.db2.gz BGDUBHLLNNBLBH-CYBMUJFWSA-N 1 0 369.343 2.950 20 10 FFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146621 1026605750 /nfs/dbraw/zinc/60/57/50/1026605750.db2.gz ONQLKBACFWYXLF-CQSZACIVSA-N 1 0 369.456 2.538 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000839510091 1026707703 /nfs/dbraw/zinc/70/77/03/1026707703.db2.gz WMGGQXTWNBHSNZ-HXUWFJFHSA-N 1 0 353.466 2.912 20 10 FFCDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C12CCC2 ZINC000839508738 1026707764 /nfs/dbraw/zinc/70/77/64/1026707764.db2.gz RMNYPTRIUPMHBV-MOPGFXCFSA-N 1 0 359.514 2.648 20 10 FFCDRO CC[C@@H](CO)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000839553824 1026729715 /nfs/dbraw/zinc/72/97/15/1026729715.db2.gz UNTXDJPLKGKWNK-FQEVSTJZSA-N 1 0 369.509 2.642 20 10 FFCDRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CCCC1 ZINC000839616131 1026759022 /nfs/dbraw/zinc/75/90/22/1026759022.db2.gz PADWMQKLESMOIT-FQEVSTJZSA-N 1 0 361.530 2.536 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000840261288 1027024873 /nfs/dbraw/zinc/02/48/73/1027024873.db2.gz MLCODNAEXDFQIJ-DBVUQKKJSA-N 1 0 358.530 2.918 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000840479242 1027088168 /nfs/dbraw/zinc/08/81/68/1027088168.db2.gz MTHHCBCELMIVFY-PXNSSMCTSA-N 1 0 356.514 2.648 20 10 FFCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092145653 1027232158 /nfs/dbraw/zinc/23/21/58/1027232158.db2.gz QNDJHQPSKOXXMJ-UHFFFAOYSA-N 1 0 373.541 2.994 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000093734328 1027813170 /nfs/dbraw/zinc/81/31/70/1027813170.db2.gz JOAUBLQVKSFTDC-QGZVFWFLSA-N 1 0 353.466 2.572 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795691934 1027819560 /nfs/dbraw/zinc/81/95/60/1027819560.db2.gz OAMRLGLXVCHBCJ-NVXWUHKLSA-N 1 0 362.514 2.993 20 10 FFCDRO CCOc1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000049740642 1028068378 /nfs/dbraw/zinc/06/83/78/1028068378.db2.gz LSPJJIGXOFOVBB-UHFFFAOYSA-N 1 0 367.493 2.696 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2C)cc1C ZINC001104219434 1028676619 /nfs/dbraw/zinc/67/66/19/1028676619.db2.gz QKIIKRWXCHDXMZ-GZHDQSLTSA-N 1 0 372.509 2.614 20 10 FFCDRO CN(C)c1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155628885 1028824403 /nfs/dbraw/zinc/82/44/03/1028824403.db2.gz BRZIZUMKINEDBD-XKGFGPFHSA-N 1 0 353.514 2.942 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccnc(SC)n3)CC2)cc1 ZINC001156257439 1029115072 /nfs/dbraw/zinc/11/50/72/1029115072.db2.gz TVPOBUYQNCBQEQ-UHFFFAOYSA-N 1 0 373.526 2.831 20 10 FFCDRO CCc1cc(C)nc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001164330279 1029248355 /nfs/dbraw/zinc/24/83/55/1029248355.db2.gz PDVQGYOROULDQB-UHFFFAOYSA-N 1 0 369.513 2.980 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nccc(OC)c3F)CC2)cc1 ZINC001164330080 1029248611 /nfs/dbraw/zinc/24/86/11/1029248611.db2.gz JDSJKSRNMLYGMU-UHFFFAOYSA-N 1 0 374.460 2.862 20 10 FFCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1NCC1CC1 ZINC001156650640 1029287812 /nfs/dbraw/zinc/28/78/12/1029287812.db2.gz AYMRIDANVXDUGM-UHFFFAOYSA-N 1 0 366.513 2.971 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000840951525 1029941295 /nfs/dbraw/zinc/94/12/95/1029941295.db2.gz YFTJSEOANPDJKX-HOTGVXAUSA-N 1 0 369.431 2.904 20 10 FFCDRO Cc1cc(C)cc(-n2ncc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)n2)c1 ZINC000841045839 1030001408 /nfs/dbraw/zinc/00/14/08/1030001408.db2.gz REPTUKAQSUXRKC-OAQYLSRUSA-N 1 0 364.497 2.740 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841331071 1030204384 /nfs/dbraw/zinc/20/43/84/1030204384.db2.gz HFXZAHKMLHRWIW-UHFFFAOYSA-N 1 0 372.444 2.703 20 10 FFCDRO C[NH2+]CCC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000841742690 1030440522 /nfs/dbraw/zinc/44/05/22/1030440522.db2.gz ZXSSMVAIOBNRCE-QGZVFWFLSA-N 1 0 374.529 2.615 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)cc1F ZINC000841761660 1030449198 /nfs/dbraw/zinc/44/91/98/1030449198.db2.gz QZQGNPAIDPZOEG-UHFFFAOYSA-N 1 0 358.461 2.952 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000841824126 1030489273 /nfs/dbraw/zinc/48/92/73/1030489273.db2.gz KOPJSIPXSVXHON-LJQANCHMSA-N 1 0 358.530 2.981 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000841855975 1030505105 /nfs/dbraw/zinc/50/51/05/1030505105.db2.gz KPPRWKULUJUJSP-YJBOKZPZSA-N 1 0 370.522 2.920 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC3([NH3+])CCCCCC3)CC2)cc1 ZINC000841917744 1030540904 /nfs/dbraw/zinc/54/09/04/1030540904.db2.gz UFQXIXQUAKCJLR-UHFFFAOYSA-N 1 0 374.529 2.969 20 10 FFCDRO Cc1nc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4O)C3)C2=O)cs1 ZINC001203552208 1030759252 /nfs/dbraw/zinc/75/92/52/1030759252.db2.gz DYFGTFPLQIPRMB-IBGZPJMESA-N 1 0 357.479 2.782 20 10 FFCDRO COC[C@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552967 1030765150 /nfs/dbraw/zinc/76/51/50/1030765150.db2.gz XCMZEQZOAPEUCC-GOSISDBHSA-N 1 0 368.481 2.690 20 10 FFCDRO COc1cccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1O ZINC001203590006 1030773569 /nfs/dbraw/zinc/77/35/69/1030773569.db2.gz QJTMUIPTBOPSNU-QZTJIDSGSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c1O ZINC001203592005 1030775179 /nfs/dbraw/zinc/77/51/79/1030775179.db2.gz AEAPRNXOEXJLJV-LAUBAEHRSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1O ZINC001203601731 1030780126 /nfs/dbraw/zinc/78/01/26/1030780126.db2.gz IUGNVSYHZGRSGL-CQSZACIVSA-N 1 0 356.397 2.770 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c1O ZINC001203608324 1030784646 /nfs/dbraw/zinc/78/46/46/1030784646.db2.gz LZAMWWQVQLSXQY-QZTJIDSGSA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)c1O ZINC001203614131 1030785531 /nfs/dbraw/zinc/78/55/31/1030785531.db2.gz QBCXXSSGXJJVFV-UHFFFAOYSA-N 1 0 370.449 2.884 20 10 FFCDRO CCOc1cccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3C2)c1O ZINC001203609275 1030785962 /nfs/dbraw/zinc/78/59/62/1030785962.db2.gz DTPGBMIJKBJOLH-UHFFFAOYSA-N 1 0 358.486 2.843 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)c(O)c1 ZINC001203623196 1030791647 /nfs/dbraw/zinc/79/16/47/1030791647.db2.gz MBZLEBFFXMJTKF-UHFFFAOYSA-N 1 0 370.497 2.765 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001203658777 1030813109 /nfs/dbraw/zinc/81/31/09/1030813109.db2.gz OLOCRRFLJUFNTL-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203680317 1030823793 /nfs/dbraw/zinc/82/37/93/1030823793.db2.gz OSMDAAYWKCRDMP-UHFFFAOYSA-N 1 0 356.422 2.510 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1 ZINC001203684251 1030827796 /nfs/dbraw/zinc/82/77/96/1030827796.db2.gz PYIZTFFDOVRDAJ-CYBMUJFWSA-N 1 0 352.232 2.807 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c1 ZINC000842722314 1030923640 /nfs/dbraw/zinc/92/36/40/1030923640.db2.gz NWTCFBOQELTQIA-QGZVFWFLSA-N 1 0 374.456 2.933 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)N1Cc1ccncc1 ZINC001203877523 1030951658 /nfs/dbraw/zinc/95/16/58/1030951658.db2.gz HQGLCAWVPSDAFY-NRFANRHFSA-N 1 0 367.449 2.650 20 10 FFCDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(O)c(O)c4)CC[N@@H+]3C2)cc1 ZINC001203879070 1030955169 /nfs/dbraw/zinc/95/51/69/1030955169.db2.gz LGEKPOOFPGCROJ-IEBWSBKVSA-N 1 0 354.450 2.744 20 10 FFCDRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(N(C)C)cc2)cs1 ZINC001203933815 1030992669 /nfs/dbraw/zinc/99/26/69/1030992669.db2.gz RJIBNDFJKAJQGV-RBUKOAKNSA-N 1 0 370.522 2.893 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC001203934170 1030993830 /nfs/dbraw/zinc/99/38/30/1030993830.db2.gz WEHDYJIKHZZWPW-YSIASYRMSA-N 1 0 368.481 2.601 20 10 FFCDRO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001203936221 1030995050 /nfs/dbraw/zinc/99/50/50/1030995050.db2.gz KNBORRVQPHXJSH-ROUUACIJSA-N 1 0 363.502 2.819 20 10 FFCDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(O)cc4O)CC[N@@H+]3C2)cc1 ZINC001204274404 1031200305 /nfs/dbraw/zinc/20/03/05/1031200305.db2.gz AFCSHROVMTWCNS-FXAWDEMLSA-N 1 0 354.450 2.744 20 10 FFCDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277695 1031204703 /nfs/dbraw/zinc/20/47/03/1031204703.db2.gz ILMFSODYSZBUFG-CQSZACIVSA-N 1 0 356.397 2.857 20 10 FFCDRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]21 ZINC001143105402 1031237340 /nfs/dbraw/zinc/23/73/40/1031237340.db2.gz UMFFONRJTWXCLK-SOLBZPMBSA-N 1 0 360.498 2.663 20 10 FFCDRO CCOC[C@H]1COCCC12CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001204343192 1031237397 /nfs/dbraw/zinc/23/73/97/1031237397.db2.gz PYQHMWZXBOEDOP-INIZCTEOSA-N 1 0 365.470 2.762 20 10 FFCDRO CC[NH+]1C[C@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@@H]2C1 ZINC001204340505 1031237676 /nfs/dbraw/zinc/23/76/76/1031237676.db2.gz UVGMIONSHXOVRM-STQMWFEESA-N 1 0 355.276 2.547 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000843296863 1031293315 /nfs/dbraw/zinc/29/33/15/1031293315.db2.gz HHTZXXXBHQKFKB-QGZVFWFLSA-N 1 0 374.466 2.569 20 10 FFCDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000843369118 1031363202 /nfs/dbraw/zinc/36/32/02/1031363202.db2.gz CTTQDQCDMBQRJP-GOSISDBHSA-N 1 0 353.426 2.700 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2C)cc1 ZINC000843482143 1031421707 /nfs/dbraw/zinc/42/17/07/1031421707.db2.gz HBBZPRKFZYGFLJ-UZLBHIALSA-N 1 0 353.466 2.927 20 10 FFCDRO C[NH+](C)CCCOc1ccc(-c2ccn(Cc3cccnc3)c(=O)c2)cn1 ZINC001205248176 1031624373 /nfs/dbraw/zinc/62/43/73/1031624373.db2.gz KTPFHQKCVNETPP-UHFFFAOYSA-N 1 0 364.449 2.684 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC001219614267 1033715905 /nfs/dbraw/zinc/71/59/05/1033715905.db2.gz WCPFGIJBVSJMJM-QGZVFWFLSA-N 1 0 367.371 2.824 20 10 FFCDRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]2C1 ZINC001138216671 1033967833 /nfs/dbraw/zinc/96/78/33/1033967833.db2.gz GUFXZJOOTHMSTB-IFMALSPDSA-N 1 0 371.525 2.746 20 10 FFCDRO Cc1c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c2ccccc2n1C ZINC001138252953 1034023301 /nfs/dbraw/zinc/02/33/01/1034023301.db2.gz XZWVFTNMZNPZLK-MRXNPFEDSA-N 1 0 373.497 2.900 20 10 FFCDRO Cc1c(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)c2ccccc2n1C ZINC001138255576 1034024885 /nfs/dbraw/zinc/02/48/85/1034024885.db2.gz MAMCZLQULRUWAM-WOJBJXKFSA-N 1 0 363.465 2.600 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025131 1034165351 /nfs/dbraw/zinc/16/53/51/1034165351.db2.gz BOKYJJRDEAMKJQ-FOIQADDNSA-N 1 0 364.461 2.689 20 10 FFCDRO Oc1c(C[NH+]2CCN(c3ccccn3)CC2)cc2c3c1CCCN3CCC2 ZINC001138336014 1034167999 /nfs/dbraw/zinc/16/79/99/1034167999.db2.gz HGHSLEKANIPYTE-UHFFFAOYSA-N 1 0 364.493 2.808 20 10 FFCDRO CCNC(=O)OC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138341109 1034172656 /nfs/dbraw/zinc/17/26/56/1034172656.db2.gz DOBTZCAEUFUHNY-UHFFFAOYSA-N 1 0 373.497 2.802 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3cc(F)cc(C)c3O)CC2)C1=O ZINC001277027057 1034175570 /nfs/dbraw/zinc/17/55/70/1034175570.db2.gz YMDRVBQMCCZVGQ-UHFFFAOYSA-N 1 0 364.461 2.691 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)C1=O ZINC001138357383 1034195237 /nfs/dbraw/zinc/19/52/37/1034195237.db2.gz RMEBWHODCBEYER-UHFFFAOYSA-N 1 0 371.525 2.530 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(OC)c1 ZINC001138392470 1034228226 /nfs/dbraw/zinc/22/82/26/1034228226.db2.gz WWHVCZBSDNFAMQ-UHFFFAOYSA-N 1 0 359.514 2.986 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000831753304 1034257412 /nfs/dbraw/zinc/25/74/12/1034257412.db2.gz LUWFEPHYJSJGSY-OAHLLOKOSA-N 1 0 351.450 2.555 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)NCc2cc(C)ccc2O)[NH+](C)C)c1 ZINC001221080085 1034539918 /nfs/dbraw/zinc/53/99/18/1034539918.db2.gz DMFQSKAHSIRGSD-GOSISDBHSA-N 1 0 357.454 2.811 20 10 FFCDRO COCCCOc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265860 1034686490 /nfs/dbraw/zinc/68/64/90/1034686490.db2.gz AHOVZUIUFOFUBG-HXUWFJFHSA-N 1 0 371.481 2.598 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c([nH]c2=O)CCCCC3)cc1 ZINC000832273741 1034694482 /nfs/dbraw/zinc/69/44/82/1034694482.db2.gz POKIAOKCVZMGRR-SFHVURJKSA-N 1 0 368.481 2.552 20 10 FFCDRO COc1cc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000832293663 1034707441 /nfs/dbraw/zinc/70/74/41/1034707441.db2.gz ZTJIZXLFCPQNBU-FQEVSTJZSA-N 1 0 371.481 2.519 20 10 FFCDRO CCC(=O)c1ccc(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293325 1034707682 /nfs/dbraw/zinc/70/76/82/1034707682.db2.gz VAPXEZQEDSHPLO-LJQANCHMSA-N 1 0 369.465 2.540 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000833566305 1035212230 /nfs/dbraw/zinc/21/22/30/1035212230.db2.gz ULTGAMUMSFCZAP-LJQANCHMSA-N 1 0 355.482 2.671 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001140055376 1035325309 /nfs/dbraw/zinc/32/53/09/1035325309.db2.gz UBNVPMBMFQQVBH-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)c1O ZINC001140180128 1035370274 /nfs/dbraw/zinc/37/02/74/1035370274.db2.gz BUKJGXHSPWJACG-GGPKGHCWSA-N 1 0 372.509 2.620 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)c1O ZINC001140181076 1035370676 /nfs/dbraw/zinc/37/06/76/1035370676.db2.gz PVRYZFQKJSQPLP-LMMKCTJWSA-N 1 0 360.498 2.618 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)c1ccncc1 ZINC000834541031 1035405603 /nfs/dbraw/zinc/40/56/03/1035405603.db2.gz NWIAJTQGNPGPMM-NRFANRHFSA-N 1 0 354.498 2.953 20 10 FFCDRO OC1CCN(c2ccc(CN3CC4(C3)CC[N@H+](CC3CC3)C4)cc2)CC1 ZINC001140283832 1035418388 /nfs/dbraw/zinc/41/83/88/1035418388.db2.gz DAQOGEKVHRDCRS-UHFFFAOYSA-N 1 0 355.526 2.565 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@H](c4ccccn4)C3)cc2)CC1 ZINC001140305601 1035427330 /nfs/dbraw/zinc/42/73/30/1035427330.db2.gz DKQGRHHRNUVNOR-QFIPXVFZSA-N 1 0 366.509 2.797 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@H]3[C@@H](C(F)(F)F)O4)cc2)CC1 ZINC001140306182 1035427536 /nfs/dbraw/zinc/42/75/36/1035427536.db2.gz NVPKQCRQOGROOK-BZSNNMDCSA-N 1 0 369.431 2.733 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc2)CC1 ZINC001140305702 1035427634 /nfs/dbraw/zinc/42/76/34/1035427634.db2.gz HCEWLCHSYMBGPA-KRWDZBQOSA-N 1 0 361.530 2.991 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCc4cnc(OC)cc4C3)cc2)CC1 ZINC001140309717 1035429881 /nfs/dbraw/zinc/42/98/81/1035429881.db2.gz RVNUMCXTIPXKNJ-UHFFFAOYSA-N 1 0 366.509 2.790 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232199571 1035495889 /nfs/dbraw/zinc/49/58/89/1035495889.db2.gz DCJLUCFUXPVYBN-QGZVFWFLSA-N 1 0 365.905 2.619 20 10 FFCDRO CCC[NH+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232199490 1035496600 /nfs/dbraw/zinc/49/66/00/1035496600.db2.gz AJVXSJREOQSMLT-ROUUACIJSA-N 1 0 363.933 2.950 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c2ccccc2n1C ZINC001232403938 1035652324 /nfs/dbraw/zinc/65/23/24/1035652324.db2.gz GKZGRYOXXGIINZ-HXUWFJFHSA-N 1 0 356.422 2.637 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC001140620829 1035748219 /nfs/dbraw/zinc/74/82/19/1035748219.db2.gz CRKIKXJQVODNSE-CEWLAPEOSA-N 1 0 361.482 2.876 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1 ZINC001140623564 1035752103 /nfs/dbraw/zinc/75/21/03/1035752103.db2.gz VGJLPKKFRCTZRE-UYAOXDASSA-N 1 0 364.445 2.850 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c1O ZINC001140744631 1036033569 /nfs/dbraw/zinc/03/35/69/1036033569.db2.gz FCKWJLHREGIBHF-MRXNPFEDSA-N 1 0 357.454 2.678 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c(OC)c1 ZINC001140749654 1036054628 /nfs/dbraw/zinc/05/46/28/1036054628.db2.gz IBKJSFQZFZFDPG-UHFFFAOYSA-N 1 0 358.438 2.746 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001232836895 1036091361 /nfs/dbraw/zinc/09/13/61/1036091361.db2.gz VSWCBBNTHZVOOV-LSDHHAIUSA-N 1 0 350.356 2.686 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c(O)c1 ZINC001232840468 1036098872 /nfs/dbraw/zinc/09/88/72/1036098872.db2.gz BBDALBDZTIKRAQ-UHFFFAOYSA-N 1 0 353.422 2.515 20 10 FFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(I)cc1O ZINC001232978231 1036209963 /nfs/dbraw/zinc/20/99/63/1036209963.db2.gz CUAYZPXEJBGJFS-FZMZJTMJSA-N 1 0 372.250 2.523 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC([NH+]2CCC2)CC1 ZINC001232978063 1036210123 /nfs/dbraw/zinc/21/01/23/1036210123.db2.gz VZCZPAYOXAQQFR-UHFFFAOYSA-N 1 0 372.250 2.667 20 10 FFCDRO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001277318515 1036233522 /nfs/dbraw/zinc/23/35/22/1036233522.db2.gz SEUWKPWTBLOVMO-MRXNPFEDSA-N 1 0 358.482 2.883 20 10 FFCDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(O)c(O)c(O)c4)C3)CC2=O)cc1 ZINC001233013262 1036248423 /nfs/dbraw/zinc/24/84/23/1036248423.db2.gz QKFHDUHUNWTOFO-OAQYLSRUSA-N 1 0 368.433 2.741 20 10 FFCDRO CCOCc1nnn2c1C[N@H+](Cc1ccc(N(CC)CC)cc1O)CCC2 ZINC001140852233 1036284951 /nfs/dbraw/zinc/28/49/51/1036284951.db2.gz HBKQCAPRVSZVPB-UHFFFAOYSA-N 1 0 373.501 2.772 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)c(O)c1 ZINC001140857361 1036295775 /nfs/dbraw/zinc/29/57/75/1036295775.db2.gz VQJAUWQDCBSISC-QGZVFWFLSA-N 1 0 372.469 2.690 20 10 FFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC001233109293 1036355741 /nfs/dbraw/zinc/35/57/41/1036355741.db2.gz XBPJVHGMFUFCMD-GOEBONIOSA-N 1 0 369.303 2.616 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1Br ZINC001233135231 1036384550 /nfs/dbraw/zinc/38/45/50/1036384550.db2.gz PBHXJNZSYRGKSC-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO CCOC(=O)c1c(CN2C[C@@H]3C[NH+](CC)C[C@H]3C2)c2ccccc2n1C ZINC001233273763 1036479901 /nfs/dbraw/zinc/47/99/01/1036479901.db2.gz QZSVVFIPVMXUAG-HOTGVXAUSA-N 1 0 355.482 2.739 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c2ccccc2n1C ZINC001233273347 1036480568 /nfs/dbraw/zinc/48/05/68/1036480568.db2.gz YXBJSXGVPNWPJN-OAHLLOKOSA-N 1 0 367.453 2.784 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)cc(OC)c3O)C[C@@H]2C)C1=O ZINC001233288602 1036495880 /nfs/dbraw/zinc/49/58/80/1036495880.db2.gz QINQHTYSJFCUAE-SGTLLEGYSA-N 1 0 352.862 2.745 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c(O)c1 ZINC001140949654 1036545137 /nfs/dbraw/zinc/54/51/37/1036545137.db2.gz GFESEUQBNLBWJN-SFHVURJKSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001140949668 1036547008 /nfs/dbraw/zinc/54/70/08/1036547008.db2.gz HUDJXHDNFNTAKC-JENIJYKNSA-N 1 0 355.438 2.549 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)n1 ZINC001233454674 1036633453 /nfs/dbraw/zinc/63/34/53/1036633453.db2.gz FEIICDNBEAJBPR-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233482742 1036649433 /nfs/dbraw/zinc/64/94/33/1036649433.db2.gz ANDCZWRXCQJMAR-TZMCWYRMSA-N 1 0 364.442 2.635 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)cc1O ZINC001233484842 1036653945 /nfs/dbraw/zinc/65/39/45/1036653945.db2.gz ZGKXJWZKJRKHOE-UHFFFAOYSA-N 1 0 363.417 2.861 20 10 FFCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486898 1036654926 /nfs/dbraw/zinc/65/49/26/1036654926.db2.gz HMLRRGPHJJNVSL-AAEUAGOBSA-N 1 0 352.431 2.681 20 10 FFCDRO Cc1cccc(NC(=O)NC2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233487156 1036656504 /nfs/dbraw/zinc/65/65/04/1036656504.db2.gz SBBXGPMDCSQVJK-UHFFFAOYSA-N 1 0 371.437 2.898 20 10 FFCDRO Oc1c(CN2CCN(CC[NH+]3CCCC3)CC2)cccc1OC(F)(F)F ZINC001233768697 1036752173 /nfs/dbraw/zinc/75/21/73/1036752173.db2.gz XCAUADOPAROYJQ-UHFFFAOYSA-N 1 0 373.419 2.504 20 10 FFCDRO Oc1c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233767432 1036752841 /nfs/dbraw/zinc/75/28/41/1036752841.db2.gz CFGBCJGHGFMEHH-NSHDSACASA-N 1 0 352.303 2.816 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233767396 1036753938 /nfs/dbraw/zinc/75/39/38/1036753938.db2.gz BJTBSMKZSPJGLX-UHFFFAOYSA-N 1 0 356.348 2.799 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c(OC)c1 ZINC001141026615 1036755384 /nfs/dbraw/zinc/75/53/84/1036755384.db2.gz XFIAEQPCSUTDET-UHFFFAOYSA-N 1 0 373.453 2.587 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233776447 1036758779 /nfs/dbraw/zinc/75/87/79/1036758779.db2.gz SMRACBLLXIBZAA-CQSZACIVSA-N 1 0 362.392 2.833 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(OC)c1 ZINC001141032445 1036778395 /nfs/dbraw/zinc/77/83/95/1036778395.db2.gz CFCAYYWPCRMRNP-DLBZAZTESA-N 1 0 352.450 2.808 20 10 FFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)C1=O ZINC001277812977 1036791013 /nfs/dbraw/zinc/79/10/13/1036791013.db2.gz IYQAUMBCUKKWQC-FQEVSTJZSA-N 1 0 362.470 2.634 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCOC)CC2)c(O)c1 ZINC001277826109 1036878046 /nfs/dbraw/zinc/87/80/46/1036878046.db2.gz JUPIIVICIFKHRK-GOSISDBHSA-N 1 0 360.498 2.709 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075842 1036925571 /nfs/dbraw/zinc/92/55/71/1036925571.db2.gz CCWJPHXNTHSSRW-IBGZPJMESA-N 1 0 370.493 2.730 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCS1 ZINC001141078165 1036928481 /nfs/dbraw/zinc/92/84/81/1036928481.db2.gz NKTPGXIWNMHADH-GOSISDBHSA-N 1 0 360.523 2.866 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c(Cl)c1 ZINC001277833429 1036931471 /nfs/dbraw/zinc/93/14/71/1036931471.db2.gz IIUVSJRZGSPVIW-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001277849619 1037003507 /nfs/dbraw/zinc/00/35/07/1037003507.db2.gz YJORKDQNOFHVDA-HNNXBMFYSA-N 1 0 354.450 2.757 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)C(C)C)c2c1 ZINC001234544919 1037079204 /nfs/dbraw/zinc/07/92/04/1037079204.db2.gz NKTUAXXYAALSPL-RUYXUALKSA-N 1 0 354.450 2.756 20 10 FFCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3C=CO[C@@H]4COC(C)(C)O[C@@H]34)cc2)CC1 ZINC001234660020 1037128687 /nfs/dbraw/zinc/12/86/87/1037128687.db2.gz BLIZJFPNSASAHN-AQNXPRMDSA-N 1 0 374.481 2.640 20 10 FFCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001235002899 1037293077 /nfs/dbraw/zinc/29/30/77/1037293077.db2.gz RTFKRFGVOSSHHP-UWJYYQICSA-N 1 0 353.418 2.681 20 10 FFCDRO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(N(C)C)cc1O ZINC001277944180 1037541994 /nfs/dbraw/zinc/54/19/94/1037541994.db2.gz XMKZSWZYSXWYAD-RTBURBONSA-N 1 0 357.498 2.990 20 10 FFCDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC001231467711 1037613179 /nfs/dbraw/zinc/61/31/79/1037613179.db2.gz JRPJKAVKEHBADG-UCNVEGJOSA-N 1 0 369.461 2.943 20 10 FFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231553660 1037676753 /nfs/dbraw/zinc/67/67/53/1037676753.db2.gz ABBWRTREIOXKFY-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001231555891 1037680605 /nfs/dbraw/zinc/68/06/05/1037680605.db2.gz YMRYQGCPOFHHBP-GHMZBOCLSA-N 1 0 354.244 2.964 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCN1C(=O)OC(C)(C)C ZINC001231591656 1037706756 /nfs/dbraw/zinc/70/67/56/1037706756.db2.gz JOXDIIKTNNPBKF-MRXNPFEDSA-N 1 0 350.459 2.768 20 10 FFCDRO Cc1cccc(CN2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1O ZINC001231591456 1037709063 /nfs/dbraw/zinc/70/90/63/1037709063.db2.gz CYCPZVHFBHDVLE-UHFFFAOYSA-N 1 0 370.497 2.503 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[N@@H+]3CCCc4cc(O)c(O)cc4C3)[C@H]2C1 ZINC001207782132 1037720957 /nfs/dbraw/zinc/72/09/57/1037720957.db2.gz WCRUQXUJNLCXMS-OSYLJGHBSA-N 1 0 374.481 2.959 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)cc1O ZINC001231632673 1037751248 /nfs/dbraw/zinc/75/12/48/1037751248.db2.gz AONWTKGOXSQNQP-GXTWGEPZSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)cc1O ZINC001231633430 1037751638 /nfs/dbraw/zinc/75/16/38/1037751638.db2.gz OIRBLFMRBOGFQA-KGLIPLIRSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c(O)cc1O ZINC001231634084 1037753762 /nfs/dbraw/zinc/75/37/62/1037753762.db2.gz AZNKPIQXSSYCHC-GPMSIDNRSA-N 1 0 365.470 2.901 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231635028 1037755082 /nfs/dbraw/zinc/75/50/82/1037755082.db2.gz UGXAYENHNSVTIB-ZDUSSCGKSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC001207850737 1037785104 /nfs/dbraw/zinc/78/51/04/1037785104.db2.gz QBRSIKACHCQXMO-RTWAWAEBSA-N 1 0 360.498 2.793 20 10 FFCDRO CCOC(=O)C1(N)CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001236069550 1037912460 /nfs/dbraw/zinc/91/24/60/1037912460.db2.gz CMNULIIMIJWHSA-UHFFFAOYSA-N 1 0 355.482 2.951 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001231843931 1037940108 /nfs/dbraw/zinc/94/01/08/1037940108.db2.gz BYBZAHNOJCHZBO-WOJBJXKFSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)c(O)c1 ZINC001231845070 1037943404 /nfs/dbraw/zinc/94/34/04/1037943404.db2.gz TWHVBQDOHKBHMG-HGHGUNKESA-N 1 0 372.509 2.905 20 10 FFCDRO c1nn(-c2ccccc2)c2c1CN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236143692 1037947996 /nfs/dbraw/zinc/94/79/96/1037947996.db2.gz JKJUHPWJNHEUAA-UHFFFAOYSA-N 1 0 359.477 2.798 20 10 FFCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)ccn1 ZINC001231854385 1037952324 /nfs/dbraw/zinc/95/23/24/1037952324.db2.gz CVAIPTYHVVWADG-GOSISDBHSA-N 1 0 357.454 2.818 20 10 FFCDRO CN(Cc1ccc(I)cc1O)[C@]1(C)CCC[NH2+]C1 ZINC001236205563 1037983824 /nfs/dbraw/zinc/98/38/24/1037983824.db2.gz GUKYFURVYOHHKE-CQSZACIVSA-N 1 0 360.239 2.571 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c(O)c1 ZINC001236213009 1037989278 /nfs/dbraw/zinc/98/92/78/1037989278.db2.gz ARPCUUVPIPKOCI-ROUUACIJSA-N 1 0 364.486 2.816 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OCC(F)(F)F)cc1O)CC2 ZINC001277982657 1038073848 /nfs/dbraw/zinc/07/38/48/1038073848.db2.gz BOTZKMPLELLDQD-CQSZACIVSA-N 1 0 372.387 2.681 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)cc1OC ZINC001236749808 1038235841 /nfs/dbraw/zinc/23/58/41/1038235841.db2.gz MTBLBEFOXSWHHW-DJJJIMSYSA-N 1 0 364.442 2.508 20 10 FFCDRO COc1cc(O)c(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cc1OC ZINC001236752749 1038237289 /nfs/dbraw/zinc/23/72/89/1038237289.db2.gz ZOBLLFUCPCYXHL-UHFFFAOYSA-N 1 0 369.465 2.512 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)cc1OC ZINC001236752982 1038240360 /nfs/dbraw/zinc/24/03/60/1038240360.db2.gz ATVJDMKGVRHKTB-UHFFFAOYSA-N 1 0 355.438 2.678 20 10 FFCDRO COc1cc(CN2CC([NH+]3CCCCC3)C2)c(O)cc1Br ZINC001236756097 1038243515 /nfs/dbraw/zinc/24/35/15/1038243515.db2.gz IRBFEFFWRGAPEB-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001236757847 1038244446 /nfs/dbraw/zinc/24/44/46/1038244446.db2.gz QBMZROQQYVZOTI-ZDUSSCGKSA-N 1 0 351.443 2.963 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001236786211 1038265137 /nfs/dbraw/zinc/26/51/37/1038265137.db2.gz MYGATLBWBIXOSR-CALCHBBNSA-N 1 0 362.470 2.775 20 10 FFCDRO COc1cc(C)c(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c(O)c1 ZINC001236809302 1038284046 /nfs/dbraw/zinc/28/40/46/1038284046.db2.gz QPMKAZHZIMYEIH-FBBABVLZSA-N 1 0 370.449 2.915 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c(O)c1 ZINC001236810210 1038286934 /nfs/dbraw/zinc/28/69/34/1038286934.db2.gz DGYRFMXRGWPUCX-OAHLLOKOSA-N 1 0 364.486 2.605 20 10 FFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4c(C)cc(OC)cc4O)C[C@@H]32)N=C1C ZINC001236812329 1038287113 /nfs/dbraw/zinc/28/71/13/1038287113.db2.gz ZKPKZQKFSJFBJR-FYINFDKHSA-N 1 0 371.481 2.570 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3nccc(OC)n3)CC2)c(O)c1 ZINC001236815442 1038288361 /nfs/dbraw/zinc/28/83/61/1038288361.db2.gz LQQYSPLMWVICER-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc3ccccc3cc1O)CCO2 ZINC001236833005 1038295459 /nfs/dbraw/zinc/29/54/59/1038295459.db2.gz SMXGPAJAERDNQB-OAQYLSRUSA-N 1 0 354.450 2.759 20 10 FFCDRO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001255997851 1038302743 /nfs/dbraw/zinc/30/27/43/1038302743.db2.gz QWBMTRPMPSIMOW-UHFFFAOYSA-N 1 0 364.486 2.897 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(CN(C)C[C@H](C)[NH3+])c2)nc1C ZINC001236904022 1038344485 /nfs/dbraw/zinc/34/44/85/1038344485.db2.gz IYJSRTZJMZYAAZ-NSHDSACASA-N 1 0 363.483 2.780 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)[C@H]1C ZINC001236927261 1038359993 /nfs/dbraw/zinc/35/99/93/1038359993.db2.gz NIMMMZQSUKMPMI-WMLDXEAASA-N 1 0 366.889 2.950 20 10 FFCDRO CN(Cc1ccc2c(c1)OCO2)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943535 1038370101 /nfs/dbraw/zinc/37/01/01/1038370101.db2.gz SKPDGNDGZNKAQE-UHFFFAOYSA-N 1 0 371.456 2.938 20 10 FFCDRO O=C1COC2(C1)CC[NH+](Cc1ccc(OCC(F)(F)F)cc1O)CC2 ZINC001237053369 1038426077 /nfs/dbraw/zinc/42/60/77/1038426077.db2.gz KRSVYEWVTJOZPP-UHFFFAOYSA-N 1 0 359.344 2.657 20 10 FFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237056689 1038427099 /nfs/dbraw/zinc/42/70/99/1038427099.db2.gz BGCRHPPIAGROLI-CYBMUJFWSA-N 1 0 360.376 2.824 20 10 FFCDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC001237061245 1038428242 /nfs/dbraw/zinc/42/82/42/1038428242.db2.gz ZULZYELYQZXIQH-GFCCVEGCSA-N 1 0 355.276 2.833 20 10 FFCDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1cc(C)n(-c3ccccc3)c1C)CC2 ZINC001237060221 1038428519 /nfs/dbraw/zinc/42/85/19/1038428519.db2.gz ILJYAYRUSTYCLT-UNMCSNQZSA-N 1 0 367.493 2.821 20 10 FFCDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1ccc(N(C)C)c3ccccc13)CC2 ZINC001237062581 1038429999 /nfs/dbraw/zinc/42/99/99/1038429999.db2.gz NMDDORURLUWCRF-RBBKRZOGSA-N 1 0 367.493 2.633 20 10 FFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237068263 1038433648 /nfs/dbraw/zinc/43/36/48/1038433648.db2.gz NZGPRNOEMSSZRN-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141862 1038453782 /nfs/dbraw/zinc/45/37/82/1038453782.db2.gz GDGKHAIXDZKCRL-OAHLLOKOSA-N 1 0 374.403 2.870 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001256455769 1038520333 /nfs/dbraw/zinc/52/03/33/1038520333.db2.gz GZRUTFPLCWZQOE-JSGCOSHPSA-N 1 0 364.442 2.658 20 10 FFCDRO CCOC(=O)c1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccc(O)c(O)c2)cc1 ZINC001257150055 1038725916 /nfs/dbraw/zinc/72/59/16/1038725916.db2.gz AHWCEHUOFHKPFL-CYBMUJFWSA-N 1 0 357.406 2.678 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)cc1 ZINC001209520447 1038950743 /nfs/dbraw/zinc/95/07/43/1038950743.db2.gz WXBJPKHWJLVYRK-UHFFFAOYSA-N 1 0 353.466 2.575 20 10 FFCDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209729019 1039162136 /nfs/dbraw/zinc/16/21/36/1039162136.db2.gz ZOQNBJREHTYWDP-UHFFFAOYSA-N 1 0 354.454 2.995 20 10 FFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)c(O)c1 ZINC001278428249 1039227799 /nfs/dbraw/zinc/22/77/99/1039227799.db2.gz LOVZQNFRQMULQE-TXEJJXNPSA-N 1 0 360.376 2.795 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)c(O)c1 ZINC001278428232 1039228057 /nfs/dbraw/zinc/22/80/57/1039228057.db2.gz KTUJLRJHROYMCY-SMDDNHRTSA-N 1 0 360.376 2.652 20 10 FFCDRO O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001276684463 1039560191 /nfs/dbraw/zinc/56/01/91/1039560191.db2.gz ZZVDXRCTJMQESF-OAQYLSRUSA-N 1 0 352.434 2.511 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)ccc1N(C)C ZINC001278687287 1039782251 /nfs/dbraw/zinc/78/22/51/1039782251.db2.gz SPALSSPRGKLGNT-SFTDATJTSA-N 1 0 353.514 2.606 20 10 FFCDRO CC(=O)N[C@@H](CC[NH3+])c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247635470 1039850411 /nfs/dbraw/zinc/85/04/11/1039850411.db2.gz AWEJUBVJGJMDAA-KRWDZBQOSA-N 1 0 353.426 2.670 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc4n3CCC4)CC2)cc1 ZINC001248824991 1040451889 /nfs/dbraw/zinc/45/18/89/1040451889.db2.gz LKHSAJPUSYIDQI-UHFFFAOYSA-N 1 0 355.482 2.782 20 10 FFCDRO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001278751062 1040469681 /nfs/dbraw/zinc/46/96/81/1040469681.db2.gz SQOIFRCDUZWFPQ-ALOPSCKCSA-N 1 0 356.470 2.599 20 10 FFCDRO COC(=O)Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)c(O)c1 ZINC001249172533 1040613531 /nfs/dbraw/zinc/61/35/31/1040613531.db2.gz OEUIECGNYYRXME-UHFFFAOYSA-N 1 0 356.466 2.672 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c(O)c1 ZINC001249218509 1040634990 /nfs/dbraw/zinc/63/49/90/1040634990.db2.gz XUTMVONGWVEWLM-SFHVURJKSA-N 1 0 368.433 2.711 20 10 FFCDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249258575 1040654345 /nfs/dbraw/zinc/65/43/45/1040654345.db2.gz KJLFILAOUNSGEW-UHFFFAOYSA-N 1 0 360.498 2.855 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC)O1 ZINC001254716442 1040904303 /nfs/dbraw/zinc/90/43/03/1040904303.db2.gz NPBKRRYWOXLZMK-BGYRXZFFSA-N 1 0 374.529 2.537 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001249725629 1040963478 /nfs/dbraw/zinc/96/34/78/1040963478.db2.gz RKGBLOLVFBRURP-HXUWFJFHSA-N 1 0 363.454 2.869 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H](COC)C2)c(O)c1 ZINC001249725979 1040965954 /nfs/dbraw/zinc/96/59/54/1040965954.db2.gz VJWYXSAWLUCPNA-HNNXBMFYSA-N 1 0 351.443 2.583 20 10 FFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254829951 1040989457 /nfs/dbraw/zinc/98/94/57/1040989457.db2.gz VCFZAZOJNLFTTA-MRXNPFEDSA-N 1 0 362.470 2.993 20 10 FFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261182125 1041052841 /nfs/dbraw/zinc/05/28/41/1041052841.db2.gz KKHJKDCSXKZSDN-HKUYNNGSSA-N 1 0 360.521 2.636 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2F)CC1 ZINC001261206336 1041065922 /nfs/dbraw/zinc/06/59/22/1041065922.db2.gz KSEKNNBAPIYZQF-UXHICEINSA-N 1 0 361.505 2.967 20 10 FFCDRO CCc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001255075779 1041128556 /nfs/dbraw/zinc/12/85/56/1041128556.db2.gz PXAOZHABWWZEJZ-UHFFFAOYSA-N 1 0 359.495 2.802 20 10 FFCDRO C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3c([O-])cc(F)cc3F)(C1)CCC2 ZINC001278606034 1041393142 /nfs/dbraw/zinc/39/31/42/1041393142.db2.gz QJZWQCYPDMFKJX-RBUKOAKNSA-N 1 0 353.457 2.757 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCOCC3CC3)C[C@H]2C)cc1C ZINC001214612798 1041503683 /nfs/dbraw/zinc/50/36/83/1041503683.db2.gz QEGVFGTWXBMOMO-VQIMIIECSA-N 1 0 360.498 2.757 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001262600864 1041747870 /nfs/dbraw/zinc/74/78/70/1041747870.db2.gz OONSQMQDUJKKAC-HZSPNIEDSA-N 1 0 368.275 2.579 20 10 FFCDRO Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(C)n1 ZINC001215828306 1041892500 /nfs/dbraw/zinc/89/25/00/1041892500.db2.gz FRQKALNDYBCIHS-IBGZPJMESA-N 1 0 355.486 2.611 20 10 FFCDRO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccc(N(C)C)cc4)[C@@H]3C2)n(C)n1 ZINC001279150476 1042921224 /nfs/dbraw/zinc/92/12/24/1042921224.db2.gz ZNOVVYBPMISDMM-GHTZIAJQSA-N 1 0 353.514 2.501 20 10 FFCDRO O=c1cccc(CN2CC3(C2)CCC[N@@H+](Cc2cc(F)ccc2O)C3)[nH]1 ZINC001279197121 1042941651 /nfs/dbraw/zinc/94/16/51/1042941651.db2.gz KCSWFBCLQWYLJB-UHFFFAOYSA-N 1 0 357.429 2.730 20 10 FFCDRO O=C(Nc1cccnc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001279197079 1042941705 /nfs/dbraw/zinc/94/17/05/1042941705.db2.gz IVKHLBJDXKTMMW-IRXDYDNUSA-N 1 0 356.401 2.807 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1CC2(C1)C[NH+](Cc1cccc(C)c1O)C2 ZINC001279290736 1042985767 /nfs/dbraw/zinc/98/57/67/1042985767.db2.gz SSWIOOLUNITWEH-UHFFFAOYSA-N 1 0 356.426 2.655 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1O ZINC001279313662 1042996399 /nfs/dbraw/zinc/99/63/99/1042996399.db2.gz OSXZXBPYOJNDRA-GASCZTMLSA-N 1 0 374.403 2.634 20 10 FFCDRO O=S1(=O)CCN(c2ccc(CN3CCc4ccsc4C3)cc2)CC1 ZINC001237213770 1043056739 /nfs/dbraw/zinc/05/67/39/1043056739.db2.gz WMFCKLUFBLYFSC-UHFFFAOYSA-N 1 0 362.520 2.541 20 10 FFCDRO COCCOCN1CCC2(C1)CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001279433193 1043107405 /nfs/dbraw/zinc/10/74/05/1043107405.db2.gz SIOQNJOMTMRNJL-UHFFFAOYSA-N 1 0 362.514 2.917 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cc(F)cc(C)c2O)c1 ZINC001237453547 1043175875 /nfs/dbraw/zinc/17/58/75/1043175875.db2.gz GIVSUYLJUKNDCU-SFHVURJKSA-N 1 0 358.413 2.773 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001237484875 1043195927 /nfs/dbraw/zinc/19/59/27/1043195927.db2.gz JJWCZARLWCCPAP-WMZOPIPTSA-N 1 0 362.470 2.911 20 10 FFCDRO CN1CCCc2cc(C[N@H+]3C[C@@H]4[C@H](C3)OCCN4C3CCCC3)ccc21 ZINC001279551166 1043245544 /nfs/dbraw/zinc/24/55/44/1043245544.db2.gz KDAIGJFBFUGOLG-YADHBBJMSA-N 1 0 355.526 2.897 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)cc1Br ZINC001237685254 1043310913 /nfs/dbraw/zinc/31/09/13/1043310913.db2.gz XMBGCAYOCUFOLF-VIKVFOODSA-N 1 0 367.287 2.666 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c1O ZINC001237686283 1043313519 /nfs/dbraw/zinc/31/35/19/1043313519.db2.gz HMIWULKVMNJQRL-IAGOWNOFSA-N 1 0 371.868 2.953 20 10 FFCDRO Oc1c(I)cccc1CN1CCC([NH+]2CCC2)CC1 ZINC001237785457 1043359038 /nfs/dbraw/zinc/35/90/38/1043359038.db2.gz GBCKDPPQHCTIRC-UHFFFAOYSA-N 1 0 372.250 2.667 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c(O)c1 ZINC001279668333 1043435677 /nfs/dbraw/zinc/43/56/77/1043435677.db2.gz XTOPIXOQTFKVHN-UHFFFAOYSA-N 1 0 361.486 2.725 20 10 FFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001279697540 1043486782 /nfs/dbraw/zinc/48/67/82/1043486782.db2.gz ZMDZFBHHJBBCCA-FQEVSTJZSA-N 1 0 367.484 2.910 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c1O ZINC001238061964 1043508414 /nfs/dbraw/zinc/50/84/14/1043508414.db2.gz QNLXQVWGLQMEHX-UHFFFAOYSA-N 1 0 356.445 2.831 20 10 FFCDRO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001279765016 1043608548 /nfs/dbraw/zinc/60/85/48/1043608548.db2.gz MATKSKCXEQOGOP-NRFANRHFSA-N 1 0 359.514 2.702 20 10 FFCDRO Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(C)n1 ZINC001311104021 1043803803 /nfs/dbraw/zinc/80/38/03/1043803803.db2.gz WXBHSBSGABDVKL-QGZVFWFLSA-N 1 0 356.474 2.584 20 10 FFCDRO Cc1noc(NC(=O)[C@H]2CCSC23C[NH+](Cc2ccccc2O)C3)c1C ZINC001279967927 1044001611 /nfs/dbraw/zinc/00/16/11/1044001611.db2.gz BPDASPOVGDNZPZ-OAHLLOKOSA-N 1 0 373.478 2.943 20 10 FFCDRO O=C(Nc1ccc2nsnc2c1)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279968948 1044003647 /nfs/dbraw/zinc/00/36/47/1044003647.db2.gz RNLBYWVXSNHUFY-CQSZACIVSA-N 1 0 366.446 2.858 20 10 FFCDRO C[C@@H](NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)c1ncc[nH]1 ZINC001279969148 1044004664 /nfs/dbraw/zinc/00/46/64/1044004664.db2.gz VHSVICWIZVEWFY-GDBMZVCRSA-N 1 0 354.454 2.595 20 10 FFCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001239175806 1044061788 /nfs/dbraw/zinc/06/17/88/1044061788.db2.gz WIQQQNWNZZLRAY-XJUSPUEMSA-N 1 0 374.466 2.709 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)c(O)c1 ZINC001280035695 1044114336 /nfs/dbraw/zinc/11/43/36/1044114336.db2.gz XUYSTXZDIRSVHV-UTKZUKDTSA-N 1 0 355.482 2.601 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001280046003 1044132543 /nfs/dbraw/zinc/13/25/43/1044132543.db2.gz FGBNDXOBPDSTSB-WIYYLYMNSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1ccc(C[NH2+]C23CC(C(=O)Nc4ccc(O)cc4O)(C2)C3)c(O)c1 ZINC001280046005 1044133098 /nfs/dbraw/zinc/13/30/98/1044133098.db2.gz FHGUERQSGDQWIC-UHFFFAOYSA-N 1 0 354.406 2.763 20 10 FFCDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCCN2C)C(C)C ZINC001280080331 1044181044 /nfs/dbraw/zinc/18/10/44/1044181044.db2.gz DUWKSDVYKUMCLS-UTKZUKDTSA-N 1 0 357.498 2.737 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@H]2CCCS2)[NH+](C)C)cc1 ZINC001313085410 1044228775 /nfs/dbraw/zinc/22/87/75/1044228775.db2.gz JVXTUYOHWHFMTD-MSOLQXFVSA-N 1 0 364.559 2.940 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC(C)(F)CC2)[NH+](C)C)cc1 ZINC001313394625 1044344505 /nfs/dbraw/zinc/34/45/05/1044344505.db2.gz SRDDXZVVHZFOQA-KRWDZBQOSA-N 1 0 350.482 2.889 20 10 FFCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320793311 1045469203 /nfs/dbraw/zinc/46/92/03/1045469203.db2.gz QVTZTVDKLSIIDS-QGZVFWFLSA-N 1 0 372.488 2.851 20 10 FFCDRO CN(C)c1nccc2c1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001474754080 1045546412 /nfs/dbraw/zinc/54/64/12/1045546412.db2.gz MYJMWGUYBYZVNQ-UHFFFAOYSA-N 1 0 366.509 2.667 20 10 FFCDRO CC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1(C)C ZINC001539707175 1070684928 /nfs/dbraw/zinc/68/49/28/1070684928.db2.gz OOFUKMHWEOKGRT-OTWHNJEPSA-N 1 0 359.514 2.723 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3Cc4cccc(O)c4C3)cc2F)CC1 ZINC001324592870 1046117753 /nfs/dbraw/zinc/11/77/53/1046117753.db2.gz RXJNEWSBCXGTOU-KRWDZBQOSA-N 1 0 355.457 2.540 20 10 FFCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001322616858 1046152749 /nfs/dbraw/zinc/15/27/49/1046152749.db2.gz YDKACRCXXKHEDI-CMKODMSKSA-N 1 0 360.498 2.757 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3CCCC[C@H]3C1)cc2=O ZINC001322738940 1046205138 /nfs/dbraw/zinc/20/51/38/1046205138.db2.gz OMGCSSROFPTCIS-KGLIPLIRSA-N 1 0 358.442 2.624 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)[NH+](C)C)cc1 ZINC001289600907 1047708137 /nfs/dbraw/zinc/70/81/37/1047708137.db2.gz UTLPNVAQVRRHGN-ICSRJNTNSA-N 1 0 371.456 2.614 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC001327566927 1047950677 /nfs/dbraw/zinc/95/06/77/1047950677.db2.gz YRHODGSCNIRGHA-SNVBAGLBSA-N 1 0 362.392 2.855 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(N)cc3Cl)cc2)CC1 ZINC001332068287 1048233617 /nfs/dbraw/zinc/23/36/17/1048233617.db2.gz JBARRJDXVHPISD-UHFFFAOYSA-N 1 0 358.873 2.604 20 10 FFCDRO CC[C@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[NH2+]C1 ZINC001332125625 1048258029 /nfs/dbraw/zinc/25/80/29/1048258029.db2.gz RRXCOHSBRKFOBC-IBGZPJMESA-N 1 0 367.440 2.763 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CCC(=O)[O-])C(F)(F)F)cc2)CC1 ZINC001328487452 1048323276 /nfs/dbraw/zinc/32/32/76/1048323276.db2.gz JTGAEFLTZCYMSL-HNNXBMFYSA-N 1 0 373.419 2.571 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C2CC2)cc1 ZINC001332579951 1048461777 /nfs/dbraw/zinc/46/17/77/1048461777.db2.gz SWHIJLMUFLBLRD-HNNXBMFYSA-N 1 0 366.456 2.671 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCCO[C@H]3CCCCO3)cc2F)CC1 ZINC001332782676 1048560357 /nfs/dbraw/zinc/56/03/57/1048560357.db2.gz IMALAFIZBRWWGM-FQEVSTJZSA-N 1 0 365.493 2.600 20 10 FFCDRO CN1CCN(c2ccc(CN(CC[NH3+])CCc3ccccc3)cc2F)CC1 ZINC001329433444 1048717848 /nfs/dbraw/zinc/71/78/48/1048717848.db2.gz OVPLKVDAYNJACK-UHFFFAOYSA-N 1 0 370.516 2.581 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001330532042 1049193524 /nfs/dbraw/zinc/19/35/24/1049193524.db2.gz BHVIWAYZDPOXJC-SFHVURJKSA-N 1 0 363.502 2.604 20 10 FFCDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001294923166 1049841287 /nfs/dbraw/zinc/84/12/87/1049841287.db2.gz PLFABHXQKWGZCM-UHFFFAOYSA-N 1 0 369.425 2.759 20 10 FFCDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001341570946 1050198067 /nfs/dbraw/zinc/19/80/67/1050198067.db2.gz KLWYRQGROBSDNR-JOCHJYFZSA-N 1 0 365.477 2.712 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2[nH]cnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304768820 1051689928 /nfs/dbraw/zinc/68/99/28/1051689928.db2.gz QALXLAIOQQFKLO-INIZCTEOSA-N 1 0 357.502 2.806 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2[nH]cnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001304768823 1051690159 /nfs/dbraw/zinc/69/01/59/1051690159.db2.gz QALXLAIOQQFKLO-MRXNPFEDSA-N 1 0 357.502 2.806 20 10 FFCDRO COC(=O)c1c(CN2CC[C@H]([NH+]3CCCC3)C2)c2cc(F)ccc2n1C ZINC001308595824 1052475256 /nfs/dbraw/zinc/47/52/56/1052475256.db2.gz DGEFWXVLZNWXTM-HNNXBMFYSA-N 1 0 359.445 2.774 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCC[NH2+]1 ZINC001346104704 1052749982 /nfs/dbraw/zinc/74/99/82/1052749982.db2.gz DXWVYMGFPAHTQZ-PBHICJAKSA-N 1 0 367.440 2.905 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001335441174 1053364925 /nfs/dbraw/zinc/36/49/25/1053364925.db2.gz MOWHPQQBHUFENJ-WMZOPIPTSA-N 1 0 350.528 2.836 20 10 FFCDRO O=C(NCc1cccc(O)c1O)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001347235410 1053744005 /nfs/dbraw/zinc/74/40/05/1053744005.db2.gz VUNWOWZKTZKCCA-KRWDZBQOSA-N 1 0 358.413 2.908 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1OC ZINC001352023690 1055131913 /nfs/dbraw/zinc/13/19/13/1055131913.db2.gz XSAUGVDBINIMCC-LRDDRELGSA-N 1 0 363.376 2.983 20 10 FFCDRO CCN1CCC([NH+]2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)CC1 ZINC000847297045 1055412491 /nfs/dbraw/zinc/41/24/91/1055412491.db2.gz YJYSDTVFENTXJG-UHFFFAOYSA-N 1 0 372.557 2.565 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)c(C)cn3)cc2F)CC1 ZINC001456130728 1060018817 /nfs/dbraw/zinc/01/88/17/1060018817.db2.gz QUIQUNFNWSGHAX-UHFFFAOYSA-N 1 0 370.472 2.909 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cc1 ZINC001521409531 1060580621 /nfs/dbraw/zinc/58/06/21/1060580621.db2.gz YVRKWBACZJBVAO-VDGAXYAQSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC001521409528 1060580660 /nfs/dbraw/zinc/58/06/60/1060580660.db2.gz YVRKWBACZJBVAO-DBVUQKKJSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)CC2)cc1 ZINC001521409529 1060581232 /nfs/dbraw/zinc/58/12/32/1060581232.db2.gz YVRKWBACZJBVAO-UXPWSPDFSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC001461116530 1061214535 /nfs/dbraw/zinc/21/45/35/1061214535.db2.gz VWHUENDDBRMQDF-UHFFFAOYSA-N 1 0 355.482 2.616 20 10 FFCDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC001461405012 1061312514 /nfs/dbraw/zinc/31/25/14/1061312514.db2.gz HVPWMADWOHTSGP-QGZVFWFLSA-N 1 0 372.440 2.764 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC001461676825 1061376204 /nfs/dbraw/zinc/37/62/04/1061376204.db2.gz OTCRMLYJAKXHAA-XHDPSFHLSA-N 1 0 361.364 2.986 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c(O)c1 ZINC001461955190 1061461526 /nfs/dbraw/zinc/46/15/26/1061461526.db2.gz IFBNPIKSBHVHNE-APWZRJJASA-N 1 0 359.514 2.513 20 10 FFCDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001462058416 1061491058 /nfs/dbraw/zinc/49/10/58/1061491058.db2.gz HVPOJTKMAXSOLL-HXUWFJFHSA-N 1 0 364.493 2.753 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765797757 1061583525 /nfs/dbraw/zinc/58/35/25/1061583525.db2.gz RSWUTKQUDUNMAI-HZPDHXFCSA-N 1 0 360.458 2.589 20 10 FFCDRO COC1(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001478732600 1062097586 /nfs/dbraw/zinc/09/75/86/1062097586.db2.gz GLICQGZPZUFXQW-GOSISDBHSA-N 1 0 362.518 2.614 20 10 FFCDRO COCCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001479533554 1062505002 /nfs/dbraw/zinc/50/50/02/1062505002.db2.gz JAWKJVVRVLGSCF-GOSISDBHSA-N 1 0 362.518 2.614 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]CCN2CCN(C(C)=O)CC2)cc1 ZINC001473932526 1065422513 /nfs/dbraw/zinc/42/25/13/1065422513.db2.gz KYKYXKVNLWCLLR-UHFFFAOYSA-N 1 0 360.546 2.567 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnc(Cl)c(C)c3)CC2)cc1 ZINC001473961338 1065427214 /nfs/dbraw/zinc/42/72/14/1065427214.db2.gz ARQXYNGBJCCWDA-UHFFFAOYSA-N 1 0 374.916 2.964 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1c(C)cc(OC)cc1O ZINC001474315834 1065491545 /nfs/dbraw/zinc/49/15/45/1065491545.db2.gz ZJYHKYAJTIKHIR-UHFFFAOYSA-N 1 0 360.429 2.987 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1OC ZINC001474477390 1065531116 /nfs/dbraw/zinc/53/11/16/1065531116.db2.gz RZISFESPRCOICY-GFCCVEGCSA-N 1 0 369.425 2.749 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001474741222 1065594807 /nfs/dbraw/zinc/59/48/07/1065594807.db2.gz HROIBNYOUAXAAB-GOSISDBHSA-N 1 0 359.470 2.915 20 10 FFCDRO CCCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001577501639 1078369185 /nfs/dbraw/zinc/36/91/85/1078369185.db2.gz OKVQAWNIPRUIKC-INIZCTEOSA-N 1 0 360.481 2.802 20 10 FFCDRO CCOC(C)(C)Cn1c([C@H]2C[C@@H]([NH3+])C2)nnc1N(C)Cc1ccccc1O ZINC001578072329 1078435805 /nfs/dbraw/zinc/43/58/05/1078435805.db2.gz YCKYIVBRIAQTES-IYBDPMFKSA-N 1 0 373.501 2.640 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC001578424754 1078472876 /nfs/dbraw/zinc/47/28/76/1078472876.db2.gz USMQAWSRZLLQLH-KRWDZBQOSA-N 1 0 350.422 2.837 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]34CCC[NH2+]C4)ccc21 ZINC001579069157 1078568065 /nfs/dbraw/zinc/56/80/65/1078568065.db2.gz XGLVFKBRMSJNDJ-NRFANRHFSA-N 1 0 355.482 2.873 20 10 FFCDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001580885946 1078884792 /nfs/dbraw/zinc/88/47/92/1078884792.db2.gz SIZQQGWEOXUHRV-CYBMUJFWSA-N 1 0 355.276 2.546 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001557884216 1075905933 /nfs/dbraw/zinc/90/59/33/1075905933.db2.gz XGULXOPXMOPCIE-HNNXBMFYSA-N 1 0 361.511 2.731 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3c(F)cccc3F)CC2)cc1 ZINC001560295305 1076261546 /nfs/dbraw/zinc/26/15/46/1076261546.db2.gz USLIUSVQAJKVEV-UHFFFAOYSA-N 1 0 361.436 2.885 20 10 FFCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560327271 1076264766 /nfs/dbraw/zinc/26/47/66/1076264766.db2.gz DDAQQQYYWAYZAZ-NRFANRHFSA-N 1 0 357.473 2.709 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](CO)CCc3ccccc3)cc2F)CC1 ZINC001560594233 1076282679 /nfs/dbraw/zinc/28/26/79/1076282679.db2.gz GMSNQTYWCGAJBA-FQEVSTJZSA-N 1 0 371.500 2.661 20 10 FFCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCCO1 ZINC001564991413 1076676412 /nfs/dbraw/zinc/67/64/12/1076676412.db2.gz RAZTUNMDVURGBA-VQTJNVASSA-N 1 0 374.529 2.585 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C4CCC4)C3)cc2)CC1 ZINC001565273101 1076708024 /nfs/dbraw/zinc/70/80/24/1076708024.db2.gz MLLKCBBTAXECML-IBGZPJMESA-N 1 0 356.514 2.770 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC001586992037 1079717074 /nfs/dbraw/zinc/71/70/74/1079717074.db2.gz JPGVFULKLLCVOI-SFHVURJKSA-N 1 0 355.482 2.669 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000066940605 506705333 /nfs/dbraw/zinc/70/53/33/506705333.db2.gz JIWKNJOFULBUDU-LJQANCHMSA-N 1 0 357.429 2.619 20 10 FFCDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000108780976 507918277 /nfs/dbraw/zinc/91/82/77/507918277.db2.gz DTAKICREFHKMCB-RMKNXTFCSA-N 1 0 371.525 2.916 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1O ZINC000073724164 507949806 /nfs/dbraw/zinc/94/98/06/507949806.db2.gz FNJCUZMPLSNYAU-OAHLLOKOSA-N 1 0 369.465 2.647 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1O ZINC000073785410 507955893 /nfs/dbraw/zinc/95/58/93/507955893.db2.gz VYDHGJJHTHROJZ-MRXNPFEDSA-N 1 0 361.417 2.642 20 10 FFCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000091963814 508028046 /nfs/dbraw/zinc/02/80/46/508028046.db2.gz VLQWSOYBDUXJGO-UHFFFAOYSA-N 1 0 374.506 2.915 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000152864077 508525746 /nfs/dbraw/zinc/52/57/46/508525746.db2.gz FPZCSFLXDHEONW-RXVVDRJESA-N 1 0 370.493 2.922 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000128000502 508533192 /nfs/dbraw/zinc/53/31/92/508533192.db2.gz UEQGLVDBBRPCRQ-OAHLLOKOSA-N 1 0 361.511 2.683 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000152985819 508537096 /nfs/dbraw/zinc/53/70/96/508537096.db2.gz DZEREJRNKWVDMV-GOSISDBHSA-N 1 0 367.497 2.958 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000132471765 509036015 /nfs/dbraw/zinc/03/60/15/509036015.db2.gz YEEVCCDROJJLTM-JOCHJYFZSA-N 1 0 374.573 2.526 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000121507026 509177196 /nfs/dbraw/zinc/17/71/96/509177196.db2.gz UJBJJYRZBZDZAK-LJQANCHMSA-N 1 0 356.514 2.840 20 10 FFCDRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCSC1 ZINC000267158839 509372061 /nfs/dbraw/zinc/37/20/61/509372061.db2.gz IZQLNADHFKSXKV-LJQANCHMSA-N 1 0 362.543 2.523 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000226036502 509395027 /nfs/dbraw/zinc/39/50/27/509395027.db2.gz VGUZJHMVTQRWNZ-UHFFFAOYSA-N 1 0 357.248 2.865 20 10 FFCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)nc1 ZINC000179564709 509515768 /nfs/dbraw/zinc/51/57/68/509515768.db2.gz CJCSHBRDWRQQBJ-UHFFFAOYSA-N 1 0 355.438 2.676 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000179674380 509568769 /nfs/dbraw/zinc/56/87/69/509568769.db2.gz PJQYGZAAHUTTHK-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000166651317 509613593 /nfs/dbraw/zinc/61/35/93/509613593.db2.gz KFQHCZNRBSGIRT-OREJSRFESA-N 1 0 356.441 2.971 20 10 FFCDRO CCOC1CC(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000193399085 509896713 /nfs/dbraw/zinc/89/67/13/509896713.db2.gz CUMDQSBMCBLJSC-MDMXATFFSA-N 1 0 361.530 2.673 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000184689417 510464861 /nfs/dbraw/zinc/46/48/61/510464861.db2.gz VHYDPWDOASEFGR-GFCCVEGCSA-N 1 0 362.861 2.972 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000178500131 510632725 /nfs/dbraw/zinc/63/27/25/510632725.db2.gz OXEOSWYJROPMOT-OAHLLOKOSA-N 1 0 361.511 2.854 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185029540 510644092 /nfs/dbraw/zinc/64/40/92/510644092.db2.gz YVNQUCHIOGIDMB-CQSZACIVSA-N 1 0 350.484 2.868 20 10 FFCDRO COc1c(O)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000282288784 510916512 /nfs/dbraw/zinc/91/65/12/510916512.db2.gz LNNSRRBHCURCRK-LJQANCHMSA-N 1 0 358.394 2.623 20 10 FFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(F)ccc(O)c3O)C2)CC1 ZINC000276596739 510943260 /nfs/dbraw/zinc/94/32/60/510943260.db2.gz NTTYIYYNTRRNKZ-CQSZACIVSA-N 1 0 350.434 2.821 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000277322497 510960766 /nfs/dbraw/zinc/96/07/66/510960766.db2.gz DPFOINIFWHVHJT-CHWSQXEVSA-N 1 0 370.291 2.827 20 10 FFCDRO C[C@@H](NC(=O)NCc1cccc(Br)c1O)C1=CC[N@H+](C)CC1 ZINC000277314528 510961005 /nfs/dbraw/zinc/96/10/05/510961005.db2.gz CZGHSKXROPKORP-LLVKDONJSA-N 1 0 368.275 2.604 20 10 FFCDRO C[NH+]1CCC(CCNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277411773 510962298 /nfs/dbraw/zinc/96/22/98/510962298.db2.gz KNXNEGCDULUOMD-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000271122379 511088977 /nfs/dbraw/zinc/08/89/77/511088977.db2.gz YOAMTOUTWPCCQF-AWEZNQCLSA-N 1 0 366.458 2.851 20 10 FFCDRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000271142296 511095370 /nfs/dbraw/zinc/09/53/70/511095370.db2.gz SLSBTQWTMFZUEL-GOSISDBHSA-N 1 0 359.514 2.604 20 10 FFCDRO CN1C(=O)NC2(CC[NH+](Cc3cc(-c4ccccc4)ccc3O)CC2)C1=O ZINC000289547390 511104049 /nfs/dbraw/zinc/10/40/49/511104049.db2.gz XJWFFDJUPLXNEZ-UHFFFAOYSA-N 1 0 365.433 2.575 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(C)cc1O ZINC000279930554 511270568 /nfs/dbraw/zinc/27/05/68/511270568.db2.gz AQUHMDWSSNXVSS-INIZCTEOSA-N 1 0 358.438 2.814 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000280052116 511317716 /nfs/dbraw/zinc/31/77/16/511317716.db2.gz GIGHKZDRHJQJKQ-UHFFFAOYSA-N 1 0 352.434 2.761 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)ccc21 ZINC000365224753 511325932 /nfs/dbraw/zinc/32/59/32/511325932.db2.gz OIDNQUHOWITEOZ-VQIMIIECSA-N 1 0 355.482 2.729 20 10 FFCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295598888 511456570 /nfs/dbraw/zinc/45/65/70/511456570.db2.gz CPXPKCDSAYAVKL-KBXCAEBGSA-N 1 0 364.536 2.907 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000273432553 511526527 /nfs/dbraw/zinc/52/65/27/511526527.db2.gz LIURILSZSMKPAS-ZDUSSCGKSA-N 1 0 364.423 2.733 20 10 FFCDRO COc1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1OC ZINC000299465986 511646683 /nfs/dbraw/zinc/64/66/83/511646683.db2.gz BJFWBTOZYWTZRU-INIZCTEOSA-N 1 0 373.453 2.512 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000301720885 511701635 /nfs/dbraw/zinc/70/16/35/511701635.db2.gz MKYLOFGFQFEEDH-CGMDNHBQSA-N 1 0 359.426 2.702 20 10 FFCDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000274090980 511717216 /nfs/dbraw/zinc/71/72/16/511717216.db2.gz QERRKDRZQIDETJ-NRFANRHFSA-N 1 0 364.530 2.911 20 10 FFCDRO COc1ccc(CN2CCC[N@H+](Cc3cccc(OC)c3O)CC2=O)cc1 ZINC000274330183 511796430 /nfs/dbraw/zinc/79/64/30/511796430.db2.gz CSPQANVEHSJPKA-UHFFFAOYSA-N 1 0 370.449 2.644 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000284867296 511904889 /nfs/dbraw/zinc/90/48/89/511904889.db2.gz DLAGVRFSUOZHRW-ZIAGYGMSSA-N 1 0 360.292 2.711 20 10 FFCDRO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274760502 511933256 /nfs/dbraw/zinc/93/32/56/511933256.db2.gz JZLGBJWKBALNIA-KBPBESRZSA-N 1 0 354.248 2.663 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274873655 511972253 /nfs/dbraw/zinc/97/22/53/511972253.db2.gz GFXNPXBOVWTGNX-ZFWWWQNUSA-N 1 0 354.248 2.663 20 10 FFCDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000375761154 512491962 /nfs/dbraw/zinc/49/19/62/512491962.db2.gz UUDHJEDZXBASEG-JOCHJYFZSA-N 1 0 362.477 2.806 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1C ZINC000375969533 512593818 /nfs/dbraw/zinc/59/38/18/512593818.db2.gz RBENOWIBXJDRDJ-MRXNPFEDSA-N 1 0 370.497 2.696 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000378347630 512708145 /nfs/dbraw/zinc/70/81/45/512708145.db2.gz AENCMAIGECDCNX-CQSZACIVSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OC ZINC000374183105 512697580 /nfs/dbraw/zinc/69/75/80/512697580.db2.gz LDJNEVWFPPGRBE-PBHICJAKSA-N 1 0 370.449 2.689 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374990232 513100009 /nfs/dbraw/zinc/10/00/09/513100009.db2.gz SLSSLQXXFGAXAE-FNORWQNLSA-N 1 0 359.426 2.846 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCOC2)C1 ZINC000435549341 513615018 /nfs/dbraw/zinc/61/50/18/513615018.db2.gz KDCYCBBOZNRCMM-QGZVFWFLSA-N 1 0 369.509 2.951 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCOC2)C1 ZINC000435871800 513704739 /nfs/dbraw/zinc/70/47/39/513704739.db2.gz UZWPZYDVWNVTBQ-MRXNPFEDSA-N 1 0 355.482 2.703 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)ccc21 ZINC000453022057 514605225 /nfs/dbraw/zinc/60/52/25/514605225.db2.gz CHFCZXOOEZPAAP-FXAWDEMLSA-N 1 0 355.482 2.681 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000473272892 515560328 /nfs/dbraw/zinc/56/03/28/515560328.db2.gz ASTBMMKFDKWBRL-UHFFFAOYSA-N 1 0 366.465 2.752 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ncccn2)C1 ZINC000574722593 519298265 /nfs/dbraw/zinc/29/82/65/519298265.db2.gz WJLJNROZGSAICU-UHFFFAOYSA-N 1 0 363.465 2.861 20 10 FFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825435231 607481599 /nfs/dbraw/zinc/48/15/99/607481599.db2.gz QLPWFVZQIYOSBU-UHFFFAOYSA-N 1 0 366.469 2.963 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1-c1nn[nH]n1 ZINC000826202286 608287043 /nfs/dbraw/zinc/28/70/43/608287043.db2.gz UYFZLBKBYPHJHB-CYBMUJFWSA-N 1 0 352.442 2.792 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826291564 608585311 /nfs/dbraw/zinc/58/53/11/608585311.db2.gz LQTNZPYBIZSVEJ-UHFFFAOYSA-N 1 0 364.453 2.593 20 10 FFCDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000153084225 728771971 /nfs/dbraw/zinc/77/19/71/728771971.db2.gz AOAHMFJRGCEPRY-OAHLLOKOSA-N 1 0 362.495 2.886 20 10 FFCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154690181 728810000 /nfs/dbraw/zinc/81/00/00/728810000.db2.gz YCQOWDNPXSQDCK-NLFFAJNJSA-N 1 0 358.507 2.733 20 10 FFCDRO [NH3+]CCCCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000155797147 728836058 /nfs/dbraw/zinc/83/60/58/728836058.db2.gz DPMRXECOHCYFMJ-CQSZACIVSA-N 1 0 355.429 2.892 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000745812227 735445702 /nfs/dbraw/zinc/44/57/02/735445702.db2.gz ROKAIJOZHOXLJO-GOEBONIOSA-N 1 0 350.482 2.954 20 10 FFCDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090579872 728451654 /nfs/dbraw/zinc/45/16/54/728451654.db2.gz HXZLJLJNTAJAEL-CQSZACIVSA-N 1 0 367.540 2.785 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000092453966 728467446 /nfs/dbraw/zinc/46/74/46/728467446.db2.gz HUOUDUAYCWECLW-UHFFFAOYSA-N 1 0 360.479 2.597 20 10 FFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093754290 728477222 /nfs/dbraw/zinc/47/72/22/728477222.db2.gz ITEXPFIQQOCKFN-LBPRGKRZSA-N 1 0 374.275 2.648 20 10 FFCDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121207857 728622146 /nfs/dbraw/zinc/62/21/46/728622146.db2.gz XLSJDOUQQTYYPE-WBVHZDCISA-N 1 0 352.450 2.509 20 10 FFCDRO O=S(=O)(Cc1ccccc1C[NH2+]Cc1ccccc1O)N1CCCC1 ZINC000169209211 728980765 /nfs/dbraw/zinc/98/07/65/728980765.db2.gz QRQQZHRLUYLRLP-UHFFFAOYSA-N 1 0 360.479 2.608 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000177852304 729147974 /nfs/dbraw/zinc/14/79/74/729147974.db2.gz DHSGLINCCCQOIF-AWEZNQCLSA-N 1 0 354.545 2.895 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000179841763 729197203 /nfs/dbraw/zinc/19/72/03/729197203.db2.gz MBXWQWOZMLMMSH-UHFFFAOYSA-N 1 0 360.479 2.597 20 10 FFCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000180020554 729201197 /nfs/dbraw/zinc/20/11/97/729201197.db2.gz OSJPUHDXOUNKTE-MRXNPFEDSA-N 1 0 367.559 2.853 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000185322631 729346640 /nfs/dbraw/zinc/34/66/40/729346640.db2.gz FPDHNMSZAPDYFP-QWHCGFSZSA-N 1 0 364.467 2.721 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@]2(CO)C[C@@H](OCC)C2(C)C)ccc1OC ZINC000186576588 729366768 /nfs/dbraw/zinc/36/67/68/729366768.db2.gz HMWUJDDGUVWTPC-UYAOXDASSA-N 1 0 351.487 2.887 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000779022228 738430259 /nfs/dbraw/zinc/43/02/59/738430259.db2.gz PCGTXYWZYVLZOC-OLZOCXBDSA-N 1 0 357.292 2.834 20 10 FFCDRO [NH3+]C1(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000238012168 729566052 /nfs/dbraw/zinc/56/60/52/729566052.db2.gz HSOSINIGRTUHKK-ZDUSSCGKSA-N 1 0 353.413 2.645 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779024765 738430595 /nfs/dbraw/zinc/43/05/95/738430595.db2.gz QZGIXSMLMKKQMW-JSGCOSHPSA-N 1 0 357.292 2.834 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc4c(c3)CCO4)SC2=S)CC1 ZINC000255416559 729639635 /nfs/dbraw/zinc/63/96/35/729639635.db2.gz BHUSBSTUWSWLEI-LFIBNONCSA-N 1 0 360.504 2.917 20 10 FFCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858104917 730416703 /nfs/dbraw/zinc/41/67/03/730416703.db2.gz CMKPNPAXJZVUKD-OAHLLOKOSA-N 1 0 352.228 2.987 20 10 FFCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2c(O)cccc2Br)C1(C)C ZINC000858158288 730418181 /nfs/dbraw/zinc/41/81/81/730418181.db2.gz DPSUXIKRFBLZGK-ZBFHGGJFSA-N 1 0 358.276 2.810 20 10 FFCDRO CN(C)c1cc(F)c(CN2CC[NH+](CC3CCOCC3)CC2)cc1F ZINC000862243058 730680737 /nfs/dbraw/zinc/68/07/37/730680737.db2.gz BIBAJHROPAMHHM-UHFFFAOYSA-N 1 0 353.457 2.575 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000862253780 730682673 /nfs/dbraw/zinc/68/26/73/730682673.db2.gz SJRMTMNYWDAFBW-LBPRGKRZSA-N 1 0 351.248 2.658 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)[nH]1 ZINC000862254080 730682728 /nfs/dbraw/zinc/68/27/28/730682728.db2.gz VPYLRKKFOYDSFO-LLVKDONJSA-N 1 0 351.248 2.961 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000862385022 730695280 /nfs/dbraw/zinc/69/52/80/730695280.db2.gz NUPHIGMQBACICD-LALPHHSUSA-N 1 0 356.260 2.517 20 10 FFCDRO C[NH+](C)CCC[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000862418304 730699686 /nfs/dbraw/zinc/69/96/86/730699686.db2.gz MNXMCUQIJALTEP-CYBMUJFWSA-N 1 0 357.292 2.697 20 10 FFCDRO Cc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000647147079 730720377 /nfs/dbraw/zinc/72/03/77/730720377.db2.gz JTKJJLHBRCRIBR-AWEZNQCLSA-N 1 0 354.435 2.686 20 10 FFCDRO C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000863548058 730790097 /nfs/dbraw/zinc/79/00/97/730790097.db2.gz ULGVKJPBQTUORN-VIFPVBQESA-N 1 0 351.672 2.824 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000768840332 737465298 /nfs/dbraw/zinc/46/52/98/737465298.db2.gz BZSPNMCVCPVLEO-LLVKDONJSA-N 1 0 370.243 2.697 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865683948 730985480 /nfs/dbraw/zinc/98/54/80/730985480.db2.gz ZZTAUAULEZNHAV-LLVKDONJSA-N 1 0 365.153 2.639 20 10 FFCDRO CC[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1O ZINC000866631829 731081774 /nfs/dbraw/zinc/08/17/74/731081774.db2.gz SCDCNJMCXGBFSU-GFCCVEGCSA-N 1 0 371.222 2.971 20 10 FFCDRO C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cc1O ZINC000925792024 738530171 /nfs/dbraw/zinc/53/01/71/738530171.db2.gz NUGOQQLHYVODSD-TZMCWYRMSA-N 1 0 369.303 2.964 20 10 FFCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000877030230 732315080 /nfs/dbraw/zinc/31/50/80/732315080.db2.gz CDPRXGSSFXBASO-UHFFFAOYSA-N 1 0 358.507 2.562 20 10 FFCDRO CO[C@@]1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000877071959 732321479 /nfs/dbraw/zinc/32/14/79/732321479.db2.gz VUJKRSNOQSRDFJ-RDTXWAMCSA-N 1 0 356.413 2.652 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)C1 ZINC000877146853 732328590 /nfs/dbraw/zinc/32/85/90/732328590.db2.gz WDTASVATMJUUKX-UONOGXRCSA-N 1 0 356.297 2.672 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927146420 738696298 /nfs/dbraw/zinc/69/62/98/738696298.db2.gz NTHOQTYIDGSIIA-YPMHNXCESA-N 1 0 365.275 2.881 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1ccc(Br)cc1O ZINC000927156838 738698148 /nfs/dbraw/zinc/69/81/48/738698148.db2.gz RYQDZBJYWCNNSX-VQISRLSMSA-N 1 0 356.260 2.735 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366367 733374294 /nfs/dbraw/zinc/37/42/94/733374294.db2.gz RVKMAWCRPPPWAA-SECBINFHSA-N 1 0 364.108 2.803 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1F ZINC000782572885 738735307 /nfs/dbraw/zinc/73/53/07/738735307.db2.gz DSFKMROQPKTBBY-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000782777056 738754574 /nfs/dbraw/zinc/75/45/74/738754574.db2.gz HOUNWDVQFAZFSZ-IFXJQAMLSA-N 1 0 368.905 2.615 20 10 FFCDRO Cc1sc(-c2ccc(N(C)C)cc2)nc1-c1cn(CC2C[NH2+]C2)nn1 ZINC000887378503 733917080 /nfs/dbraw/zinc/91/70/80/733917080.db2.gz HTXXZSZXHNRIIY-UHFFFAOYSA-N 1 0 354.483 2.662 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCC(F)(F)F)cc2)CC1 ZINC000889665442 734206197 /nfs/dbraw/zinc/20/61/97/734206197.db2.gz OOKXYJFDOHAMGW-UHFFFAOYSA-N 1 0 358.408 2.580 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2CC3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC000891248579 734404607 /nfs/dbraw/zinc/40/46/07/734404607.db2.gz ZEOMMDWYWKTGFJ-BFHRDPOASA-N 1 0 351.441 2.907 20 10 FFCDRO CNc1snc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251618 734405128 /nfs/dbraw/zinc/40/51/28/734405128.db2.gz CIGVABZYFGJYJD-HNNXBMFYSA-N 1 0 361.515 2.592 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2CCSCC2)[NH+](C)C)cc1 ZINC000892588012 734577073 /nfs/dbraw/zinc/57/70/73/734577073.db2.gz BHALKXJWXKXEPY-KRWDZBQOSA-N 1 0 350.532 2.550 20 10 FFCDRO Cc1ncsc1/C=C/C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608165 734726077 /nfs/dbraw/zinc/72/60/77/734726077.db2.gz QFUBHJMQSIIDSA-BQYQJAHWSA-N 1 0 356.495 2.533 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)CC1 ZINC000733330920 734809408 /nfs/dbraw/zinc/80/94/08/734809408.db2.gz SGBDKAQJDSJOQN-UHFFFAOYSA-N 1 0 370.927 2.926 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330831 734809549 /nfs/dbraw/zinc/80/95/49/734809549.db2.gz PIXWLLCLAPJHBU-UHFFFAOYSA-N 1 0 358.507 2.828 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCO[C@@H]2CCCCO2)c1O ZINC000894797977 734918868 /nfs/dbraw/zinc/91/88/68/734918868.db2.gz BLMRRPORDALUDA-CQSZACIVSA-N 1 0 360.248 2.796 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000895718997 735047361 /nfs/dbraw/zinc/04/73/61/735047361.db2.gz KTXZZEDQKRNWRL-GUYCJALGSA-N 1 0 361.515 2.872 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722465 735047902 /nfs/dbraw/zinc/04/79/02/735047902.db2.gz WGPHXXCXTKIJHS-CQSZACIVSA-N 1 0 356.260 2.518 20 10 FFCDRO COCCC[NH+]1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896097497 735101169 /nfs/dbraw/zinc/10/11/69/735101169.db2.gz RGTZLLZESOGGTH-UHFFFAOYSA-N 1 0 364.467 2.543 20 10 FFCDRO C[C@@]1(C2CC[NH+](Cc3c(O)cccc3Br)CC2)COC(=O)N1 ZINC000896471342 735166792 /nfs/dbraw/zinc/16/67/92/735166792.db2.gz HYWWIPYLKAILRH-INIZCTEOSA-N 1 0 369.259 2.865 20 10 FFCDRO O=C1NCCC2(CC[NH+](Cc3cc(Br)ccc3O)CC2)O1 ZINC000897020090 735192300 /nfs/dbraw/zinc/19/23/00/735192300.db2.gz XHFDJTMGJROSLT-UHFFFAOYSA-N 1 0 355.232 2.619 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000897025552 735192375 /nfs/dbraw/zinc/19/23/75/735192375.db2.gz WFCJHZCWPZGPNL-CQSZACIVSA-N 1 0 369.259 2.784 20 10 FFCDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CCCO1 ZINC000897570721 735249484 /nfs/dbraw/zinc/24/94/84/735249484.db2.gz AGZUQRVZZIQGCS-LBPRGKRZSA-N 1 0 364.467 2.543 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1O ZINC000787426601 739135778 /nfs/dbraw/zinc/13/57/78/739135778.db2.gz OZYYSLIHLGAQAX-UHFFFAOYSA-N 1 0 361.872 2.809 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCCNc2ncccn2)c1O ZINC000751506226 735888252 /nfs/dbraw/zinc/88/82/52/735888252.db2.gz KHBINHSUWVOIES-UHFFFAOYSA-N 1 0 367.247 2.545 20 10 FFCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000754121203 736128347 /nfs/dbraw/zinc/12/83/47/736128347.db2.gz KWKIWMOJHCVXLD-WMZOPIPTSA-N 1 0 368.568 2.541 20 10 FFCDRO COC1CCN(CC[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000756640372 736349160 /nfs/dbraw/zinc/34/91/60/736349160.db2.gz AGYFHQKNFXHVCV-LBPRGKRZSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000756993670 736381512 /nfs/dbraw/zinc/38/15/12/736381512.db2.gz DVORFSFVFNRGFX-VIFPVBQESA-N 1 0 358.154 2.566 20 10 FFCDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000757958077 736439965 /nfs/dbraw/zinc/43/99/65/736439965.db2.gz RQYKUTHWECHSIB-UHFFFAOYSA-N 1 0 370.814 2.517 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762616072 736845480 /nfs/dbraw/zinc/84/54/80/736845480.db2.gz PUPRVRFLYIEVIM-KZNAEPCWSA-N 1 0 350.553 2.992 20 10 FFCDRO O=C(NCCCSc1nccs1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000765533555 737130567 /nfs/dbraw/zinc/13/05/67/737130567.db2.gz HHDUWLVHYUPFEV-AWEZNQCLSA-N 1 0 354.545 2.941 20 10 FFCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766214377 737208941 /nfs/dbraw/zinc/20/89/41/737208941.db2.gz NVFRCYUTEPFLMB-YJBOKZPZSA-N 1 0 350.528 2.836 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000912109623 737266146 /nfs/dbraw/zinc/26/61/46/737266146.db2.gz IJECOVCLBHEOGQ-HNNXBMFYSA-N 1 0 357.420 2.985 20 10 FFCDRO C[N@H+](Cc1ccc(Br)o1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441157 737423003 /nfs/dbraw/zinc/42/30/03/737423003.db2.gz WKEJIORXWVOSIC-ZDUSSCGKSA-N 1 0 354.200 2.806 20 10 FFCDRO CO[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416595 737724809 /nfs/dbraw/zinc/72/48/09/737724809.db2.gz IIIFDQKQMPPGAL-WBVHZDCISA-N 1 0 354.878 2.797 20 10 FFCDRO Cc1csc([C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000918852464 737829547 /nfs/dbraw/zinc/82/95/47/737829547.db2.gz OOSNEXWXBNTGLD-OAHLLOKOSA-N 1 0 358.511 2.623 20 10 FFCDRO COc1c(O)c(C[N@H+](C)CCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774820677 738029924 /nfs/dbraw/zinc/02/99/24/738029924.db2.gz FJJGNMFNKQRYKQ-UHFFFAOYSA-N 1 0 350.346 2.959 20 10 FFCDRO CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000775501092 738097931 /nfs/dbraw/zinc/09/79/31/738097931.db2.gz ZMRNLGNPBQREIZ-OAHLLOKOSA-N 1 0 360.907 2.758 20 10 FFCDRO CC[N@H+](CCNC(=O)NCc1c(O)cccc1F)CCC(F)(F)F ZINC000922187612 738102718 /nfs/dbraw/zinc/10/27/18/738102718.db2.gz KONYQTRFQQVDFR-UHFFFAOYSA-N 1 0 351.344 2.605 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)[C@@H](CC)CN1C(C)=O ZINC000775721338 738117436 /nfs/dbraw/zinc/11/74/36/738117436.db2.gz WEKZQYDUMKDAOA-JKSUJKDBSA-N 1 0 350.459 2.631 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775836990 738130363 /nfs/dbraw/zinc/13/03/63/738130363.db2.gz PWYFILYRYBHQQQ-OAHLLOKOSA-N 1 0 361.511 2.854 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)cc1C ZINC000922453229 738147949 /nfs/dbraw/zinc/14/79/49/738147949.db2.gz ZOJILPBDPUZMDA-UHFFFAOYSA-N 1 0 362.495 2.690 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1 ZINC000776936049 738246768 /nfs/dbraw/zinc/24/67/68/738246768.db2.gz FZNVHYZDMWWPHI-OAHLLOKOSA-N 1 0 362.857 2.878 20 10 FFCDRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000777439292 738289555 /nfs/dbraw/zinc/28/95/55/738289555.db2.gz CMZJLHZBTOPKHW-UHFFFAOYSA-N 1 0 358.232 2.739 20 10 FFCDRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000789362700 739342539 /nfs/dbraw/zinc/34/25/39/739342539.db2.gz QQRNDTUHYCQJLV-QGZVFWFLSA-N 1 0 368.543 2.779 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cnn(C)c2Cl)[NH+](C)C)cc1 ZINC000932389411 739443752 /nfs/dbraw/zinc/44/37/52/739443752.db2.gz POMRYPNIJMODAW-OAHLLOKOSA-N 1 0 364.881 2.564 20 10 FFCDRO COCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792942761 739721014 /nfs/dbraw/zinc/72/10/14/739721014.db2.gz OOELTEDDFFMFMR-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO C[C@H]([C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N1CCOCC1 ZINC000792976852 739725497 /nfs/dbraw/zinc/72/54/97/739725497.db2.gz SCETVBLOHLCOLI-UONOGXRCSA-N 1 0 359.436 2.970 20 10 FFCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1 ZINC000793588286 739796561 /nfs/dbraw/zinc/79/65/61/739796561.db2.gz IPINGQNJHFIRPX-KBPBESRZSA-N 1 0 359.436 2.658 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)c1O ZINC000794716182 739923365 /nfs/dbraw/zinc/92/33/65/739923365.db2.gz BWGPNEDGOLSAPM-GTNSWQLSSA-N 1 0 360.841 2.995 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)cc1C ZINC000801735927 740646971 /nfs/dbraw/zinc/64/69/71/740646971.db2.gz ZNFPPETXLSJPKH-MRXNPFEDSA-N 1 0 362.495 2.856 20 10 FFCDRO C[C@H](NC(=O)NCc1cc(Br)ccc1O)C(C)(C)C[NH+](C)C ZINC000805191811 740949004 /nfs/dbraw/zinc/94/90/04/740949004.db2.gz RGNRGZNCPCBFMJ-NSHDSACASA-N 1 0 372.307 2.930 20 10 FFCDRO CN(Cc1ncc(C2OCCO2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000809640029 741325635 /nfs/dbraw/zinc/32/56/35/741325635.db2.gz SHIVWDRWURGUON-UHFFFAOYSA-N 1 0 363.483 2.765 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc(C)c2O)CC1 ZINC000809783903 741343375 /nfs/dbraw/zinc/34/33/75/741343375.db2.gz AMENXBQHJUEJQD-OAHLLOKOSA-N 1 0 354.516 2.583 20 10 FFCDRO Cn1cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c(C(F)F)n1 ZINC000812219847 741597516 /nfs/dbraw/zinc/59/75/16/741597516.db2.gz QQZYDMMSLZBXJO-YRNVUSSQSA-N 1 0 372.466 2.653 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)c1O ZINC000813788460 741764202 /nfs/dbraw/zinc/76/42/02/741764202.db2.gz LZZNPDAJXXUHNW-KBPBESRZSA-N 1 0 354.422 2.838 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000816822191 742064050 /nfs/dbraw/zinc/06/40/50/742064050.db2.gz CETNUGWLHXBTIW-IBGZPJMESA-N 1 0 361.555 2.929 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1O ZINC000817420331 742141223 /nfs/dbraw/zinc/14/12/23/742141223.db2.gz RTBICOHNICEICR-NSHDSACASA-N 1 0 374.275 2.837 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1O ZINC000817420330 742141375 /nfs/dbraw/zinc/14/13/75/742141375.db2.gz RTBICOHNICEICR-LLVKDONJSA-N 1 0 374.275 2.837 20 10 FFCDRO COC[C@@]1(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CCC[NH2+]1 ZINC000817973643 742225217 /nfs/dbraw/zinc/22/52/17/742225217.db2.gz FTZBTMYQWZCGFX-BEFAXECRSA-N 1 0 367.921 2.596 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000817973307 742225405 /nfs/dbraw/zinc/22/54/05/742225405.db2.gz TVXLKRXVICOVON-UONOGXRCSA-N 1 0 365.827 2.922 20 10 FFCDRO CS[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000821893104 742676304 /nfs/dbraw/zinc/67/63/04/742676304.db2.gz CUGNZSPSQPOZPO-HUUCEWRRSA-N 1 0 361.471 2.501 20 10 FFCDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000822494461 742743033 /nfs/dbraw/zinc/74/30/33/742743033.db2.gz PIKCXFRAJQWFTF-UHFFFAOYSA-N 1 0 363.479 2.886 20 10 FFCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000823850825 742990211 /nfs/dbraw/zinc/99/02/11/742990211.db2.gz FEPFMVQNYZYLEY-GJYPPUQNSA-N 1 0 350.528 2.836 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccc(Br)cc2O)CC1)N1CCCC1 ZINC000824542018 743101800 /nfs/dbraw/zinc/10/18/00/743101800.db2.gz NONQCEMKEBDPSI-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000824739317 743140150 /nfs/dbraw/zinc/14/01/50/743140150.db2.gz YCZPYRYXXBHBGK-UHFFFAOYSA-N 1 0 368.886 2.894 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000825352586 743255060 /nfs/dbraw/zinc/25/50/60/743255060.db2.gz HFBFGAPHIMNAGJ-CQSZACIVSA-N 1 0 356.260 2.973 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]1n1cccn1 ZINC000826024109 743357199 /nfs/dbraw/zinc/35/71/99/743357199.db2.gz RHTUXUWCMBYODV-NUEKZKHPSA-N 1 0 366.259 2.860 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000827205192 743532851 /nfs/dbraw/zinc/53/28/51/743532851.db2.gz IBZBHRHRFRZUIL-CVEARBPZSA-N 1 0 356.495 2.673 20 10 FFCDRO C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C[NH+]1CCCC1 ZINC000827365082 743563665 /nfs/dbraw/zinc/56/36/65/743563665.db2.gz ORURFJSQRDQQFQ-AWEZNQCLSA-N 1 0 358.511 2.778 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544859 743598549 /nfs/dbraw/zinc/59/85/49/743598549.db2.gz MNYXONVDNZXWFV-CQSZACIVSA-N 1 0 370.291 2.651 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000827785720 744977390 /nfs/dbraw/zinc/97/73/90/744977390.db2.gz DNFYHYBJNHBPAH-QGZVFWFLSA-N 1 0 357.420 2.592 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000829236011 745181693 /nfs/dbraw/zinc/18/16/93/745181693.db2.gz GBOSKKNTKPNAHL-INIZCTEOSA-N 1 0 358.511 2.920 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000829296682 745189803 /nfs/dbraw/zinc/18/98/03/745189803.db2.gz LWWTYTHEJVCKCQ-INIZCTEOSA-N 1 0 351.441 2.880 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000830106130 745307973 /nfs/dbraw/zinc/30/79/73/745307973.db2.gz SCEGFMIOONGVQV-GFCCVEGCSA-N 1 0 352.818 2.522 20 10 FFCDRO Cc1c(Cl)cccc1OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273459 745669686 /nfs/dbraw/zinc/66/96/86/745669686.db2.gz ODODQRAXWOAPIW-QGZVFWFLSA-N 1 0 361.873 2.909 20 10 FFCDRO Cc1c(Cl)cccc1OCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273458 745669740 /nfs/dbraw/zinc/66/97/40/745669740.db2.gz ODODQRAXWOAPIW-KRWDZBQOSA-N 1 0 361.873 2.909 20 10 FFCDRO COc1ccc(Cl)cc1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292805 745673669 /nfs/dbraw/zinc/67/36/69/745673669.db2.gz MZMUDCLAOXYCGS-QGZVFWFLSA-N 1 0 361.873 2.773 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000832505421 745709517 /nfs/dbraw/zinc/70/95/17/745709517.db2.gz IBAMNIMRMYEHGB-FQEVSTJZSA-N 1 0 361.555 2.930 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000834316445 745817281 /nfs/dbraw/zinc/81/72/81/745817281.db2.gz HAADSNSJOWNPQJ-FZKQIMNGSA-N 1 0 361.873 2.936 20 10 FFCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838784819 746712536 /nfs/dbraw/zinc/71/25/36/746712536.db2.gz UYDYCZGXIMQQIU-CQSZACIVSA-N 1 0 366.303 2.747 20 10 FFCDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000839185406 746797702 /nfs/dbraw/zinc/79/77/02/746797702.db2.gz UKNGCICSYGPKGO-AWEZNQCLSA-N 1 0 351.830 2.929 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839683231 746893096 /nfs/dbraw/zinc/89/30/96/746893096.db2.gz MEAMHFUNTNFGBR-IBGZPJMESA-N 1 0 361.555 2.895 20 10 FFCDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840757443 747174521 /nfs/dbraw/zinc/17/45/21/747174521.db2.gz KICHUZQLVVBZIY-SJORKVTESA-N 1 0 352.425 2.849 20 10 FFCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1O ZINC000840780849 747182083 /nfs/dbraw/zinc/18/20/83/747182083.db2.gz ONHMRFDKQVSYGQ-CQSZACIVSA-N 1 0 354.878 2.578 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c(Cl)c1 ZINC000840886479 747212596 /nfs/dbraw/zinc/21/25/96/747212596.db2.gz XINSGFXQFDGDPR-UHFFFAOYSA-N 1 0 368.886 2.563 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(Cl)c1 ZINC000840906720 747220263 /nfs/dbraw/zinc/22/02/63/747220263.db2.gz LNMMCSHEPZZCKE-UHFFFAOYSA-N 1 0 351.855 2.974 20 10 FFCDRO CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841030512 747259094 /nfs/dbraw/zinc/25/90/94/747259094.db2.gz MCJKKRIRTHXKPN-NSHDSACASA-N 1 0 366.097 2.990 20 10 FFCDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707284 747437614 /nfs/dbraw/zinc/43/76/14/747437614.db2.gz PAIFGPLCTCJPNF-SJLPKXTDSA-N 1 0 362.543 2.557 20 10 FFCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707657 747437642 /nfs/dbraw/zinc/43/76/42/747437642.db2.gz WYRNDCPJVSTSFC-WBVHZDCISA-N 1 0 362.543 2.509 20 10 FFCDRO CCn1nncc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841864131 747478757 /nfs/dbraw/zinc/47/87/57/747478757.db2.gz GPNOLAQWFWZUCZ-CYBMUJFWSA-N 1 0 351.401 2.658 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1=CC[NH2+]CC1 ZINC000841972207 747494642 /nfs/dbraw/zinc/49/46/42/747494642.db2.gz XJPOSSBPDMYNCA-UHFFFAOYSA-N 1 0 368.275 2.606 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841977931 747495308 /nfs/dbraw/zinc/49/53/08/747495308.db2.gz QASZKJIKRABOSD-FZMZJTMJSA-N 1 0 370.291 2.684 20 10 FFCDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000841993840 747498407 /nfs/dbraw/zinc/49/84/07/747498407.db2.gz BIIFGYXCXBFQMP-HAQNSBGRSA-N 1 0 370.291 2.719 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000842784120 747686524 /nfs/dbraw/zinc/68/65/24/747686524.db2.gz GSOSOOFLTQVWKC-OAHLLOKOSA-N 1 0 371.865 2.523 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000842784540 747687282 /nfs/dbraw/zinc/68/72/82/747687282.db2.gz ILCLQUAOAMEAQG-OAHLLOKOSA-N 1 0 371.865 2.523 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000842918755 747720734 /nfs/dbraw/zinc/72/07/34/747720734.db2.gz IOGLATLHVNDFKM-BZNIZROVSA-N 1 0 358.276 2.983 20 10 FFCDRO CC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843333548 747813974 /nfs/dbraw/zinc/81/39/74/747813974.db2.gz WDJZVMVUUZDUGD-UHFFFAOYSA-N 1 0 365.275 2.591 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc2nsnc21 ZINC000843349515 747815464 /nfs/dbraw/zinc/81/54/64/747815464.db2.gz BVYBFINQUSFDHI-UHFFFAOYSA-N 1 0 353.451 2.541 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c(C)n1-c1ccc(F)cc1 ZINC000843485191 747843385 /nfs/dbraw/zinc/84/33/85/747843385.db2.gz SZRYMIPFJFWAAW-MRXNPFEDSA-N 1 0 351.372 2.960 20 10 FFCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000843489084 747844683 /nfs/dbraw/zinc/84/46/83/747844683.db2.gz DJKDHJFQDQUNHK-AWEZNQCLSA-N 1 0 370.877 2.571 20 10 FFCDRO Cc1ccc(C(=O)CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000844163303 747982384 /nfs/dbraw/zinc/98/23/84/747982384.db2.gz YINMWKLFORQFQB-INIZCTEOSA-N 1 0 359.495 2.902 20 10 FFCDRO CC[NH+]1CCC(N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000844168497 747983183 /nfs/dbraw/zinc/98/31/83/747983183.db2.gz DMSBWZCSTMDRQU-UHFFFAOYSA-N 1 0 358.511 2.872 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)c1 ZINC000846071485 748396157 /nfs/dbraw/zinc/39/61/57/748396157.db2.gz HYTIBDWBNJNLLP-GFCCVEGCSA-N 1 0 355.404 2.872 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000846170777 748419356 /nfs/dbraw/zinc/41/93/56/748419356.db2.gz ZTAPDXCGWWMPBC-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC(CO)([NH2+]C(C)C)CC2)c1O ZINC000846946253 748582658 /nfs/dbraw/zinc/58/26/58/748582658.db2.gz SCISMUWFNMMQRH-UHFFFAOYSA-N 1 0 354.878 2.573 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCNC(=O)C(C)C)c1O ZINC000848513884 748947487 /nfs/dbraw/zinc/94/74/87/748947487.db2.gz HZBOPHAGZXQPPA-JTQLQIEISA-N 1 0 359.264 2.586 20 10 FFCDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848553205 748958746 /nfs/dbraw/zinc/95/87/46/748958746.db2.gz IPMFDIQTUGHBKY-MEBBXXQBSA-N 1 0 362.264 2.601 20 10 FFCDRO C[C@H]1CCCN(C(=[NH2+])NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000849115900 749057108 /nfs/dbraw/zinc/05/71/08/749057108.db2.gz DPVKBPSTQWBVPE-ZDUSSCGKSA-N 1 0 352.429 2.558 20 10 FFCDRO COc1cc(C[NH2+][C@H](CCO)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850246587 749327950 /nfs/dbraw/zinc/32/79/50/749327950.db2.gz HCOIARAWYFXURM-GOSISDBHSA-N 1 0 351.487 2.966 20 10 FFCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356363 749351439 /nfs/dbraw/zinc/35/14/39/749351439.db2.gz RPLBZBHVWQGQFN-WMZOPIPTSA-N 1 0 350.528 2.837 20 10 FFCDRO C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000850439492 749365207 /nfs/dbraw/zinc/36/52/07/749365207.db2.gz PBAIOCDPBGDGDZ-UONOGXRCSA-N 1 0 351.401 2.527 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C(F)F ZINC000850435204 749365247 /nfs/dbraw/zinc/36/52/47/749365247.db2.gz JVEXNYQYSPKCQL-CYBMUJFWSA-N 1 0 360.470 2.691 20 10 FFCDRO CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231473 750265713 /nfs/dbraw/zinc/26/57/13/750265713.db2.gz DRRQYXAKEXVLPT-GFCCVEGCSA-N 1 0 357.241 2.894 20 10 FFCDRO CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014265091 845027625 /nfs/dbraw/zinc/02/76/25/845027625.db2.gz MTDICZANAXUGTA-OAHLLOKOSA-N 1 0 363.479 2.953 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000397439487 845867763 /nfs/dbraw/zinc/86/77/63/845867763.db2.gz QSTBAPAUXADVTK-CABCVRRESA-N 1 0 350.459 2.987 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000840256003 970858965 /nfs/dbraw/zinc/85/89/65/970858965.db2.gz OLUCYTCEMXEVMR-IAGOWNOFSA-N 1 0 358.530 2.776 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ncccn3)C[C@H]2C)cc1C ZINC001104823694 970928798 /nfs/dbraw/zinc/92/87/98/970928798.db2.gz ZHBLEJMVUMDDFJ-SJLPKXTDSA-N 1 0 368.481 2.682 20 10 FFCDRO COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c(O)c1OC ZINC000893205365 970954013 /nfs/dbraw/zinc/95/40/13/970954013.db2.gz JCYPKSANMDVLSQ-MRXNPFEDSA-N 1 0 372.469 2.557 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275836765 1013055801 /nfs/dbraw/zinc/05/58/01/1013055801.db2.gz GLHFERDXAXEHOB-KUHUBIRLSA-N 1 0 366.889 2.895 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)N1Cc1ncccn1 ZINC001275837839 1013061904 /nfs/dbraw/zinc/06/19/04/1013061904.db2.gz OBEKBQHOZYLYBA-HZPDHXFCSA-N 1 0 372.856 2.601 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185250569 971261301 /nfs/dbraw/zinc/26/13/01/971261301.db2.gz PLJOFURVVNVAEE-MRXNPFEDSA-N 1 0 371.456 2.921 20 10 FFCDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000840512518 971434986 /nfs/dbraw/zinc/43/49/86/971434986.db2.gz HQYDFFKSWFFVAI-UITAMQMPSA-N 1 0 372.421 2.699 20 10 FFCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000896491989 971510489 /nfs/dbraw/zinc/51/04/89/971510489.db2.gz HXLGHLMMKYWFCD-QGZVFWFLSA-N 1 0 358.461 2.775 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c(C)n1-c1cccc(C)c1 ZINC000189432679 971585289 /nfs/dbraw/zinc/58/52/89/971585289.db2.gz DXQSBHXYNFBEFW-UHFFFAOYSA-N 1 0 355.482 2.855 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001026962825 972201722 /nfs/dbraw/zinc/20/17/22/972201722.db2.gz VSUDOGUDLYFQLT-VNYTWHDVSA-N 1 0 372.509 2.757 20 10 FFCDRO Cc1ncsc1CN1CC2(C1)CCC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001279142459 972507076 /nfs/dbraw/zinc/50/70/76/972507076.db2.gz UPMXBXSVQILSPM-UHFFFAOYSA-N 1 0 359.495 2.961 20 10 FFCDRO CCOCCN1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1=O ZINC001275950851 1013223652 /nfs/dbraw/zinc/22/36/52/1013223652.db2.gz ALQPWDMSMJINCT-OAQYLSRUSA-N 1 0 359.514 2.522 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@](C)(C[NH3+])C2)CCCC1 ZINC000653137929 962172880 /nfs/dbraw/zinc/17/28/80/962172880.db2.gz ZHIABUYBMIXAAS-NRFANRHFSA-N 1 0 355.482 2.726 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C(F)F)ncn2)[NH+](C)C)cc1 ZINC000891241435 962528158 /nfs/dbraw/zinc/52/81/58/962528158.db2.gz AJWGSHMSFLIDTH-INIZCTEOSA-N 1 0 363.412 2.513 20 10 FFCDRO CCn1nc(C2CC2)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242417 962531098 /nfs/dbraw/zinc/53/10/98/962531098.db2.gz GFBGKQYLWHTYHP-FQEVSTJZSA-N 1 0 369.513 2.879 20 10 FFCDRO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccc(O)c1 ZINC000891246091 962564114 /nfs/dbraw/zinc/56/41/14/962564114.db2.gz MBHZFTJWEYSDNO-MGPUTAFESA-N 1 0 355.482 2.981 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2F)[NH+](C)C)cc1 ZINC000891247103 962567733 /nfs/dbraw/zinc/56/77/33/962567733.db2.gz DXCILPNXVZYEGL-OAHLLOKOSA-N 1 0 363.408 2.769 20 10 FFCDRO Cc1cncc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891246984 962569641 /nfs/dbraw/zinc/56/96/41/962569641.db2.gz GFPALSBZNBNADX-FQEVSTJZSA-N 1 0 354.498 2.808 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3cccc(O)c32)[NH+](C)C)cc1 ZINC000891246915 962575154 /nfs/dbraw/zinc/57/51/54/962575154.db2.gz FIOKJCSZSGRPHM-MOPGFXCFSA-N 1 0 367.493 2.907 20 10 FFCDRO CCc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000891246954 962575661 /nfs/dbraw/zinc/57/56/61/962575661.db2.gz FRJGDQBEVRBWMR-FQEVSTJZSA-N 1 0 354.498 2.672 20 10 FFCDRO Cc1ccc(/C=C\C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891249723 962585984 /nfs/dbraw/zinc/58/59/84/962585984.db2.gz VYXSERWNMGMQMV-LOJRPPCJSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3n[nH]cc3c2)[NH+](C)C)cc1 ZINC000891248682 962588427 /nfs/dbraw/zinc/58/84/27/962588427.db2.gz MWNBUNPTTBDNCK-FQEVSTJZSA-N 1 0 365.481 2.591 20 10 FFCDRO CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177238 1013358974 /nfs/dbraw/zinc/35/89/74/1013358974.db2.gz HYHQSPBYFOBOGB-IKGGRYGDSA-N 1 0 373.457 2.609 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1Cn1cccn1 ZINC000873099951 1013385105 /nfs/dbraw/zinc/38/51/05/1013385105.db2.gz HJJFWUZXEMQKIF-SFHVURJKSA-N 1 0 357.454 2.715 20 10 FFCDRO O=C1N(CC2CCOCC2)CC[C@]12CCC[N@H+]2Cc1cc(F)ccc1O ZINC001276064592 1013386898 /nfs/dbraw/zinc/38/68/98/1013386898.db2.gz UTGRBPPMEGVZIR-HXUWFJFHSA-N 1 0 362.445 2.525 20 10 FFCDRO COc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1Cn1cccn1 ZINC000873138206 1013396742 /nfs/dbraw/zinc/39/67/42/1013396742.db2.gz CVBVIJDSKYTORP-OAQYLSRUSA-N 1 0 373.497 2.597 20 10 FFCDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160661689 963265089 /nfs/dbraw/zinc/26/50/89/963265089.db2.gz JQXZGPFDIIVGSQ-RTBURBONSA-N 1 0 373.497 2.567 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3N3CCOCC3)cc2)CC1 ZINC001167436933 963265485 /nfs/dbraw/zinc/26/54/85/963265485.db2.gz HRUGAPVIOJRIRB-UHFFFAOYSA-N 1 0 366.509 2.887 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000891533056 964433777 /nfs/dbraw/zinc/43/37/77/964433777.db2.gz QSLHFFWGMPGTJY-VQTJNVASSA-N 1 0 356.514 2.959 20 10 FFCDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000891588825 964520260 /nfs/dbraw/zinc/52/02/60/964520260.db2.gz HWRVKEOZYKDBIU-OAQYLSRUSA-N 1 0 356.514 2.969 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C[C@H]3CCOC3)cc2)CC1 ZINC000933664928 965049248 /nfs/dbraw/zinc/04/92/48/965049248.db2.gz HWTHZZRARYHETQ-TZIWHRDSSA-N 1 0 374.525 2.929 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1O ZINC000894473243 965395362 /nfs/dbraw/zinc/39/53/62/965395362.db2.gz OTERRGBVVBTJIN-KRWDZBQOSA-N 1 0 357.450 2.667 20 10 FFCDRO COc1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c(O)c1OC ZINC000894568752 965490697 /nfs/dbraw/zinc/49/06/97/965490697.db2.gz AQQLJBKLNNYHDG-KRWDZBQOSA-N 1 0 358.438 2.588 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccc[nH]3)cc2F)CC1 ZINC000588548536 966994923 /nfs/dbraw/zinc/99/49/23/966994923.db2.gz DTIAWHBXGRUBTP-VURMDHGXSA-N 1 0 356.445 2.625 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000892346425 967627846 /nfs/dbraw/zinc/62/78/46/967627846.db2.gz QYHKQIBSWMIKAH-CYBMUJFWSA-N 1 0 355.438 2.607 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000892400520 968269441 /nfs/dbraw/zinc/26/94/41/968269441.db2.gz SRLXIOAYHWRDFL-GOEBONIOSA-N 1 0 357.454 2.721 20 10 FFCDRO CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000066155432 969284201 /nfs/dbraw/zinc/28/42/01/969284201.db2.gz WPOCAEDZNWBELI-UHFFFAOYSA-N 1 0 369.513 2.501 20 10 FFCDRO COc1ccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c(O)c1OC ZINC000892778166 970287011 /nfs/dbraw/zinc/28/70/11/970287011.db2.gz CKIKCKWCOHPIRX-UHFFFAOYSA-N 1 0 353.422 2.927 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000893032401 970519882 /nfs/dbraw/zinc/51/98/82/970519882.db2.gz MVIKEKAEZVGOMB-AWEZNQCLSA-N 1 0 366.458 2.802 20 10 FFCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000895452227 970634279 /nfs/dbraw/zinc/63/42/79/970634279.db2.gz YNMNKKHBWUVHOV-UHFFFAOYSA-N 1 0 360.454 2.556 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1O ZINC000895462524 970646613 /nfs/dbraw/zinc/64/66/13/970646613.db2.gz XYNAWKARMDXQQG-UHFFFAOYSA-N 1 0 355.438 2.524 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000876038960 1014115821 /nfs/dbraw/zinc/11/58/21/1014115821.db2.gz VGWPWCCRGSDNGT-UHFFFAOYSA-N 1 0 372.494 2.682 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)C[C@H](O)c1ccccc1O3)OCO2 ZINC000897268439 973736064 /nfs/dbraw/zinc/73/60/64/973736064.db2.gz ZYTGOTBJSUDXDG-KRWDZBQOSA-N 1 0 369.417 2.972 20 10 FFCDRO O=C(c1cc([O-])[nH]c(=O)c1)N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001271801559 974351077 /nfs/dbraw/zinc/35/10/77/974351077.db2.gz KUQRFOWNOYVZTA-FQEVSTJZSA-N 1 0 359.470 2.754 20 10 FFCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCc2ccccc21 ZINC000066906116 974773199 /nfs/dbraw/zinc/77/31/99/974773199.db2.gz ATUWACSPEIAWAN-JOCHJYFZSA-N 1 0 370.468 2.976 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCCC1 ZINC000653134177 1014235354 /nfs/dbraw/zinc/23/53/54/1014235354.db2.gz QBEPMDODSHIIGS-BEFAXECRSA-N 1 0 367.493 2.739 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000653136130 1014235314 /nfs/dbraw/zinc/23/53/14/1014235314.db2.gz AIDYIYQJJKYUNT-HUUCEWRRSA-N 1 0 355.482 2.785 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)CCCC1 ZINC000652557038 975238474 /nfs/dbraw/zinc/23/84/74/975238474.db2.gz VXZKCHXGARGQPN-CABCVRRESA-N 1 0 355.482 2.867 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000005097756 975814138 /nfs/dbraw/zinc/81/41/38/975814138.db2.gz BCZKXGKEPIORPK-SFHVURJKSA-N 1 0 356.426 2.694 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1[C@@H]1CCOC1 ZINC000876505813 1014286265 /nfs/dbraw/zinc/28/62/65/1014286265.db2.gz BKJPNGZFMFYEIT-UYAOXDASSA-N 1 0 370.497 2.562 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)N(C)C)cc1 ZINC000898447990 976471379 /nfs/dbraw/zinc/47/13/79/976471379.db2.gz NWTQBHWKYCGORD-KRWDZBQOSA-N 1 0 355.438 2.845 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000876650009 1014339697 /nfs/dbraw/zinc/33/96/97/1014339697.db2.gz LKCNIFKWGVEYNW-QFIPXVFZSA-N 1 0 374.525 2.808 20 10 FFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000962102733 1014346128 /nfs/dbraw/zinc/34/61/28/1014346128.db2.gz JWFUXSXMSHUCSD-GAQDBVNISA-N 1 0 372.509 2.803 20 10 FFCDRO CO[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899097986 976904025 /nfs/dbraw/zinc/90/40/25/976904025.db2.gz JZIRDUZVOXHKCF-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO COc1cccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000876731117 1014369725 /nfs/dbraw/zinc/36/97/25/1014369725.db2.gz OUQDBWPOCBLCFE-IBGZPJMESA-N 1 0 371.506 2.565 20 10 FFCDRO CN(c1ccc(CNC(=O)c2c(C[NH3+])cnn2C)cc1)C1CCCCC1 ZINC000876738975 1014373145 /nfs/dbraw/zinc/37/31/45/1014373145.db2.gz BBPKUKCYKVVUJG-UHFFFAOYSA-N 1 0 355.486 2.578 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876873708 1014407210 /nfs/dbraw/zinc/40/72/10/1014407210.db2.gz ONGFLSBULIUFAW-IBGZPJMESA-N 1 0 369.513 2.844 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCc4sccc4C3)cc2)CC1 ZINC000876963797 1014434861 /nfs/dbraw/zinc/43/48/61/1014434861.db2.gz YANDVZJGKIGVGH-UHFFFAOYSA-N 1 0 371.550 2.857 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)Nc1ccccc1 ZINC000877024945 1014452981 /nfs/dbraw/zinc/45/29/81/1014452981.db2.gz TZOFIQZRNXZYOU-INIZCTEOSA-N 1 0 353.466 2.765 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1O ZINC000894193598 978126347 /nfs/dbraw/zinc/12/63/47/978126347.db2.gz SFEYOGDEYUOOFL-UHFFFAOYSA-N 1 0 360.429 2.975 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc(-n4cncn4)c3)cc2)CC1 ZINC000877048939 1014460720 /nfs/dbraw/zinc/46/07/20/1014460720.db2.gz PPNDJUVPKWAUJX-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)cc2F)C[C@H](C)O1 ZINC000729285736 978226612 /nfs/dbraw/zinc/22/66/12/978226612.db2.gz LIUCELLYBGWGPW-IYBDPMFKSA-N 1 0 365.493 2.787 20 10 FFCDRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)c1ccc(N)cc1 ZINC000877076903 1014468884 /nfs/dbraw/zinc/46/88/84/1014468884.db2.gz SQYFWFBXBVKMQM-UNMCSNQZSA-N 1 0 365.477 2.770 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCCCC1 ZINC000877110964 1014476863 /nfs/dbraw/zinc/47/68/63/1014476863.db2.gz CCCYCVKECIVGTG-NRFANRHFSA-N 1 0 371.525 2.671 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000877127624 1014481907 /nfs/dbraw/zinc/48/19/07/1014481907.db2.gz LMCGMMJVDIJHNH-OAQYLSRUSA-N 1 0 358.457 2.784 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1C ZINC000968731218 1014484993 /nfs/dbraw/zinc/48/49/93/1014484993.db2.gz MWQIMJNNWGBXSW-HSALFYBXSA-N 1 0 365.477 2.893 20 10 FFCDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841007586 979063114 /nfs/dbraw/zinc/06/31/14/979063114.db2.gz ZGLGZYZVNCJCDB-HNNXBMFYSA-N 1 0 366.465 2.561 20 10 FFCDRO CC(C)COC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000054324466 979366771 /nfs/dbraw/zinc/36/67/71/979366771.db2.gz KUTIOOZPKSBUQZ-UHFFFAOYSA-N 1 0 361.530 2.848 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001272003653 979546333 /nfs/dbraw/zinc/54/63/33/979546333.db2.gz ZRZJMHKWHHOWJZ-HXUWFJFHSA-N 1 0 355.438 2.554 20 10 FFCDRO CC[C@@H](F)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076623293 979725368 /nfs/dbraw/zinc/72/53/68/979725368.db2.gz OXMCJICAQZORIB-SQWLQELKSA-N 1 0 361.421 2.743 20 10 FFCDRO CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000907493835 981257512 /nfs/dbraw/zinc/25/75/12/981257512.db2.gz VAZFAXNVRVYORF-GOSISDBHSA-N 1 0 360.546 2.736 20 10 FFCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877818658 1014740918 /nfs/dbraw/zinc/74/09/18/1014740918.db2.gz MAUCSFBMYBGXSZ-KRWDZBQOSA-N 1 0 360.498 2.813 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000796620046 1014742248 /nfs/dbraw/zinc/74/22/48/1014742248.db2.gz IQSYAWYWAWSEOY-UHFFFAOYSA-N 1 0 352.482 2.778 20 10 FFCDRO CC(=O)c1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000877927772 1014771192 /nfs/dbraw/zinc/77/11/92/1014771192.db2.gz DPOGMZHACKRARF-UHFFFAOYSA-N 1 0 366.465 2.963 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)c3ccc[nH]3)cc2F)CC1 ZINC000760357144 982374270 /nfs/dbraw/zinc/37/42/70/982374270.db2.gz RDRUSRJNCRNCLP-HNNXBMFYSA-N 1 0 373.476 2.856 20 10 FFCDRO CCC[NH+](CCC)CCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142527575 982581790 /nfs/dbraw/zinc/58/17/90/982581790.db2.gz ZSPDQSSELJTMDV-UHFFFAOYSA-N 1 0 355.473 2.910 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC001116070966 1032107538 /nfs/dbraw/zinc/10/75/38/1032107538.db2.gz KSTDWKSAAKDPLD-UHFFFAOYSA-N 1 0 368.525 2.850 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764865626 984748896 /nfs/dbraw/zinc/74/88/96/984748896.db2.gz VOVLWRALFNPTHE-OAHLLOKOSA-N 1 0 358.461 2.974 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765405073 985074157 /nfs/dbraw/zinc/07/41/57/985074157.db2.gz VRQRRZKVGAPZSG-OAHLLOKOSA-N 1 0 372.444 2.737 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4c3OCC4)cc2)C1 ZINC000921574208 985407528 /nfs/dbraw/zinc/40/75/28/985407528.db2.gz KSPHNIQGYUVPNF-IBGZPJMESA-N 1 0 365.477 2.613 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccnn3C3CCC3)CC2)cc1 ZINC000921609124 985428670 /nfs/dbraw/zinc/42/86/70/985428670.db2.gz QDWVRRLBBZDWOR-UHFFFAOYSA-N 1 0 369.513 2.529 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)[C@@H](C)C1 ZINC001596916593 985948110 /nfs/dbraw/zinc/94/81/10/985948110.db2.gz GHUGBTCZYWNNNJ-DAYGRLMNSA-N 1 0 364.486 2.878 20 10 FFCDRO COc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000174264924 986166164 /nfs/dbraw/zinc/16/61/64/986166164.db2.gz YGUHWJBCDISOPH-GJZGRUSLSA-N 1 0 363.502 2.957 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001272863868 986768560 /nfs/dbraw/zinc/76/85/60/986768560.db2.gz GQCANDDHWKTHTH-VQHVLOKHSA-N 1 0 356.466 2.978 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCCN1Cc1ccccn1 ZINC000921991369 987465838 /nfs/dbraw/zinc/46/58/38/987465838.db2.gz QVFXXZZTYWACCI-LJQANCHMSA-N 1 0 351.450 2.687 20 10 FFCDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978835 988267731 /nfs/dbraw/zinc/26/77/31/988267731.db2.gz PUQMSPDUNDPJON-IIBYNOLFSA-N 1 0 370.518 2.945 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1Cn1cccn1 ZINC000922523303 988668735 /nfs/dbraw/zinc/66/87/35/988668735.db2.gz JYHPKZKZYSRKRG-OALUTQOASA-N 1 0 372.538 2.609 20 10 FFCDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000796492478 1015458903 /nfs/dbraw/zinc/45/89/03/1015458903.db2.gz ZLBUIVJYCZYBNC-UHFFFAOYSA-N 1 0 355.438 2.991 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(Cc3ccc(F)cc3)CC1)OCO2 ZINC000023265464 1015500205 /nfs/dbraw/zinc/50/02/05/1015500205.db2.gz VKRJQLZHJAUDCF-UHFFFAOYSA-N 1 0 358.413 2.968 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000917017141 990093524 /nfs/dbraw/zinc/09/35/24/990093524.db2.gz KMHUIONMSAZIKC-UHFFFAOYSA-N 1 0 371.441 2.623 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccc2c(c1)OCO2 ZINC000920410139 990844996 /nfs/dbraw/zinc/84/49/96/990844996.db2.gz WGTKOKZEEOKMON-GOSISDBHSA-N 1 0 370.449 2.545 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182417331 992044255 /nfs/dbraw/zinc/04/42/55/992044255.db2.gz NJUIAHRZLFZQHJ-LBPRGKRZSA-N 1 0 359.382 2.623 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)cc1F ZINC000182456652 992058518 /nfs/dbraw/zinc/05/85/18/992058518.db2.gz ANCUKDWZLGDEMU-LJQANCHMSA-N 1 0 358.457 2.950 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(C(=O)OC)c3)c2)CC1 ZINC000184285040 992715610 /nfs/dbraw/zinc/71/56/10/992715610.db2.gz ZPAFIXIBPZGMJH-UHFFFAOYSA-N 1 0 367.449 2.867 20 10 FFCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cccc(I)c3[O-])C[C@H]12 ZINC001237785073 992719412 /nfs/dbraw/zinc/71/94/12/992719412.db2.gz CBRCENUJEGSTQF-JQWIXIFHSA-N 1 0 371.218 2.798 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000184937319 993083670 /nfs/dbraw/zinc/08/36/70/993083670.db2.gz WMEHZEBAYGURST-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3coc(C)n3)C2)cc1C ZINC001086680949 994850485 /nfs/dbraw/zinc/85/04/85/994850485.db2.gz RHNKQLILBPCFCF-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO COC(=O)c1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc2c1OCO2 ZINC001170627743 995052066 /nfs/dbraw/zinc/05/20/66/995052066.db2.gz XKUJAWHFEXPKDM-UHFFFAOYSA-N 1 0 372.465 2.936 20 10 FFCDRO O=C(NCCCCF)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000812927009 995579561 /nfs/dbraw/zinc/57/95/61/995579561.db2.gz RCPVQJDTZWSTHX-UHFFFAOYSA-N 1 0 362.493 2.768 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCCOC3)C[C@H]2C)cc1C ZINC001082926511 995844224 /nfs/dbraw/zinc/84/42/24/995844224.db2.gz GJCOBWKDTLHCGR-BHIYHBOVSA-N 1 0 360.498 2.757 20 10 FFCDRO OC[C@@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccccc1 ZINC000824636835 997021467 /nfs/dbraw/zinc/02/14/67/997021467.db2.gz UGOHQUYOQVYKMC-YADHBBJMSA-N 1 0 370.468 2.823 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC([NH2+]C(C)C)CC3)C2)cc1 ZINC000824692388 997055663 /nfs/dbraw/zinc/05/56/63/997055663.db2.gz CCOONOSQOVSQQH-KRWDZBQOSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[N@@H+](C(C)C)CC3)C2)cc1 ZINC000824692448 997056148 /nfs/dbraw/zinc/05/61/48/997056148.db2.gz CSEKMUNBTNPSGG-SFHVURJKSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000824694494 997057229 /nfs/dbraw/zinc/05/72/29/997057229.db2.gz RGVPPLLNHQJJBO-YQVWRLOYSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC000825111817 997215702 /nfs/dbraw/zinc/21/57/02/997215702.db2.gz PQVJWYOACONRIZ-UONOGXRCSA-N 1 0 370.449 2.865 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000825504367 997403901 /nfs/dbraw/zinc/40/39/01/997403901.db2.gz ZFOCOFSYYZSRDM-UHFFFAOYSA-N 1 0 374.412 2.640 20 10 FFCDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173539 997693274 /nfs/dbraw/zinc/69/32/74/997693274.db2.gz HXDJAAWLYBURAW-LEWJYISDSA-N 1 0 373.541 2.809 20 10 FFCDRO C[C@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC[NH2+]C1 ZINC000844178453 997696978 /nfs/dbraw/zinc/69/69/78/997696978.db2.gz VTKUJNDXUWLUAO-IBGZPJMESA-N 1 0 367.440 2.763 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)COc2ccccc2F)cc1 ZINC000844398757 997857879 /nfs/dbraw/zinc/85/78/79/997857879.db2.gz BMHBDWAMWSTUIZ-QGZVFWFLSA-N 1 0 362.445 2.642 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2cc(OC)ccc2OC)cc1 ZINC000844398903 997858082 /nfs/dbraw/zinc/85/80/82/997858082.db2.gz DNGDVGPCOMLRFN-FQEVSTJZSA-N 1 0 374.481 2.814 20 10 FFCDRO O=C(NCc1ccccc1O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881138342 1016175464 /nfs/dbraw/zinc/17/54/64/1016175464.db2.gz SRYDGZWQYIDNAA-LJQANCHMSA-N 1 0 366.465 2.998 20 10 FFCDRO [O-]c1cc(F)c(Br)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001144308841 998306466 /nfs/dbraw/zinc/30/64/66/998306466.db2.gz ZMPASAOLUZALPW-NSHDSACASA-N 1 0 368.206 2.737 20 10 FFCDRO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144504173 998612101 /nfs/dbraw/zinc/61/21/01/998612101.db2.gz NESCVAVXEUCBGC-UHFFFAOYSA-N 1 0 373.453 2.505 20 10 FFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144504675 998613655 /nfs/dbraw/zinc/61/36/55/998613655.db2.gz ZBLMFFKCZJSWGJ-TXEJJXNPSA-N 1 0 352.431 2.633 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2c1cnn2CC1CC1 ZINC001144510100 998623220 /nfs/dbraw/zinc/62/32/20/998623220.db2.gz RICMYAODNVHKIQ-AWEZNQCLSA-N 1 0 373.453 2.546 20 10 FFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1c(O)cc(O)cc1O ZINC001144515798 998627029 /nfs/dbraw/zinc/62/70/29/998627029.db2.gz ZBLMFFKCZJSWGJ-VXGBXAGGSA-N 1 0 352.431 2.633 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H](c2ccccc2)C1 ZINC001144516234 998627710 /nfs/dbraw/zinc/62/77/10/998627710.db2.gz URQXCDPVCBMTFS-PBHICJAKSA-N 1 0 357.406 2.930 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000732458104 998671340 /nfs/dbraw/zinc/67/13/40/998671340.db2.gz GFENYZWGYKYPCM-IBGZPJMESA-N 1 0 372.513 2.542 20 10 FFCDRO Cc1c(C[C@@H](C[NH3+])CN2CCCc3cc(OC(F)F)ccc32)cnn1C ZINC000903905848 1016298811 /nfs/dbraw/zinc/29/88/11/1016298811.db2.gz PCNSIRNLHGMWNU-AWEZNQCLSA-N 1 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ZINC000881850916 1006241613 /nfs/dbraw/zinc/24/16/13/1006241613.db2.gz KEMIYCJZHWOUPG-UHFFFAOYSA-N 1 0 363.383 2.786 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3Cc4ccc(F)cc43)cc2)CC1 ZINC000881854046 1006243897 /nfs/dbraw/zinc/24/38/97/1006243897.db2.gz SSPHVJZAHYEHGU-HXUWFJFHSA-N 1 0 353.441 2.534 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3Cc4ccc(F)cc43)cc2)CC1 ZINC000881854045 1006243999 /nfs/dbraw/zinc/24/39/99/1006243999.db2.gz SSPHVJZAHYEHGU-FQEVSTJZSA-N 1 0 353.441 2.534 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000881853902 1006244379 /nfs/dbraw/zinc/24/43/79/1006244379.db2.gz NYRDGOWAMOYDDQ-OAQYLSRUSA-N 1 0 366.509 2.889 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(OC)ccc3F)CC2)cc1 ZINC000815120434 1006515008 /nfs/dbraw/zinc/51/50/08/1006515008.db2.gz IHUFRGWLZJQFQH-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C3CCC3)cc2F)CC1 ZINC000130436266 1006551495 /nfs/dbraw/zinc/55/14/95/1006551495.db2.gz 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COc1ccc(N2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)cc1 ZINC000855228183 1007193522 /nfs/dbraw/zinc/19/35/22/1007193522.db2.gz XAEWQKHXTAQTIR-KRWDZBQOSA-N 1 0 359.514 2.902 20 10 FFCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000776813097 1007352776 /nfs/dbraw/zinc/35/27/76/1007352776.db2.gz TZXQCHWETNBPBL-FPOVZHCZSA-N 1 0 357.450 2.969 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000775365022 1007504229 /nfs/dbraw/zinc/50/42/29/1007504229.db2.gz ULJZDCWTYMPABF-LBPRGKRZSA-N 1 0 359.382 2.907 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCc2ccccc21 ZINC000135909381 1007710483 /nfs/dbraw/zinc/71/04/83/1007710483.db2.gz QAUDZQOSXUHIFY-NRFANRHFSA-N 1 0 356.441 2.586 20 10 FFCDRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(N(C)C)cc1 ZINC000775403705 1007737985 /nfs/dbraw/zinc/73/79/85/1007737985.db2.gz KJSHSSOJTZBVDV-QGZVFWFLSA-N 1 0 359.514 2.965 20 10 FFCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817996934 1007828895 /nfs/dbraw/zinc/82/88/95/1007828895.db2.gz GBUKJWCMJZNBMD-CRAIPNDOSA-N 1 0 370.522 2.872 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccccc3-n3cncn3)C2)cc1 ZINC000818222346 1007887882 /nfs/dbraw/zinc/88/78/82/1007887882.db2.gz XQRCTDDQNSMRCG-KRWDZBQOSA-N 1 0 363.465 2.892 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccc(N(C)CC)cc3)C2)n1 ZINC000856677972 1007944678 /nfs/dbraw/zinc/94/46/78/1007944678.db2.gz TXJFYBAERRPRGC-FQEVSTJZSA-N 1 0 358.486 2.658 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000114589233 1007969061 /nfs/dbraw/zinc/96/90/61/1007969061.db2.gz AKJIDGGDKDVYNF-GOSISDBHSA-N 1 0 369.465 2.865 20 10 FFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000819120703 1008048650 /nfs/dbraw/zinc/04/86/50/1008048650.db2.gz DSLYLYJDYDGCLS-OAQYLSRUSA-N 1 0 358.457 2.918 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COc3ccc(C)cc3)C2)cc1 ZINC000819381271 1008128251 /nfs/dbraw/zinc/12/82/51/1008128251.db2.gz XEYQSANBFKVKAG-AZUAARDMSA-N 1 0 370.493 2.859 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000858280404 1008338943 /nfs/dbraw/zinc/33/89/43/1008338943.db2.gz RPBQDZWIPQDCIL-HNNXBMFYSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000858348733 1008349270 /nfs/dbraw/zinc/34/92/70/1008349270.db2.gz RSRDCCYBKIWIFJ-GHTZIAJQSA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000858598689 1008388959 /nfs/dbraw/zinc/38/89/59/1008388959.db2.gz GTJMJQMWNGXELM-VQIMIIECSA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]3CCCC[N@H+](C)C3)CC2)cc1 ZINC000858767319 1008419107 /nfs/dbraw/zinc/41/91/07/1008419107.db2.gz HKIIIHILNDHLQM-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)c1 ZINC000116343978 1008425641 /nfs/dbraw/zinc/42/56/41/1008425641.db2.gz IDSIHZLEILQBLO-UHFFFAOYSA-N 1 0 370.449 2.596 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000821331688 1008442465 /nfs/dbraw/zinc/44/24/65/1008442465.db2.gz CXJSSTBCVPSIDN-LJQANCHMSA-N 1 0 366.509 2.986 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(-c3nncnn3)cc2)c1O ZINC001206517341 1032323541 /nfs/dbraw/zinc/32/35/41/1032323541.db2.gz RDIDRBDFSTYXHW-UHFFFAOYSA-N 1 0 357.801 2.591 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccnc(-n3cccn3)c2)cc1Cn1cccn1 ZINC001177217428 1008526079 /nfs/dbraw/zinc/52/60/79/1008526079.db2.gz UYCZWVYSBUNATH-UHFFFAOYSA-N 1 0 374.448 2.811 20 10 FFCDRO CCOc1ccc(C[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)c(O)c1 ZINC000822489566 1008621535 /nfs/dbraw/zinc/62/15/35/1008621535.db2.gz FQBXHWKEEFKOOR-UHFFFAOYSA-N 1 0 360.410 2.536 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3N)cc2)CC1 ZINC000886324664 1008637490 /nfs/dbraw/zinc/63/74/90/1008637490.db2.gz BIGAXKPGJCNYLW-UHFFFAOYSA-N 1 0 372.900 2.914 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC001177479191 1008641250 /nfs/dbraw/zinc/64/12/50/1008641250.db2.gz JJGCXYTWXWZPET-IBGZPJMESA-N 1 0 358.457 2.603 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000859756911 1008650794 /nfs/dbraw/zinc/65/07/94/1008650794.db2.gz VJYZILBFTJVRAJ-UHFFFAOYSA-N 1 0 364.449 2.867 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCOC1 ZINC000886751443 1008858565 /nfs/dbraw/zinc/85/85/65/1008858565.db2.gz QSYMDOQWYDJOAS-UYAOXDASSA-N 1 0 359.514 2.683 20 10 FFCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886751555 1008859631 /nfs/dbraw/zinc/85/96/31/1008859631.db2.gz UFLBNCVTYWOKFX-QGZVFWFLSA-N 1 0 366.509 2.894 20 10 FFCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCC(C(N)=O)CC4)cc3)C[C@H]2C1 ZINC000886751135 1008860209 /nfs/dbraw/zinc/86/02/09/1008860209.db2.gz INIKDDPPDPAJNH-KBCPTCDJSA-N 1 0 371.525 2.682 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cc2)CC1 ZINC000886751670 1008861599 /nfs/dbraw/zinc/86/15/99/1008861599.db2.gz YEKAVKBXJSZFOI-RTWAWAEBSA-N 1 0 371.525 2.826 20 10 FFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000886785153 1008876226 /nfs/dbraw/zinc/87/62/26/1008876226.db2.gz KBXMPRFZPWVKQY-WDYCEAGBSA-N 1 0 366.477 2.755 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000823057431 1008886736 /nfs/dbraw/zinc/88/67/36/1008886736.db2.gz BTPBZURFQNJXAR-MSOLQXFVSA-N 1 0 361.486 2.567 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823247477 1008994781 /nfs/dbraw/zinc/99/47/81/1008994781.db2.gz GBORCXJALBYISS-SJORKVTESA-N 1 0 362.518 2.551 20 10 FFCDRO CC[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823602460 1009137731 /nfs/dbraw/zinc/13/77/31/1009137731.db2.gz NESGAOPVYUQFIP-QUCCMNQESA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000823692294 1009174845 /nfs/dbraw/zinc/17/48/45/1009174845.db2.gz APGDEGDLGAJZRU-ROUUACIJSA-N 1 0 374.529 2.553 20 10 FFCDRO C[C@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[NH+]1CCCC1 ZINC001180584615 1009759835 /nfs/dbraw/zinc/75/98/35/1009759835.db2.gz VMYAYIDFCLSZED-CQSZACIVSA-N 1 0 371.403 2.718 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862278721 1009780877 /nfs/dbraw/zinc/78/08/77/1009780877.db2.gz JOSVUNKENZNNEL-SUMWQHHRSA-N 1 0 366.458 2.515 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000862514503 1009859424 /nfs/dbraw/zinc/85/94/24/1009859424.db2.gz ONTXAFBHFHKQLB-GOSISDBHSA-N 1 0 363.502 2.787 20 10 FFCDRO Cc1occc1CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889673842 1010051187 /nfs/dbraw/zinc/05/11/87/1010051187.db2.gz RODHPJKSXPBIII-UHFFFAOYSA-N 1 0 356.470 2.681 20 10 FFCDRO CCn1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)[C@H](C)C2)cn1 ZINC001093680520 1010443812 /nfs/dbraw/zinc/44/38/12/1010443812.db2.gz NDYSCCREYIQVKB-SJLPKXTDSA-N 1 0 370.497 2.718 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000794707638 1010553127 /nfs/dbraw/zinc/55/31/27/1010553127.db2.gz VYIMUHJTNACLGC-LHSJRXKWSA-N 1 0 371.433 2.712 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](n3cncn3)C(F)(F)F)CC2)cc1 ZINC000865682008 1010841249 /nfs/dbraw/zinc/84/12/49/1010841249.db2.gz DOPBONYSLBGUAM-MRXNPFEDSA-N 1 0 369.391 2.649 20 10 FFCDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865714901 1010848004 /nfs/dbraw/zinc/84/80/04/1010848004.db2.gz XWKYUVVAUATVSG-OAQYLSRUSA-N 1 0 358.457 2.746 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)C[C@H]2C)cc1C ZINC001094200708 1010965286 /nfs/dbraw/zinc/96/52/86/1010965286.db2.gz MQMWFKQKMKKHME-CRAIPNDOSA-N 1 0 369.465 2.602 20 10 FFCDRO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc2ccccc2c1O ZINC000866627449 1011025726 /nfs/dbraw/zinc/02/57/26/1011025726.db2.gz ANTYWIAOYRRLLN-GFCCVEGCSA-N 1 0 351.406 2.965 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@H](C)C1 ZINC000868263168 1011219696 /nfs/dbraw/zinc/21/96/96/1011219696.db2.gz LDVJTKUCHUSEBB-SOLBZPMBSA-N 1 0 363.502 2.889 20 10 FFCDRO C[C@@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000773313447 1011321128 /nfs/dbraw/zinc/32/11/28/1011321128.db2.gz HMQDHLGOTKTVBJ-QGZVFWFLSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172015370 1011585380 /nfs/dbraw/zinc/58/53/80/1011585380.db2.gz DLLVAVMXBLOZAZ-HNNXBMFYSA-N 1 0 353.466 2.698 20 10 FFCDRO CN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001275033388 1011837915 /nfs/dbraw/zinc/83/79/15/1011837915.db2.gz ANUVWVBSBZDRDS-GHTZIAJQSA-N 1 0 352.434 2.546 20 10 FFCDRO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275072070 1011885311 /nfs/dbraw/zinc/88/53/11/1011885311.db2.gz AUJHWHNSTIGUHH-UTKZUKDTSA-N 1 0 359.514 2.602 20 10 FFCDRO CCCCCC[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001275112053 1011952677 /nfs/dbraw/zinc/95/26/77/1011952677.db2.gz WZYGMVRMYOGCHF-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001275237863 1012125650 /nfs/dbraw/zinc/12/56/50/1012125650.db2.gz DQAVVFROTNKGFK-UHFFFAOYSA-N 1 0 360.498 2.942 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275248361 1012137340 /nfs/dbraw/zinc/13/73/40/1012137340.db2.gz NLOZUUJMOVDGTN-LIRRHRJNSA-N 1 0 366.889 2.895 20 10 FFCDRO O=C1CO[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)CN1C1CCCC1 ZINC001275249069 1012141159 /nfs/dbraw/zinc/14/11/59/1012141159.db2.gz WJXLAKMUHGKNKT-IBGZPJMESA-N 1 0 364.873 2.792 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275249275 1012142066 /nfs/dbraw/zinc/14/20/66/1012142066.db2.gz YSRGAMHVUQAUQW-IBGZPJMESA-N 1 0 364.873 2.815 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cc[nH]c3)C2=O)cc1 ZINC001275264858 1012175518 /nfs/dbraw/zinc/17/55/18/1012175518.db2.gz BXBKKSZVEBKVKR-NRFANRHFSA-N 1 0 352.482 2.848 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c1O ZINC001275279013 1012190908 /nfs/dbraw/zinc/19/09/08/1012190908.db2.gz FQAAKGFLHWAZGQ-INIZCTEOSA-N 1 0 358.360 2.535 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 ZINC000796363657 1012357913 /nfs/dbraw/zinc/35/79/13/1012357913.db2.gz QTLSASWIQYVXCS-VXKWHMMOSA-N 1 0 366.505 2.984 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnco2)cc1 ZINC001275372539 1012377233 /nfs/dbraw/zinc/37/72/33/1012377233.db2.gz GIXLYJHDMMHMLB-RTBURBONSA-N 1 0 354.454 2.506 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000828258240 1032641096 /nfs/dbraw/zinc/64/10/96/1032641096.db2.gz AOEOUDRNQOLZJR-SMGNDMQFSA-N 1 0 359.426 2.702 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275598492 1012675823 /nfs/dbraw/zinc/67/58/23/1012675823.db2.gz PSVNWJHYUIXTPJ-HRAATJIYSA-N 1 0 357.498 2.892 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c1O ZINC001275771472 1012989289 /nfs/dbraw/zinc/98/92/89/1012989289.db2.gz OMVHJMNKEVXFIM-KRWDZBQOSA-N 1 0 356.388 2.996 20 10 FFCDRO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275772089 1012991665 /nfs/dbraw/zinc/99/16/65/1012991665.db2.gz XFZDJBVAJVGKOP-GOSISDBHSA-N 1 0 360.498 2.764 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N(C4COC4)C3)CC2)c1O ZINC001275775624 1012994683 /nfs/dbraw/zinc/99/46/83/1012994683.db2.gz PJLVLOFJNNAWSK-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)C1 ZINC000924727345 1017451831 /nfs/dbraw/zinc/45/18/31/1017451831.db2.gz FFLBVAHHRDSYJG-SVFBPWRDSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cn(C)cn1 ZINC000925674980 1017814184 /nfs/dbraw/zinc/81/41/84/1017814184.db2.gz BYEJVWMMFCMWQA-QGZVFWFLSA-N 1 0 353.514 2.803 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000827458494 1018116626 /nfs/dbraw/zinc/11/66/26/1018116626.db2.gz GFHXGCUUIXVXLU-MSOLQXFVSA-N 1 0 359.514 2.760 20 10 FFCDRO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000827726125 1018630291 /nfs/dbraw/zinc/63/02/91/1018630291.db2.gz RSLDBHRDEDKESW-FOIQADDNSA-N 1 0 371.456 2.582 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000927813830 1018678199 /nfs/dbraw/zinc/67/81/99/1018678199.db2.gz HHGFGLUORZZFMU-CXAGYDPISA-N 1 0 351.410 2.765 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCON2C(=O)c3ccccc3C2=O)c1 ZINC000828682416 1032799936 /nfs/dbraw/zinc/79/99/36/1032799936.db2.gz NUQNRVCVPLFFCI-CYBMUJFWSA-N 1 0 370.405 2.669 20 10 FFCDRO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000827937130 1019052591 /nfs/dbraw/zinc/05/25/91/1019052591.db2.gz LSHFSESAMSBGJD-MRXNPFEDSA-N 1 0 353.466 2.631 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000390700989 1019869883 /nfs/dbraw/zinc/86/98/83/1019869883.db2.gz DUKJHLDJOKZXOJ-KRWDZBQOSA-N 1 0 362.470 2.737 20 10 FFCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000725841346 1020270267 /nfs/dbraw/zinc/27/02/67/1020270267.db2.gz AMACNSYGJRNYBN-QGZVFWFLSA-N 1 0 370.449 2.690 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900400433 1020402909 /nfs/dbraw/zinc/40/29/09/1020402909.db2.gz NTOQJNOZQAALAO-UHFFFAOYSA-N 1 0 374.573 2.907 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000902944502 1020589298 /nfs/dbraw/zinc/58/92/98/1020589298.db2.gz HXAZDENZJKSVLH-UHFFFAOYSA-N 1 0 357.429 2.995 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CC3)C[C@@H](O)CCO4)cc2)CC1 ZINC000933054056 1020945201 /nfs/dbraw/zinc/94/52/01/1020945201.db2.gz GBCSVHIPXSRCMG-FQEVSTJZSA-N 1 0 374.525 2.808 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000749387420 1020964710 /nfs/dbraw/zinc/96/47/10/1020964710.db2.gz GCNHTGWLHFIEOV-HXUWFJFHSA-N 1 0 368.525 2.687 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934336067 1021199046 /nfs/dbraw/zinc/19/90/46/1021199046.db2.gz YGLUYMGYANSHBN-KRWDZBQOSA-N 1 0 372.538 2.732 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218029873 1032961552 /nfs/dbraw/zinc/96/15/52/1032961552.db2.gz OISIUTBJNQTPRO-NHYWBVRUSA-N 1 0 367.401 2.640 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCc4ccccc4[C@H]3CO)cc2F)CC1 ZINC001116442575 1021219723 /nfs/dbraw/zinc/21/97/23/1021219723.db2.gz FOFWEWCFQUFDMO-JOCHJYFZSA-N 1 0 369.484 2.669 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)CF)cc2F)CC1 ZINC001116634292 1021322275 /nfs/dbraw/zinc/32/22/75/1021322275.db2.gz QQFXQJTXAMYMFB-UHFFFAOYSA-N 1 0 354.445 2.515 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+]C[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218068770 1032976914 /nfs/dbraw/zinc/97/69/14/1032976914.db2.gz FXJVVRIEIRGEMN-HIFRSBDPSA-N 1 0 355.365 2.555 20 10 FFCDRO COc1c(C)c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc2c1C(=O)c1ccccc1C2=O ZINC001218146632 1033016789 /nfs/dbraw/zinc/01/67/89/1033016789.db2.gz DNIQDAWBYWYYOA-ZPHSUKBBSA-N 1 0 363.413 2.766 20 10 FFCDRO Cc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C1CCCC1 ZINC001118219310 1022127727 /nfs/dbraw/zinc/12/77/27/1022127727.db2.gz VQQDVTWLRITFEY-IBGZPJMESA-N 1 0 355.486 2.802 20 10 FFCDRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C(F)(F)F ZINC001119472301 1022793357 /nfs/dbraw/zinc/79/33/57/1022793357.db2.gz YUGMHXFOVFDXKQ-GOEBONIOSA-N 1 0 370.419 2.565 20 10 FFCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159955886 1022853065 /nfs/dbraw/zinc/85/30/65/1022853065.db2.gz MWZCLYJVXNVVQD-HUUCEWRRSA-N 1 0 364.486 2.926 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)c1 ZINC001119948506 1023177345 /nfs/dbraw/zinc/17/73/45/1023177345.db2.gz PSHHRRZUMRPAHW-UHFFFAOYSA-N 1 0 362.430 2.771 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+]3CCCOCC3)c2C)cc1 ZINC000189435249 1023281483 /nfs/dbraw/zinc/28/14/83/1023281483.db2.gz VBFVLXASYTYXCP-UHFFFAOYSA-N 1 0 371.481 2.555 20 10 FFCDRO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000779190166 1023324921 /nfs/dbraw/zinc/32/49/21/1023324921.db2.gz CFZBNNARNUGDQC-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000753743835 1023375163 /nfs/dbraw/zinc/37/51/63/1023375163.db2.gz KMHZDQJUIJRYPT-JXFKEZNVSA-N 1 0 352.482 2.989 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+]C[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218416822 1033146426 /nfs/dbraw/zinc/14/64/26/1033146426.db2.gz UGAXYMKULSODJP-MLGOLLRUSA-N 1 0 351.402 2.847 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756149573 1023673376 /nfs/dbraw/zinc/67/33/76/1023673376.db2.gz MGFPEBXCLRSIRC-INIZCTEOSA-N 1 0 362.376 2.964 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc(F)cc(F)c1[O-] ZINC000756431114 1023709568 /nfs/dbraw/zinc/70/95/68/1023709568.db2.gz BPONLWWJNQGYDK-CYBMUJFWSA-N 1 0 362.424 2.668 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(O)c1 ZINC000756457557 1023713017 /nfs/dbraw/zinc/71/30/17/1023713017.db2.gz RPYYRMZCJVTZJT-GOEBONIOSA-N 1 0 370.449 2.676 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000756469808 1023715816 /nfs/dbraw/zinc/71/58/16/1023715816.db2.gz KEFAWELVZFNSLL-HNNXBMFYSA-N 1 0 370.449 2.724 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000756689773 1023744852 /nfs/dbraw/zinc/74/48/52/1023744852.db2.gz INHRPMTVRWESII-FQEVSTJZSA-N 1 0 370.541 2.942 20 10 FFCDRO O=C1c2cccc(O[C@H]3C[NH2+]CCC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218456113 1033164157 /nfs/dbraw/zinc/16/41/57/1033164157.db2.gz ZOESATBKBVBTSE-AWEZNQCLSA-N 1 0 359.328 2.544 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3ccc(C)cc3O)C2)nc1 ZINC000757655740 1023843307 /nfs/dbraw/zinc/84/33/07/1023843307.db2.gz PVBLCHPEADHSEE-CQSZACIVSA-N 1 0 355.438 2.812 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c2c1c(F)ccc2O ZINC000757659271 1023843333 /nfs/dbraw/zinc/84/33/33/1023843333.db2.gz ZIDFTDFUUJWXNB-SNPRPXQTSA-N 1 0 372.444 2.594 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218460919 1033166293 /nfs/dbraw/zinc/16/62/93/1033166293.db2.gz OWBSMBVNCXLMGU-SRCQZFHVSA-N 1 0 363.413 2.853 20 10 FFCDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191655850 1023889418 /nfs/dbraw/zinc/88/94/18/1023889418.db2.gz GKIXTRRKUNGDQV-OAQYLSRUSA-N 1 0 361.530 2.584 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC001121925568 1024176097 /nfs/dbraw/zinc/17/60/97/1024176097.db2.gz BHWNAWRXLMXSNB-KFWWJZLASA-N 1 0 367.440 2.761 20 10 FFCDRO O=C1CN([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)c2ccccc2N1 ZINC000758975582 1024407779 /nfs/dbraw/zinc/40/77/79/1024407779.db2.gz WONBHNFMKVNMCK-GOSISDBHSA-N 1 0 363.461 2.914 20 10 FFCDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(CC)CC ZINC000759442083 1024610062 /nfs/dbraw/zinc/61/00/62/1024610062.db2.gz YAGAUQFZLKGRLS-OALUTQOASA-N 1 0 361.530 2.942 20 10 FFCDRO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001111481660 1024942386 /nfs/dbraw/zinc/94/23/86/1024942386.db2.gz WBEFVWBVCIFFDE-ZACQAIPSSA-N 1 0 373.457 2.611 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC001141157396 1025538181 /nfs/dbraw/zinc/53/81/81/1025538181.db2.gz GUFZWPDIMNXIEO-TZIWHRDSSA-N 1 0 370.449 2.943 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001141163275 1025546254 /nfs/dbraw/zinc/54/62/54/1025546254.db2.gz YFNRCPQWWSQSNQ-UHFFFAOYSA-N 1 0 362.433 2.877 20 10 FFCDRO C[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000837882105 1026083631 /nfs/dbraw/zinc/08/36/31/1026083631.db2.gz JHBKDUKMGSFHKP-QZTJIDSGSA-N 1 0 374.529 2.615 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000839666104 1026784298 /nfs/dbraw/zinc/78/42/98/1026784298.db2.gz PSVCXUNHLDWJRF-JZXOWHBKSA-N 1 0 371.456 2.904 20 10 FFCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]2C1)C(F)(F)F ZINC000840128797 1026970842 /nfs/dbraw/zinc/97/08/42/1026970842.db2.gz VAEBDTRIMZEAPW-GOEBONIOSA-N 1 0 368.399 2.724 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3nsnc32)[NH+](C)C)cc1 ZINC001158718393 1027105951 /nfs/dbraw/zinc/10/59/51/1027105951.db2.gz XCIAYNNTKBADAG-QGZVFWFLSA-N 1 0 369.494 2.790 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000795654091 1027472969 /nfs/dbraw/zinc/47/29/69/1027472969.db2.gz CJVWZYYRFKNXJK-CYBMUJFWSA-N 1 0 374.403 2.990 20 10 FFCDRO COCc1ccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nn1 ZINC001160623251 1027777164 /nfs/dbraw/zinc/77/71/64/1027777164.db2.gz IJJONDCMDGKOCU-WOJBJXKFSA-N 1 0 366.421 2.887 20 10 FFCDRO COc1cncc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160616518 1027778706 /nfs/dbraw/zinc/77/87/06/1027778706.db2.gz LYMLEINBEZYQKW-RTBURBONSA-N 1 0 352.394 2.750 20 10 FFCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000795902259 1028245703 /nfs/dbraw/zinc/24/57/03/1028245703.db2.gz QNACBYVECXNBJZ-UHFFFAOYSA-N 1 0 358.413 2.739 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CSC)C[C@H]2C)cc1C ZINC001103856143 1028305033 /nfs/dbraw/zinc/30/50/33/1028305033.db2.gz PKNLQBUPALPEIW-NVXWUHKLSA-N 1 0 350.528 2.941 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)cc1C ZINC001103941531 1028402465 /nfs/dbraw/zinc/40/24/65/1028402465.db2.gz QIHABYIPEAEAIL-CRAIPNDOSA-N 1 0 370.497 2.923 20 10 FFCDRO COC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001103989974 1028452938 /nfs/dbraw/zinc/45/29/38/1028452938.db2.gz QFXNCXMBHKMNNT-ZHALLVOQSA-N 1 0 362.514 2.860 20 10 FFCDRO [NH3+][C@H]1Cc2ccccc2N(c2cc(Br)cc3c2NC(=O)C3)C1 ZINC001162854752 1028679278 /nfs/dbraw/zinc/67/92/78/1028679278.db2.gz VVYFSPLZCKYQKP-ZDUSSCGKSA-N 1 0 358.239 2.965 20 10 FFCDRO Cn1cnc2c1ncnc2N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630135 1028824209 /nfs/dbraw/zinc/82/42/09/1028824209.db2.gz RTCXJSYRRBTVFQ-DODZYUBVSA-N 1 0 364.497 2.763 20 10 FFCDRO CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000780881697 1028846099 /nfs/dbraw/zinc/84/60/99/1028846099.db2.gz SKCIDMMBHGNFQB-QGZVFWFLSA-N 1 0 354.450 2.973 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1C(=O)OC(C)(C)C ZINC000690922920 1028904847 /nfs/dbraw/zinc/90/48/47/1028904847.db2.gz QCZLNNGIBFZLHZ-TZMCWYRMSA-N 1 0 364.442 2.999 20 10 FFCDRO CCc1ccc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC001156260784 1029116024 /nfs/dbraw/zinc/11/60/24/1029116024.db2.gz LPUBTVUFNQDMBN-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO CCOC(=O)Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156657978 1029294204 /nfs/dbraw/zinc/29/42/04/1029294204.db2.gz QANKAJVZGIQRAJ-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO Cc1cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c(C)n1-c1ccccc1C ZINC001157004696 1029439236 /nfs/dbraw/zinc/43/92/36/1029439236.db2.gz ALXZEPLOOPSUQR-KRWDZBQOSA-N 1 0 353.466 2.605 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001157433333 1029584828 /nfs/dbraw/zinc/58/48/28/1029584828.db2.gz JMTWHSBAXGLTMG-ZWDAVXSWSA-N 1 0 372.509 2.907 20 10 FFCDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2C1 ZINC000841323677 1030195851 /nfs/dbraw/zinc/19/58/51/1030195851.db2.gz AAYXKHCIMWKJSD-HNNXBMFYSA-N 1 0 366.465 2.804 20 10 FFCDRO CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001112246870 1030312256 /nfs/dbraw/zinc/31/22/56/1030312256.db2.gz MWCHFUSNBCLLLU-RXVVDRJESA-N 1 0 360.498 2.758 20 10 FFCDRO Nc1ccc(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000841612654 1030368075 /nfs/dbraw/zinc/36/80/75/1030368075.db2.gz NCZDLPRSBXMXFR-UHFFFAOYSA-N 1 0 352.482 2.775 20 10 FFCDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 ZINC000841749049 1030444369 /nfs/dbraw/zinc/44/43/69/1030444369.db2.gz BKIOBUCBZAOBAR-JXFKEZNVSA-N 1 0 374.529 2.713 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841823660 1030488260 /nfs/dbraw/zinc/48/82/60/1030488260.db2.gz GAXDCQOFDRXKRK-RBUKOAKNSA-N 1 0 358.530 2.982 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841832817 1030493407 /nfs/dbraw/zinc/49/34/07/1030493407.db2.gz ULVHXKJNYDZHTF-WOJBJXKFSA-N 1 0 368.525 2.984 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841940785 1030554488 /nfs/dbraw/zinc/55/44/88/1030554488.db2.gz UQHZGONFOVKZKE-FQEVSTJZSA-N 1 0 374.529 2.825 20 10 FFCDRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4cc(F)c(F)cc4[O-])C[C@@H]3C2)nn1 ZINC001142512989 1030562616 /nfs/dbraw/zinc/56/26/16/1030562616.db2.gz RSQGRIMOQYTNMM-UKRRQHHQSA-N 1 0 360.408 2.727 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(OC)c(C)c3)C2)nc1 ZINC000784626127 1030724389 /nfs/dbraw/zinc/72/43/89/1030724389.db2.gz VLRPJBPTUPOLLC-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4[nH]cnc43)CC2)c(OC)c1 ZINC001142696888 1030732813 /nfs/dbraw/zinc/73/28/13/1030732813.db2.gz XHGKFDLLBMELMJ-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001203591228 1030775067 /nfs/dbraw/zinc/77/50/67/1030775067.db2.gz DUBCQSOKWNQCAY-DYESRHJHSA-N 1 0 352.434 2.507 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c1O ZINC001203602872 1030780073 /nfs/dbraw/zinc/78/00/73/1030780073.db2.gz BAIJGUCTBNTHHR-CUWPLCDZSA-N 1 0 370.449 2.997 20 10 FFCDRO COC[C@@H]1CN(Cc2ccc(OC)cc2O)Cc2nn(CC3CC3)cc21 ZINC001203622101 1030789048 /nfs/dbraw/zinc/78/90/48/1030789048.db2.gz OZBFYLQLXSCLAB-INIZCTEOSA-N 1 0 357.454 2.753 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001203630940 1030794678 /nfs/dbraw/zinc/79/46/78/1030794678.db2.gz XXNYAELWCPXCMU-UHFFFAOYSA-N 1 0 357.454 2.930 20 10 FFCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203640351 1030801982 /nfs/dbraw/zinc/80/19/82/1030801982.db2.gz XPMPBAXWUBHBRT-INIZCTEOSA-N 1 0 353.260 2.742 20 10 FFCDRO CC(=O)N1CC[C@H]([N@@H+](Cc2cc(Br)ccc2O)C(C)C)C1 ZINC001203649783 1030804705 /nfs/dbraw/zinc/80/47/05/1030804705.db2.gz GQLXRTLSMNUALG-HNNXBMFYSA-N 1 0 355.276 2.986 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658369 1030806679 /nfs/dbraw/zinc/80/66/79/1030806679.db2.gz KTKWQXJUNDZLIA-YLJYHZDGSA-N 1 0 371.868 2.969 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC001203671772 1030816492 /nfs/dbraw/zinc/81/64/92/1030816492.db2.gz XGSUIIBZUSPWBV-FQEVSTJZSA-N 1 0 354.454 2.683 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC001203673172 1030819892 /nfs/dbraw/zinc/81/98/92/1030819892.db2.gz PNQPSKKOAUDBOM-WIYYLYMNSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001203673468 1030820043 /nfs/dbraw/zinc/82/00/43/1030820043.db2.gz ZRFQIBBIIBEFQC-GHTZIAJQSA-N 1 0 370.449 2.998 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203931481 1030990216 /nfs/dbraw/zinc/99/02/16/1030990216.db2.gz RGDYYCJGIXYPRH-UHFFFAOYSA-N 1 0 359.495 2.987 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000843064856 1031168748 /nfs/dbraw/zinc/16/87/48/1031168748.db2.gz HJVKXMFKBZTWCD-JOCHJYFZSA-N 1 0 354.494 2.589 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1Cc1ccncc1 ZINC001204273503 1031199515 /nfs/dbraw/zinc/19/95/15/1031199515.db2.gz CPJOLQAFLMJYKQ-UHFFFAOYSA-N 1 0 367.449 2.650 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001204280744 1031207888 /nfs/dbraw/zinc/20/78/88/1031207888.db2.gz DKHGWKRAYYELIM-GFCCVEGCSA-N 1 0 355.316 2.560 20 10 FFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4ccc(N5CCCC5)cc4)C[C@H]3O2)n1 ZINC001204322167 1031227176 /nfs/dbraw/zinc/22/71/76/1031227176.db2.gz ISOKXWXBWYHNES-DFQSSKMNSA-N 1 0 368.481 2.810 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001204327960 1031229675 /nfs/dbraw/zinc/22/96/75/1031229675.db2.gz OKSKIDAKNQDBJC-QFIPXVFZSA-N 1 0 371.525 2.748 20 10 FFCDRO COc1cc(Br)cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001204340117 1031235350 /nfs/dbraw/zinc/23/53/50/1031235350.db2.gz CXTCXSLPKZZSNX-MFKMUULPSA-N 1 0 354.244 2.964 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@@H]1C ZINC001204339248 1031235804 /nfs/dbraw/zinc/23/58/04/1031235804.db2.gz CNHGSUFBWCGWCN-ZWNOBZJWSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1O ZINC001204343008 1031236848 /nfs/dbraw/zinc/23/68/48/1031236848.db2.gz WLUVODCOXHLLRH-FZMZJTMJSA-N 1 0 355.276 2.689 20 10 FFCDRO C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350663 1031343056 /nfs/dbraw/zinc/34/30/56/1031343056.db2.gz SGUBSMZZSUQILY-OXJNMPFZSA-N 1 0 359.514 2.609 20 10 FFCDRO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350321 1031344691 /nfs/dbraw/zinc/34/46/91/1031344691.db2.gz MMNQVTDLYIVHIQ-QGZVFWFLSA-N 1 0 351.494 2.954 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843365157 1031356082 /nfs/dbraw/zinc/35/60/82/1031356082.db2.gz DCLWPDYFUJBXAR-GDBMZVCRSA-N 1 0 369.465 2.675 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@@H](CO)[C@H]3C(F)(F)F)cc2)CC1 ZINC000843413695 1031389517 /nfs/dbraw/zinc/38/95/17/1031389517.db2.gz MSDDCGOJDLQAKZ-WMZOPIPTSA-N 1 0 371.447 2.574 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@]1(O)CCc2ccccc21 ZINC000843422476 1031396990 /nfs/dbraw/zinc/39/69/90/1031396990.db2.gz WDVGTWMWLURBJD-JOCHJYFZSA-N 1 0 370.468 2.928 20 10 FFCDRO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001205103119 1031527791 /nfs/dbraw/zinc/52/77/91/1031527791.db2.gz ZRHMTTWCOANXIJ-OAHLLOKOSA-N 1 0 368.319 2.599 20 10 FFCDRO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000799980218 1031940766 /nfs/dbraw/zinc/94/07/66/1031940766.db2.gz MWDOUYGPMBWVQP-FVJLSDCUSA-N 1 0 371.525 2.648 20 10 FFCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])C2CCC(O)CC2)cc1 ZINC001218955428 1033426903 /nfs/dbraw/zinc/42/69/03/1033426903.db2.gz KVTFLJOQWXAHKB-GQOXECLESA-N 1 0 353.466 2.680 20 10 FFCDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001219002256 1033454139 /nfs/dbraw/zinc/45/41/39/1033454139.db2.gz MZWRTVPOEUOTDQ-INIZCTEOSA-N 1 0 365.433 2.617 20 10 FFCDRO CC(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1(CO)CC=CC1 ZINC000830531199 1033659091 /nfs/dbraw/zinc/65/90/91/1033659091.db2.gz LRFLYOSZGOMDHN-NRFANRHFSA-N 1 0 373.541 2.654 20 10 FFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967893 1033865544 /nfs/dbraw/zinc/86/55/44/1033865544.db2.gz UQYNRWAVCAYJJS-HZPDHXFCSA-N 1 0 370.852 2.787 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H]1C ZINC001138340314 1034169934 /nfs/dbraw/zinc/16/99/34/1034169934.db2.gz TYZVHLQTPJBMTK-PBHICJAKSA-N 1 0 358.482 2.865 20 10 FFCDRO Oc1c(C[NH+]2CC(N3CCC(F)CC3)C2)cc2c3c1CCCN3CCC2 ZINC001138339972 1034170440 /nfs/dbraw/zinc/17/04/40/1034170440.db2.gz OPPCJXBSTRXFBA-UHFFFAOYSA-N 1 0 359.489 2.709 20 10 FFCDRO Oc1c(CN2CCO[C@@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138340682 1034171169 /nfs/dbraw/zinc/17/11/69/1034171169.db2.gz ZFGYWVKKTRISKX-OAHLLOKOSA-N 1 0 356.388 2.854 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](OCC(=O)NC(C)(C)C)C3)ccc21 ZINC001138356089 1034193108 /nfs/dbraw/zinc/19/31/08/1034193108.db2.gz HHRADVDPODHEPC-IBGZPJMESA-N 1 0 373.541 2.965 20 10 FFCDRO Fc1ccc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC001138494793 1034331840 /nfs/dbraw/zinc/33/18/40/1034331840.db2.gz KUVXMLVCGVNHEB-UHFFFAOYSA-N 1 0 370.472 2.770 20 10 FFCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1Cc1ccccc1 ZINC001138496719 1034334016 /nfs/dbraw/zinc/33/40/16/1034334016.db2.gz RDSHKIUVHUZETQ-FCHUYYIVSA-N 1 0 352.478 2.701 20 10 FFCDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499707 1034339804 /nfs/dbraw/zinc/33/98/04/1034339804.db2.gz FNUWTKDMFBLOJZ-FQEVSTJZSA-N 1 0 368.481 2.665 20 10 FFCDRO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499289 1034339946 /nfs/dbraw/zinc/33/99/46/1034339946.db2.gz BMDTWTJVHQLDQR-HXUWFJFHSA-N 1 0 353.466 2.880 20 10 FFCDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675670 1034535702 /nfs/dbraw/zinc/53/57/02/1034535702.db2.gz GQSWPQSDTLIXFG-OAHLLOKOSA-N 1 0 369.303 2.633 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)C1(C)COC1 ZINC001138679657 1034540061 /nfs/dbraw/zinc/54/00/61/1034540061.db2.gz FFRMMZXKSDDLQB-UHFFFAOYSA-N 1 0 355.276 2.506 20 10 FFCDRO COc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832285138 1034701546 /nfs/dbraw/zinc/70/15/46/1034701546.db2.gz OOXKLKVMMALOBY-SFHVURJKSA-N 1 0 371.481 2.519 20 10 FFCDRO Cc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)oc2c1C(=O)CCC2 ZINC000832299787 1034714512 /nfs/dbraw/zinc/71/45/12/1034714512.db2.gz IOYVLMVRPMDDON-OAHLLOKOSA-N 1 0 355.438 2.603 20 10 FFCDRO CCOC(=O)c1coc2c1CN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C2 ZINC001139259117 1035031220 /nfs/dbraw/zinc/03/12/20/1035031220.db2.gz IPWBKKBXQIKQBH-UHFFFAOYSA-N 1 0 374.437 2.748 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410901 1035094892 /nfs/dbraw/zinc/09/48/92/1035094892.db2.gz LAVGPZMAGFREAW-LJQANCHMSA-N 1 0 374.529 2.837 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)ccc1N(C)C ZINC001139674565 1035195051 /nfs/dbraw/zinc/19/50/51/1035195051.db2.gz WLWHZQOAUDIDAC-LJQANCHMSA-N 1 0 352.482 2.850 20 10 FFCDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682300 1035196911 /nfs/dbraw/zinc/19/69/11/1035196911.db2.gz VTMTVBDQOJGZTN-QRWLVFNGSA-N 1 0 366.452 2.851 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1cccc(C)c1 ZINC000833565273 1035211190 /nfs/dbraw/zinc/21/11/90/1035211190.db2.gz AWDRZRRFUIWHPU-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140054868 1035323225 /nfs/dbraw/zinc/32/32/25/1035323225.db2.gz ZASOTMPKJBHFEN-FXAWDEMLSA-N 1 0 372.444 2.581 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001140102697 1035342923 /nfs/dbraw/zinc/34/29/23/1035342923.db2.gz WSWJJRXPUSPERF-NSHDSACASA-N 1 0 368.206 2.737 20 10 FFCDRO Cc1ccnn1C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140287456 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AXDYLTMMUDXZHH-PIGZYNQJSA-N 1 0 373.280 2.674 20 10 FFCDRO Fc1ccc([C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)cc3)CCO2)cc1F ZINC001236071774 1037915047 /nfs/dbraw/zinc/91/50/47/1037915047.db2.gz ZIQDVSVIYLZSGH-NRFANRHFSA-N 1 0 373.447 2.948 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c(O)c1 ZINC001231843899 1037940613 /nfs/dbraw/zinc/94/06/13/1037940613.db2.gz BRITYSFNUZGCLS-RLLQIKCJSA-N 1 0 358.482 2.753 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c(O)c1 ZINC001231845122 1037943882 /nfs/dbraw/zinc/94/38/82/1037943882.db2.gz WESNWXPHMXGCDX-KRWDZBQOSA-N 1 0 351.454 2.734 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)c1 ZINC001231857999 1037956833 /nfs/dbraw/zinc/95/68/33/1037956833.db2.gz PLBKQNJVJZIMBD-SFHVURJKSA-N 1 0 357.454 2.818 20 10 FFCDRO COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236218004 1037991214 /nfs/dbraw/zinc/99/12/14/1037991214.db2.gz RBFPZMMYOWJOMD-ZIAGYGMSSA-N 1 0 371.275 2.643 20 10 FFCDRO c1c(-c2ccccc2)nc2n1CCN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236237833 1037998595 /nfs/dbraw/zinc/99/85/95/1037998595.db2.gz WWGOPJZZBIEVPK-UHFFFAOYSA-N 1 0 373.504 2.976 20 10 FFCDRO O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001276553559 1038014875 /nfs/dbraw/zinc/01/48/75/1038014875.db2.gz QVSAENRCDYOKOQ-FQEVSTJZSA-N 1 0 360.454 2.703 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3nccc(C)n3)CC2)cc1OC ZINC001236753379 1038240413 /nfs/dbraw/zinc/24/04/13/1038240413.db2.gz MTGYMLKFTCOSHU-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001236790771 1038271605 /nfs/dbraw/zinc/27/16/05/1038271605.db2.gz XWOAYQAEFSKVMC-CMKODMSKSA-N 1 0 369.465 2.803 20 10 FFCDRO COc1cc(O)c(CN2CCN(c3ccnc(OC)c3)CC2)c(Cl)c1 ZINC001236805816 1038278995 /nfs/dbraw/zinc/27/89/95/1038278995.db2.gz JFDIGYIKILBKHT-UHFFFAOYSA-N 1 0 363.845 2.780 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c([O-])c1Cl ZINC001236808753 1038282400 /nfs/dbraw/zinc/28/24/00/1038282400.db2.gz IZSIFSRAYFQBFX-ZDUSSCGKSA-N 1 0 355.866 2.726 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(O)c1 ZINC001236809924 1038282891 /nfs/dbraw/zinc/28/28/91/1038282891.db2.gz UDVOJSISCDITIM-HUUCEWRRSA-N 1 0 359.495 2.730 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c(O)c1 ZINC001236810099 1038284145 /nfs/dbraw/zinc/28/41/45/1038284145.db2.gz UXUPOGROPLLFCM-MRXNPFEDSA-N 1 0 371.481 2.981 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001236811713 1038286394 /nfs/dbraw/zinc/28/63/94/1038286394.db2.gz SHTXQFWKCOSBCX-NRFANRHFSA-N 1 0 352.434 2.829 20 10 FFCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@H]21 ZINC001236833246 1038296471 /nfs/dbraw/zinc/29/64/71/1038296471.db2.gz UEGVOYDSUHBVQB-AQNXPRMDSA-N 1 0 368.477 2.764 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001278023113 1038330573 /nfs/dbraw/zinc/33/05/73/1038330573.db2.gz LABIBRCOKMYMJA-VOJFVSQTSA-N 1 0 368.836 2.587 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001237063439 1038430422 /nfs/dbraw/zinc/43/04/22/1038430422.db2.gz QJENBYKXKGQXFR-INIZCTEOSA-N 1 0 374.403 2.630 20 10 FFCDRO COc1cc(O)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC001237070340 1038433242 /nfs/dbraw/zinc/43/32/42/1038433242.db2.gz MHBWTMLAVIFKTB-INIZCTEOSA-N 1 0 355.276 2.691 20 10 FFCDRO O=C1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)Cc2ccc(Cl)cc21 ZINC001237188580 1038470934 /nfs/dbraw/zinc/47/09/34/1038470934.db2.gz QHPGKVOPTSIYNR-UHFFFAOYSA-N 1 0 355.869 2.948 20 10 FFCDRO C[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001278623388 1038916029 /nfs/dbraw/zinc/91/60/29/1038916029.db2.gz ISGBWYNVLCNIAG-OAQYLSRUSA-N 1 0 361.505 2.970 20 10 FFCDRO Oc1cc2ccccc2cc1C[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001251638029 1039221319 /nfs/dbraw/zinc/22/13/19/1039221319.db2.gz MHLJRYKSTXRWQK-AWEZNQCLSA-N 1 0 361.335 2.913 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(N(C)C)cc2F)[NH+](C)C)cc1 ZINC001537484554 1070193160 /nfs/dbraw/zinc/19/31/60/1070193160.db2.gz XSJBXAHVQIJYDX-FQEVSTJZSA-N 1 0 372.488 2.990 20 10 FFCDRO C[C@H](O)C[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccc(O)cc2)C1 ZINC001251962658 1039382652 /nfs/dbraw/zinc/38/26/52/1039382652.db2.gz JQQBZQZXBDAUOD-ZBEGNZNMSA-N 1 0 363.841 2.828 20 10 FFCDRO CCOC(=O)CC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001258499288 1039403753 /nfs/dbraw/zinc/40/37/53/1039403753.db2.gz JKMCPWNDUCRFFG-HNNXBMFYSA-N 1 0 350.459 2.558 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CCOCC2)c1O ZINC001276684084 1039546834 /nfs/dbraw/zinc/54/68/34/1039546834.db2.gz WDVLJJCLXLETRZ-RTBURBONSA-N 1 0 358.482 2.693 20 10 FFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c(C)c1 ZINC001259100758 1039714019 /nfs/dbraw/zinc/71/40/19/1039714019.db2.gz NBWMSYGZXTXRST-UHFFFAOYSA-N 1 0 359.495 2.856 20 10 FFCDRO CCCC[C@H](CC)COC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253023845 1039925098 /nfs/dbraw/zinc/92/50/98/1039925098.db2.gz WXMCUXVOGIOLIC-GOEBONIOSA-N 1 0 355.475 2.529 20 10 FFCDRO Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001259490166 1040056283 /nfs/dbraw/zinc/05/62/83/1040056283.db2.gz WPBJSOWQJHVGTL-UHFFFAOYSA-N 1 0 363.458 2.687 20 10 FFCDRO Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001259637187 1040125501 /nfs/dbraw/zinc/12/55/01/1040125501.db2.gz GRTCHGQWHXRGLI-UHFFFAOYSA-N 1 0 363.458 2.687 20 10 FFCDRO C[N@H+](Cc1cnn2ccc(Cl)nc12)Cc1ccc(N2CCOCC2)cc1 ZINC001248876627 1040488856 /nfs/dbraw/zinc/48/88/56/1040488856.db2.gz ZGDDADAUQKRSGC-UHFFFAOYSA-N 1 0 371.872 2.851 20 10 FFCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001254018098 1040521501 /nfs/dbraw/zinc/52/15/01/1040521501.db2.gz DBSPLCMABASLJF-LJQANCHMSA-N 1 0 371.504 2.820 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c(O)c1 ZINC001249216470 1040630912 /nfs/dbraw/zinc/63/09/12/1040630912.db2.gz AKOBNIUEZCNJTE-UHFFFAOYSA-N 1 0 358.413 2.569 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c(O)c1 ZINC001249726173 1040965294 /nfs/dbraw/zinc/96/52/94/1040965294.db2.gz XVWNSAVHAJKQJD-HXUWFJFHSA-N 1 0 365.470 2.851 20 10 FFCDRO O=C(NCc1ccc(F)cc1)N1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001278552239 1041117629 /nfs/dbraw/zinc/11/76/29/1041117629.db2.gz RYYUMIXQCQKOHM-UHFFFAOYSA-N 1 0 355.413 2.559 20 10 FFCDRO Cc1cccc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001255054271 1041120882 /nfs/dbraw/zinc/12/08/82/1041120882.db2.gz XEAKFVLGHCLCRW-ALOPSCKCSA-N 1 0 362.470 2.957 20 10 FFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001278568904 1041207599 /nfs/dbraw/zinc/20/75/99/1041207599.db2.gz KFTKNVJHGFATJX-UHFFFAOYSA-N 1 0 354.878 2.564 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(C)C)c1O ZINC001261553494 1041306941 /nfs/dbraw/zinc/30/69/41/1041306941.db2.gz CDCIKFWLZLANLG-JTQLQIEISA-N 1 0 359.264 2.586 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC001261840167 1041441661 /nfs/dbraw/zinc/44/16/61/1041441661.db2.gz ZEDRCEVZSRDADE-INIZCTEOSA-N 1 0 361.873 2.544 20 10 FFCDRO C[NH+]1CCN(c2cccc(-c3noc(-c4cccc(O)c4O)n3)c2)CC1 ZINC001215145892 1041679027 /nfs/dbraw/zinc/67/90/27/1041679027.db2.gz POLIUZHHZPWHER-UHFFFAOYSA-N 1 0 352.394 2.567 20 10 FFCDRO COC(C)(C)C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276726855 1041852393 /nfs/dbraw/zinc/85/23/93/1041852393.db2.gz CCVDSAIIDBEOIB-OAQYLSRUSA-N 1 0 359.514 2.602 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001263160701 1042140676 /nfs/dbraw/zinc/14/06/76/1042140676.db2.gz KWKVSXZKFVTHIG-UIFIKXQLSA-N 1 0 371.525 2.575 20 10 FFCDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCOCC2)c(C)n1-c1ccccc1C ZINC001263238231 1042192694 /nfs/dbraw/zinc/19/26/94/1042192694.db2.gz FXMLUEQKDDAIKE-UHFFFAOYSA-N 1 0 355.482 2.982 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001279128100 1042910588 /nfs/dbraw/zinc/91/05/88/1042910588.db2.gz JBHPGZWVJWUVSH-OALUTQOASA-N 1 0 362.514 2.959 20 10 FFCDRO Oc1ccc(F)cc1CN1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001279197332 1042942076 /nfs/dbraw/zinc/94/20/76/1042942076.db2.gz RBKZHLTYCDUSKT-FQEVSTJZSA-N 1 0 358.461 2.716 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001279221295 1042950536 /nfs/dbraw/zinc/95/05/36/1042950536.db2.gz RJBJFBJEYUXOBF-QYZOEREBSA-N 1 0 354.450 2.795 20 10 FFCDRO CC(C)NC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001279225248 1042951951 /nfs/dbraw/zinc/95/19/51/1042951951.db2.gz ASZCFEUTUHEDDK-FQEVSTJZSA-N 1 0 361.486 2.894 20 10 FFCDRO c1n[nH]cc1C[N@H+]1CCC2(CN(Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001279230395 1042956114 /nfs/dbraw/zinc/95/61/14/1042956114.db2.gz FQXXAJZSMKNUTB-UHFFFAOYSA-N 1 0 351.498 2.718 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001279231903 1042956971 /nfs/dbraw/zinc/95/69/71/1042956971.db2.gz XZVJYHUPZPUIJO-SFTDATJTSA-N 1 0 359.514 2.556 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3C(=O)Nc3cccnc3)C2)c1O ZINC001279234727 1042958490 /nfs/dbraw/zinc/95/84/90/1042958490.db2.gz HTUBHQBCDKFHJU-UHFFFAOYSA-N 1 0 352.438 2.896 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)c(Cl)c1 ZINC001279334040 1043008446 /nfs/dbraw/zinc/00/84/46/1043008446.db2.gz YZFYDWOXNJUFRQ-FXAWDEMLSA-N 1 0 373.932 2.809 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c(O)c1 ZINC001279338687 1043011516 /nfs/dbraw/zinc/01/15/16/1043011516.db2.gz ORLCNSGELRVGCB-IYBDPMFKSA-N 1 0 358.404 2.928 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001237214121 1043055420 /nfs/dbraw/zinc/05/54/20/1043055420.db2.gz CKIZJRHYXBGVNJ-PXNSSMCTSA-N 1 0 350.503 2.584 20 10 FFCDRO CCOc1cccc(CN2CC[NH2+]C[C@H]2c2cccc(C(=O)OC)c2)c1O ZINC001237435477 1043159917 /nfs/dbraw/zinc/15/99/17/1043159917.db2.gz HRSQFWDCOUPRAH-SFHVURJKSA-N 1 0 370.449 2.724 20 10 FFCDRO COc1cc(CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)c(O)c(OC)c1 ZINC001237672839 1043303354 /nfs/dbraw/zinc/30/33/54/1043303354.db2.gz JYZWJGMLCWRUNS-UHFFFAOYSA-N 1 0 369.465 2.512 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237674440 1043303518 /nfs/dbraw/zinc/30/35/18/1043303518.db2.gz HOQCKEUAUHMXHE-ZBEGNZNMSA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c(OC)c1 ZINC001237677429 1043305099 /nfs/dbraw/zinc/30/50/99/1043305099.db2.gz BKBKZCNIGXQWHB-IBGZPJMESA-N 1 0 354.450 2.824 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237681138 1043306892 /nfs/dbraw/zinc/30/68/92/1043306892.db2.gz PBHCDBIBUSGRPA-DOMZBBRYSA-N 1 0 366.458 2.754 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC(=O)CO3)CC2)cc1Br ZINC001237682651 1043308595 /nfs/dbraw/zinc/30/85/95/1043308595.db2.gz ZQECIDXCZASQJF-UHFFFAOYSA-N 1 0 354.244 2.787 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3ccnc(OC)c3)CC2)c(O)c(OC)c1 ZINC001237683052 1043309762 /nfs/dbraw/zinc/30/97/62/1043309762.db2.gz DTWPDUYTHMKUDD-UHFFFAOYSA-N 1 0 374.437 2.856 20 10 FFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(Br)c(C)cc2O)C1 ZINC001237687096 1043312727 /nfs/dbraw/zinc/31/27/27/1043312727.db2.gz ZIQFYRUNJVHUDK-AWEZNQCLSA-N 1 0 355.276 2.906 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(I)c3O)C[C@@H]21 ZINC001237784771 1043354832 /nfs/dbraw/zinc/35/48/32/1043354832.db2.gz YTJHLRKVNVIUFE-RISCZKNCSA-N 1 0 372.250 2.523 20 10 FFCDRO C[N@@H+]1CCN(Cc2cccc(I)c2O)CC1(C)C ZINC001237784171 1043354997 /nfs/dbraw/zinc/35/49/97/1043354997.db2.gz RVTCETGCRREVMV-UHFFFAOYSA-N 1 0 360.239 2.523 20 10 FFCDRO O=C(COC1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1)N1CCCC1 ZINC001237801981 1043366466 /nfs/dbraw/zinc/36/64/66/1043366466.db2.gz JQKNKUKXEDFOTJ-UHFFFAOYSA-N 1 0 370.852 2.788 20 10 FFCDRO COc1cc(C)c(C[NH+]2CC3(CN(Cc4scnc4C)C3)C2)c(O)c1 ZINC001279668042 1043434912 /nfs/dbraw/zinc/43/49/12/1043434912.db2.gz UCTJIHKAKFPQRU-UHFFFAOYSA-N 1 0 359.495 2.792 20 10 FFCDRO COc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(O)cc1Br ZINC001279671664 1043441227 /nfs/dbraw/zinc/44/12/27/1043441227.db2.gz CPBBHEWMELHUNV-BETUJISGSA-N 1 0 369.303 2.937 20 10 FFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)c(OC)cc1O ZINC001279707230 1043502662 /nfs/dbraw/zinc/50/26/62/1043502662.db2.gz YQJPVNKYAGIEDR-YHWZYXNKSA-N 1 0 355.276 2.878 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Br ZINC001279707037 1043502760 /nfs/dbraw/zinc/50/27/60/1043502760.db2.gz VOMJJIKEBRUKRS-BETUJISGSA-N 1 0 369.303 2.937 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001238061360 1043509018 /nfs/dbraw/zinc/50/90/18/1043509018.db2.gz LXHDXKCSBIBJOU-NQIIRXRSSA-N 1 0 354.425 2.945 20 10 FFCDRO CCOc1ccc(N2CCC[C@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)cc1 ZINC001279732168 1043547749 /nfs/dbraw/zinc/54/77/49/1043547749.db2.gz WROFELCILLGVIU-NRFANRHFSA-N 1 0 359.514 2.856 20 10 FFCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c(OC)c1 ZINC001279759076 1043597230 /nfs/dbraw/zinc/59/72/30/1043597230.db2.gz NQHNXUJKXJFABJ-NRFANRHFSA-N 1 0 361.530 2.948 20 10 FFCDRO Cc1cccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[O-])c1C ZINC000756382213 1043600107 /nfs/dbraw/zinc/60/01/07/1043600107.db2.gz JIZGBVDWSDCWRH-OAQYLSRUSA-N 1 0 367.493 2.971 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000756380122 1043600355 /nfs/dbraw/zinc/60/03/55/1043600355.db2.gz DYXDQIQVCJQHJH-UXHICEINSA-N 1 0 359.514 2.952 20 10 FFCDRO O=C(NCCc1ccccn1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279982564 1044031004 /nfs/dbraw/zinc/03/10/04/1044031004.db2.gz SWEPSQGYLNSIDC-FOIQADDNSA-N 1 0 371.868 2.621 20 10 FFCDRO C[C@H]1[C@H](NC(=O)NCc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001312816164 1044174519 /nfs/dbraw/zinc/17/45/19/1044174519.db2.gz OYGFGSFVEVUKHM-KBXCAEBGSA-N 1 0 357.429 2.994 20 10 FFCDRO CC[C@@H]1CO[C@@H](C)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313409303 1044348311 /nfs/dbraw/zinc/34/83/11/1044348311.db2.gz CFPUDLKAJJZHMK-WDYCEAGBSA-N 1 0 362.518 2.564 20 10 FFCDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2cn[nH]c2)c1O ZINC001280345555 1044633895 /nfs/dbraw/zinc/63/38/95/1044633895.db2.gz ABMDIEZVPHBGFJ-IDCJVQTKSA-N 1 0 354.454 2.875 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3nnco3)CC2)c1O ZINC001280347033 1044635515 /nfs/dbraw/zinc/63/55/15/1044635515.db2.gz YLRDZELIEKQSSV-OAHLLOKOSA-N 1 0 356.426 2.633 20 10 FFCDRO COc1cc(C)nc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816505710 1044739521 /nfs/dbraw/zinc/73/95/21/1044739521.db2.gz FHEFYMXJQXMYSB-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319823528 1045278835 /nfs/dbraw/zinc/27/88/35/1045278835.db2.gz OIBLJVGSQJBXKU-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc2c[nH+]cn21 ZINC001320259548 1045377225 /nfs/dbraw/zinc/37/72/25/1045377225.db2.gz DTVITTLKHFTBIK-HNNXBMFYSA-N 1 0 364.449 2.970 20 10 FFCDRO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320497638 1045418914 /nfs/dbraw/zinc/41/89/14/1045418914.db2.gz KHPHQNKCZVZAMY-HXUWFJFHSA-N 1 0 354.498 2.966 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1(CO)CCC1 ZINC001324113994 1045871753 /nfs/dbraw/zinc/87/17/53/1045871753.db2.gz SSYMTRIOHWUMHB-HXUWFJFHSA-N 1 0 363.521 2.854 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CC(=O)[O-])c3ccsc3)cc2)CC1 ZINC001326322763 1046874094 /nfs/dbraw/zinc/87/40/94/1046874094.db2.gz DQRBHVJOAMSEES-SFHVURJKSA-N 1 0 359.495 2.806 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccc(F)cc1 ZINC001326531406 1046970651 /nfs/dbraw/zinc/97/06/51/1046970651.db2.gz MPEDTUWEHKPKLO-IBGZPJMESA-N 1 0 373.472 2.810 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001329746797 1048888857 /nfs/dbraw/zinc/88/88/57/1048888857.db2.gz ZESDGAZFPFQGCQ-GBJTYRQASA-N 1 0 352.500 2.699 20 10 FFCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1CN(S(C)(=O)=O)C1 ZINC001333873333 1049153348 /nfs/dbraw/zinc/15/33/48/1049153348.db2.gz JZJWCGWZXKCLBZ-INIZCTEOSA-N 1 0 374.506 2.847 20 10 FFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(O)c(O)c1 ZINC001294026862 1049672980 /nfs/dbraw/zinc/67/29/80/1049672980.db2.gz ZVJWBFFYIGXGKY-SFHVURJKSA-N 1 0 354.450 2.621 20 10 FFCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(O)c(O)c1 ZINC001294026861 1049673216 /nfs/dbraw/zinc/67/32/16/1049673216.db2.gz ZVJWBFFYIGXGKY-GOSISDBHSA-N 1 0 354.450 2.621 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001341629343 1050255744 /nfs/dbraw/zinc/25/57/44/1050255744.db2.gz DCIJMLMJJMTSQD-JBACZVJFSA-N 1 0 371.525 2.792 20 10 FFCDRO C[NH2+]CCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001341676585 1050299660 /nfs/dbraw/zinc/29/96/60/1050299660.db2.gz GPYPEANPBOBVDW-UHFFFAOYSA-N 1 0 355.429 2.763 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)[NH+](C)C)cc1 ZINC001340611149 1050993492 /nfs/dbraw/zinc/99/34/92/1050993492.db2.gz SSOCTHUPIXXIHJ-YSTOQKLRSA-N 1 0 374.529 2.612 20 10 FFCDRO C[C@@H]1CC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC001343038595 1051654360 /nfs/dbraw/zinc/65/43/60/1051654360.db2.gz GNTJWFPMTZBUIH-CLCXKQKWSA-N 1 0 362.518 2.611 20 10 FFCDRO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC(C)(C)O1 ZINC001307423076 1052306025 /nfs/dbraw/zinc/30/60/25/1052306025.db2.gz BDSGRYVEZGFJOD-MRXNPFEDSA-N 1 0 359.514 2.743 20 10 FFCDRO COC(=O)c1cnc(CN(Cc2ccco2)Cc2ccccc2O)cn1 ZINC001307567623 1052321746 /nfs/dbraw/zinc/32/17/46/1052321746.db2.gz SQWXBEVMYVNYDV-UHFFFAOYSA-N 1 0 353.378 2.764 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC001308290756 1052442377 /nfs/dbraw/zinc/44/23/77/1052442377.db2.gz XOGUYISRMXMLAR-DYESRHJHSA-N 1 0 365.477 2.807 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1O ZINC001308619333 1052477053 /nfs/dbraw/zinc/47/70/53/1052477053.db2.gz NCXKNGIGSPGGCU-UHFFFAOYSA-N 1 0 373.541 2.767 20 10 FFCDRO CC(C)c1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC001308882554 1052512500 /nfs/dbraw/zinc/51/25/00/1052512500.db2.gz JRHHYRRPKSJAFR-RBUKOAKNSA-N 1 0 353.466 2.866 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccnc(-c3ccccn3)n2)c(O)c1OC ZINC001308917738 1052518606 /nfs/dbraw/zinc/51/86/06/1052518606.db2.gz HATRJRGGBOEQHN-UHFFFAOYSA-N 1 0 352.394 2.551 20 10 FFCDRO Nc1ccc(CCNC(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC001335552445 1053430609 /nfs/dbraw/zinc/43/06/09/1053430609.db2.gz YDDQXRFEJHLYSH-UHFFFAOYSA-N 1 0 352.482 2.513 20 10 FFCDRO Nc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001335736753 1053531597 /nfs/dbraw/zinc/53/15/97/1053531597.db2.gz HVHUHNUHINPCMA-KDURUIRLSA-N 1 0 350.466 2.542 20 10 FFCDRO CC1(C)[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]2CCC[NH2+][C@H]21 ZINC001337007182 1054406846 /nfs/dbraw/zinc/40/68/46/1054406846.db2.gz LVGKUWMVEXTBMP-ZTFGCOKTSA-N 1 0 370.522 2.823 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001337025503 1054418970 /nfs/dbraw/zinc/41/89/70/1054418970.db2.gz JSWLFPFOJXLHLA-UHFFFAOYSA-N 1 0 352.482 2.995 20 10 FFCDRO O=C(NCc1cccc(O)c1O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001349077044 1055079553 /nfs/dbraw/zinc/07/95/53/1055079553.db2.gz BXUNNFWGHUULJN-GOSISDBHSA-N 1 0 354.450 2.669 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(CC)c3O)CC2)nc1 ZINC000848882052 1055297990 /nfs/dbraw/zinc/29/79/90/1055297990.db2.gz XMMFRDDPWMHCFM-UHFFFAOYSA-N 1 0 369.465 2.849 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)C1 ZINC000849017235 1055527011 /nfs/dbraw/zinc/52/70/11/1055527011.db2.gz OCPACXNRXAEGDN-INIZCTEOSA-N 1 0 351.454 2.525 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC001353605298 1056572411 /nfs/dbraw/zinc/57/24/11/1056572411.db2.gz RCEPPHRMOLWPBM-OAHLLOKOSA-N 1 0 370.287 2.827 20 10 FFCDRO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000849230061 1056803866 /nfs/dbraw/zinc/80/38/66/1056803866.db2.gz AASZQPUPBNFQMM-UTKZUKDTSA-N 1 0 367.493 2.785 20 10 FFCDRO CN1CCc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2C1=O ZINC000849347368 1056835707 /nfs/dbraw/zinc/83/57/07/1056835707.db2.gz FWQBRFBPAPFKSY-UHFFFAOYSA-N 1 0 364.493 2.679 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001091151514 1056979386 /nfs/dbraw/zinc/97/93/86/1056979386.db2.gz CKIIAILHWJOHSQ-GAQDBVNISA-N 1 0 372.509 2.803 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2F)C[C@H](C)O1 ZINC001544677544 1071676645 /nfs/dbraw/zinc/67/66/45/1071676645.db2.gz UROOJILDXDKFPM-DOXZYTNZSA-N 1 0 363.477 2.540 20 10 FFCDRO C[NH+](C)C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001449168335 1058868583 /nfs/dbraw/zinc/86/85/83/1058868583.db2.gz UWNSHGYYANYEIV-HNNXBMFYSA-N 1 0 362.857 2.755 20 10 FFCDRO C[NH+](C)C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001449168337 1058869169 /nfs/dbraw/zinc/86/91/69/1058869169.db2.gz UWNSHGYYANYEIV-OAHLLOKOSA-N 1 0 362.857 2.755 20 10 FFCDRO Cc1cc(CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001451750960 1059142163 /nfs/dbraw/zinc/14/21/63/1059142163.db2.gz WLYPIFSEFYANMU-QZTJIDSGSA-N 1 0 369.509 2.550 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C2CC2)cc1 ZINC001519930510 1059208913 /nfs/dbraw/zinc/20/89/13/1059208913.db2.gz KETGEPYQFFKQQE-DBVUQKKJSA-N 1 0 356.514 2.767 20 10 FFCDRO CC[C@@H](C)n1nccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001355035166 1059802228 /nfs/dbraw/zinc/80/22/28/1059802228.db2.gz KRXZJPIOSVQRQX-MRXNPFEDSA-N 1 0 355.486 2.536 20 10 FFCDRO COCCOC[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001355245067 1060032526 /nfs/dbraw/zinc/03/25/26/1060032526.db2.gz ZSBUZSOQYBMBTF-AWEZNQCLSA-N 1 0 358.429 2.898 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)cc1OC ZINC000848494930 1060158936 /nfs/dbraw/zinc/15/89/36/1060158936.db2.gz WFUNABRMEYWJNS-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CN(C[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O)CC(F)(F)F ZINC001459732988 1060803193 /nfs/dbraw/zinc/80/31/93/1060803193.db2.gz CPHNLSVBQBZUBY-OAHLLOKOSA-N 1 0 372.387 2.842 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC001461076548 1061202415 /nfs/dbraw/zinc/20/24/15/1061202415.db2.gz ZLIXMUWNYHLUFO-UHFFFAOYSA-N 1 0 350.466 2.935 20 10 FFCDRO C[C@H]1[C@@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@@H+]1C ZINC001476769046 1061474919 /nfs/dbraw/zinc/47/49/19/1061474919.db2.gz YVADZATWEKSPHH-KBPBESRZSA-N 1 0 350.426 2.610 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3cccc(O)c3O)cc2)CC1 ZINC001528771148 1062039379 /nfs/dbraw/zinc/03/93/79/1062039379.db2.gz LHPPFGVSCKLLIF-UHFFFAOYSA-N 1 0 369.465 2.558 20 10 FFCDRO Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001361095979 1062093979 /nfs/dbraw/zinc/09/39/79/1062093979.db2.gz SPYGRVOUKPYVBW-UHFFFAOYSA-N 1 0 370.545 2.930 20 10 FFCDRO Cc1cc(CCNS(=O)(=O)CCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001464188287 1062473440 /nfs/dbraw/zinc/47/34/40/1062473440.db2.gz ZFKVOFCVKBFGQS-UHFFFAOYSA-N 1 0 363.527 2.508 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1)C1CCCCC1 ZINC001464534384 1062670865 /nfs/dbraw/zinc/67/08/65/1062670865.db2.gz ARHATTHWMOHKSI-TZIWHRDSSA-N 1 0 359.514 2.527 20 10 FFCDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001466893902 1063585693 /nfs/dbraw/zinc/58/56/93/1063585693.db2.gz GZWGASQGEAAFAE-CQSZACIVSA-N 1 0 350.426 2.612 20 10 FFCDRO CC(C)[N@H+](C)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466893757 1063586181 /nfs/dbraw/zinc/58/61/81/1063586181.db2.gz DGCFUGNTMMUPOY-UHFFFAOYSA-N 1 0 352.442 2.858 20 10 FFCDRO COc1ccccc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001467704519 1063825733 /nfs/dbraw/zinc/82/57/33/1063825733.db2.gz ONNOJXNVRMGATB-IBGZPJMESA-N 1 0 370.497 2.863 20 10 FFCDRO CC[C@H](C)[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC001470242512 1064286404 /nfs/dbraw/zinc/28/64/04/1064286404.db2.gz BIYFNKQDNLOLQY-SNRMKQJTSA-N 1 0 364.534 2.716 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nc3cnccc3s2)[NH+](C)C)cc1 ZINC001472280554 1064998024 /nfs/dbraw/zinc/99/80/24/1064998024.db2.gz GGGJCWXXZLZQJE-INIZCTEOSA-N 1 0 369.494 2.790 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1c(C)cccc1C)cc2=O ZINC001473837496 1065385762 /nfs/dbraw/zinc/38/57/62/1065385762.db2.gz OULIMDTWUYKKIT-UHFFFAOYSA-N 1 0 368.437 2.860 20 10 FFCDRO C[C@@H](NC(=O)COc1ccc(CCC[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC001576195226 1078203549 /nfs/dbraw/zinc/20/35/49/1078203549.db2.gz LFJNHNVIHCVPRQ-MRXNPFEDSA-N 1 0 355.482 2.900 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1Cn1cccn1 ZINC001473920661 1065420068 /nfs/dbraw/zinc/42/00/68/1065420068.db2.gz HHJFWZFGPWARBR-GOSISDBHSA-N 1 0 365.433 2.870 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC001473980584 1065431099 /nfs/dbraw/zinc/43/10/99/1065431099.db2.gz JIZOJLWLTIKVJP-QGZVFWFLSA-N 1 0 366.387 2.760 20 10 FFCDRO COC(=O)C1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCCC1 ZINC001474066116 1065450507 /nfs/dbraw/zinc/45/05/07/1065450507.db2.gz ZAQQPNCBDFDHED-UHFFFAOYSA-N 1 0 357.454 2.763 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001474699013 1065584749 /nfs/dbraw/zinc/58/47/49/1065584749.db2.gz GUGSUTSJGMAEDC-SVFBPWRDSA-N 1 0 373.541 2.693 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001576809452 1078277058 /nfs/dbraw/zinc/27/70/58/1078277058.db2.gz YPTHHRPHJSHMPX-LPHOPBHVSA-N 1 0 352.482 2.836 20 10 FFCDRO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001578189074 1078449145 /nfs/dbraw/zinc/44/91/45/1078449145.db2.gz BQWGINAXZYTFKT-OALUTQOASA-N 1 0 371.437 2.934 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(Cl)cncc2Cl)cc1 ZINC001578424534 1078472548 /nfs/dbraw/zinc/47/25/48/1078472548.db2.gz KPTNLIJOSWQLOW-AWEZNQCLSA-N 1 0 353.253 2.884 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C2(F)CC[NH2+]CC2)cc1 ZINC001578426177 1078473190 /nfs/dbraw/zinc/47/31/90/1078473190.db2.gz XAURRRDINLCNJD-UHFFFAOYSA-N 1 0 359.445 2.966 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001579589864 1078646751 /nfs/dbraw/zinc/64/67/51/1078646751.db2.gz OOZTVNJBLCARLK-OAQYLSRUSA-N 1 0 351.450 2.732 20 10 FFCDRO Cc1cc(CCNC(=O)C[C@H]2CSCC[NH2+]2)c(C)n1-c1ccccc1 ZINC001579592944 1078647093 /nfs/dbraw/zinc/64/70/93/1078647093.db2.gz NXGXKELEKIORGZ-SFHVURJKSA-N 1 0 357.523 2.848 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3cc(C)on3)C2)cc1C ZINC001565891487 1075895347 /nfs/dbraw/zinc/89/53/47/1075895347.db2.gz YNJPRONSCSUBMD-ZWKOTPCHSA-N 1 0 371.481 2.917 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccc(O)c2)[NH+](C)C)cc1 ZINC001558723678 1076063561 /nfs/dbraw/zinc/06/35/61/1076063561.db2.gz UKXGZSMKBRLFEH-ZTVSIKPCSA-N 1 0 353.466 2.891 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3cn4ccccc4n3)cc2F)CC1 ZINC001560258780 1076256917 /nfs/dbraw/zinc/25/69/17/1076256917.db2.gz BGUCGHZEIIIANT-UHFFFAOYSA-N 1 0 367.472 2.558 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC001560290931 1076261205 /nfs/dbraw/zinc/26/12/05/1076261205.db2.gz VHGGUIXZURMZEF-UHFFFAOYSA-N 1 0 359.445 2.870 20 10 FFCDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001560353070 1076266454 /nfs/dbraw/zinc/26/64/54/1076266454.db2.gz ZNKZAGDCTWOMKD-CQSZACIVSA-N 1 0 360.477 2.733 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc2ccccc2c1O ZINC000359958871 210201025 /nfs/dbraw/zinc/20/10/25/210201025.db2.gz LENBHOJQVJWIRR-MJGOQNOKSA-N 1 0 369.509 2.603 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC000359871914 210194186 /nfs/dbraw/zinc/19/41/86/210194186.db2.gz KHZKIGMPSMKDEF-UHFFFAOYSA-N 1 0 370.243 2.692 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000377233465 512178611 /nfs/dbraw/zinc/17/86/11/512178611.db2.gz SULJIQHZCGXEDO-MRXNPFEDSA-N 1 0 368.412 2.903 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073046647 507888645 /nfs/dbraw/zinc/88/86/45/507888645.db2.gz WTOBFJDOEHEXMA-UHFFFAOYSA-N 1 0 374.529 2.541 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000090232096 507916111 /nfs/dbraw/zinc/91/61/11/507916111.db2.gz NUZKLDYLBXONGH-HNNXBMFYSA-N 1 0 365.543 2.750 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1O ZINC000074168740 507994574 /nfs/dbraw/zinc/99/45/74/507994574.db2.gz JSISIHKNBOUJGR-OAHLLOKOSA-N 1 0 357.454 2.721 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157214962 508538450 /nfs/dbraw/zinc/53/84/50/508538450.db2.gz RAOPFHDVYADIKP-NRFANRHFSA-N 1 0 372.557 2.661 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000128097539 508546543 /nfs/dbraw/zinc/54/65/43/508546543.db2.gz VDNFDLFVDSIGOZ-KRWDZBQOSA-N 1 0 353.470 2.568 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(N(C)C)cc1 ZINC000371482296 512428053 /nfs/dbraw/zinc/42/80/53/512428053.db2.gz YGDXVZIWSKFFLN-RIFZZMRRSA-N 1 0 358.486 2.514 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000155666174 509049022 /nfs/dbraw/zinc/04/90/22/509049022.db2.gz SNKJPOQNEORIGF-FQEVSTJZSA-N 1 0 354.498 2.833 20 10 FFCDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000152002268 509127025 /nfs/dbraw/zinc/12/70/25/509127025.db2.gz INICQAKZUBFIPX-SFHVURJKSA-N 1 0 372.557 2.928 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccc(N(C)C)cc1 ZINC000133185272 509129021 /nfs/dbraw/zinc/12/90/21/509129021.db2.gz XHBYATXLPLOVLQ-SFHVURJKSA-N 1 0 353.532 2.607 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000191807546 509192587 /nfs/dbraw/zinc/19/25/87/509192587.db2.gz JIJNAIFWPDNQGA-SFHVURJKSA-N 1 0 354.450 2.990 20 10 FFCDRO COc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1O ZINC000176495867 509544111 /nfs/dbraw/zinc/54/41/11/509544111.db2.gz AEBWEMHGOPBXTQ-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1O ZINC000179647370 509554029 /nfs/dbraw/zinc/55/40/29/509554029.db2.gz IWXWZJJLNULXDJ-MRXNPFEDSA-N 1 0 367.449 2.897 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000179663874 509562541 /nfs/dbraw/zinc/56/25/41/509562541.db2.gz XRFOVFLMBMICEP-UHFFFAOYSA-N 1 0 356.451 2.728 20 10 FFCDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000237690120 509711594 /nfs/dbraw/zinc/71/15/94/509711594.db2.gz NPGJVMSRZKAALJ-UTKZUKDTSA-N 1 0 367.493 2.818 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174283701 510038937 /nfs/dbraw/zinc/03/89/37/510038937.db2.gz NZEPRGUVYCNXPK-LJQANCHMSA-N 1 0 354.498 2.690 20 10 FFCDRO Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(OCC[NH+](C)C)c1 ZINC000180800820 510116567 /nfs/dbraw/zinc/11/65/67/510116567.db2.gz NNMKFURJERQEFZ-RMKNXTFCSA-N 1 0 356.422 2.999 20 10 FFCDRO Cn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000171379683 510117589 /nfs/dbraw/zinc/11/75/89/510117589.db2.gz ZVLSEMAMNBPRBQ-UHFFFAOYSA-N 1 0 354.376 2.565 20 10 FFCDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000268902590 510125935 /nfs/dbraw/zinc/12/59/35/510125935.db2.gz LIGYCKUASFMTMP-ZDUSSCGKSA-N 1 0 363.399 2.807 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000177815507 510269117 /nfs/dbraw/zinc/26/91/17/510269117.db2.gz FASTWYNMSIDYFP-QOVIISODSA-N 1 0 369.509 2.622 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187548943 510326624 /nfs/dbraw/zinc/32/66/24/510326624.db2.gz RXTYQXHFPQEYCU-NRFANRHFSA-N 1 0 355.434 2.963 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c1 ZINC000266174646 510447329 /nfs/dbraw/zinc/44/73/29/510447329.db2.gz SMTORBUSSTVXEM-IBGZPJMESA-N 1 0 367.449 2.719 20 10 FFCDRO CCOc1cc(C[NH2+]Cc2ccccc2O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000263655793 510770828 /nfs/dbraw/zinc/77/08/28/510770828.db2.gz FZFNRVGGPYSZDG-HNNXBMFYSA-N 1 0 372.465 2.936 20 10 FFCDRO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834020 510795971 /nfs/dbraw/zinc/79/59/71/510795971.db2.gz COSLAXAQPFCMGR-OAHLLOKOSA-N 1 0 367.440 2.763 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1O ZINC000182193752 510807666 /nfs/dbraw/zinc/80/76/66/510807666.db2.gz KJXMEEHUYHLRMA-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccnc3C)cc2F)CC1 ZINC000285493557 510928962 /nfs/dbraw/zinc/92/89/62/510928962.db2.gz PMUOXKXZCFTUII-UHFFFAOYSA-N 1 0 370.472 2.530 20 10 FFCDRO COc1cccc(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1O ZINC000276243559 510930576 /nfs/dbraw/zinc/93/05/76/510930576.db2.gz KQHYTWMDFHLECA-UHFFFAOYSA-N 1 0 357.454 2.504 20 10 FFCDRO COc1c([O-])c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000278501757 510995276 /nfs/dbraw/zinc/99/52/76/510995276.db2.gz NYPKRJLUNWKMLL-UHFFFAOYSA-N 1 0 372.425 2.710 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1O ZINC000287027181 511038597 /nfs/dbraw/zinc/03/85/97/511038597.db2.gz LOGLECYGJUGYJS-UONOGXRCSA-N 1 0 366.508 2.958 20 10 FFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287457169 511050679 /nfs/dbraw/zinc/05/06/79/511050679.db2.gz NAFCVKXVWNYWMS-YLJYHZDGSA-N 1 0 354.498 2.831 20 10 FFCDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000289701149 511110148 /nfs/dbraw/zinc/11/01/48/511110148.db2.gz IPTCCUVFFWUQJT-GFCCVEGCSA-N 1 0 350.463 2.716 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1O ZINC000362104673 511131772 /nfs/dbraw/zinc/13/17/72/511131772.db2.gz DTRSMTLDTKIUOR-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000294683384 511141379 /nfs/dbraw/zinc/14/13/79/511141379.db2.gz ACJULFWDJYPADL-KRWDZBQOSA-N 1 0 357.454 2.531 20 10 FFCDRO O=C([C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCCC1 ZINC000290570091 511145719 /nfs/dbraw/zinc/14/57/19/511145719.db2.gz SZQAADLITKLHIR-LBPRGKRZSA-N 1 0 353.260 2.599 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1CCS(=O)(=O)CC1 ZINC000271351497 511174387 /nfs/dbraw/zinc/17/43/87/511174387.db2.gz YRGSLXGMHWDGGJ-UHFFFAOYSA-N 1 0 350.528 2.934 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000362642264 511209487 /nfs/dbraw/zinc/20/94/87/511209487.db2.gz RYYFXRKRIRKAMS-CZUORRHYSA-N 1 0 372.259 2.591 20 10 FFCDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272165660 511452267 /nfs/dbraw/zinc/45/22/67/511452267.db2.gz VZRAMXHIUOOEQO-BLLLJJGKSA-N 1 0 356.392 2.587 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273371125 511522640 /nfs/dbraw/zinc/52/26/40/511522640.db2.gz CMJRSBHWXFWGPW-YJYMSZOUSA-N 1 0 367.449 2.890 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000273696180 511577519 /nfs/dbraw/zinc/57/75/19/511577519.db2.gz CJKMSGNHJXRPKC-HOTGVXAUSA-N 1 0 351.830 2.628 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000280809253 511610717 /nfs/dbraw/zinc/61/07/17/511610717.db2.gz JBJBAUCEAYOAEO-AVGNSLFASA-N 1 0 358.276 2.759 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284150343 511623945 /nfs/dbraw/zinc/62/39/45/511623945.db2.gz PKLRVBSRAAGASV-SFHVURJKSA-N 1 0 350.528 2.934 20 10 FFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccccc1O ZINC000299456158 511643334 /nfs/dbraw/zinc/64/33/34/511643334.db2.gz AOHLTHYORAGBLZ-UHFFFAOYSA-N 1 0 354.454 2.774 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncccc3[N+](=O)[O-])cc2F)CC1 ZINC000301179787 511689162 /nfs/dbraw/zinc/68/91/62/511689162.db2.gz HJGFMISQZMEUOI-UHFFFAOYSA-N 1 0 359.405 2.883 20 10 FFCDRO COc1ccc(N2CCC(Nc3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1 ZINC000301843916 511703668 /nfs/dbraw/zinc/70/36/68/511703668.db2.gz RXKYUEZCLFTPHT-UHFFFAOYSA-N 1 0 368.397 2.727 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296413807 511734030 /nfs/dbraw/zinc/73/40/30/511734030.db2.gz LBIXMOFELRKJOT-BDAKNGLRSA-N 1 0 355.287 2.677 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccccc1O ZINC000284502425 511747585 /nfs/dbraw/zinc/74/75/85/511747585.db2.gz ATSDLGFANCUFTE-GQWAEJPESA-N 1 0 354.454 2.671 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284867283 511905578 /nfs/dbraw/zinc/90/55/78/511905578.db2.gz DLAGVRFSUOZHRW-KGLIPLIRSA-N 1 0 360.292 2.711 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1O ZINC000284887066 511914236 /nfs/dbraw/zinc/91/42/36/511914236.db2.gz QXRDRXSNDSFNLL-RHSMWYFYSA-N 1 0 362.861 2.539 20 10 FFCDRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC000297073645 512008953 /nfs/dbraw/zinc/00/89/53/512008953.db2.gz VNYDEHJOYKWTPB-UHFFFAOYSA-N 1 0 355.482 2.589 20 10 FFCDRO O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000369763460 512596289 /nfs/dbraw/zinc/59/62/89/512596289.db2.gz OUVZGHJPLJCYLL-UHFFFAOYSA-N 1 0 368.389 2.636 20 10 FFCDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C[C@@H](C)O2 ZINC000373979546 512604150 /nfs/dbraw/zinc/60/41/50/512604150.db2.gz XXXAYBUOQTUQDM-OPYAIIAOSA-N 1 0 360.498 2.682 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369859033 512651321 /nfs/dbraw/zinc/65/13/21/512651321.db2.gz LUPHVXLSYVNDOB-WOJBJXKFSA-N 1 0 374.529 2.536 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OC ZINC000374183108 512697736 /nfs/dbraw/zinc/69/77/36/512697736.db2.gz LDJNEVWFPPGRBE-YOEHRIQHSA-N 1 0 370.449 2.689 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000378461414 512772614 /nfs/dbraw/zinc/77/26/14/512772614.db2.gz YUFPMUQYRRNLLQ-GOEBONIOSA-N 1 0 356.260 2.891 20 10 FFCDRO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)n1 ZINC000378522545 512805447 /nfs/dbraw/zinc/80/54/47/512805447.db2.gz SPMJLJRZFMDGBR-INIZCTEOSA-N 1 0 374.872 2.847 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1O ZINC000374777452 512997386 /nfs/dbraw/zinc/99/73/86/512997386.db2.gz GSEAXLIGOBRMKA-CQSZACIVSA-N 1 0 358.442 2.852 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@H]2CCOC2)C1 ZINC000436049452 513745069 /nfs/dbraw/zinc/74/50/69/513745069.db2.gz JCVCOOLKCWUTTL-KRWDZBQOSA-N 1 0 369.509 2.951 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccncn2)C1 ZINC000578187970 519463836 /nfs/dbraw/zinc/46/38/36/519463836.db2.gz JGESIBCHLDVDRG-UHFFFAOYSA-N 1 0 363.465 2.514 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942194 521799170 /nfs/dbraw/zinc/79/91/70/521799170.db2.gz SFFRHSNTAAJSEJ-UHFFFAOYSA-N 1 0 368.437 2.666 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826210396 608521183 /nfs/dbraw/zinc/52/11/83/608521183.db2.gz PQRPZVNTIDKZIF-QGZVFWFLSA-N 1 0 351.410 2.748 20 10 FFCDRO Oc1ccccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826511206 608873220 /nfs/dbraw/zinc/87/32/20/608873220.db2.gz HAANUQHJBVIISP-UHFFFAOYSA-N 1 0 351.410 2.616 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)N(C)C)cc1 ZINC000898449693 735362107 /nfs/dbraw/zinc/36/21/07/735362107.db2.gz JFSQJPOPAPPLFM-MRXNPFEDSA-N 1 0 351.445 2.816 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000898725702 735400727 /nfs/dbraw/zinc/40/07/27/735400727.db2.gz VNCMREQVFGMZGW-LBPRGKRZSA-N 1 0 366.259 2.855 20 10 FFCDRO C[C@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100953 735447238 /nfs/dbraw/zinc/44/72/38/735447238.db2.gz DOIDDUQOAVGROE-IUODEOHRSA-N 1 0 360.424 2.995 20 10 FFCDRO Cc1cc(F)ncc1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000899260409 735467545 /nfs/dbraw/zinc/46/75/45/735467545.db2.gz FZNNMCZPUNUIOJ-MDWZMJQESA-N 1 0 351.472 2.825 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000066185707 728167431 /nfs/dbraw/zinc/16/74/31/728167431.db2.gz ZLHDGXZDEXWGIS-MRXNPFEDSA-N 1 0 364.559 2.769 20 10 FFCDRO CC(C)[NH+]1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000072982429 728215973 /nfs/dbraw/zinc/21/59/73/728215973.db2.gz GHXQGJXOZOHNAF-UHFFFAOYSA-N 1 0 361.555 2.976 20 10 FFCDRO COC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000090653177 728451862 /nfs/dbraw/zinc/45/18/62/728451862.db2.gz IVFDMBYHAAZGEU-OAHLLOKOSA-N 1 0 352.450 2.509 20 10 FFCDRO CN1CCc2cc(/C=C3/SC(=S)N(C4CC[NH+](C)CC4)C3=O)ccc21 ZINC000130423272 728717774 /nfs/dbraw/zinc/71/77/74/728717774.db2.gz LXDNHBLNBYGRKZ-SFQUDFHCSA-N 1 0 373.547 2.974 20 10 FFCDRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000134263222 728729314 /nfs/dbraw/zinc/72/93/14/728729314.db2.gz DAVGGZFDUOBNMB-MAUKXSAKSA-N 1 0 352.862 2.695 20 10 FFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCCCOC ZINC000174424121 729071558 /nfs/dbraw/zinc/07/15/58/729071558.db2.gz DVHXIFSFTOFPPL-LBPRGKRZSA-N 1 0 373.291 2.518 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccccc1O ZINC000186708218 729368064 /nfs/dbraw/zinc/36/80/64/729368064.db2.gz QWABYGZKXHNNFZ-ZDUSSCGKSA-N 1 0 364.442 2.922 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000188807460 729391920 /nfs/dbraw/zinc/39/19/20/729391920.db2.gz MWFBDBWKVQIWCY-MLGOLLRUSA-N 1 0 363.376 2.983 20 10 FFCDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cccc(O)c1O ZINC000192993016 729465073 /nfs/dbraw/zinc/46/50/73/729465073.db2.gz XFOBERDITCQIDV-UHFFFAOYSA-N 1 0 358.463 2.941 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)s1 ZINC000760674549 736660046 /nfs/dbraw/zinc/66/00/46/736660046.db2.gz HGXFZKJGOSSDKT-UHFFFAOYSA-N 1 0 364.536 2.890 20 10 FFCDRO C[C@@H](CCO)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779422098 738463023 /nfs/dbraw/zinc/46/30/23/738463023.db2.gz UNGREJQCJMJBNF-WMLDXEAASA-N 1 0 351.491 2.679 20 10 FFCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000779431930 738463264 /nfs/dbraw/zinc/46/32/64/738463264.db2.gz IAQCFKICLRQOBB-VQIMIIECSA-N 1 0 350.478 2.891 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000858164961 730418342 /nfs/dbraw/zinc/41/83/42/730418342.db2.gz JOHGYSUBRNEZOP-CZUORRHYSA-N 1 0 350.212 2.739 20 10 FFCDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862368514 730692977 /nfs/dbraw/zinc/69/29/77/730692977.db2.gz IRKUDAMMCIYWBN-NSHDSACASA-N 1 0 357.248 2.865 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1F ZINC000862377092 730694268 /nfs/dbraw/zinc/69/42/68/730694268.db2.gz CHIUQJLXLULVOU-SFHVURJKSA-N 1 0 354.441 2.688 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O ZINC000866493513 731066869 /nfs/dbraw/zinc/06/68/69/731066869.db2.gz VYLIZBODKOEYFR-ZMSDIMECSA-N 1 0 350.459 2.803 20 10 FFCDRO C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Br)ccc1O ZINC000925789812 738529866 /nfs/dbraw/zinc/52/98/66/738529866.db2.gz BMTISCDWCSUCCD-TZMCWYRMSA-N 1 0 369.303 2.964 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797422 731832895 /nfs/dbraw/zinc/83/28/95/731832895.db2.gz YTWGKMGFAWVIFP-ZBFHGGJFSA-N 1 0 351.512 2.865 20 10 FFCDRO C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2[O-])(N2CCCCC2)CC1 ZINC000877064481 732320131 /nfs/dbraw/zinc/32/01/31/732320131.db2.gz REZSLUZJFFBSJR-UHFFFAOYSA-N 1 0 353.457 2.710 20 10 FFCDRO CCCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(C[NH3+])cc1 ZINC000877478253 732369460 /nfs/dbraw/zinc/36/94/60/732369460.db2.gz LUDBOVUOSVXBOP-UHFFFAOYSA-N 1 0 367.902 2.863 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1C(F)(F)F ZINC000877693825 732415396 /nfs/dbraw/zinc/41/53/96/732415396.db2.gz RQSIEEWCMRDQID-GXSJLCMTSA-N 1 0 354.166 2.757 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(Br)no2)c1 ZINC000878359936 732520179 /nfs/dbraw/zinc/52/01/79/732520179.db2.gz FDLDTXKPJDGFFF-QPUJVOFHSA-N 1 0 357.204 2.536 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(Cl)c3F)cc2)CC1 ZINC000881852320 733120760 /nfs/dbraw/zinc/12/07/60/733120760.db2.gz LXHSLUJEEFNLTQ-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927134486 738695183 /nfs/dbraw/zinc/69/51/83/738695183.db2.gz IWJRHMMBUZHAFA-IUODEOHRSA-N 1 0 354.248 2.663 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927134487 738695263 /nfs/dbraw/zinc/69/52/63/738695263.db2.gz IWJRHMMBUZHAFA-SWLSCSKDSA-N 1 0 354.248 2.663 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccnc2Cl)[NH+](C)C)cc1 ZINC000891245230 734403935 /nfs/dbraw/zinc/40/39/35/734403935.db2.gz AQDXYWIZLSTYKC-QGZVFWFLSA-N 1 0 360.889 2.763 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cn2)[NH+](C)C)cc1 ZINC000891246497 734404090 /nfs/dbraw/zinc/40/40/90/734404090.db2.gz OJRDNXLXEQAZLB-GOSISDBHSA-N 1 0 360.889 2.763 20 10 FFCDRO CSc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247776 734404499 /nfs/dbraw/zinc/40/44/99/734404499.db2.gz VDRMQPMEFALSNG-INIZCTEOSA-N 1 0 358.511 2.902 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894260681 734827147 /nfs/dbraw/zinc/82/71/47/734827147.db2.gz OTTMZRHTCWCPAE-UHFFFAOYSA-N 1 0 369.874 2.637 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000894549670 734878204 /nfs/dbraw/zinc/87/82/04/734878204.db2.gz BXSVBUDTTJOBRH-AWEZNQCLSA-N 1 0 351.393 2.928 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000894689840 734900802 /nfs/dbraw/zinc/90/08/02/734900802.db2.gz NCUAEZQNZQMPJT-RYUDHWBXSA-N 1 0 354.447 2.801 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC2CC(F)(F)C2)[NH+](C)C)cc1 ZINC000895002991 734950339 /nfs/dbraw/zinc/95/03/39/734950339.db2.gz QZZXLUIQYFRVOM-MRXNPFEDSA-N 1 0 354.445 2.700 20 10 FFCDRO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895576466 735026041 /nfs/dbraw/zinc/02/60/41/735026041.db2.gz ZSDGUZHNXLYMKB-KRWDZBQOSA-N 1 0 358.404 2.801 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000896048892 735093853 /nfs/dbraw/zinc/09/38/53/735093853.db2.gz VPUKOBOUWOHYGW-CZUORRHYSA-N 1 0 361.515 2.872 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCc1nc(-c3ccncc3)cs1)OCO2 ZINC000741157805 735121628 /nfs/dbraw/zinc/12/16/28/735121628.db2.gz BWKCAEFOOUJTGF-UHFFFAOYSA-N 1 0 355.419 2.972 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)c1O ZINC000896413569 735155735 /nfs/dbraw/zinc/15/57/35/735155735.db2.gz SFHTVTAUSVVPMT-JKSUJKDBSA-N 1 0 372.259 2.939 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897256458 735211277 /nfs/dbraw/zinc/21/12/77/735211277.db2.gz AZSFBJXJSQFKIZ-LBPRGKRZSA-N 1 0 356.260 2.661 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000748958662 735685017 /nfs/dbraw/zinc/68/50/17/735685017.db2.gz DNSNLJQUABBAPN-GOEBONIOSA-N 1 0 350.482 2.906 20 10 FFCDRO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000903346060 736078311 /nfs/dbraw/zinc/07/83/11/736078311.db2.gz QCFCQZOZKXWGGM-SECBINFHSA-N 1 0 370.247 2.756 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903534876 736109333 /nfs/dbraw/zinc/10/93/33/736109333.db2.gz UIPIBLOOCXKYAJ-STQMWFEESA-N 1 0 350.768 2.960 20 10 FFCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000754121199 736128427 /nfs/dbraw/zinc/12/84/27/736128427.db2.gz KWKIWMOJHCVXLD-FUHWJXTLSA-N 1 0 368.568 2.541 20 10 FFCDRO CC[N@H+](CCNC(=O)NCc1ccc(N(C)C)cc1)CCC(F)(F)F ZINC000755070136 736230614 /nfs/dbraw/zinc/23/06/14/736230614.db2.gz FHZMJZZYHYKVIY-UHFFFAOYSA-N 1 0 360.424 2.826 20 10 FFCDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCCCSc3nccs3)C2)CC1 ZINC000756721735 736355379 /nfs/dbraw/zinc/35/53/79/736355379.db2.gz GEWNFVSWKZDWMK-HNNXBMFYSA-N 1 0 368.572 2.999 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Br)ccc1O ZINC000756758102 736359719 /nfs/dbraw/zinc/35/97/19/736359719.db2.gz HBONIXRAFNZEIV-SNVBAGLBSA-N 1 0 362.289 2.630 20 10 FFCDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000760535849 736648233 /nfs/dbraw/zinc/64/82/33/736648233.db2.gz XHASBVHAQXICCF-ZDUSSCGKSA-N 1 0 363.805 2.820 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(Br)c1O ZINC000765535209 737130966 /nfs/dbraw/zinc/13/09/66/737130966.db2.gz OCZSKUXNSHTJQM-ZDUSSCGKSA-N 1 0 370.291 2.828 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)CC1 ZINC000765976809 737179492 /nfs/dbraw/zinc/17/94/92/737179492.db2.gz AKOORVFZDMVGOK-FQEVSTJZSA-N 1 0 356.491 2.699 20 10 FFCDRO Oc1ccc(Br)cc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000768250751 737409136 /nfs/dbraw/zinc/40/91/36/737409136.db2.gz CYPDUPSIKKHOAF-INIZCTEOSA-N 1 0 369.303 2.841 20 10 FFCDRO CC[C@@H](C)NC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768297197 737412553 /nfs/dbraw/zinc/41/25/53/737412553.db2.gz UBPNVYQSKOZPGD-MRXNPFEDSA-N 1 0 360.571 2.981 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3Nc4cccc(Cl)c4C(=O)N3)cc2)CC1 ZINC000771517981 737732136 /nfs/dbraw/zinc/73/21/36/737732136.db2.gz LIIBGNQSWOHWDD-GOSISDBHSA-N 1 0 356.857 2.946 20 10 FFCDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773121281 737873222 /nfs/dbraw/zinc/87/32/22/737873222.db2.gz YKFGKTJNZYCZLK-IAQYHMDHSA-N 1 0 350.356 2.626 20 10 FFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000773272796 737887086 /nfs/dbraw/zinc/88/70/86/737887086.db2.gz IXYYWZRIUVWNGX-AWEZNQCLSA-N 1 0 351.466 2.650 20 10 FFCDRO CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000775501091 738097747 /nfs/dbraw/zinc/09/77/47/738097747.db2.gz ZMRNLGNPBQREIZ-HNNXBMFYSA-N 1 0 360.907 2.758 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1O ZINC000775537528 738100270 /nfs/dbraw/zinc/10/02/70/738100270.db2.gz ZWVRCUVHOAHLTD-MIUNTBIASA-N 1 0 365.861 2.807 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775662003 738110235 /nfs/dbraw/zinc/11/02/35/738110235.db2.gz BTQTZASWMAFMEI-ZIAGYGMSSA-N 1 0 354.878 2.717 20 10 FFCDRO COCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000786409339 739047094 /nfs/dbraw/zinc/04/70/94/739047094.db2.gz MQJAXEAUVFFKRQ-INIZCTEOSA-N 1 0 366.889 2.943 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000793072252 739737163 /nfs/dbraw/zinc/73/71/63/739737163.db2.gz DHBLCFPBNZEARS-CQSZACIVSA-N 1 0 364.433 2.828 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)cc1OC ZINC000793607007 739799282 /nfs/dbraw/zinc/79/92/82/739799282.db2.gz YEPZNZPHMOKPRG-LBPRGKRZSA-N 1 0 354.447 2.802 20 10 FFCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000797029880 740204528 /nfs/dbraw/zinc/20/45/28/740204528.db2.gz CSZHMZAHJRDQNQ-HNNXBMFYSA-N 1 0 368.905 2.759 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C[N@@H+]1C1CC1 ZINC000805191011 740948699 /nfs/dbraw/zinc/94/86/99/740948699.db2.gz NNKCPVFHVCATLH-MFKMUULPSA-N 1 0 368.275 2.579 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1[O-] ZINC000808781602 741260091 /nfs/dbraw/zinc/26/00/91/741260091.db2.gz KDJRLZIPXQJQCX-UHFFFAOYSA-N 1 0 355.910 2.564 20 10 FFCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C(F)(F)F ZINC000811785399 741558716 /nfs/dbraw/zinc/55/87/16/741558716.db2.gz DJXNQHUNSNPQDI-LBPRGKRZSA-N 1 0 356.388 2.771 20 10 FFCDRO OC[C@@]1([C@@H]([NH2+]Cc2cc(Br)ccc2O)C2CC2)CCCO1 ZINC000816667856 742052208 /nfs/dbraw/zinc/05/22/08/742052208.db2.gz YHCAHYOUZBWOKU-JKSUJKDBSA-N 1 0 356.260 2.564 20 10 FFCDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817997128 742227363 /nfs/dbraw/zinc/22/73/63/742227363.db2.gz LYTLHAIFKVWGSB-MRXNPFEDSA-N 1 0 358.511 2.872 20 10 FFCDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000818012219 742229887 /nfs/dbraw/zinc/22/98/87/742229887.db2.gz KXVDDVYZUUBGDR-QGZVFWFLSA-N 1 0 361.873 2.937 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504056 742745423 /nfs/dbraw/zinc/74/54/23/742745423.db2.gz OXIOGQRWJPYMOF-AWEZNQCLSA-N 1 0 351.248 2.892 20 10 FFCDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000823432747 742909431 /nfs/dbraw/zinc/90/94/31/742909431.db2.gz MPVFASLBUVRVGW-QGZVFWFLSA-N 1 0 359.539 2.883 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824654142 743123240 /nfs/dbraw/zinc/12/32/40/743123240.db2.gz KUKKAHPKHTWYGM-WQVCFCJDSA-N 1 0 370.287 2.825 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000824677164 743127100 /nfs/dbraw/zinc/12/71/00/743127100.db2.gz AKWXIELFUCCMRW-WCQYABFASA-N 1 0 368.421 2.780 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1O ZINC000824790067 743149001 /nfs/dbraw/zinc/14/90/01/743149001.db2.gz LADACEKHXBYIDZ-UHFFFAOYSA-N 1 0 355.843 2.748 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000825131552 743216479 /nfs/dbraw/zinc/21/64/79/743216479.db2.gz PPSFHIGBKKPFEW-CQSZACIVSA-N 1 0 370.218 2.823 20 10 FFCDRO COc1cccnc1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000825249648 743235414 /nfs/dbraw/zinc/23/54/14/743235414.db2.gz LYSQAAAFSPTQTO-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000825811410 743330080 /nfs/dbraw/zinc/33/00/80/743330080.db2.gz GTBYJQXHQSWFIF-NSHDSACASA-N 1 0 363.259 2.907 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1OC ZINC000827839553 744987407 /nfs/dbraw/zinc/98/74/07/744987407.db2.gz VAJHICBNABHKMD-AWEZNQCLSA-N 1 0 357.328 2.650 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(Br)o2)cc1 ZINC000832292312 745673210 /nfs/dbraw/zinc/67/32/10/745673210.db2.gz FOCRKHJEHPYGPI-LBPRGKRZSA-N 1 0 352.232 2.538 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC000835080731 745946888 /nfs/dbraw/zinc/94/68/88/745946888.db2.gz AODNTKDRVBFRMV-HNNXBMFYSA-N 1 0 354.422 2.647 20 10 FFCDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC000838771296 746710349 /nfs/dbraw/zinc/71/03/49/746710349.db2.gz KYGYQQMWOOOJTL-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)[C@@H]1CCNC1=O ZINC000838865369 746724980 /nfs/dbraw/zinc/72/49/80/746724980.db2.gz SMAFUOSLKPLRQT-MRXNPFEDSA-N 1 0 366.303 2.760 20 10 FFCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146269 746788056 /nfs/dbraw/zinc/78/80/56/746788056.db2.gz BBWZMFWRPUNKBY-UHFFFAOYSA-N 1 0 352.356 2.936 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1F ZINC000839606911 746870086 /nfs/dbraw/zinc/87/00/86/746870086.db2.gz IHSAHUQDXMCDCE-MRXNPFEDSA-N 1 0 365.518 2.725 20 10 FFCDRO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000840761004 747175758 /nfs/dbraw/zinc/17/57/58/747175758.db2.gz NBZLOCIMRZYBHV-KRWDZBQOSA-N 1 0 350.413 2.776 20 10 FFCDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840876059 747209261 /nfs/dbraw/zinc/20/92/61/747209261.db2.gz JKKXIHCDYWTAMW-AWEZNQCLSA-N 1 0 372.506 2.526 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Br)ccc1O ZINC000840883398 747211812 /nfs/dbraw/zinc/21/18/12/747211812.db2.gz MPAXNUODSKJFIB-CYBMUJFWSA-N 1 0 362.289 2.773 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000840893378 747216382 /nfs/dbraw/zinc/21/63/82/747216382.db2.gz IXDQOSPEQKLVPX-HOTGVXAUSA-N 1 0 352.544 2.795 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000840975191 747248597 /nfs/dbraw/zinc/24/85/97/747248597.db2.gz DTURPXQURHLZMZ-KVSKMBFKSA-N 1 0 352.544 2.937 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2CC2)cc1 ZINC000841334725 747318719 /nfs/dbraw/zinc/31/87/19/747318719.db2.gz ICOLQOCIQFFWHF-HNNXBMFYSA-N 1 0 358.408 2.706 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000841335468 747318840 /nfs/dbraw/zinc/31/88/40/747318840.db2.gz QZUMAXSRBZOGFI-OAHLLOKOSA-N 1 0 360.424 2.952 20 10 FFCDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707175 747436820 /nfs/dbraw/zinc/43/68/20/747436820.db2.gz PAIFGPLCTCJPNF-AEFFLSMTSA-N 1 0 362.543 2.557 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2Cl)C1 ZINC000841895654 747484351 /nfs/dbraw/zinc/48/43/51/747484351.db2.gz HCDFQHJMAWTHHE-CTNYNGJSSA-N 1 0 362.905 2.593 20 10 FFCDRO CC(C)c1cccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842785083 747687353 /nfs/dbraw/zinc/68/73/53/747687353.db2.gz OIYKAFDQONGFQS-IBGZPJMESA-N 1 0 361.511 2.854 20 10 FFCDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2C(F)F)ccc1N1CCCCC1 ZINC000843124457 747777395 /nfs/dbraw/zinc/77/73/95/747777395.db2.gz BDPNOXYFQHBRJY-INIZCTEOSA-N 1 0 354.401 2.624 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843124301 747777938 /nfs/dbraw/zinc/77/79/38/747777938.db2.gz XTWJAFMIHWURJF-MRXNPFEDSA-N 1 0 355.276 2.739 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cs2)cc1 ZINC000844174449 747983553 /nfs/dbraw/zinc/98/35/53/747983553.db2.gz DAXGSMXPGQPJAT-RDJZCZTQSA-N 1 0 356.495 2.673 20 10 FFCDRO CC(C)([NH3+])CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000844187414 747985440 /nfs/dbraw/zinc/98/54/40/747985440.db2.gz GKIVFFOLYLALKU-ZDUSSCGKSA-N 1 0 355.429 2.891 20 10 FFCDRO C[NH+]1CCC(n2ccc(NC(=O)NCc3cc(Cl)ccc3O)n2)CC1 ZINC000844650915 748065623 /nfs/dbraw/zinc/06/56/23/748065623.db2.gz RGXSYCHTVIKZSZ-UHFFFAOYSA-N 1 0 363.849 2.831 20 10 FFCDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000845995778 748378164 /nfs/dbraw/zinc/37/81/64/748378164.db2.gz GLIWWFFOOFXYIZ-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO CCO[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000846052901 748392739 /nfs/dbraw/zinc/39/27/39/748392739.db2.gz JQKBDIDLHZODDP-NVXWUHKLSA-N 1 0 350.459 2.754 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846146065 748415255 /nfs/dbraw/zinc/41/52/55/748415255.db2.gz PUKWJIDHAKKIMC-OLZOCXBDSA-N 1 0 364.467 2.721 20 10 FFCDRO C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]1CC[NH3+] ZINC000846695652 748525532 /nfs/dbraw/zinc/52/55/32/748525532.db2.gz VYXGMGSELOTIIX-CXAGYDPISA-N 1 0 358.511 2.906 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000848563131 748961562 /nfs/dbraw/zinc/96/15/62/748961562.db2.gz PIXDILMFJJPKLZ-YESZJQIVSA-N 1 0 350.503 2.819 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)CCOC)cc2)c1O ZINC000848905935 749032461 /nfs/dbraw/zinc/03/24/61/749032461.db2.gz NADWOPGFDAYKLQ-UHFFFAOYSA-N 1 0 363.479 2.665 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848929155 749036917 /nfs/dbraw/zinc/03/69/17/749036917.db2.gz BNKNITYIZTUXGG-MRXNPFEDSA-N 1 0 369.303 2.841 20 10 FFCDRO C[C@H](Cn1cncn1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000850430000 749364062 /nfs/dbraw/zinc/36/40/62/749364062.db2.gz KRGMSUSTBOFQFO-CYBMUJFWSA-N 1 0 351.401 2.527 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000394127115 845861839 /nfs/dbraw/zinc/86/18/39/845861839.db2.gz CUHXJZRJPVXXHG-JSGCOSHPSA-N 1 0 354.422 2.818 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(O)c1 ZINC000895813483 970980340 /nfs/dbraw/zinc/98/03/40/970980340.db2.gz DOPDRCUXKOIYEI-UHFFFAOYSA-N 1 0 353.466 2.692 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182641588 971048845 /nfs/dbraw/zinc/04/88/45/971048845.db2.gz BRROCAQDDFBJFM-LSDHHAIUSA-N 1 0 361.486 2.853 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000820426739 945447494 /nfs/dbraw/zinc/44/74/94/945447494.db2.gz NDKHFGQKYGZZEV-ZDUSSCGKSA-N 1 0 370.482 2.616 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1OC ZINC000896052309 971199293 /nfs/dbraw/zinc/19/92/93/971199293.db2.gz SZIWDTIWRHTJOA-INIZCTEOSA-N 1 0 365.470 2.865 20 10 FFCDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888587356 1013069666 /nfs/dbraw/zinc/06/96/66/1013069666.db2.gz GQRYIKIQZTWSAZ-OAHLLOKOSA-N 1 0 364.453 2.812 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)cc(OC)c1OC ZINC000187549597 971443585 /nfs/dbraw/zinc/44/35/85/971443585.db2.gz FJQCXBRHOQSJCN-INIZCTEOSA-N 1 0 364.486 2.792 20 10 FFCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000896487241 971507873 /nfs/dbraw/zinc/50/78/73/971507873.db2.gz FBUKCECSBYXQDB-SFHVURJKSA-N 1 0 354.498 2.761 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275894090 1013151167 /nfs/dbraw/zinc/15/11/67/1013151167.db2.gz OYCGHYWOGHWNCK-FZKQIMNGSA-N 1 0 352.862 2.647 20 10 FFCDRO COCCCN1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001275896567 1013158085 /nfs/dbraw/zinc/15/80/85/1013158085.db2.gz ZECNTGPQUNPYPT-UHFFFAOYSA-N 1 0 366.889 2.897 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951033 1013223575 /nfs/dbraw/zinc/22/35/75/1013223575.db2.gz COORBDLJMNWHFL-NRFANRHFSA-N 1 0 359.514 2.664 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000653130055 962080825 /nfs/dbraw/zinc/08/08/25/962080825.db2.gz SWHONGLDOXSWMJ-JOCHJYFZSA-N 1 0 367.493 2.741 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cncn2C)NC(=O)OC(C)(C)C)cc1 ZINC000773408524 1013320153 /nfs/dbraw/zinc/32/01/53/1013320153.db2.gz HZWZKZRJVDKJJF-GOSISDBHSA-N 1 0 373.501 2.842 20 10 FFCDRO Cc1cccnc1/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250035 962594491 /nfs/dbraw/zinc/59/44/91/962594491.db2.gz YDGFQCHIZANRTD-DRUFCSCSSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CSCc2cccnc2)[NH+](C)C)cc1 ZINC000891251648 962604830 /nfs/dbraw/zinc/60/48/30/962604830.db2.gz CWHJZYCNIMSSQT-LJQANCHMSA-N 1 0 372.538 2.800 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cn1cccn1 ZINC000873096006 1013383631 /nfs/dbraw/zinc/38/36/31/1013383631.db2.gz SSTRJDRYESIPSQ-DFQSSKMNSA-N 1 0 353.466 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(Cn4ccnc4)cn3)cc2)CC1 ZINC001167426925 963029607 /nfs/dbraw/zinc/02/96/07/963029607.db2.gz OWVNQKLXVVEDLD-UHFFFAOYSA-N 1 0 362.481 2.690 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(Cl)nc3Cl)cc2)CC1 ZINC001167431407 963093768 /nfs/dbraw/zinc/09/37/68/963093768.db2.gz XZFLAVMWOOANTE-UHFFFAOYSA-N 1 0 353.257 2.542 20 10 FFCDRO COC(=O)c1cc(OC)ccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434544 963182603 /nfs/dbraw/zinc/18/26/03/963182603.db2.gz PHSQJKMGWQEJNV-UHFFFAOYSA-N 1 0 369.465 2.846 20 10 FFCDRO COc1cccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1O ZINC000873191096 1013416943 /nfs/dbraw/zinc/41/69/43/1013416943.db2.gz IRBSIUFLKFFRSL-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO O=C1N(Cc2cnoc2)CCC12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001276086166 1013431259 /nfs/dbraw/zinc/43/12/59/1013431259.db2.gz NUFXETYQGKGESV-UHFFFAOYSA-N 1 0 359.401 2.534 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(C(F)F)CC1 ZINC000843569003 963928835 /nfs/dbraw/zinc/92/88/35/963928835.db2.gz OPFFDIZRJVRZIA-UHFFFAOYSA-N 1 0 363.452 2.880 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@H](O)c2ccc(C)o2)c2cc(F)ccc2n1C ZINC000894301847 964378905 /nfs/dbraw/zinc/37/89/05/964378905.db2.gz XZSYTSABEZIMLT-MRXNPFEDSA-N 1 0 360.385 2.829 20 10 FFCDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891782189 965074151 /nfs/dbraw/zinc/07/41/51/965074151.db2.gz OQTHTLAKHMYDSM-GDBMZVCRSA-N 1 0 364.486 2.926 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000892129545 966035874 /nfs/dbraw/zinc/03/58/74/966035874.db2.gz CAIIIXNZMMZXDL-UHFFFAOYSA-N 1 0 374.872 2.904 20 10 FFCDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1Cc2cccc(O)c2C1 ZINC000892150595 966082423 /nfs/dbraw/zinc/08/24/23/966082423.db2.gz OTSGHHCMLKUNHF-FUHWJXTLSA-N 1 0 369.440 2.950 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CCCCCC[NH3+])C2)cc1 ZINC000892194050 966247479 /nfs/dbraw/zinc/24/74/79/966247479.db2.gz SQHGETKBIXECBU-QGZVFWFLSA-N 1 0 362.518 2.682 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)C2)cc1 ZINC000895005534 967150958 /nfs/dbraw/zinc/15/09/58/967150958.db2.gz FFEWFOKTYUXZTN-AYOQOUSVSA-N 1 0 364.461 2.745 20 10 FFCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccccc1 ZINC000176496978 967314044 /nfs/dbraw/zinc/31/40/44/967314044.db2.gz LXHVPCTZBCTWPJ-OAHLLOKOSA-N 1 0 368.433 2.763 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC000162829948 969676825 /nfs/dbraw/zinc/67/68/25/969676825.db2.gz DXQBASAFBNMAHL-GHTZIAJQSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1O ZINC000895334567 970388892 /nfs/dbraw/zinc/38/88/92/970388892.db2.gz PRGVULCWLDDNHP-UHFFFAOYSA-N 1 0 356.466 2.960 20 10 FFCDRO COc1ccc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(O)c1OC ZINC000892977202 970462055 /nfs/dbraw/zinc/46/20/55/970462055.db2.gz OEGDUHSMJNJUSN-UHFFFAOYSA-N 1 0 370.449 2.822 20 10 FFCDRO CC[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000895420189 970607011 /nfs/dbraw/zinc/60/70/11/970607011.db2.gz UPWJADRVRWCDBW-BHIYHBOVSA-N 1 0 362.518 2.612 20 10 FFCDRO CC[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000895420194 970607257 /nfs/dbraw/zinc/60/72/57/970607257.db2.gz UPWJADRVRWCDBW-UHOSZYNNSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[N@H+](C)C(C)(C)CC3)C2)cc1 ZINC000875680091 1014061933 /nfs/dbraw/zinc/06/19/33/1014061933.db2.gz SJZJRKZMFHXZRZ-QGZVFWFLSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000653136129 1014235822 /nfs/dbraw/zinc/23/58/22/1014235822.db2.gz AIDYIYQJJKYUNT-GJZGRUSLSA-N 1 0 355.482 2.785 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)N(C)C)cc1 ZINC000898448223 976460119 /nfs/dbraw/zinc/46/01/19/976460119.db2.gz QVPBUQOKCKXAKO-QUCCMNQESA-N 1 0 361.530 2.673 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)N(C)C)cc1 ZINC000898449683 976460611 /nfs/dbraw/zinc/46/06/11/976460611.db2.gz JCCQSCTXCDCQEJ-SFHVURJKSA-N 1 0 372.479 2.972 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898447039 976469542 /nfs/dbraw/zinc/46/95/42/976469542.db2.gz FGPMIZMNLQBJRP-HXUWFJFHSA-N 1 0 370.497 2.717 20 10 FFCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000759969245 976477201 /nfs/dbraw/zinc/47/72/01/976477201.db2.gz ILZBAYGYLDSLGU-SJLPKXTDSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1cccc(C(=O)N2CC[NH+](Cc3c(C)cccc3O)CC2)c1OC ZINC000876642522 1014335900 /nfs/dbraw/zinc/33/59/00/1014335900.db2.gz CWLDHZSFCUUZQA-UHFFFAOYSA-N 1 0 370.449 2.676 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCCOC3)[NH+](C)C)cc1 ZINC000899098051 976922959 /nfs/dbraw/zinc/92/29/59/976922959.db2.gz LAIZWIONDILTRF-CTNGQTDRSA-N 1 0 374.529 2.567 20 10 FFCDRO CN(C)c1ccc([C@@H](O)c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC001211704213 977075664 /nfs/dbraw/zinc/07/56/64/977075664.db2.gz QHAGBGKHKADNPE-GOSISDBHSA-N 1 0 352.438 2.946 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1C ZINC000728906443 977126410 /nfs/dbraw/zinc/12/64/10/977126410.db2.gz ZEASZBZXXFDABM-QGZVFWFLSA-N 1 0 359.514 2.574 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876872391 1014405887 /nfs/dbraw/zinc/40/58/87/1014405887.db2.gz CLNIMYMYCONLMD-OGCPGZBVSA-N 1 0 371.525 2.816 20 10 FFCDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876885563 1014408890 /nfs/dbraw/zinc/40/88/90/1014408890.db2.gz OXBSZBJTEYYEAC-INIZCTEOSA-N 1 0 368.481 2.630 20 10 FFCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3c(C)cccc3O)CC2)cc1 ZINC000876921603 1014422444 /nfs/dbraw/zinc/42/24/44/1014422444.db2.gz QOOLBYLPMGWFHV-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO CN(C)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876955947 1014433670 /nfs/dbraw/zinc/43/36/70/1014433670.db2.gz FLHIRSFCEVFBOH-NRFANRHFSA-N 1 0 367.537 2.910 20 10 FFCDRO C[C@@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccc1O ZINC000877255413 1014529243 /nfs/dbraw/zinc/52/92/43/1014529243.db2.gz COBYMYITPWLBRO-QGZVFWFLSA-N 1 0 367.493 2.953 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000201645093 979094483 /nfs/dbraw/zinc/09/44/83/979094483.db2.gz UREVKHFJGPOPQL-GOSISDBHSA-N 1 0 354.450 2.984 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCC1 ZINC000654062345 1014558161 /nfs/dbraw/zinc/55/81/61/1014558161.db2.gz VXEMPNJWYWWOOT-IYBDPMFKSA-N 1 0 369.509 2.985 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001272002581 979494836 /nfs/dbraw/zinc/49/48/36/979494836.db2.gz GDVKDCWCYHSQEP-BETUJISGSA-N 1 0 358.360 2.729 20 10 FFCDRO COC(=O)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000905786966 980519645 /nfs/dbraw/zinc/51/96/45/980519645.db2.gz AYJHLZAXAFETBD-HXUWFJFHSA-N 1 0 371.456 2.581 20 10 FFCDRO CCCC[C@H](CC)C[N@@H+]1CCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001272048237 980711335 /nfs/dbraw/zinc/71/13/35/980711335.db2.gz IREPMSKEAZAIFN-AWEZNQCLSA-N 1 0 362.470 2.920 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000877731402 1014701849 /nfs/dbraw/zinc/70/18/49/1014701849.db2.gz QAGWSHIAARZRLC-MQMHXKEQSA-N 1 0 366.458 2.802 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878239977 1014939178 /nfs/dbraw/zinc/93/91/78/1014939178.db2.gz COGYTIPHIMXKJA-MOPGFXCFSA-N 1 0 361.482 2.959 20 10 FFCDRO OCC1(C[C@H](O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCC1 ZINC000878241572 1014940784 /nfs/dbraw/zinc/94/07/84/1014940784.db2.gz WTCSAPRLIFWRSR-OALUTQOASA-N 1 0 363.498 2.677 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000045126729 984405815 /nfs/dbraw/zinc/40/58/15/984405815.db2.gz YIKOYCUXMXHJNJ-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c2n1 ZINC000760866918 984550308 /nfs/dbraw/zinc/55/03/08/984550308.db2.gz BFFWLNHDBIUJRO-AWEZNQCLSA-N 1 0 367.453 2.654 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1C ZINC000997026646 985062058 /nfs/dbraw/zinc/06/20/58/985062058.db2.gz PPKYGLBGUSHTBI-GGPKGHCWSA-N 1 0 358.482 2.652 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000765669298 985280126 /nfs/dbraw/zinc/28/01/26/985280126.db2.gz KGRALFDBAJDYJO-SQNIBIBYSA-N 1 0 374.529 2.708 20 10 FFCDRO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1C ZINC000998100853 985944322 /nfs/dbraw/zinc/94/43/22/985944322.db2.gz YEVCNGJKGIGFNQ-SBHAEUEKSA-N 1 0 372.509 2.899 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(c4nnc(N)o4)CC3)cc2)CC1 ZINC000878814915 1015233181 /nfs/dbraw/zinc/23/31/81/1015233181.db2.gz XJWHPMDWAMOEFX-UHFFFAOYSA-N 1 0 371.485 2.647 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nnc(N)o4)C3)cc2)CC1 ZINC000878946499 1015297656 /nfs/dbraw/zinc/29/76/56/1015297656.db2.gz LPRPBAWRMVISKW-INIZCTEOSA-N 1 0 371.485 2.647 20 10 FFCDRO CN1C(=O)C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)[C@H]1c1cccnc1 ZINC000922204645 988122176 /nfs/dbraw/zinc/12/21/76/988122176.db2.gz HDPWUJHOBHWJGU-WIYYLYMNSA-N 1 0 351.450 2.716 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000922263673 988282808 /nfs/dbraw/zinc/28/28/08/988282808.db2.gz DWNDTEBEQTWSLS-INIZCTEOSA-N 1 0 357.429 2.853 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000691438690 989516004 /nfs/dbraw/zinc/51/60/04/989516004.db2.gz RESZZDGYMPGXBW-INIZCTEOSA-N 1 0 350.459 2.680 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2)cc1C ZINC001034738441 990235848 /nfs/dbraw/zinc/23/58/48/990235848.db2.gz ZEHAIIAWDLYRER-ZESCBINXSA-N 1 0 360.498 2.946 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCCn3ccnc3C)CC2)c(OC)c1 ZINC000879462190 1015547328 /nfs/dbraw/zinc/54/73/28/1015547328.db2.gz MGLAOGYQDGOEDP-UHFFFAOYSA-N 1 0 358.486 2.811 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000918745538 990486841 /nfs/dbraw/zinc/48/68/41/990486841.db2.gz NRNUSWCZKZXOJV-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000237724365 991322884 /nfs/dbraw/zinc/32/28/84/991322884.db2.gz VOILXBDPIMLZIF-UHFFFAOYSA-N 1 0 363.465 2.794 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1O ZINC000879651756 1015627359 /nfs/dbraw/zinc/62/73/59/1015627359.db2.gz JUMDPNAROXGYFJ-KRWDZBQOSA-N 1 0 368.477 2.907 20 10 FFCDRO Oc1c(CNc2cccnc2OC2C[NH2+]C2)cc(Cl)c2cccnc12 ZINC001168526269 991950191 /nfs/dbraw/zinc/95/01/91/991950191.db2.gz UUVKABFDQMRLQI-UHFFFAOYSA-N 1 0 356.813 2.952 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000182320893 992007842 /nfs/dbraw/zinc/00/78/42/992007842.db2.gz ZEESRWZHHNYBJB-SUMWQHHRSA-N 1 0 356.422 2.691 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(=O)OC)cc3)c2)CC1 ZINC000184265063 992713949 /nfs/dbraw/zinc/71/39/49/992713949.db2.gz HXPHOVLULZQCPD-UHFFFAOYSA-N 1 0 367.449 2.867 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)ccc1OC ZINC000808446568 994120788 /nfs/dbraw/zinc/12/07/88/994120788.db2.gz KZTXXBHWJHEABG-YSIASYRMSA-N 1 0 360.498 2.968 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4CN(C(C)=O)C[C@@H]43)CC2)cc1 ZINC000808722215 994230487 /nfs/dbraw/zinc/23/04/87/994230487.db2.gz AXOYYRJJZQCIDE-VOQZNFBZSA-N 1 0 371.525 2.901 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000747556707 994505201 /nfs/dbraw/zinc/50/52/01/994505201.db2.gz ILIKIYBWNYXJEN-UHFFFAOYSA-N 1 0 372.517 2.955 20 10 FFCDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccncc1 ZINC000809567173 994539021 /nfs/dbraw/zinc/53/90/21/994539021.db2.gz WNEOZDLOWBOSTL-LJQANCHMSA-N 1 0 360.385 2.697 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1C ZINC000809707999 994588152 /nfs/dbraw/zinc/58/81/52/994588152.db2.gz UWKDNWMFGDNJLH-ZWKOTPCHSA-N 1 0 362.470 2.879 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)COC3CCCC3)C[C@H]2C)cc1C ZINC001082435706 994617907 /nfs/dbraw/zinc/61/79/07/994617907.db2.gz VKOTUAXTZIFOLJ-VQIMIIECSA-N 1 0 360.498 2.899 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(C(=O)[O-])ccc1O ZINC001593303553 994734522 /nfs/dbraw/zinc/73/45/22/994734522.db2.gz GAEZWDHXHMOJFQ-KDOFPFPSSA-N 1 0 370.449 2.508 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nccc(C)n3)C2)cc1C ZINC001086684234 994945769 /nfs/dbraw/zinc/94/57/69/994945769.db2.gz HCNSWOQUHRPWBW-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4ncsc4c3)cc2)CC1 ZINC001132898853 995193615 /nfs/dbraw/zinc/19/36/15/995193615.db2.gz GXJQXKZBIGTOHF-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000812737929 995520861 /nfs/dbraw/zinc/52/08/61/995520861.db2.gz UQILCWVZEPVQLW-INIZCTEOSA-N 1 0 354.498 2.986 20 10 FFCDRO O[C@H]1CC[N@H+](Cc2cccc(NCc3ccc(N4CCOCC4)cc3)c2)C1 ZINC000812778764 995531153 /nfs/dbraw/zinc/53/11/53/995531153.db2.gz OCGRNPWYFKNXHO-QFIPXVFZSA-N 1 0 367.493 2.702 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccnc(C)c3)C[C@H]2C)cc1C ZINC001082817221 995565372 /nfs/dbraw/zinc/56/53/72/995565372.db2.gz FGWUCEOXYBWZDF-DNVCBOLYSA-N 1 0 353.466 2.957 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@]3(C)CCCOC3)C[C@H]2C)cc1C ZINC001082828181 995588708 /nfs/dbraw/zinc/58/87/08/995588708.db2.gz XCKVRQXBIZEISC-BLIXFSHQSA-N 1 0 360.498 2.757 20 10 FFCDRO CCC[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccccc1O ZINC000727830931 995980193 /nfs/dbraw/zinc/98/01/93/995980193.db2.gz WIVYCKXABSBEKQ-UHFFFAOYSA-N 1 0 360.429 2.939 20 10 FFCDRO CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000824681777 997050862 /nfs/dbraw/zinc/05/08/62/997050862.db2.gz OTAWHENHAFRNLX-ZWKOTPCHSA-N 1 0 374.529 2.647 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(O)c1 ZINC000824827164 997115814 /nfs/dbraw/zinc/11/58/14/997115814.db2.gz ASKJUBCMYMUFFQ-TZMCWYRMSA-N 1 0 372.387 2.634 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1Cl ZINC000824913061 997133699 /nfs/dbraw/zinc/13/36/99/997133699.db2.gz GZGOWEXQSJUTOK-ZDUSSCGKSA-N 1 0 372.860 2.502 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000844167082 997689820 /nfs/dbraw/zinc/68/98/20/997689820.db2.gz NWCGAZGLTHYORP-UHFFFAOYSA-N 1 0 367.493 2.557 20 10 FFCDRO CC[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]1 ZINC000844188590 997699198 /nfs/dbraw/zinc/69/91/98/997699198.db2.gz WZOILQOWNDYHJN-LIRRHRJNSA-N 1 0 367.440 2.905 20 10 FFCDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000844313718 997770095 /nfs/dbraw/zinc/77/00/95/997770095.db2.gz UWFOJZWVWKGNGV-LLVKDONJSA-N 1 0 360.366 2.946 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](F)C3)cc2F)CC1 ZINC000844955605 998250242 /nfs/dbraw/zinc/25/02/42/998250242.db2.gz JMRDJXWGQRLXPJ-MRXNPFEDSA-N 1 0 366.456 2.611 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001144499130 998608792 /nfs/dbraw/zinc/60/87/92/998608792.db2.gz AWDQOHQBYNBGOJ-BXUZGUMPSA-N 1 0 352.431 2.539 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515807 998626999 /nfs/dbraw/zinc/62/69/99/998626999.db2.gz ZFKYLQHPCGAVED-VXGBXAGGSA-N 1 0 352.431 2.539 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](c2ccccc2)C1 ZINC001144516235 998628386 /nfs/dbraw/zinc/62/83/86/998628386.db2.gz URQXCDPVCBMTFS-RHSMWYFYSA-N 1 0 357.406 2.930 20 10 FFCDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000734002831 999171051 /nfs/dbraw/zinc/17/10/51/999171051.db2.gz QABSCISIQQAJJX-MRXNPFEDSA-N 1 0 363.477 2.543 20 10 FFCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000735491175 999432066 /nfs/dbraw/zinc/43/20/66/999432066.db2.gz BGJODXLSOJCSAS-UEXGIBASSA-N 1 0 372.557 2.706 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(O)c1 ZINC000740005845 999657258 /nfs/dbraw/zinc/65/72/58/999657258.db2.gz HTRBGZRKMHIRGK-CTNGQTDRSA-N 1 0 370.493 2.764 20 10 FFCDRO CCC[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000746145958 999951421 /nfs/dbraw/zinc/95/14/21/999951421.db2.gz XJAWBPRFYWTQED-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)CC2)cc1 ZINC000766605693 1000025077 /nfs/dbraw/zinc/02/50/77/1000025077.db2.gz MNBAQUAIAMHBQU-FGZHOGPDSA-N 1 0 373.541 2.897 20 10 FFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001169974308 1000141722 /nfs/dbraw/zinc/14/17/22/1000141722.db2.gz IONIHMHBBTWIAB-OAHLLOKOSA-N 1 0 363.502 2.519 20 10 FFCDRO COCC[C@H]1CCCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000767939282 1000162368 /nfs/dbraw/zinc/16/23/68/1000162368.db2.gz AEJFBBVEENXCNG-GOSISDBHSA-N 1 0 361.530 2.850 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NN2CCCCC2)C1 ZINC000768119403 1000180831 /nfs/dbraw/zinc/18/08/31/1000180831.db2.gz DHUIEVCVAUKCQC-UHFFFAOYSA-N 1 0 354.498 2.925 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846149002 1000209753 /nfs/dbraw/zinc/20/97/53/1000209753.db2.gz VMIKOCLGDIMFRW-ACJLOTCBSA-N 1 0 367.449 2.890 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2=O)cc1 ZINC000846151799 1000210173 /nfs/dbraw/zinc/21/01/73/1000210173.db2.gz HJBZSTXAPQJDBN-KDOFPFPSSA-N 1 0 370.449 2.861 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2=O)cc1 ZINC000846151800 1000210306 /nfs/dbraw/zinc/21/03/06/1000210306.db2.gz HJBZSTXAPQJDBN-KSSFIOAISA-N 1 0 370.449 2.861 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(N(C)C)cc1 ZINC000846161210 1000212727 /nfs/dbraw/zinc/21/27/27/1000212727.db2.gz WJUVTUYLPHJEEO-WOGUSJMUSA-N 1 0 374.529 2.742 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000846168207 1000215827 /nfs/dbraw/zinc/21/58/27/1000215827.db2.gz IKNMTGVKBIXYJV-KGLIPLIRSA-N 1 0 366.458 2.687 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCSCC1 ZINC000768532120 1000286375 /nfs/dbraw/zinc/28/63/75/1000286375.db2.gz JMEAMNDCRNVTRR-UHFFFAOYSA-N 1 0 373.566 2.978 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000846677400 1000406662 /nfs/dbraw/zinc/40/66/62/1000406662.db2.gz PDTCCAASOQZOPV-AZUAARDMSA-N 1 0 359.514 2.650 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2ncccn2)C1 ZINC000769662528 1000572150 /nfs/dbraw/zinc/57/21/50/1000572150.db2.gz DCWIKJGEWJSIQN-UHFFFAOYSA-N 1 0 364.449 2.941 20 10 FFCDRO Cc1cc(CC(=O)NCCN(C)CCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001146890253 1000785454 /nfs/dbraw/zinc/78/54/54/1000785454.db2.gz CVLWIUPFXIDUFL-UHFFFAOYSA-N 1 0 370.541 2.636 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)c1 ZINC000772983468 1000955964 /nfs/dbraw/zinc/95/59/64/1000955964.db2.gz ITVPOOVBBRYPGD-ZDUSSCGKSA-N 1 0 374.437 2.925 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cn1 ZINC000771380317 1001080814 /nfs/dbraw/zinc/08/08/14/1001080814.db2.gz FVJRUCPOZJLPRM-HOCLYGCPSA-N 1 0 356.445 2.773 20 10 FFCDRO CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(OC)cc1 ZINC000771762916 1001206393 /nfs/dbraw/zinc/20/63/93/1001206393.db2.gz PQLIHMRJWIJEJP-FQEVSTJZSA-N 1 0 355.482 2.941 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(F)ccc3C)CC2)cc1 ZINC000787251046 1001677012 /nfs/dbraw/zinc/67/70/12/1001677012.db2.gz BKIPBRIJZWOQQY-LJQANCHMSA-N 1 0 374.456 2.705 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)C1 ZINC000788245761 1001777611 /nfs/dbraw/zinc/77/76/11/1001777611.db2.gz KSEDYEFEHCPPRY-FLPIEVNYSA-N 1 0 371.525 2.970 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)cc1 ZINC000788506501 1001814203 /nfs/dbraw/zinc/81/42/03/1001814203.db2.gz MEXGTLUGUYHRCM-RXVVDRJESA-N 1 0 361.530 2.755 20 10 FFCDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000788784310 1001877561 /nfs/dbraw/zinc/87/75/61/1001877561.db2.gz WKZAEIWMBGITKZ-BFUOFWGJSA-N 1 0 358.413 2.668 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000790455704 1002384056 /nfs/dbraw/zinc/38/40/56/1002384056.db2.gz KNUFEJCBKCCZBQ-OAHLLOKOSA-N 1 0 368.433 2.529 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(C1)OCc1ccccc13)[C@@H](O)CO2 ZINC000774701032 1002448525 /nfs/dbraw/zinc/44/85/25/1002448525.db2.gz FWWUSGKQDJAARW-FPOVZHCZSA-N 1 0 353.418 2.840 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(C)n1-c1ccc(F)cc1 ZINC000791256842 1002625111 /nfs/dbraw/zinc/62/51/11/1002625111.db2.gz ZJIOOAOWEFIOIO-NRFANRHFSA-N 1 0 373.472 2.762 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000773077443 1002896010 /nfs/dbraw/zinc/89/60/10/1002896010.db2.gz DOLNKBIXTGWYGE-IEBWSBKVSA-N 1 0 360.498 2.902 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000793386077 1003358585 /nfs/dbraw/zinc/35/85/85/1003358585.db2.gz IQLGXEVQKPASAJ-CYBMUJFWSA-N 1 0 354.406 2.565 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000102432720 1003753873 /nfs/dbraw/zinc/75/38/73/1003753873.db2.gz TVKLSRYJLTVFLA-UHFFFAOYSA-N 1 0 353.466 2.813 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000775461866 1003839193 /nfs/dbraw/zinc/83/91/93/1003839193.db2.gz UAIMZLBOCITTGA-NRFANRHFSA-N 1 0 369.509 2.814 20 10 FFCDRO COc1cc(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)cc(O)c1O ZINC001193098537 1004372828 /nfs/dbraw/zinc/37/28/28/1004372828.db2.gz UNSWSUDUIZORQD-UHFFFAOYSA-N 1 0 372.421 2.833 20 10 FFCDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775829970 1004526858 /nfs/dbraw/zinc/52/68/58/1004526858.db2.gz BUNMUDZHVBBDPY-DNVCBOLYSA-N 1 0 372.465 2.630 20 10 FFCDRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775833272 1004548945 /nfs/dbraw/zinc/54/89/45/1004548945.db2.gz AQOPOLOXTRKOLY-MRXNPFEDSA-N 1 0 355.482 2.866 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1CCCc1ccccc1 ZINC001200950886 1005154461 /nfs/dbraw/zinc/15/44/61/1005154461.db2.gz JFGKBOYARGHVSD-FQEVSTJZSA-N 1 0 350.462 2.945 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1(C)C ZINC000776160037 1005207863 /nfs/dbraw/zinc/20/78/63/1005207863.db2.gz ZLKYEZUBOYWLQM-YTQUADARSA-N 1 0 359.514 2.682 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C/C=C\c3ccc(F)cc3)cc2)CC1 ZINC000776175079 1005215191 /nfs/dbraw/zinc/21/51/91/1005215191.db2.gz UJBJMIZQRLWSMK-UPHRSURJSA-N 1 0 374.481 2.864 20 10 FFCDRO C[C@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 ZINC000776346470 1005385014 /nfs/dbraw/zinc/38/50/14/1005385014.db2.gz IAVSSMJTOPOZLD-FXAWDEMLSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000850346423 1005808924 /nfs/dbraw/zinc/80/89/24/1005808924.db2.gz VBINREDFLBQTQW-IBGZPJMESA-N 1 0 367.493 2.900 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000850344665 1005809023 /nfs/dbraw/zinc/80/90/23/1005809023.db2.gz RJVWNURYNLRSLO-VQIMIIECSA-N 1 0 363.458 2.726 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)[C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000850354306 1005810816 /nfs/dbraw/zinc/81/08/16/1005810816.db2.gz YQCWOFUTHLXDBT-MAODMQOUSA-N 1 0 362.514 2.820 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H](CO)c3ccc(F)cc3F)cc2)CC1 ZINC000850410027 1005813649 /nfs/dbraw/zinc/81/36/49/1005813649.db2.gz DUTMZQAZQBDOKD-HXUWFJFHSA-N 1 0 361.436 2.540 20 10 FFCDRO CC[C@@H]([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881357361 1006060278 /nfs/dbraw/zinc/06/02/78/1006060278.db2.gz SBUONMOTYOMMSP-OAHLLOKOSA-N 1 0 356.405 2.512 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)c2C)cc1 ZINC000814145300 1006163179 /nfs/dbraw/zinc/16/31/79/1006163179.db2.gz MQBMKQDHAMCAEW-JXFKEZNVSA-N 1 0 353.466 2.879 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852777117 1006177971 /nfs/dbraw/zinc/17/79/71/1006177971.db2.gz IQMULZSRHDSANI-QGZVFWFLSA-N 1 0 367.497 2.749 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2c1CC[NH2+]C2 ZINC000852860236 1006209145 /nfs/dbraw/zinc/20/91/45/1006209145.db2.gz OJCCDLRLJXEDGV-UHFFFAOYSA-N 1 0 367.518 2.816 20 10 FFCDRO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000852869171 1006213506 /nfs/dbraw/zinc/21/35/06/1006213506.db2.gz YCSBZCZGOIJIMI-HNNXBMFYSA-N 1 0 353.466 2.597 20 10 FFCDRO CC1(C)CC[NH2+][C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852869799 1006213725 /nfs/dbraw/zinc/21/37/25/1006213725.db2.gz LTMHDADWXGRRAZ-XJKSGUPXSA-N 1 0 367.440 2.761 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(CO)cc(C)n3)cc2F)CC1 ZINC000853293249 1006360136 /nfs/dbraw/zinc/36/01/36/1006360136.db2.gz DCJZNZBANYUQJW-UHFFFAOYSA-N 1 0 358.461 2.775 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815062229 1006505467 /nfs/dbraw/zinc/50/54/67/1006505467.db2.gz QDMXHKAJBZLEKW-UHFFFAOYSA-N 1 0 369.513 2.962 20 10 FFCDRO C[NH+]1CCC(c2ccc(C(=O)NCC(=O)c3ccc(O)c(O)c3)cc2)CC1 ZINC001188320971 1006511470 /nfs/dbraw/zinc/51/14/70/1006511470.db2.gz VZUXJRWCROENJO-UHFFFAOYSA-N 1 0 368.433 2.520 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3n2CCCCC3)[NH+](C)C)cc1 ZINC001134881630 1006518158 /nfs/dbraw/zinc/51/81/58/1006518158.db2.gz BRFDLNULKYBTRS-GOSISDBHSA-N 1 0 369.513 2.708 20 10 FFCDRO C[C@@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000854004983 1006625944 /nfs/dbraw/zinc/62/59/44/1006625944.db2.gz MQFDGWMLOYABIE-APWZRJJASA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1F ZINC000883280764 1006728556 /nfs/dbraw/zinc/72/85/56/1006728556.db2.gz MYRDZSPANRXWTQ-UHFFFAOYSA-N 1 0 360.408 2.850 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000854301302 1006767484 /nfs/dbraw/zinc/76/74/84/1006767484.db2.gz NDEGBNZDZLWIHG-QGZVFWFLSA-N 1 0 372.513 2.544 20 10 FFCDRO Cc1ccncc1[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883580911 1006885069 /nfs/dbraw/zinc/88/50/69/1006885069.db2.gz LWEXSXNZBKDPJI-KRWDZBQOSA-N 1 0 367.497 2.702 20 10 FFCDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1)N1CCOCC1 ZINC000816483233 1007062966 /nfs/dbraw/zinc/06/29/66/1007062966.db2.gz KPHXUFLRBTYMLO-GOSISDBHSA-N 1 0 354.450 2.616 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccc3ccccc3c2O)CC1)N1CCOCC1 ZINC000816482650 1007064028 /nfs/dbraw/zinc/06/40/28/1007064028.db2.gz OAVVERJFFQLCQK-UHFFFAOYSA-N 1 0 354.450 2.616 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775253814 1007095055 /nfs/dbraw/zinc/09/50/55/1007095055.db2.gz GDMLDTNWAWUWEV-LPHOPBHVSA-N 1 0 374.456 2.753 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816537069 1007101074 /nfs/dbraw/zinc/10/10/74/1007101074.db2.gz RODXUBGTZLMKDY-UHFFFAOYSA-N 1 0 350.418 2.960 20 10 FFCDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775255735 1007110878 /nfs/dbraw/zinc/11/08/78/1007110878.db2.gz PEUBKPFMTUAKEJ-SFHVURJKSA-N 1 0 367.493 2.799 20 10 FFCDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000775364903 1007505509 /nfs/dbraw/zinc/50/55/09/1007505509.db2.gz SEYCNJGGCGXBPR-GFCCVEGCSA-N 1 0 360.410 2.707 20 10 FFCDRO C[N@H+](CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000856213244 1007730252 /nfs/dbraw/zinc/73/02/52/1007730252.db2.gz ZVGAQXFWCXGNCN-UHFFFAOYSA-N 1 0 373.541 2.919 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)n(C)c1C ZINC000818221489 1007887799 /nfs/dbraw/zinc/88/77/99/1007887799.db2.gz NHHKFQLCZYEWEV-INIZCTEOSA-N 1 0 371.481 2.745 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000818221869 1007888037 /nfs/dbraw/zinc/88/80/37/1007888037.db2.gz USTUBURLQLMBSA-QGZVFWFLSA-N 1 0 374.506 2.715 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)CC2)cc1 ZINC000818329857 1007902779 /nfs/dbraw/zinc/90/27/79/1007902779.db2.gz GIRMIPWQZGPDQP-NTAIKFDKSA-N 1 0 373.541 2.610 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000856676436 1007943510 /nfs/dbraw/zinc/94/35/10/1007943510.db2.gz CQWXZNAKMXLYKF-HXUWFJFHSA-N 1 0 358.486 2.576 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000114583338 1007968062 /nfs/dbraw/zinc/96/80/62/1007968062.db2.gz AOYYPICQSMYODL-QGZVFWFLSA-N 1 0 361.417 2.642 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000114587937 1007969179 /nfs/dbraw/zinc/96/91/79/1007969179.db2.gz VCYFGRQMLMCAHI-IYBDPMFKSA-N 1 0 363.502 2.958 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000114592369 1007969479 /nfs/dbraw/zinc/96/94/79/1007969479.db2.gz XLBCTHWVEZDOKD-SFHVURJKSA-N 1 0 357.454 2.811 20 10 FFCDRO CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC000818954766 1007991379 /nfs/dbraw/zinc/99/13/79/1007991379.db2.gz WIPBXQQJWVVMJO-SFHVURJKSA-N 1 0 363.502 2.604 20 10 FFCDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953607 1007991679 /nfs/dbraw/zinc/99/16/79/1007991679.db2.gz KZZXBXNBEOEUPZ-GOSISDBHSA-N 1 0 371.437 2.725 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3ccc(C)cc3C)CC2)cc1 ZINC000819394311 1008113724 /nfs/dbraw/zinc/11/37/24/1008113724.db2.gz XNQHYKPAKRLFHO-FQEVSTJZSA-N 1 0 369.509 2.907 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1F ZINC000858102202 1008302077 /nfs/dbraw/zinc/30/20/77/1008302077.db2.gz UVKCAINVUJIODC-UHFFFAOYSA-N 1 0 374.435 2.820 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858306724 1008342808 /nfs/dbraw/zinc/34/28/08/1008342808.db2.gz PSCLYFGUGQTCJE-LFTXJPJQSA-N 1 0 366.509 2.651 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000858348738 1008349157 /nfs/dbraw/zinc/34/91/57/1008349157.db2.gz RSRDCCYBKIWIFJ-WIYYLYMNSA-N 1 0 361.530 2.755 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc2ccccc2c1O ZINC000858488922 1008368481 /nfs/dbraw/zinc/36/84/81/1008368481.db2.gz NVMDHMRWJMLWCZ-GOEBONIOSA-N 1 0 374.448 2.913 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(N(C)C)cc1 ZINC000858565444 1008383384 /nfs/dbraw/zinc/38/33/84/1008383384.db2.gz PPWPEUXVBGCWLT-UWJYYQICSA-N 1 0 354.498 2.699 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c2c1c(F)ccc2O ZINC000858565614 1008383456 /nfs/dbraw/zinc/38/34/56/1008383456.db2.gz VHKIOTDZWDBBTD-QGPMSJSTSA-N 1 0 371.456 2.965 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000859379678 1008508469 /nfs/dbraw/zinc/50/84/69/1008508469.db2.gz OWZHGPOFWYKNHK-LJQANCHMSA-N 1 0 367.493 2.859 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(-n3cncn3)nc2)cc1F ZINC001177256428 1008542559 /nfs/dbraw/zinc/54/25/59/1008542559.db2.gz FZJMPYDHOJIUSU-UHFFFAOYSA-N 1 0 354.433 2.937 20 10 FFCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113665 1008565138 /nfs/dbraw/zinc/56/51/38/1008565138.db2.gz HIZLXQJEUVLNGD-CCKFTAQKSA-N 1 0 355.486 2.721 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1F ZINC000859757308 1008652547 /nfs/dbraw/zinc/65/25/47/1008652547.db2.gz CHLFOZRHQGTNHJ-UHFFFAOYSA-N 1 0 358.417 2.695 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(F)cn1 ZINC000886749473 1008859549 /nfs/dbraw/zinc/85/95/49/1008859549.db2.gz UBMBHMJJSPDLSH-AWEZNQCLSA-N 1 0 356.445 2.773 20 10 FFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCOC1 ZINC000886785152 1008877412 /nfs/dbraw/zinc/87/74/12/1008877412.db2.gz KBXMPRFZPWVKQY-SUMDDJOVSA-N 1 0 366.477 2.755 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c2cc(F)ccc2n1C ZINC001206620588 1032368124 /nfs/dbraw/zinc/36/81/24/1032368124.db2.gz KUMKRNGVWXNCJJ-HXUWFJFHSA-N 1 0 360.429 2.841 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)Cc1ccc(F)cc1 ZINC000823576765 1009116700 /nfs/dbraw/zinc/11/67/00/1009116700.db2.gz XZSYKVGQMMYPJO-GOSISDBHSA-N 1 0 361.413 2.500 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CC3CC[NH+](C)CC3)C2)cc1 ZINC000823725479 1009205413 /nfs/dbraw/zinc/20/54/13/1009205413.db2.gz CHUHKYGLIJOFDI-GOSISDBHSA-N 1 0 374.529 2.505 20 10 FFCDRO CCC[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC[N@@H+]1CCOC ZINC001179980200 1009516099 /nfs/dbraw/zinc/51/60/99/1009516099.db2.gz OQENPJWRQBYXGI-MRXNPFEDSA-N 1 0 355.473 2.964 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1C ZINC000861809717 1009566864 /nfs/dbraw/zinc/56/68/64/1009566864.db2.gz ZGEADAIZQLYSEN-GHTZIAJQSA-N 1 0 365.477 2.991 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC001180513343 1009711715 /nfs/dbraw/zinc/71/17/15/1009711715.db2.gz CXFVPMVNYKSQLA-UHFFFAOYSA-N 1 0 366.469 2.515 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000862252922 1009766144 /nfs/dbraw/zinc/76/61/44/1009766144.db2.gz IHUYOUYOVRZXTL-KXBFYZLASA-N 1 0 364.440 2.852 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000862472424 1009851633 /nfs/dbraw/zinc/85/16/33/1009851633.db2.gz ZOCDKAOKUKMOAI-UHFFFAOYSA-N 1 0 354.498 2.965 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)CC(F)(F)F)cc2)CC1 ZINC000889665339 1010046290 /nfs/dbraw/zinc/04/62/90/1010046290.db2.gz LVGBMBQYZDEYGG-UHFFFAOYSA-N 1 0 372.435 2.969 20 10 FFCDRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773160963 1010057284 /nfs/dbraw/zinc/05/72/84/1010057284.db2.gz IYGJNPANNVFTSI-BBWFWOEESA-N 1 0 362.518 2.612 20 10 FFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001181457979 1010106601 /nfs/dbraw/zinc/10/66/01/1010106601.db2.gz SIVHRHBBYYPCCE-SFHVURJKSA-N 1 0 363.502 2.998 20 10 FFCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001181588630 1010160752 /nfs/dbraw/zinc/16/07/52/1010160752.db2.gz IUIAKBKVSKZBPI-HNNXBMFYSA-N 1 0 366.458 2.852 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(O)c1 ZINC001182139487 1010395289 /nfs/dbraw/zinc/39/52/89/1010395289.db2.gz KSUDLCVBKWXMLO-GFCCVEGCSA-N 1 0 360.376 2.600 20 10 FFCDRO COc1cccc(C2([NH3+])CCN(C(=O)CCc3ccc(O)c(O)c3)CC2)c1 ZINC001182157026 1010404661 /nfs/dbraw/zinc/40/46/61/1010404661.db2.gz FELCSNSUFCFUJG-UHFFFAOYSA-N 1 0 370.449 2.516 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccns3)C[C@H]2C)cc1C ZINC001093802914 1010581155 /nfs/dbraw/zinc/58/11/55/1010581155.db2.gz MKRJEHDVBYXHSF-GDBMZVCRSA-N 1 0 359.495 2.958 20 10 FFCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000794801340 1010632231 /nfs/dbraw/zinc/63/22/31/1010632231.db2.gz IMSZILVGYUKALL-HXUWFJFHSA-N 1 0 354.498 2.796 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc([C@@H](C)O)cn3)CC2)cc1 ZINC000865415874 1010778840 /nfs/dbraw/zinc/77/88/40/1010778840.db2.gz RFTWZXCUNPWUMI-QGZVFWFLSA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865715231 1010848220 /nfs/dbraw/zinc/84/82/20/1010848220.db2.gz MGGYQKRFROZSRT-OAQYLSRUSA-N 1 0 358.457 2.746 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)C[C@H]2C)cc1C ZINC001094134621 1010880156 /nfs/dbraw/zinc/88/01/56/1010880156.db2.gz DZGZZYIFEAKYJR-BLIXFSHQSA-N 1 0 360.498 2.614 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)cc1C ZINC001094234106 1010976815 /nfs/dbraw/zinc/97/68/15/1010976815.db2.gz KYNAGQVGTGEAGU-SJLPKXTDSA-N 1 0 355.482 2.759 20 10 FFCDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(N2CCCCC2)cc1 ZINC000866519187 1011007727 /nfs/dbraw/zinc/00/77/27/1011007727.db2.gz NSTGFZGZJAAYCT-OXJNMPFZSA-N 1 0 359.470 2.549 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1cc(Cl)ccc1O ZINC000866521282 1011008640 /nfs/dbraw/zinc/00/86/40/1011008640.db2.gz JGLYWZGRXUDPRD-GFCCVEGCSA-N 1 0 373.840 2.948 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[N@@H+]1C1CC1 ZINC000121952904 1011133607 /nfs/dbraw/zinc/13/36/07/1011133607.db2.gz FWSRABBEAHCLGT-NVXWUHKLSA-N 1 0 374.554 2.664 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868235800 1011209212 /nfs/dbraw/zinc/20/92/12/1011209212.db2.gz HRTYGANMQBZSEW-ZWKOTPCHSA-N 1 0 367.449 2.584 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)CN1CC(F)(F)F ZINC001275035223 1011842473 /nfs/dbraw/zinc/84/24/73/1011842473.db2.gz OKYQXLSOEOCUBU-UHFFFAOYSA-N 1 0 372.387 2.865 20 10 FFCDRO CC(C)(C)C(=O)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275227728 1012105982 /nfs/dbraw/zinc/10/59/82/1012105982.db2.gz ITZJGRLFIICTKV-INIZCTEOSA-N 1 0 358.482 2.726 20 10 FFCDRO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275253467 1012150739 /nfs/dbraw/zinc/15/07/39/1012150739.db2.gz BDWKQFJBRBXDGF-SFHVURJKSA-N 1 0 352.862 2.505 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173051021 1012209598 /nfs/dbraw/zinc/20/95/98/1012209598.db2.gz MZSRIDOCJGWPNC-IFIJOSMWSA-N 1 0 366.458 2.509 20 10 FFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001275675651 1012821208 /nfs/dbraw/zinc/82/12/08/1012821208.db2.gz HWVOGJLGPBFKPC-HIFRSBDPSA-N 1 0 362.470 2.623 20 10 FFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001275675650 1012823234 /nfs/dbraw/zinc/82/32/34/1012823234.db2.gz HWVOGJLGPBFKPC-DZGCQCFKSA-N 1 0 362.470 2.623 20 10 FFCDRO [NH3+]Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)co1 ZINC000828359369 1032677702 /nfs/dbraw/zinc/67/77/02/1032677702.db2.gz SIARLRAWABDMNA-UHFFFAOYSA-N 1 0 365.380 2.739 20 10 FFCDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000827157674 1017561585 /nfs/dbraw/zinc/56/15/85/1017561585.db2.gz GJBRPWNMDAQSNI-UHFFFAOYSA-N 1 0 355.482 2.511 20 10 FFCDRO CCn1nc(C)c([C@H](C)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000924996573 1017575188 /nfs/dbraw/zinc/57/51/88/1017575188.db2.gz ZZTGKAMEMXRNQM-HNNXBMFYSA-N 1 0 374.508 2.738 20 10 FFCDRO C[C@@H]([NH3+])[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000925503498 1017770214 /nfs/dbraw/zinc/77/02/14/1017770214.db2.gz NIJCTQJHNQVUDR-VFNWGFHPSA-N 1 0 357.473 2.965 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)oc1C ZINC000827662331 1018602582 /nfs/dbraw/zinc/60/25/82/1018602582.db2.gz PVWDXFFURGNBIZ-UHFFFAOYSA-N 1 0 358.438 2.626 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nncn3Cc3ccccc3)cc2)CC1 ZINC000777743348 1019244000 /nfs/dbraw/zinc/24/40/00/1019244000.db2.gz RVXBDBHYVBLRKF-UHFFFAOYSA-N 1 0 362.481 2.690 20 10 FFCDRO C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000390919374 1019905730 /nfs/dbraw/zinc/90/57/30/1019905730.db2.gz WCKFFHYMNZRCGY-QGZVFWFLSA-N 1 0 357.473 3.000 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1F ZINC000800226199 1020121807 /nfs/dbraw/zinc/12/18/07/1020121807.db2.gz ZKJFXMZRTPJOOX-QGZVFWFLSA-N 1 0 371.456 2.826 20 10 FFCDRO COCCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 ZINC000800286788 1020189623 /nfs/dbraw/zinc/18/96/23/1020189623.db2.gz CAIDIDVZXFSHIB-UHFFFAOYSA-N 1 0 373.457 2.718 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900188427 1020254491 /nfs/dbraw/zinc/25/44/91/1020254491.db2.gz VXFBEGIYISPNDA-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c(O)c1 ZINC000725843938 1020269130 /nfs/dbraw/zinc/26/91/30/1020269130.db2.gz HYJYNOIBRPBWIO-SFHVURJKSA-N 1 0 360.454 2.855 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000725847941 1020269468 /nfs/dbraw/zinc/26/94/68/1020269468.db2.gz KHMWOFFECZUYBR-UHFFFAOYSA-N 1 0 370.449 2.553 20 10 FFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(N2CCOC2=O)cc1 ZINC000725848573 1020270252 /nfs/dbraw/zinc/27/02/52/1020270252.db2.gz YOLZYZGOLYSGTI-LBPRGKRZSA-N 1 0 356.378 2.928 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(CN4CCNC4=O)CC3)c2c1 ZINC000902586362 1020311387 /nfs/dbraw/zinc/31/13/87/1020311387.db2.gz XAJKHLMEVPJLHB-UHFFFAOYSA-N 1 0 369.465 2.791 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1F ZINC000800899554 1020633019 /nfs/dbraw/zinc/63/30/19/1020633019.db2.gz OBEMUENIZOTNSQ-QGZVFWFLSA-N 1 0 371.456 2.661 20 10 FFCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903087662 1020671078 /nfs/dbraw/zinc/67/10/78/1020671078.db2.gz GEDDFJWATCZLJI-HKUYNNGSSA-N 1 0 368.424 2.794 20 10 FFCDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000903093087 1020673732 /nfs/dbraw/zinc/67/37/32/1020673732.db2.gz GZODQQOGVIGUEA-ICSRJNTNSA-N 1 0 359.514 2.826 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCn3ccnc3C2)ccc1N1CCCCC1 ZINC000778188665 1021078708 /nfs/dbraw/zinc/07/87/08/1021078708.db2.gz ZOENLJNKCQSSJP-INIZCTEOSA-N 1 0 355.442 2.886 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218023437 1032958343 /nfs/dbraw/zinc/95/83/43/1032958343.db2.gz IHCKPQQBDDHXSQ-MLGOLLRUSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001116584519 1021294904 /nfs/dbraw/zinc/29/49/04/1021294904.db2.gz HJOTXWZIYPPAQA-GDBMZVCRSA-N 1 0 360.479 2.817 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934640497 1021315682 /nfs/dbraw/zinc/31/56/82/1021315682.db2.gz UUFQRPMEOYJOAT-NRFANRHFSA-N 1 0 360.498 2.541 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCc4[nH]c(=O)ccc43)cc2F)CC1 ZINC001117583740 1021767592 /nfs/dbraw/zinc/76/75/92/1021767592.db2.gz WRMHJILCPAHPIB-SFHVURJKSA-N 1 0 370.472 2.845 20 10 FFCDRO Cc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218116269 1033004218 /nfs/dbraw/zinc/00/42/18/1033004218.db2.gz JDPYZVNJLYCJEP-HTAPYJJXSA-N 1 0 363.413 2.997 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccccc1O ZINC000155562846 1022266232 /nfs/dbraw/zinc/26/62/32/1022266232.db2.gz QVWMKEVWSBHEGO-JXFKEZNVSA-N 1 0 353.422 2.688 20 10 FFCDRO Cc1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218253443 1033070241 /nfs/dbraw/zinc/07/02/41/1033070241.db2.gz XIDTUBSDZLJGGJ-WOSRLPQWSA-N 1 0 363.413 2.995 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000159690112 1022764030 /nfs/dbraw/zinc/76/40/30/1022764030.db2.gz AXMUOCABNYMOEU-BEFAXECRSA-N 1 0 369.465 2.721 20 10 FFCDRO CC(C)[C@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000829296834 1033086652 /nfs/dbraw/zinc/08/66/52/1033086652.db2.gz OZYAQQFUUBZKAV-UYAOXDASSA-N 1 0 359.514 2.506 20 10 FFCDRO CC(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)[nH]1 ZINC000829297271 1033087833 /nfs/dbraw/zinc/08/78/33/1033087833.db2.gz ZFHLHYIETPTKAH-UHFFFAOYSA-N 1 0 368.481 2.592 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)c2)CC1 ZINC000189837530 1023350528 /nfs/dbraw/zinc/35/05/28/1023350528.db2.gz FGDNYQKIAIOEOB-UHFFFAOYSA-N 1 0 369.425 2.571 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C)[C@@H]3CC[NH3+])CC2)cc1 ZINC001120589537 1023373548 /nfs/dbraw/zinc/37/35/48/1023373548.db2.gz PBCBOEIFFPVONQ-UZLBHIALSA-N 1 0 374.529 2.823 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000753743842 1023374728 /nfs/dbraw/zinc/37/47/28/1023374728.db2.gz KMHZDQJUIJRYPT-UZLBHIALSA-N 1 0 352.482 2.989 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(OC(C)=O)CC2)c1O ZINC000753806130 1023383756 /nfs/dbraw/zinc/38/37/56/1023383756.db2.gz QJCSQKXWYKUVNF-UHFFFAOYSA-N 1 0 357.406 2.860 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)c3ccc(C)cc3)CC2)cc1 ZINC000754026516 1023416637 /nfs/dbraw/zinc/41/66/37/1023416637.db2.gz UBIZEVKOTICPNY-NRFANRHFSA-N 1 0 369.509 2.623 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000754107829 1023426442 /nfs/dbraw/zinc/42/64/42/1023426442.db2.gz VVGSQPNFDIBOES-RXVVDRJESA-N 1 0 369.509 2.529 20 10 FFCDRO Cc1cc(O[C@H]2C[NH2+]CCC23CC3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218407730 1033142424 /nfs/dbraw/zinc/14/24/24/1033142424.db2.gz YVVZQXJMOMJSFU-KRWDZBQOSA-N 1 0 363.413 2.997 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000756527008 1023723002 /nfs/dbraw/zinc/72/30/02/1023723002.db2.gz VIUJTVVGEZTSMI-RNODOKPDSA-N 1 0 353.422 2.606 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c1C ZINC000756527503 1023724158 /nfs/dbraw/zinc/72/41/58/1023724158.db2.gz YZPTWKFYXCUZMT-SZNDQCEHSA-N 1 0 367.449 2.914 20 10 FFCDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4c([O-])cccc4F)C[C@@H]3C2=O)c1 ZINC001137835832 1033173915 /nfs/dbraw/zinc/17/39/15/1033173915.db2.gz PMFLPEXHLDDRAL-IRXDYDNUSA-N 1 0 354.425 2.930 20 10 FFCDRO CCC(CC)[C@H](CNC(=O)N(C)Cc1ccccc1O)N1CCOCC1 ZINC000079108619 1024170604 /nfs/dbraw/zinc/17/06/04/1024170604.db2.gz XSHUJDIGVONBJH-SFHVURJKSA-N 1 0 363.502 2.671 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000758719883 1024267334 /nfs/dbraw/zinc/26/73/34/1024267334.db2.gz JNRDLCWUJRXRPI-PKOBYXMFSA-N 1 0 374.529 2.758 20 10 FFCDRO CC(C)[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000193135818 1024398337 /nfs/dbraw/zinc/39/83/37/1024398337.db2.gz GMVMGPMCMJVLPH-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(O)cc1C ZINC000758974283 1024405515 /nfs/dbraw/zinc/40/55/15/1024405515.db2.gz RGHCPOJKXNPQRA-INIZCTEOSA-N 1 0 367.449 2.742 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000759172029 1024504663 /nfs/dbraw/zinc/50/46/63/1024504663.db2.gz PBBLTVICIUHMNH-QZTJIDSGSA-N 1 0 359.514 2.760 20 10 FFCDRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000759693145 1024725130 /nfs/dbraw/zinc/72/51/30/1024725130.db2.gz SJFKSVJJLNSAPM-IBGZPJMESA-N 1 0 372.557 2.661 20 10 FFCDRO CC(C)CCOC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194337431 1024786541 /nfs/dbraw/zinc/78/65/41/1024786541.db2.gz WOGZZBAXGHGLMU-UHFFFAOYSA-N 1 0 361.530 2.896 20 10 FFCDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C12CCCC2 ZINC000829629685 1033255983 /nfs/dbraw/zinc/25/59/83/1033255983.db2.gz LGZNZBINRZPUAE-MOPGFXCFSA-N 1 0 359.514 2.696 20 10 FFCDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141141579 1025509142 /nfs/dbraw/zinc/50/91/42/1025509142.db2.gz SODJHGSYALFPJF-UHFFFAOYSA-N 1 0 352.482 2.958 20 10 FFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141141490 1025510053 /nfs/dbraw/zinc/51/00/53/1025510053.db2.gz SFFQPZVJJUCLGZ-RXVVDRJESA-N 1 0 360.498 2.923 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc21 ZINC001141145548 1025520775 /nfs/dbraw/zinc/52/07/75/1025520775.db2.gz VUCRAZFKJZDJNW-NVXWUHKLSA-N 1 0 359.470 2.566 20 10 FFCDRO CN1CCOc2cc(C[N@H+](C)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)ccc21 ZINC001141145658 1025523541 /nfs/dbraw/zinc/52/35/41/1025523541.db2.gz FQVMSTAMRGVYSY-MNZLEMJZSA-N 1 0 373.497 2.812 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141158997 1025540912 /nfs/dbraw/zinc/54/09/12/1025540912.db2.gz VEQURSMUQLHTSQ-OAQYLSRUSA-N 1 0 367.449 2.508 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001141162728 1025546344 /nfs/dbraw/zinc/54/63/44/1025546344.db2.gz BGDUBHLLNNBLBH-ZDUSSCGKSA-N 1 0 369.343 2.950 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000247094969 1026700276 /nfs/dbraw/zinc/70/02/76/1026700276.db2.gz PRPAJIRFKDILGW-MAUKXSAKSA-N 1 0 372.465 2.962 20 10 FFCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000091790406 1027055858 /nfs/dbraw/zinc/05/58/58/1027055858.db2.gz UTANMYLOAOUSHY-UHFFFAOYSA-N 1 0 356.466 2.526 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1O ZINC000092614468 1027380284 /nfs/dbraw/zinc/38/02/84/1027380284.db2.gz MLUKBANHLYVDHV-UHFFFAOYSA-N 1 0 366.412 2.700 20 10 FFCDRO O=C(c1ccccc1)c1ccccc1Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001159477143 1027404313 /nfs/dbraw/zinc/40/43/13/1027404313.db2.gz GECQISBRMMSNQA-UHFFFAOYSA-N 1 0 359.433 2.861 20 10 FFCDRO COc1nccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616542 1027777972 /nfs/dbraw/zinc/77/79/72/1027777972.db2.gz MTYSULIKYXYWLD-IAGOWNOFSA-N 1 0 352.394 2.750 20 10 FFCDRO O=C(CC1CC[NH2+]CC1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161531528 1028218917 /nfs/dbraw/zinc/21/89/17/1028218917.db2.gz HDSHDHBJFHKUBG-UHFFFAOYSA-N 1 0 371.403 2.624 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(C)cc3N)CC2)cc1 ZINC001156260789 1029116376 /nfs/dbraw/zinc/11/63/76/1029116376.db2.gz LYCRKZNKFLMSDP-UHFFFAOYSA-N 1 0 355.486 2.605 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccn4ccnc4c3)CC2)cc1 ZINC001164330085 1029246560 /nfs/dbraw/zinc/24/65/60/1029246560.db2.gz JHPMUMJGCCWKTD-UHFFFAOYSA-N 1 0 365.481 2.967 20 10 FFCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)n1 ZINC000781528419 1029257576 /nfs/dbraw/zinc/25/75/76/1029257576.db2.gz ACUVUSCDRAEOKP-UHFFFAOYSA-N 1 0 374.460 2.907 20 10 FFCDRO CC(=O)Nc1c(C)ccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156657220 1029291448 /nfs/dbraw/zinc/29/14/48/1029291448.db2.gz HWZMSFJVXCXBOL-UHFFFAOYSA-N 1 0 353.470 2.712 20 10 FFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(-c2ccncc2)n1 ZINC001156658601 1029294535 /nfs/dbraw/zinc/29/45/35/1029294535.db2.gz XAJCLNYSGOUQMG-UHFFFAOYSA-N 1 0 374.492 2.633 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000694750822 1029838938 /nfs/dbraw/zinc/83/89/38/1029838938.db2.gz BHVZIBUAIMFZER-HKUYNNGSSA-N 1 0 369.509 2.868 20 10 FFCDRO CC(C)CN1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CCN2C1=O ZINC000782887075 1029845253 /nfs/dbraw/zinc/84/52/53/1029845253.db2.gz TTXFCDCGJRHNPT-IBGZPJMESA-N 1 0 357.498 2.849 20 10 FFCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1=O ZINC000840936796 1029933406 /nfs/dbraw/zinc/93/34/06/1029933406.db2.gz GJQKTXHMJWNHSP-SFHVURJKSA-N 1 0 353.466 2.965 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000840946922 1029941833 /nfs/dbraw/zinc/94/18/33/1029941833.db2.gz FZYZOLJCANTZCH-UHFFFAOYSA-N 1 0 351.450 2.837 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000841013092 1029976740 /nfs/dbraw/zinc/97/67/40/1029976740.db2.gz JOQMLZARPQJGIW-UHFFFAOYSA-N 1 0 368.481 2.589 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000841041706 1029995214 /nfs/dbraw/zinc/99/52/14/1029995214.db2.gz AMKMROXPFZFPFP-OAQYLSRUSA-N 1 0 367.472 2.926 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccnn2-c2ccc(F)cc2)cc1 ZINC000841042755 1029997915 /nfs/dbraw/zinc/99/79/15/1029997915.db2.gz NGKDESVYOKNETH-FQEVSTJZSA-N 1 0 353.445 2.867 20 10 FFCDRO CC(=O)N(c1nc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1)C1CC1 ZINC000841042829 1029998495 /nfs/dbraw/zinc/99/84/95/1029998495.db2.gz LLAJMBFIFRPARL-SFHVURJKSA-N 1 0 373.526 2.514 20 10 FFCDRO CC(C)COC(=O)N1CCC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841044617 1029998625 /nfs/dbraw/zinc/99/86/25/1029998625.db2.gz DRGAWDHIEMUOLA-LJQANCHMSA-N 1 0 362.518 2.599 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000841125458 1030057582 /nfs/dbraw/zinc/05/75/82/1030057582.db2.gz MOAZPJYKNXEGKV-UHFFFAOYSA-N 1 0 369.465 2.879 20 10 FFCDRO CO[C@H](CC(C)C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841166036 1030083351 /nfs/dbraw/zinc/08/33/51/1030083351.db2.gz JLJXZHBUDKFKHK-OAQYLSRUSA-N 1 0 373.541 2.896 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)NCCc3ccc(N)cc3)c2)CC1 ZINC000841195009 1030102953 /nfs/dbraw/zinc/10/29/53/1030102953.db2.gz UCXUMGJFSQQUHQ-UHFFFAOYSA-N 1 0 367.497 2.775 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3ccc4c(c3)C[NH2+]CCO4)ccc21 ZINC000841327008 1030199460 /nfs/dbraw/zinc/19/94/60/1030199460.db2.gz WXUFEWNJJZMKAR-UHFFFAOYSA-N 1 0 366.465 2.873 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/c3ccoc3)CC2)cc1 ZINC001142265385 1030237571 /nfs/dbraw/zinc/23/75/71/1030237571.db2.gz JNISVNTYOCKEGY-FPYGCLRLSA-N 1 0 369.465 2.630 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@H](c2cncn2C)CC1=O ZINC000783977525 1030384841 /nfs/dbraw/zinc/38/48/41/1030384841.db2.gz UPEJGQVHHFNHQW-GOSISDBHSA-N 1 0 369.513 2.670 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1F ZINC000841759686 1030446571 /nfs/dbraw/zinc/44/65/71/1030446571.db2.gz HMLKVMGLDDWUJL-GOSISDBHSA-N 1 0 362.493 2.811 20 10 FFCDRO CN(c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1)C1CCCCC1 ZINC000841760171 1030448237 /nfs/dbraw/zinc/44/82/37/1030448237.db2.gz RLZGGNAPTHDYLR-FQEVSTJZSA-N 1 0 374.529 2.633 20 10 FFCDRO COc1cccc(O)c1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000842213449 1030645654 /nfs/dbraw/zinc/64/56/54/1030645654.db2.gz AZSNIGILEAHZMD-UHFFFAOYSA-N 1 0 369.465 2.839 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCOCC1 ZINC000784567104 1030686671 /nfs/dbraw/zinc/68/66/71/1030686671.db2.gz WCQBPDXSHLJUCW-HXUWFJFHSA-N 1 0 371.525 2.652 20 10 FFCDRO Oc1ccccc1C[NH+]1CCC2(CC1)COCCN(c1nccs1)C2 ZINC001203552260 1030764990 /nfs/dbraw/zinc/76/49/90/1030764990.db2.gz GUBKVNYEWKXZCX-UHFFFAOYSA-N 1 0 359.495 2.968 20 10 FFCDRO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4ccccc4O)CC[C@@H]3C2)cs1 ZINC001203556983 1030766132 /nfs/dbraw/zinc/76/61/32/1030766132.db2.gz YNNGIFRCFWEFIC-YLJYHZDGSA-N 1 0 373.522 2.880 20 10 FFCDRO COC[C@@H]1CN(Cc2cccc(OC)c2O)Cc2nn(CC3CC3)cc21 ZINC001203592636 1030774680 /nfs/dbraw/zinc/77/46/80/1030774680.db2.gz SYGPLXOIACKTEN-INIZCTEOSA-N 1 0 357.454 2.753 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(O)c1 ZINC001203629406 1030795760 /nfs/dbraw/zinc/79/57/60/1030795760.db2.gz IQHWUEWSXFCKAY-LJQANCHMSA-N 1 0 352.434 2.854 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001203634963 1030799255 /nfs/dbraw/zinc/79/92/55/1030799255.db2.gz CUUVUIKOUSUONP-CYBMUJFWSA-N 1 0 369.343 2.863 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001203648396 1030805795 /nfs/dbraw/zinc/80/57/95/1030805795.db2.gz KFDGAPPBPAFBJQ-CQSZACIVSA-N 1 0 364.243 2.988 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC001203673160 1030821046 /nfs/dbraw/zinc/82/10/46/1030821046.db2.gz PFBYYSCXRZYOIP-ZAAXVRCTSA-N 1 0 370.449 2.854 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)cc1O ZINC001203877522 1030952797 /nfs/dbraw/zinc/95/27/97/1030952797.db2.gz HOOURWZXFXJJDN-UHFFFAOYSA-N 1 0 358.438 2.558 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)cc1 ZINC001203942904 1030999470 /nfs/dbraw/zinc/99/94/70/1030999470.db2.gz YAXDHBDQLACPRN-UHFFFAOYSA-N 1 0 359.514 2.792 20 10 FFCDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N(C)C)c3ccccc23)O1 ZINC001204235049 1031179034 /nfs/dbraw/zinc/17/90/34/1031179034.db2.gz DWRPNMXESVMPFX-NJDAHSKKSA-N 1 0 367.493 2.726 20 10 FFCDRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204272668 1031198198 /nfs/dbraw/zinc/19/81/98/1031198198.db2.gz GHAHXLNFGWCNCC-UHFFFAOYSA-N 1 0 356.422 2.962 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001204280745 1031206181 /nfs/dbraw/zinc/20/61/81/1031206181.db2.gz DKHGWKRAYYELIM-LBPRGKRZSA-N 1 0 355.316 2.560 20 10 FFCDRO CS(=O)(=O)c1cccc([C@@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204279999 1031206933 /nfs/dbraw/zinc/20/69/33/1031206933.db2.gz HYFLNFPNMSOYER-OAHLLOKOSA-N 1 0 361.463 2.881 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N3CCCC3)cc2)O1 ZINC001204327542 1031229920 /nfs/dbraw/zinc/22/99/20/1031229920.db2.gz YESPACPCDQUUEH-AQNXPRMDSA-N 1 0 357.498 2.543 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC3(CCC(=O)O3)CC2)c1O ZINC001204339477 1031235256 /nfs/dbraw/zinc/23/52/56/1031235256.db2.gz KTZXBRRSXZYAES-UHFFFAOYSA-N 1 0 370.243 2.835 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc(O)c1O ZINC001204346048 1031241955 /nfs/dbraw/zinc/24/19/55/1031241955.db2.gz KIMRJIIVUFYGFH-QFBILLFUSA-N 1 0 370.449 2.730 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204346683 1031242802 /nfs/dbraw/zinc/24/28/02/1031242802.db2.gz VQBJKZBZBYLUSV-CQSZACIVSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1cc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc(O)c1O ZINC001204348755 1031245018 /nfs/dbraw/zinc/24/50/18/1031245018.db2.gz OONHGXNIGXGOCE-CQSZACIVSA-N 1 0 374.485 2.720 20 10 FFCDRO COC(=O)c1c(C)[nH]c(C(=O)CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843350250 1031340740 /nfs/dbraw/zinc/34/07/40/1031340740.db2.gz KKXNJLPKHRCCCM-UHFFFAOYSA-N 1 0 355.438 2.512 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1cccc(C)c1O)Cc1ccc(OC)c(F)c1 ZINC000843415354 1031389102 /nfs/dbraw/zinc/38/91/02/1031389102.db2.gz SOGUXOXEEHMAGB-MRXNPFEDSA-N 1 0 360.429 2.543 20 10 FFCDRO C[NH2+][C@H](C(=O)Nc1ccc(/C=C/c2ccc(N(C)C)cc2)cc1)[C@@H](C)O ZINC001219203298 1033554743 /nfs/dbraw/zinc/55/47/43/1033554743.db2.gz CUYUALZIMIFSOA-ONYHAXFOSA-N 1 0 353.466 2.830 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC001219492937 1033668333 /nfs/dbraw/zinc/66/83/33/1033668333.db2.gz GTALAACSCFTIJT-IAGOWNOFSA-N 1 0 353.426 2.979 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC001219614266 1033716132 /nfs/dbraw/zinc/71/61/32/1033716132.db2.gz WCPFGIJBVSJMJM-KRWDZBQOSA-N 1 0 367.371 2.824 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657853 1033729295 /nfs/dbraw/zinc/72/92/95/1033729295.db2.gz LVRSBAXZMAWDDZ-XYPHTWIQSA-N 1 0 367.440 2.761 20 10 FFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220831 1033972160 /nfs/dbraw/zinc/97/21/60/1033972160.db2.gz OZUNUGXLGZETJG-HXUWFJFHSA-N 1 0 359.514 2.794 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2c(C)n(C)c4ccccc42)C3)n1 ZINC001138255846 1034023956 /nfs/dbraw/zinc/02/39/56/1034023956.db2.gz VOJUFYKTBFJBJU-FOIQADDNSA-N 1 0 352.438 2.578 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ncccc1F ZINC000831561751 1034124962 /nfs/dbraw/zinc/12/49/62/1034124962.db2.gz VRHCFMKFGDCQFX-UHFFFAOYSA-N 1 0 368.456 2.683 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)cc1 ZINC000831749027 1034255431 /nfs/dbraw/zinc/25/54/31/1034255431.db2.gz VVSZNCYVEUJLTM-UAZFBGOLSA-N 1 0 371.525 2.791 20 10 FFCDRO Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499844 1034342787 /nfs/dbraw/zinc/34/27/87/1034342787.db2.gz LLUIRBMJBTWRGK-HXUWFJFHSA-N 1 0 368.481 2.665 20 10 FFCDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001221011547 1034497811 /nfs/dbraw/zinc/49/78/11/1034497811.db2.gz OOQFFXLZTRTDKA-INIZCTEOSA-N 1 0 353.470 2.568 20 10 FFCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676672 1034537144 /nfs/dbraw/zinc/53/71/44/1034537144.db2.gz RINLAZBPHJVOTR-HNNXBMFYSA-N 1 0 369.303 2.897 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)[C@H]1CCOC1 ZINC001138677948 1034537494 /nfs/dbraw/zinc/53/74/94/1034537494.db2.gz RPKIFNBMAPAJJZ-AWEZNQCLSA-N 1 0 355.276 2.506 20 10 FFCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138680531 1034539556 /nfs/dbraw/zinc/53/95/56/1034539556.db2.gz OKPXCGHUEUDWNY-UKRRQHHQSA-N 1 0 369.303 2.631 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCOc2cccc(F)c2)cc1 ZINC000832278227 1034697286 /nfs/dbraw/zinc/69/72/86/1034697286.db2.gz BYJXWPKNUMDIOC-IBGZPJMESA-N 1 0 359.445 2.867 20 10 FFCDRO CCOCCOc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280543 1034699028 /nfs/dbraw/zinc/69/90/28/1034699028.db2.gz PJNWAWYXIQCKLR-LJQANCHMSA-N 1 0 371.481 2.598 20 10 FFCDRO Cc1cc(C)c(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832283991 1034700926 /nfs/dbraw/zinc/70/09/26/1034700926.db2.gz FFXALQQINPEDKN-LJQANCHMSA-N 1 0 355.482 2.873 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000832284859 1034701729 /nfs/dbraw/zinc/70/17/29/1034701729.db2.gz NMQNJOIGZIDQRR-IBGZPJMESA-N 1 0 366.465 2.531 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(C)c(C)c1)cc2=O ZINC000832634906 1034888954 /nfs/dbraw/zinc/88/89/54/1034888954.db2.gz XGKIVAWBKXJLQA-UHFFFAOYSA-N 1 0 368.437 2.860 20 10 FFCDRO COc1cc(CN2CCC(C(=O)C(F)(F)F)CC2)cc(C[NH+](C)C)c1O ZINC001139256657 1035030501 /nfs/dbraw/zinc/03/05/01/1035030501.db2.gz GIHOMGTYEYNQIP-UHFFFAOYSA-N 1 0 374.403 2.806 20 10 FFCDRO CCOCc1noc2c1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001139410501 1035093486 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362.445 2.570 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3c(C)ccc(C)c3O)CC2)[C@H](COC)C1=O ZINC001140179872 1035369988 /nfs/dbraw/zinc/36/99/88/1035369988.db2.gz AIAKCOKPIRAQBP-GOSISDBHSA-N 1 0 360.498 2.716 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CC4(C3)CC(F)(F)CS4)cc2)CC1 ZINC001140288148 1035420249 /nfs/dbraw/zinc/42/02/49/1035420249.db2.gz PHOAOUPPVPYACJ-UHFFFAOYSA-N 1 0 354.466 2.974 20 10 FFCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CCOc1ccccc1 ZINC000834669391 1035426789 /nfs/dbraw/zinc/42/67/89/1035426789.db2.gz XLJOTAKDENCCTA-WMZOPIPTSA-N 1 0 352.434 2.649 20 10 FFCDRO OC[C@@]1([NH2+][C@@H]2CCc3cccc(O)c32)CCCN(Cc2ccccc2)C1 ZINC000834722724 1035436540 /nfs/dbraw/zinc/43/65/40/1035436540.db2.gz YKMJDLWIBCRVSO-DENIHFKCSA-N 1 0 352.478 2.996 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140340360 1035444505 /nfs/dbraw/zinc/44/45/05/1035444505.db2.gz UWDZKAPQUFKRCN-QGZVFWFLSA-N 1 0 372.918 2.826 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000835034725 1035490769 /nfs/dbraw/zinc/49/07/69/1035490769.db2.gz ARVYUMJQUHJZIF-FPLPWBNLSA-N 1 0 373.522 2.806 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835037490 1035491785 /nfs/dbraw/zinc/49/17/85/1035491785.db2.gz PZYREEXDAKLLDE-SNAWJCMRSA-N 1 0 373.522 2.642 20 10 FFCDRO O[C@@]1(CF)CCCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194234 1035494298 /nfs/dbraw/zinc/49/42/98/1035494298.db2.gz GGLHACMIWJKCAD-GOSISDBHSA-N 1 0 356.869 2.863 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000835074225 1035512561 /nfs/dbraw/zinc/51/25/61/1035512561.db2.gz QSHNTPZRFQTLHD-SJORKVTESA-N 1 0 372.469 2.828 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001277204831 1035530272 /nfs/dbraw/zinc/53/02/72/1035530272.db2.gz YMSBGSNNTQCPNX-HRAATJIYSA-N 1 0 358.482 2.944 20 10 FFCDRO COc1cc(O[C@@H](C)C[NH+](C)C)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001227391766 1035531760 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360.498 2.986 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC001140620166 1035746033 /nfs/dbraw/zinc/74/60/33/1035746033.db2.gz FEEGFFCFWIQKGV-NQIIRXRSSA-N 1 0 354.450 2.761 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)c1 ZINC001140623593 1035751351 /nfs/dbraw/zinc/75/13/51/1035751351.db2.gz XJFMVROTQMHTFO-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1O ZINC001140744614 1036033624 /nfs/dbraw/zinc/03/36/24/1036033624.db2.gz DKAPHRNPNBLPGF-HXUWFJFHSA-N 1 0 354.454 2.689 20 10 FFCDRO Cc1nc(CN2CCC3(C[NH+](Cc4ccc(O)c(C)c4O)C3)C2)cs1 ZINC001140749040 1036047074 /nfs/dbraw/zinc/04/70/74/1036047074.db2.gz WGQKGWLXIBMYDO-UHFFFAOYSA-N 1 0 359.495 2.879 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c1O ZINC001140748455 1036047185 /nfs/dbraw/zinc/04/71/85/1036047185.db2.gz KXWHTXYYHLELJA-IBGZPJMESA-N 1 0 352.434 2.860 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC001232840003 1036095535 /nfs/dbraw/zinc/09/55/35/1036095535.db2.gz ZTGDFCXZOSCKSW-UHFFFAOYSA-N 1 0 355.482 2.927 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232842027 1036097407 /nfs/dbraw/zinc/09/74/07/1036097407.db2.gz XLSYOZFPLWZAPM-IBGZPJMESA-N 1 0 367.465 2.897 20 10 FFCDRO CC[NH+](CC)CCN(C)Cc1ccc(I)cc1O ZINC001232974391 1036207319 /nfs/dbraw/zinc/20/73/19/1036207319.db2.gz MPTJLOALMYHJAC-UHFFFAOYSA-N 1 0 362.255 2.770 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(I)cc2O)CC[C@@H]1O ZINC001232974834 1036208501 /nfs/dbraw/zinc/20/85/01/1036208501.db2.gz SDCKWWYPXFXAAY-MFKMUULPSA-N 1 0 361.223 2.590 20 10 FFCDRO Cc1cc(Br)cc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1O ZINC001233111501 1036354418 /nfs/dbraw/zinc/35/44/18/1036354418.db2.gz QSHFBGWXOZRZCJ-MRXNPFEDSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cc(O)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1Br ZINC001233141975 1036391020 /nfs/dbraw/zinc/39/10/20/1036391020.db2.gz OWSZSZOCFSURBB-INIZCTEOSA-N 1 0 355.276 2.691 20 10 FFCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(Br)c(OC)cc3O)C[C@H]2C1 ZINC001233142399 1036391877 /nfs/dbraw/zinc/39/18/77/1036391877.db2.gz OVHQKYCDXQSHLM-CHWSQXEVSA-N 1 0 355.276 2.547 20 10 FFCDRO CC(C)C[C@H](C)OCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001536523818 1069997607 /nfs/dbraw/zinc/99/76/07/1069997607.db2.gz KVMUVWCKLVPYQK-SFHVURJKSA-N 1 0 361.530 2.896 20 10 FFCDRO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCOC[C@H](O)C1 ZINC001233193850 1036432577 /nfs/dbraw/zinc/43/25/77/1036432577.db2.gz GXTGFJRFLVOXLQ-CYBMUJFWSA-N 1 0 352.228 2.501 20 10 FFCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CCN(C(C)=O)CC1 ZINC001140923503 1036463277 /nfs/dbraw/zinc/46/32/77/1036463277.db2.gz CDFGSLWDWZBCHR-UHFFFAOYSA-N 1 0 367.921 2.865 20 10 FFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926910 1036466108 /nfs/dbraw/zinc/46/61/08/1036466108.db2.gz ZAVOMQYSOBWHES-UHFFFAOYSA-N 1 0 353.894 2.523 20 10 FFCDRO CCOC(=O)c1c(C[N@H+]2CCc3nccn3CC2)c2ccccc2n1C ZINC001233272831 1036480804 /nfs/dbraw/zinc/48/08/04/1036480804.db2.gz COUVJIMZQIDKSX-UHFFFAOYSA-N 1 0 352.438 2.610 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001233290873 1036494992 /nfs/dbraw/zinc/49/49/92/1036494992.db2.gz AOBOMALKRFIQFT-ZDUSSCGKSA-N 1 0 353.781 2.637 20 10 FFCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001233333125 1036539337 /nfs/dbraw/zinc/53/93/37/1036539337.db2.gz KQVLYNUWNIJGMM-YJYMSZOUSA-N 1 0 362.376 2.593 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c(O)c1 ZINC001140950412 1036548303 /nfs/dbraw/zinc/54/83/03/1036548303.db2.gz SGFQEHQMTKPRDB-TZIWHRDSSA-N 1 0 354.450 2.761 20 10 FFCDRO C[N@@H+]1CCC[C@@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229197866 1036548672 /nfs/dbraw/zinc/54/86/72/1036548672.db2.gz RGFFSBMIHCAOOC-GFCCVEGCSA-N 1 0 367.401 2.736 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001233455854 1036636277 /nfs/dbraw/zinc/63/62/77/1036636277.db2.gz BFDLSAYAQRGFFB-LSDHHAIUSA-N 1 0 362.367 2.656 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3nccc4ccccc43)CC2)cc1O ZINC001233486079 1036653983 /nfs/dbraw/zinc/65/39/83/1036653983.db2.gz XIXZGONNMIGDRW-UHFFFAOYSA-N 1 0 351.406 2.674 20 10 FFCDRO CN(C[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O)C(=O)OC(C)(C)C ZINC001233487317 1036654821 /nfs/dbraw/zinc/65/48/21/1036654821.db2.gz YUYKHLSRKZXVGP-CYBMUJFWSA-N 1 0 352.431 2.635 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233486224 1036655508 /nfs/dbraw/zinc/65/55/08/1036655508.db2.gz DEZCMYANVLMOCE-DPIQGUFMSA-N 1 0 364.442 2.539 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]12 ZINC001233487570 1036656452 /nfs/dbraw/zinc/65/64/52/1036656452.db2.gz JRJXTMUFJUCEQQ-MRVWCRGKSA-N 1 0 364.442 2.539 20 10 FFCDRO COC(=O)c1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1OC ZINC001233533860 1036672633 /nfs/dbraw/zinc/67/26/33/1036672633.db2.gz MXZUYQBADKGPSS-UHFFFAOYSA-N 1 0 357.406 2.841 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)c(OC)c1 ZINC001141027361 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FFCDRO COC[C@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231594110 1037714713 /nfs/dbraw/zinc/71/47/13/1037714713.db2.gz ZEXOQYJGTSQIGO-IBGZPJMESA-N 1 0 372.509 2.798 20 10 FFCDRO COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(C)c1O ZINC001231594045 1037715071 /nfs/dbraw/zinc/71/50/71/1037715071.db2.gz CFJAPTUPURLJLW-IBGZPJMESA-N 1 0 354.450 2.560 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1O ZINC001231593750 1037715831 /nfs/dbraw/zinc/71/58/31/1037715831.db2.gz UGFAHYBNSJPJMA-GOSISDBHSA-N 1 0 358.482 2.552 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(c3ncc(Br)cn3)CC2)c1O ZINC001231595042 1037716743 /nfs/dbraw/zinc/71/67/43/1037716743.db2.gz RDFXOSZPLODRPK-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO c1nn(-c2ccccc2)c2c1CN(Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001235791988 1037746663 /nfs/dbraw/zinc/74/66/63/1037746663.db2.gz SZMJWLKQZKVKSF-UHFFFAOYSA-N 1 0 373.504 2.840 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2cncc(Br)c2)c(O)cc1O ZINC001231633775 1037753209 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352.862 2.566 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccc3ccccc3c2O)C1 ZINC001231878470 1037970942 /nfs/dbraw/zinc/97/09/42/1037970942.db2.gz LCZQUXHEGCNMRV-INIZCTEOSA-N 1 0 350.466 2.936 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C)[C@@]2(C)CCC[NH2+]C2)c(O)c1 ZINC001236209425 1037985473 /nfs/dbraw/zinc/98/54/73/1037985473.db2.gz LVMXBQQODUYGSZ-FQEVSTJZSA-N 1 0 364.486 2.688 20 10 FFCDRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911954 1038006634 /nfs/dbraw/zinc/00/66/34/1038006634.db2.gz UICMZQSSZJQNOV-VQIMIIECSA-N 1 0 364.873 2.553 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c(OC)c1 ZINC001236412116 1038079804 /nfs/dbraw/zinc/07/98/04/1038079804.db2.gz REKUESUKQAOWFD-UHFFFAOYSA-N 1 0 367.493 2.672 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(Br)cc2O)CC12CC2 ZINC001236751912 1038237468 /nfs/dbraw/zinc/23/74/68/1038237468.db2.gz ZWDFDNSTFFNVIU-LLVKDONJSA-N 1 0 370.243 2.548 20 10 FFCDRO COc1cc(O)c(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1OC 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ANPLWNKKGLCSAW-GUYCJALGSA-N 1 0 358.463 2.866 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c(O)c1 ZINC001236814088 1038287681 /nfs/dbraw/zinc/28/76/81/1038287681.db2.gz OXLKDNNLGFPGMJ-UHFFFAOYSA-N 1 0 359.470 2.873 20 10 FFCDRO O=C(COC1CC[NH+](Cc2cc3ccccc3cc2O)CC1)NC1CC1 ZINC001236830619 1038294783 /nfs/dbraw/zinc/29/47/83/1038294783.db2.gz BZDWDYBMPAZFPD-UHFFFAOYSA-N 1 0 354.450 2.805 20 10 FFCDRO COCC[N@H+](C)Cc1cc2c(cc1O)OCCN(C(=O)OC(C)(C)C)C2 ZINC001236843551 1038305758 /nfs/dbraw/zinc/30/57/58/1038305758.db2.gz PALJJRFDLVPMSG-UHFFFAOYSA-N 1 0 366.458 2.600 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](c4ccccn4)C3)c(F)c2)CC1 ZINC001236940129 1038368247 /nfs/dbraw/zinc/36/82/47/1038368247.db2.gz YDWXKKWNTIUPQI-NRFANRHFSA-N 1 0 370.472 2.546 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](c4ccncc4)C3)c(F)c2)CC1 ZINC001236942552 1038369864 /nfs/dbraw/zinc/36/98/64/1038369864.db2.gz KSBGMOBVGWSJKA-OAQYLSRUSA-N 1 0 370.472 2.546 20 10 FFCDRO CCOC(=O)c1c(CN2CC[NH2+]C[C@H]2C(F)(F)F)c2ccccc2n1C ZINC001236983642 1038398610 /nfs/dbraw/zinc/39/86/10/1038398610.db2.gz VXJYCRJYHNOLMJ-HNNXBMFYSA-N 1 0 369.387 2.691 20 10 FFCDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278042915 1038410507 /nfs/dbraw/zinc/41/05/07/1038410507.db2.gz AOMMACAXPRUUSY-FQEVSTJZSA-N 1 0 362.470 2.664 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c(O)c1 ZINC001237039804 1038417171 /nfs/dbraw/zinc/41/71/71/1038417171.db2.gz BXMDPNYEITUTFD-RXVVDRJESA-N 1 0 370.449 2.998 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)c(O)c1 ZINC001237040627 1038418908 /nfs/dbraw/zinc/41/89/08/1038418908.db2.gz JINKXRJPNYIIHQ-OAQYLSRUSA-N 1 0 367.449 2.815 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](O)C2)c(O)c1 ZINC001237044169 1038419615 /nfs/dbraw/zinc/41/96/15/1038419615.db2.gz BCQMADNDDRAEDN-QGZVFWFLSA-N 1 0 364.486 2.929 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001237043069 1038419635 /nfs/dbraw/zinc/41/96/35/1038419635.db2.gz NGXNNDAINIBAOC-ROUUACIJSA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001237044233 1038419766 /nfs/dbraw/zinc/41/97/66/1038419766.db2.gz XGOSUXKGROQMSN-SIKLNZKXSA-N 1 0 366.461 2.897 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(O)c1 ZINC001237048927 1038424067 /nfs/dbraw/zinc/42/40/67/1038424067.db2.gz JWHWEVVGABMPAM-SJLPKXTDSA-N 1 0 364.486 2.976 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c(O)c1 ZINC001237048640 1038424271 /nfs/dbraw/zinc/42/42/71/1038424271.db2.gz LZZJWWRWQKUMFZ-NRFANRHFSA-N 1 0 368.481 2.878 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001237060745 1038428616 /nfs/dbraw/zinc/42/86/16/1038428616.db2.gz XZKYCCFUFJUXEA-LBPRGKRZSA-N 1 0 366.330 2.859 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCc2noc(C)n2)c(Br)c1 ZINC001237061480 1038428740 /nfs/dbraw/zinc/42/87/40/1038428740.db2.gz GFQLLZWIDHXDDZ-UHFFFAOYSA-N 1 0 356.220 2.529 20 10 FFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237067273 1038433948 /nfs/dbraw/zinc/43/39/48/1038433948.db2.gz HSZDWKYPLSPDRK-OAHLLOKOSA-N 1 0 358.232 2.548 20 10 FFCDRO COC(=O)[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001208630980 1038459817 /nfs/dbraw/zinc/45/98/17/1038459817.db2.gz MCBJKVSVEONQPH-UAPYVXQJSA-N 1 0 360.498 2.934 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001256452137 1038517796 /nfs/dbraw/zinc/51/77/96/1038517796.db2.gz KGWGHBSKRLKKSK-TZMCWYRMSA-N 1 0 366.458 2.724 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1CC2(C1)C[NH+](Cc1cc(C)ccc1O)C2 ZINC001278617006 1038844633 /nfs/dbraw/zinc/84/46/33/1038844633.db2.gz NCRAOAAMFQMGTK-UHFFFAOYSA-N 1 0 356.426 2.655 20 10 FFCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)c(OC)c1 ZINC001246946837 1039543834 /nfs/dbraw/zinc/54/38/34/1039543834.db2.gz HZGUIAUDJHTPCS-UZLBHIALSA-N 1 0 361.530 2.993 20 10 FFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)cc1F ZINC001259478975 1040044534 /nfs/dbraw/zinc/04/45/34/1040044534.db2.gz GFCYVDXIHWHHRF-UHFFFAOYSA-N 1 0 363.458 2.687 20 10 FFCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC001253844908 1040407632 /nfs/dbraw/zinc/40/76/32/1040407632.db2.gz GYQQQXNFQBINGM-OAHLLOKOSA-N 1 0 366.255 2.993 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(COc3cccnc3)CC2)c(O)c1 ZINC001249177595 1040618026 /nfs/dbraw/zinc/61/80/26/1040618026.db2.gz FLCKNTHWYAFRKX-UHFFFAOYSA-N 1 0 370.449 2.794 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)c(O)c1 ZINC001249201245 1040625760 /nfs/dbraw/zinc/62/57/60/1040625760.db2.gz LVYYRYXVNFHAJI-UHFFFAOYSA-N 1 0 356.422 2.546 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001249217483 1040631092 /nfs/dbraw/zinc/63/10/92/1040631092.db2.gz ORZQRAQNINHCFO-GOSISDBHSA-N 1 0 353.418 2.813 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)c(O)c1 ZINC001249217671 1040633225 /nfs/dbraw/zinc/63/32/25/1040633225.db2.gz QZCYUSFMJXZSQR-SFHVURJKSA-N 1 0 356.422 2.546 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001254566468 1040801859 /nfs/dbraw/zinc/80/18/59/1040801859.db2.gz KJDMTAYHWSQAFL-GOSISDBHSA-N 1 0 353.422 2.688 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c(O)c1 ZINC001249725940 1040963300 /nfs/dbraw/zinc/96/33/00/1040963300.db2.gz UTUAUZOUMYKJIE-HNNXBMFYSA-N 1 0 363.454 2.915 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CC[N@H+](CC)C[C@H]2C)c(O)c1 ZINC001249745291 1040974723 /nfs/dbraw/zinc/97/47/23/1040974723.db2.gz OORKEFOFASCXFL-MRXNPFEDSA-N 1 0 364.486 2.640 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC001261237086 1041091549 /nfs/dbraw/zinc/09/15/49/1041091549.db2.gz GVWFOSUMPIEHCS-HXUWFJFHSA-N 1 0 358.457 2.950 20 10 FFCDRO O=c1cccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2O)C3)[nH]1 ZINC001278551308 1041112022 /nfs/dbraw/zinc/11/20/22/1041112022.db2.gz GLVZLRGSEUGSDW-OAQYLSRUSA-N 1 0 353.466 2.981 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)cc1Br ZINC001250136466 1041126185 /nfs/dbraw/zinc/12/61/85/1041126185.db2.gz QOXIKSIXSXCQEO-CYBMUJFWSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1cc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)cc1Br ZINC001250136229 1041126695 /nfs/dbraw/zinc/12/66/95/1041126695.db2.gz OPTPMYRDCYLVKM-OAHLLOKOSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1O ZINC001278562240 1041179318 /nfs/dbraw/zinc/17/93/18/1041179318.db2.gz AYJGRUWHURPJDU-GASCZTMLSA-N 1 0 374.403 2.628 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC3(CN(Cc4cc(Cl)ccc4O)C3)C2)n(C)n1 ZINC001278568647 1041204088 /nfs/dbraw/zinc/20/40/88/1041204088.db2.gz CZKKDDIWLMLWJK-UHFFFAOYSA-N 1 0 360.889 2.795 20 10 FFCDRO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(Cl)ccc2O)[nH]1 ZINC001278569144 1041208394 /nfs/dbraw/zinc/20/83/94/1041208394.db2.gz PBHFVWCNDFCTRT-CALCHBBNSA-N 1 0 359.857 2.995 20 10 FFCDRO [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278605963 1041392521 /nfs/dbraw/zinc/39/25/21/1041392521.db2.gz OFDPYXSURDTUCL-UHFFFAOYSA-N 1 0 362.424 2.882 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262562536 1041723026 /nfs/dbraw/zinc/72/30/26/1041723026.db2.gz DGFYPVRMNYXODN-UYAOXDASSA-N 1 0 374.554 2.571 20 10 FFCDRO COCC[N@H+](C)CCCC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603414 1041748726 /nfs/dbraw/zinc/74/87/26/1041748726.db2.gz HZUBJSIEFTYLQX-UHFFFAOYSA-N 1 0 362.518 2.549 20 10 FFCDRO COCCOCN1CCC[C@]2(CCC[N@H+](Cc3cccc(C)c3O)C2)C1 ZINC001279291293 1042986309 /nfs/dbraw/zinc/98/63/09/1042986309.db2.gz ZCXLGTQXDRGYTH-NRFANRHFSA-N 1 0 362.514 2.999 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237230381 1043066587 /nfs/dbraw/zinc/06/65/87/1043066587.db2.gz SDDNPHDRZULBND-CQSZACIVSA-N 1 0 370.234 2.838 20 10 FFCDRO c1cncc(COc2ccc(N3CCN(C[C@H]4CCCC[NH2+]4)CC3)cc2)c1 ZINC001237258485 1043078562 /nfs/dbraw/zinc/07/85/62/1043078562.db2.gz NZHCSOBSYUOSTE-HXUWFJFHSA-N 1 0 366.509 2.925 20 10 FFCDRO Cc1cc(O)c(CN2CC3(C2)CC[N@H+](CCn2ccnc2)C3)cc1Cl ZINC001279433343 1043107656 /nfs/dbraw/zinc/10/76/56/1043107656.db2.gz RAVJVRMGCKYUDO-UHFFFAOYSA-N 1 0 360.889 2.758 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279490122 1043176569 /nfs/dbraw/zinc/17/65/69/1043176569.db2.gz OTGLIEBSBMXDTR-LJQANCHMSA-N 1 0 370.440 2.579 20 10 FFCDRO COc1cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237677372 1043305646 /nfs/dbraw/zinc/30/56/46/1043305646.db2.gz AXKUZHJGSCMINJ-MRXNPFEDSA-N 1 0 363.376 2.935 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1Br ZINC001237680132 1043307904 /nfs/dbraw/zinc/30/79/04/1043307904.db2.gz ZKONSJXSKCKCKC-UHFFFAOYSA-N 1 0 367.287 2.954 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c1O ZINC001237687581 1043315764 /nfs/dbraw/zinc/31/57/64/1043315764.db2.gz NEIBEZDGHFNQON-OAGGEKHMSA-N 1 0 352.862 2.610 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(Cl)c1 ZINC001279666227 1043430568 /nfs/dbraw/zinc/43/05/68/1043430568.db2.gz YAVCFZKEHLTQHL-HOTGVXAUSA-N 1 0 367.877 2.821 20 10 FFCDRO Oc1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC001279685631 1043467606 /nfs/dbraw/zinc/46/76/06/1043467606.db2.gz ZXPHTXGKULHTJJ-OKILXGFUSA-N 1 0 364.852 2.730 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001238061456 1043509658 /nfs/dbraw/zinc/50/96/58/1043509658.db2.gz NDVRVBXXFFWMFN-HXUWFJFHSA-N 1 0 355.413 2.864 20 10 FFCDRO O=C(NCC(F)F)C1=CC2(CC1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001279727315 1043540166 /nfs/dbraw/zinc/54/01/66/1043540166.db2.gz ITMIDMPHROWHMX-UHFFFAOYSA-N 1 0 366.408 2.782 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4C[C@@]43C(=O)N3CCCCO3)ccc21 ZINC001279882372 1043842662 /nfs/dbraw/zinc/84/26/62/1043842662.db2.gz SOCTVYOSYOENGQ-NQIIRXRSSA-N 1 0 355.482 2.587 20 10 FFCDRO Cn1ccnc1NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001279968474 1044001157 /nfs/dbraw/zinc/00/11/57/1044001157.db2.gz KTMMOJFWEHAVAA-OXQOHEQNSA-N 1 0 354.454 2.757 20 10 FFCDRO COc1cccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)c1O ZINC001279977444 1044021740 /nfs/dbraw/zinc/02/17/40/1044021740.db2.gz MHKDGCYSAJFCDN-AWEZNQCLSA-N 1 0 364.511 2.623 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)NCC(F)F)C2)c1O ZINC001279978213 1044023312 /nfs/dbraw/zinc/02/33/12/1044023312.db2.gz YVJKBYDNHVZEFT-KUHUBIRLSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)Nc4onc(C)c4C)(C2)C3)c(O)c1 ZINC001279980700 1044026825 /nfs/dbraw/zinc/02/68/25/1044026825.db2.gz ODZSQDONNCHKER-UHFFFAOYSA-N 1 0 357.410 2.657 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)c(O)c1 ZINC001280035249 1044112905 /nfs/dbraw/zinc/11/29/05/1044112905.db2.gz PMNXIURXSPNUFY-UHFFFAOYSA-N 1 0 367.440 2.632 20 10 FFCDRO Cc1ccc(C[NH2+]C23CC(C(=O)N(C)C4CC(F)(F)C4)(C2)C3)c(O)c1 ZINC001280046719 1044134375 /nfs/dbraw/zinc/13/43/75/1044134375.db2.gz NODATVAGCXFQBY-UHFFFAOYSA-N 1 0 350.409 2.969 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc3c(c2)OCCN3C)n1C ZINC001239603373 1044139806 /nfs/dbraw/zinc/13/98/06/1044139806.db2.gz WLBQPJQMCLUSRR-UHFFFAOYSA-N 1 0 366.421 2.949 20 10 FFCDRO CSC1(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001312594326 1044142035 /nfs/dbraw/zinc/14/20/35/1044142035.db2.gz HMEAGCDWVLGFIV-QGZVFWFLSA-N 1 0 364.559 2.940 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001312885106 1044186724 /nfs/dbraw/zinc/18/67/24/1044186724.db2.gz OPELIMLWTPQDIE-SMMRIJLZSA-N 1 0 358.530 2.631 20 10 FFCDRO NC(=O)[C@H]1OC2(CC[NH+](Cc3cc(F)ccc3O)CC2)c2ccccc21 ZINC001280292174 1044559362 /nfs/dbraw/zinc/55/93/62/1044559362.db2.gz IDGFYDNVAQVNIA-SFHVURJKSA-N 1 0 356.397 2.579 20 10 FFCDRO CN(C(=O)[C@@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2)C1CC(F)(F)C1 ZINC001280298785 1044565183 /nfs/dbraw/zinc/56/51/83/1044565183.db2.gz VIFYLJPZSCMBNZ-AWEZNQCLSA-N 1 0 354.372 2.609 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC001280346945 1044635551 /nfs/dbraw/zinc/63/55/51/1044635551.db2.gz ZCNIPIXLOIYMJJ-WOYCLPQFSA-N 1 0 358.482 2.609 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2C[C@@H](C)O[C@H](C)C2)c1O ZINC001280346940 1044635695 /nfs/dbraw/zinc/63/56/95/1044635695.db2.gz ZCNIPIXLOIYMJJ-LHUKNYEISA-N 1 0 358.482 2.609 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C3=CC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC001242693082 1044774657 /nfs/dbraw/zinc/77/46/57/1044774657.db2.gz ISUNLOVAJQKXDS-IBGZPJMESA-N 1 0 360.523 2.953 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCc4ccccc43)cc2F)CC1 ZINC001319640491 1045225319 /nfs/dbraw/zinc/22/53/19/1045225319.db2.gz QDCPDYGDALNLJM-QFIPXVFZSA-N 1 0 369.484 2.501 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001318516982 1045319802 /nfs/dbraw/zinc/31/98/02/1045319802.db2.gz OQFBXYCYDAGMDY-WOJBJXKFSA-N 1 0 374.529 2.790 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(C(F)(F)F)c1 ZINC001321031994 1045517709 /nfs/dbraw/zinc/51/77/09/1045517709.db2.gz APOJXENOFBLLHL-CQSZACIVSA-N 1 0 367.419 2.873 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@@H]1COCC12OCCO2 ZINC001326796490 1047091902 /nfs/dbraw/zinc/09/19/02/1047091902.db2.gz HOYQWPBFZIPBDK-IBGZPJMESA-N 1 0 360.498 2.792 20 10 FFCDRO CC(C)Oc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001288329841 1047449309 /nfs/dbraw/zinc/44/93/09/1047449309.db2.gz HAFLKCNOQFXNNC-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Br)CC1CCOCC1 ZINC001331693735 1048066149 /nfs/dbraw/zinc/06/61/49/1048066149.db2.gz WIQSZHQYSJBDMU-ZDUSSCGKSA-N 1 0 358.276 2.670 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC001331924493 1048174063 /nfs/dbraw/zinc/17/40/63/1048174063.db2.gz JLCOVAAZTYXCDW-RDJZCZTQSA-N 1 0 374.506 2.958 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2F)C[C@@H](C)O1 ZINC001328593877 1048372555 /nfs/dbraw/zinc/37/25/55/1048372555.db2.gz OXMOFWDVDXGDFQ-RKVPGOIHSA-N 1 0 363.477 2.588 20 10 FFCDRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1O ZINC001332440466 1048396894 /nfs/dbraw/zinc/39/68/94/1048396894.db2.gz NGSZEFCWPRJVKW-HNNXBMFYSA-N 1 0 367.449 2.804 20 10 FFCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1C(C)C ZINC001333064981 1048697205 /nfs/dbraw/zinc/69/72/05/1048697205.db2.gz AAKZQTHERVKGQI-UHFFFAOYSA-N 1 0 370.501 2.846 20 10 FFCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001329730317 1048876371 /nfs/dbraw/zinc/87/63/71/1048876371.db2.gz DREPTGHSQGEWSK-STQMWFEESA-N 1 0 355.429 2.987 20 10 FFCDRO O=S1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC001333666116 1049039012 /nfs/dbraw/zinc/03/90/12/1049039012.db2.gz AQINMKGEJCGQOS-UHFFFAOYSA-N 1 0 358.454 2.758 20 10 FFCDRO O=S1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC001333684040 1049054780 /nfs/dbraw/zinc/05/47/80/1049054780.db2.gz IPMAGWRCUSJRLU-BCMCSUEYSA-N 1 0 358.454 2.758 20 10 FFCDRO Cc1cc(C)c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001333781364 1049115482 /nfs/dbraw/zinc/11/54/82/1049115482.db2.gz WCBLQPVSDYGQKP-FQEVSTJZSA-N 1 0 369.513 2.867 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCC4)cc2)CC1 ZINC001333804882 1049126515 /nfs/dbraw/zinc/12/65/15/1049126515.db2.gz KULPWLYJJJXNIR-UHFFFAOYSA-N 1 0 370.518 2.700 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001292594165 1049366339 /nfs/dbraw/zinc/36/63/39/1049366339.db2.gz PRJZJSLBJVDGTC-VQIMIIECSA-N 1 0 359.514 2.901 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(C3CC3)nn2C)[NH+](C)C)cc1 ZINC001341838430 1050449872 /nfs/dbraw/zinc/44/98/72/1050449872.db2.gz UAYVQMDVILRQNE-GOSISDBHSA-N 1 0 370.501 2.788 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC001340952437 1051283949 /nfs/dbraw/zinc/28/39/49/1051283949.db2.gz MVOKYTBSPAUGEC-KRWDZBQOSA-N 1 0 355.486 2.794 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CN(C)c2ccccc2)[NH+](C)C)cc1 ZINC001304768042 1051689953 /nfs/dbraw/zinc/68/99/53/1051689953.db2.gz KLFUQPBXVTZNJP-FQEVSTJZSA-N 1 0 354.498 2.608 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)NCC3)[NH+](C)C)cc1 ZINC001343165615 1051790205 /nfs/dbraw/zinc/79/02/05/1051790205.db2.gz JEJWINIWDXWPHK-OAQYLSRUSA-N 1 0 366.509 2.682 20 10 FFCDRO CN(C)C(=O)C[C@@H]1CN(C(=O)C2=CCC[NH2+]CC2)c2ccc(Cl)cc21 ZINC001341470113 1051825852 /nfs/dbraw/zinc/82/58/52/1051825852.db2.gz OYBAZLNJOVZYHW-CQSZACIVSA-N 1 0 361.873 2.558 20 10 FFCDRO Fc1cc(C[NH2+]CCn2cnc3ccccc32)ccc1N1CCOCC1 ZINC001308228321 1052433583 /nfs/dbraw/zinc/43/35/83/1052433583.db2.gz LTVGBNOACBGDKW-UHFFFAOYSA-N 1 0 354.429 2.802 20 10 FFCDRO COc1cc(C[NH2+][C@H]2COCCC2(OC)OC)c(O)c(C(C)(C)C)c1 ZINC001308507185 1052462437 /nfs/dbraw/zinc/46/24/37/1052462437.db2.gz JHGVALOBTSGKDP-INIZCTEOSA-N 1 0 353.459 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]C2CCN(CC(F)F)CC2)N(C)C)cc1 ZINC001335584355 1053449433 /nfs/dbraw/zinc/44/94/33/1053449433.db2.gz WOSPUYRLZAKXIJ-SFHVURJKSA-N 1 0 354.489 2.674 20 10 FFCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001335933432 1053651667 /nfs/dbraw/zinc/65/16/67/1053651667.db2.gz HULKOHZIIKPSCI-JKSUJKDBSA-N 1 0 370.419 2.708 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001336000294 1053698391 /nfs/dbraw/zinc/69/83/91/1053698391.db2.gz AXNMIQHOWHKVLC-DNVCBOLYSA-N 1 0 357.410 2.505 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)cc1 ZINC001543359159 1071457775 /nfs/dbraw/zinc/45/77/75/1071457775.db2.gz WEIKYXXMFSZERS-HXUWFJFHSA-N 1 0 359.514 2.854 20 10 FFCDRO CCc1cccc(C[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1O ZINC000848896629 1055323873 /nfs/dbraw/zinc/32/38/73/1055323873.db2.gz FHCDDODUNBELSC-QGZVFWFLSA-N 1 0 354.498 2.650 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847323312 1055496829 /nfs/dbraw/zinc/49/68/29/1055496829.db2.gz DUTBNFREOUHGQS-VQTJNVASSA-N 1 0 354.498 2.879 20 10 FFCDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC001350617277 1055865822 /nfs/dbraw/zinc/86/58/22/1055865822.db2.gz SQMNKZCJOHWCAQ-GFCCVEGCSA-N 1 0 355.276 2.893 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cc3n(n2)CCC[C@H]3[NH3+])cc1 ZINC001357336995 1055868578 /nfs/dbraw/zinc/86/85/78/1055868578.db2.gz GHDPGZLNLHSZIQ-QGZVFWFLSA-N 1 0 355.486 2.795 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1F ZINC001351508879 1056299230 /nfs/dbraw/zinc/29/92/30/1056299230.db2.gz VVPKGMRFUIKVQM-DNVCBOLYSA-N 1 0 350.409 2.605 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000848552450 1060264047 /nfs/dbraw/zinc/26/40/47/1060264047.db2.gz BMDHXBSDAODKEA-XMSQKQJNSA-N 1 0 373.541 2.755 20 10 FFCDRO COc1ccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461001814 1061182613 /nfs/dbraw/zinc/18/26/13/1061182613.db2.gz OBRCACBBYVEEBG-UHFFFAOYSA-N 1 0 357.473 2.918 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1 ZINC001461696892 1061382450 /nfs/dbraw/zinc/38/24/50/1061382450.db2.gz KVJUQPYDVCAAAP-HXUWFJFHSA-N 1 0 361.486 2.624 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCN2Cc3ccccc3OCC2=O)c(Cl)c1 ZINC001461749682 1061396924 /nfs/dbraw/zinc/39/69/24/1061396924.db2.gz DOCKBPFALTYOFV-UHFFFAOYSA-N 1 0 360.841 2.865 20 10 FFCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC001476434132 1061412227 /nfs/dbraw/zinc/41/22/27/1061412227.db2.gz DQFWZRHUIUJTRK-HNNXBMFYSA-N 1 0 358.408 2.579 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H](C2CC2)C(F)(F)F)[NH+](C)C)cc1 ZINC001476709930 1061463917 /nfs/dbraw/zinc/46/39/17/1061463917.db2.gz KGLHCVWMEKMYQO-HZPDHXFCSA-N 1 0 372.435 2.995 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2cccs2)[NH+](C)C)cc1 ZINC001477479762 1061715640 /nfs/dbraw/zinc/71/56/40/1061715640.db2.gz KJOWSNOVKGDRSD-GOSISDBHSA-N 1 0 360.527 2.959 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001438889019 1063066397 /nfs/dbraw/zinc/06/63/97/1063066397.db2.gz XRYAIAHHHHLMQC-UHFFFAOYSA-N 1 0 371.868 2.591 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4c(o3)CCCC4)cc2)CC1 ZINC001438901333 1063067832 /nfs/dbraw/zinc/06/78/32/1063067832.db2.gz LCLWLARCJRPWFN-UHFFFAOYSA-N 1 0 353.466 2.840 20 10 FFCDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC001466215942 1063365777 /nfs/dbraw/zinc/36/57/77/1063365777.db2.gz PNVZSHOSZBGERQ-CABCVRRESA-N 1 0 360.424 2.995 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC001466210814 1063367297 /nfs/dbraw/zinc/36/72/97/1063367297.db2.gz QADYJYDUYXNZDB-UHFFFAOYSA-N 1 0 359.514 2.998 20 10 FFCDRO C[C@H]1CCSCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471543426 1064711311 /nfs/dbraw/zinc/71/13/11/1064711311.db2.gz IHDWQKOTIPRADH-MAUKXSAKSA-N 1 0 364.559 2.892 20 10 FFCDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC001575927474 1078178587 /nfs/dbraw/zinc/17/85/87/1078178587.db2.gz YTJYCRVZIKFMLT-DNVCBOLYSA-N 1 0 353.466 2.778 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2=O)cc1 ZINC001474002089 1065438009 /nfs/dbraw/zinc/43/80/09/1065438009.db2.gz DFZXFRJDNCLJIN-IBGZPJMESA-N 1 0 371.456 2.791 20 10 FFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001474333502 1065495737 /nfs/dbraw/zinc/49/57/37/1065495737.db2.gz NCGGEJSMUAMDJY-GASCZTMLSA-N 1 0 353.457 2.661 20 10 FFCDRO CCOc1ccc(C[C@H](C[NH2+]Cc2cc(OC)ccc2O)C(=O)OC)cc1 ZINC001474397134 1065512258 /nfs/dbraw/zinc/51/22/58/1065512258.db2.gz ONMIYPMXQQQNPN-QGZVFWFLSA-N 1 0 373.449 2.921 20 10 FFCDRO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3ccc(Cl)cc3O)C2)CCC1 ZINC001474723505 1065588917 /nfs/dbraw/zinc/58/89/17/1065588917.db2.gz DFDDUXMRCXIGDS-GOSISDBHSA-N 1 0 353.846 2.716 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001474761755 1065599630 /nfs/dbraw/zinc/59/96/30/1065599630.db2.gz JIBMZXNJQWEKSS-FQEVSTJZSA-N 1 0 362.470 2.912 20 10 FFCDRO CCc1nnc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1CCCSc1nccs1 ZINC001578308868 1078461810 /nfs/dbraw/zinc/46/18/10/1078461810.db2.gz SDYGFDUBNLEVBN-QWHCGFSZSA-N 1 0 366.560 2.653 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC001578424636 1078473216 /nfs/dbraw/zinc/47/32/16/1078473216.db2.gz PUZVVKDNMDPSCE-TZIWHRDSSA-N 1 0 353.466 2.575 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CC[C@@H]4CCCC[C@@H]34)C2)cc1 ZINC001579224377 1078593367 /nfs/dbraw/zinc/59/33/67/1078593367.db2.gz GXRXSQSMGXRHDP-XAMWDVODSA-N 1 0 357.498 2.558 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001579617186 1078650793 /nfs/dbraw/zinc/65/07/93/1078650793.db2.gz MVANKZXMPIBIBA-DYESRHJHSA-N 1 0 358.530 2.777 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1[NH2+]CC[C@H]1C ZINC001579903260 1078710700 /nfs/dbraw/zinc/71/07/00/1078710700.db2.gz PRYRSHCVOSLLSX-UZLBHIALSA-N 1 0 368.529 2.821 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)C3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC001557449404 1075850573 /nfs/dbraw/zinc/85/05/73/1075850573.db2.gz FNHNWJYGUJTBQI-SFHVURJKSA-N 1 0 359.514 2.758 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001558428414 1076003972 /nfs/dbraw/zinc/00/39/72/1076003972.db2.gz ZKSSWSAZSDFZJC-UZLBHIALSA-N 1 0 353.466 2.658 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(NC(N)=O)cc2)cc1Cn1cccn1 ZINC001560258947 1076257348 /nfs/dbraw/zinc/25/73/48/1076257348.db2.gz OWIPWBUTYVUKDR-UHFFFAOYSA-N 1 0 365.437 2.720 20 10 FFCDRO CS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC001560832617 1076303498 /nfs/dbraw/zinc/30/34/98/1076303498.db2.gz IOTBPNFYCWODMD-UHFFFAOYSA-N 1 0 370.268 2.848 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC=C(Cl)Cl)cc2)CC1 ZINC001563288142 1076538732 /nfs/dbraw/zinc/53/87/32/1076538732.db2.gz IEOLATKDLJZVDG-UHFFFAOYSA-N 1 0 357.285 2.557 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001563791537 1076583594 /nfs/dbraw/zinc/58/35/94/1076583594.db2.gz BQUFIUVONVPFKX-GOSISDBHSA-N 1 0 358.530 2.942 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCCS2)[NH+](C)C)cc1 ZINC001564338117 1076626219 /nfs/dbraw/zinc/62/62/19/1076626219.db2.gz QRXGNOLEKDGLOU-IEBWSBKVSA-N 1 0 364.559 2.940 20 10 FFCDRO CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001565271210 1076707337 /nfs/dbraw/zinc/70/73/37/1076707337.db2.gz OZPZIOBJOOTBBB-IBGZPJMESA-N 1 0 356.514 2.936 20 10 FFCDRO C[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC2(CCC2)O1 ZINC001565452566 1076731352 /nfs/dbraw/zinc/73/13/52/1076731352.db2.gz GJLHOBBCVUKDER-LPHOPBHVSA-N 1 0 374.529 2.708 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001567222581 1077006664 /nfs/dbraw/zinc/00/66/64/1077006664.db2.gz QJJPYZHSRYBKDM-BSIFCXSSSA-N 1 0 360.498 2.947 20 10 FFCDRO Cc1ccn2cnc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2c1 ZINC001586060704 1079538499 /nfs/dbraw/zinc/53/84/99/1079538499.db2.gz KPQVZCMNKCZFNK-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000038047246 211366483 /nfs/dbraw/zinc/36/64/83/211366483.db2.gz IZBQPNMMWBBJDP-GFCCVEGCSA-N 1 0 350.278 2.630 20 10 FFCDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000328636826 132306428 /nfs/dbraw/zinc/30/64/28/132306428.db2.gz OGSFSAMJYDYRMA-LEWJYISDSA-N 1 0 370.497 2.750 20 10 FFCDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000008190653 506630613 /nfs/dbraw/zinc/63/06/13/506630613.db2.gz UBDFCGRQZICTEJ-UHFFFAOYSA-N 1 0 354.406 2.972 20 10 FFCDRO CN(C)C(=O)CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000069025529 507382048 /nfs/dbraw/zinc/38/20/48/507382048.db2.gz CRJRYRUYZVIFPA-UHFFFAOYSA-N 1 0 367.493 2.701 20 10 FFCDRO CN(C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1)S(C)(=O)=O ZINC000092529926 508079513 /nfs/dbraw/zinc/07/95/13/508079513.db2.gz FFRNWBIXRCGAQH-UHFFFAOYSA-N 1 0 374.506 2.915 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661775 508091826 /nfs/dbraw/zinc/09/18/26/508091826.db2.gz ATECNSGYOMDBFW-NRFANRHFSA-N 1 0 360.498 2.683 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCCC34CC[NH+](C)CC4)ccc21 ZINC000371413624 512386306 /nfs/dbraw/zinc/38/63/06/512386306.db2.gz WHLNPMODSNOBFJ-UHFFFAOYSA-N 1 0 356.514 2.839 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000105432749 508373362 /nfs/dbraw/zinc/37/33/62/508373362.db2.gz QKYWASHRUPAFJN-UHFFFAOYSA-N 1 0 374.506 2.739 20 10 FFCDRO CNC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000122033870 508470862 /nfs/dbraw/zinc/47/08/62/508470862.db2.gz RZFAXAQYCFTGFP-UHFFFAOYSA-N 1 0 357.429 2.516 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000154108973 508718966 /nfs/dbraw/zinc/71/89/66/508718966.db2.gz GJHCZMBBDGRCDL-KRWDZBQOSA-N 1 0 374.506 2.648 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000155666293 509048751 /nfs/dbraw/zinc/04/87/51/509048751.db2.gz SNKJPOQNEORIGF-HXUWFJFHSA-N 1 0 354.498 2.833 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c(O)c1 ZINC000185685906 509303619 /nfs/dbraw/zinc/30/36/19/509303619.db2.gz ZEOQVTFHNIZZGQ-LLVKDONJSA-N 1 0 366.405 2.665 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267226698 509401531 /nfs/dbraw/zinc/40/15/31/509401531.db2.gz KBJZGEMOAOLMRK-LJQANCHMSA-N 1 0 371.525 2.794 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000186025740 509487069 /nfs/dbraw/zinc/48/70/69/509487069.db2.gz HHWCOTCYRDKOGK-GFCCVEGCSA-N 1 0 362.442 2.616 20 10 FFCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000186089489 509516740 /nfs/dbraw/zinc/51/67/40/509516740.db2.gz JFHJFTHSMBJSKI-SNVBAGLBSA-N 1 0 362.289 2.630 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cc1 ZINC000183528442 509843581 /nfs/dbraw/zinc/84/35/81/509843581.db2.gz HGYWAAKSRAKLGD-UHFFFAOYSA-N 1 0 354.454 2.509 20 10 FFCDRO COc1cc(N2CC[NH+](CCCOC(C)C)CC2)cc(OC)c1OC ZINC000183706666 509937209 /nfs/dbraw/zinc/93/72/09/509937209.db2.gz OEFCWCIBSCANFI-UHFFFAOYSA-N 1 0 352.475 2.650 20 10 FFCDRO C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000181336938 510362852 /nfs/dbraw/zinc/36/28/52/510362852.db2.gz FXAMUZQYAZUKAR-UHFFFAOYSA-N 1 0 361.873 2.627 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178023989 510382500 /nfs/dbraw/zinc/38/25/00/510382500.db2.gz DBDXSNWDKSBOFY-MRXNPFEDSA-N 1 0 371.456 2.743 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217927 510552016 /nfs/dbraw/zinc/55/20/16/510552016.db2.gz XRLHOVYJBBDOOK-MNOVXSKESA-N 1 0 370.421 2.990 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000185140517 510707797 /nfs/dbraw/zinc/70/77/97/510707797.db2.gz BNDORGOYOADINF-GUYCJALGSA-N 1 0 356.919 2.904 20 10 FFCDRO C[NH+]1CCC([C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)CC1 ZINC000270274029 510744400 /nfs/dbraw/zinc/74/44/00/510744400.db2.gz UIDFJNJNRKANHE-FQEVSTJZSA-N 1 0 368.525 2.936 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191638189 510765229 /nfs/dbraw/zinc/76/52/29/510765229.db2.gz JLBBXVPWRCNDSH-UHFFFAOYSA-N 1 0 352.482 2.643 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)c(O)c1 ZINC000185339858 510814041 /nfs/dbraw/zinc/81/40/41/510814041.db2.gz YCORAQNGXGJJEH-HNNXBMFYSA-N 1 0 368.481 2.648 20 10 FFCDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)ccc1O ZINC000185344164 510815093 /nfs/dbraw/zinc/81/50/93/510815093.db2.gz TWZLEDKRMWGNAP-BEFAXECRSA-N 1 0 372.440 2.652 20 10 FFCDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000275463045 510901315 /nfs/dbraw/zinc/90/13/15/510901315.db2.gz HHEOHFDCZHPVNG-ZFWWWQNUSA-N 1 0 366.259 2.991 20 10 FFCDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000275702629 510911032 /nfs/dbraw/zinc/91/10/32/510911032.db2.gz XRXPWUBAVIAWKJ-GOEBONIOSA-N 1 0 366.259 2.898 20 10 FFCDRO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000276437682 510938776 /nfs/dbraw/zinc/93/87/76/510938776.db2.gz IKECNWQTFKHVDO-SFHVURJKSA-N 1 0 369.527 2.978 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271105461 511084723 /nfs/dbraw/zinc/08/47/23/511084723.db2.gz RNCFNDHECQSMAO-CYBMUJFWSA-N 1 0 352.431 2.508 20 10 FFCDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000289893095 511120719 /nfs/dbraw/zinc/12/07/19/511120719.db2.gz SSPYCPIIDXVTCH-HNNXBMFYSA-N 1 0 361.465 2.641 20 10 FFCDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)NC(=O)NC1=O ZINC000289960275 511121836 /nfs/dbraw/zinc/12/18/36/511121836.db2.gz ZBKWTKGZIBPPDR-RXVVDRJESA-N 1 0 370.497 2.630 20 10 FFCDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)NC(=O)NC1=O ZINC000289960267 511122132 /nfs/dbraw/zinc/12/21/32/511122132.db2.gz ZBKWTKGZIBPPDR-NQIIRXRSSA-N 1 0 370.497 2.630 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)Cc2ccc(OC)c(OC)c2)c1 ZINC000290940548 511154167 /nfs/dbraw/zinc/15/41/67/511154167.db2.gz PXDVRVAUXDFTCV-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OCC(=O)N(C)C ZINC000272889423 511511135 /nfs/dbraw/zinc/51/11/35/511511135.db2.gz SIAOSDWNTXTYLA-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO COCC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000273317393 511521785 /nfs/dbraw/zinc/52/17/85/511521785.db2.gz VTGWNZXATXPJNV-SFHVURJKSA-N 1 0 359.470 2.671 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000273414982 511524804 /nfs/dbraw/zinc/52/48/04/511524804.db2.gz QSGZFXNCHDDVKP-CQSZACIVSA-N 1 0 355.438 2.751 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)ccc1OCC(N)=O ZINC000273581588 511541199 /nfs/dbraw/zinc/54/11/99/511541199.db2.gz MVZMEQGYOOTIMX-CQSZACIVSA-N 1 0 358.438 2.733 20 10 FFCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccc(OCCN3CCOCC3)c1)CC2 ZINC000296075530 511611680 /nfs/dbraw/zinc/61/16/80/511611680.db2.gz SILZDEOEDJOSFC-HXUWFJFHSA-N 1 0 368.477 2.880 20 10 FFCDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccccc3O)cc2)CC1 ZINC000284126522 511615040 /nfs/dbraw/zinc/61/50/40/511615040.db2.gz HQGISMHHRWTVRE-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ccc4nccnc4n3)cc2F)CC1 ZINC000301215275 511689298 /nfs/dbraw/zinc/68/92/98/511689298.db2.gz ZPGXXCOQCSGGSD-UHFFFAOYSA-N 1 0 366.444 2.918 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC(c4c[nH]cn4)CC3)ccc21 ZINC000365918403 511727125 /nfs/dbraw/zinc/72/71/25/511727125.db2.gz ICKBHQSUEXHQLG-UHFFFAOYSA-N 1 0 353.470 2.881 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1O ZINC000281190224 511753211 /nfs/dbraw/zinc/75/32/11/511753211.db2.gz IGWIHHAYQMUMDN-UHFFFAOYSA-N 1 0 360.376 2.681 20 10 FFCDRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000284545257 511765532 /nfs/dbraw/zinc/76/55/32/511765532.db2.gz BCXPWTVDSQCCTL-SFHVURJKSA-N 1 0 351.406 2.861 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000363961987 511876184 /nfs/dbraw/zinc/87/61/84/511876184.db2.gz KMIOVEWSXWCTKK-PKOBYXMFSA-N 1 0 372.513 2.544 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284910009 511924083 /nfs/dbraw/zinc/92/40/83/511924083.db2.gz XGXRMYZQPJAKRB-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c(O)c1 ZINC000284948573 511941698 /nfs/dbraw/zinc/94/16/98/511941698.db2.gz DXUWNNWZSXGYBD-HXUWFJFHSA-N 1 0 374.485 2.837 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)NCc3ccccc3O)c2)CC1 ZINC000274850280 511963729 /nfs/dbraw/zinc/96/37/29/511963729.db2.gz WRXVGFIGEQIQHJ-UHFFFAOYSA-N 1 0 354.454 2.856 20 10 FFCDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)C1 ZINC000297128309 512030015 /nfs/dbraw/zinc/03/00/15/512030015.db2.gz GUAJTTGVRWAOPQ-OAQYLSRUSA-N 1 0 354.498 2.690 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375694325 512459835 /nfs/dbraw/zinc/45/98/35/512459835.db2.gz UXZFDXRFKYYLFU-OAHLLOKOSA-N 1 0 366.259 2.823 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)cc1 ZINC000371581354 512477287 /nfs/dbraw/zinc/47/72/87/512477287.db2.gz QVNSFKCSFPKTSB-QGZVFWFLSA-N 1 0 372.513 2.567 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000378407546 512744110 /nfs/dbraw/zinc/74/41/10/512744110.db2.gz XSRJHQBGHXTAGJ-CYBMUJFWSA-N 1 0 372.259 2.939 20 10 FFCDRO C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000368580112 513008972 /nfs/dbraw/zinc/00/89/72/513008972.db2.gz KVVXFCIRLKGTSM-UHFFFAOYSA-N 1 0 354.498 2.833 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](CF)C2)C1 ZINC000412552101 513158632 /nfs/dbraw/zinc/15/86/32/513158632.db2.gz MKDDCMUDGXXTRV-INIZCTEOSA-N 1 0 373.472 2.605 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCOC2)C1 ZINC000435874965 513705336 /nfs/dbraw/zinc/70/53/36/513705336.db2.gz PMIVRKQAELNPPK-INIZCTEOSA-N 1 0 355.482 2.655 20 10 FFCDRO Cc1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000414623802 514210962 /nfs/dbraw/zinc/21/09/62/514210962.db2.gz FENDEPDGCILSSH-UHFFFAOYSA-N 1 0 354.435 2.599 20 10 FFCDRO CS(=O)(=O)c1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)co1 ZINC000528420601 516424656 /nfs/dbraw/zinc/42/46/56/516424656.db2.gz WSFFMXGVUBBMOW-MRXNPFEDSA-N 1 0 365.451 2.570 20 10 FFCDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000563121385 517673123 /nfs/dbraw/zinc/67/31/23/517673123.db2.gz VOIDSTGXHBPBJV-AWEZNQCLSA-N 1 0 356.451 2.999 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccon2)C1 ZINC000568171061 518905749 /nfs/dbraw/zinc/90/57/49/518905749.db2.gz QRKGDIMYUJQIFP-UHFFFAOYSA-N 1 0 366.465 2.755 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821110150 606904802 /nfs/dbraw/zinc/90/48/02/606904802.db2.gz XDULLJFELIZBPJ-GOSISDBHSA-N 1 0 353.426 2.518 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000824616907 607908314 /nfs/dbraw/zinc/90/83/14/607908314.db2.gz AWEVEPPSLAFOTN-HNNXBMFYSA-N 1 0 364.453 2.554 20 10 FFCDRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000153185872 728773840 /nfs/dbraw/zinc/77/38/40/728773840.db2.gz JTJUZNCESPJRRM-IBGZPJMESA-N 1 0 363.889 2.790 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000898175986 735322667 /nfs/dbraw/zinc/32/26/67/735322667.db2.gz ZTSQAPCVDWMLFO-CJNGLKHVSA-N 1 0 361.515 2.872 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000073915834 728228081 /nfs/dbraw/zinc/22/80/81/728228081.db2.gz BQVNLGGDYVOGBM-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000090799102 728452186 /nfs/dbraw/zinc/45/21/86/728452186.db2.gz KUWGOJLVQCGWQU-QFBILLFUSA-N 1 0 365.543 2.752 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000090796874 728452231 /nfs/dbraw/zinc/45/22/31/728452231.db2.gz LCWUWTRSCKUEAT-IRXDYDNUSA-N 1 0 365.543 2.609 20 10 FFCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000109075891 728524195 /nfs/dbraw/zinc/52/41/95/728524195.db2.gz QWYXIITUANAGQQ-AWEZNQCLSA-N 1 0 352.450 2.872 20 10 FFCDRO CCN(CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)S(C)(=O)=O ZINC000128267021 728708397 /nfs/dbraw/zinc/70/83/97/728708397.db2.gz CNDVSUGBPMTCCW-KRWDZBQOSA-N 1 0 367.559 2.999 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000133661655 728727543 /nfs/dbraw/zinc/72/75/43/728727543.db2.gz BQENDNCHQFTMSM-INIZCTEOSA-N 1 0 350.482 2.669 20 10 FFCDRO C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000165422440 728973062 /nfs/dbraw/zinc/97/30/62/728973062.db2.gz BENZSLKRTLRRAG-AEFFLSMTSA-N 1 0 361.555 2.882 20 10 FFCDRO [NH3+]C1(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC000166294295 728975934 /nfs/dbraw/zinc/97/59/34/728975934.db2.gz PUGBNYDWBZELDW-UHFFFAOYSA-N 1 0 353.413 2.645 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000177348447 729134363 /nfs/dbraw/zinc/13/43/63/729134363.db2.gz MNPSEHLAJVWHOE-MRXNPFEDSA-N 1 0 352.862 2.545 20 10 FFCDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000180355004 729212032 /nfs/dbraw/zinc/21/20/32/729212032.db2.gz MFEYZPCFXMFEHR-UHFFFAOYSA-N 1 0 370.858 2.586 20 10 FFCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000180470198 729215011 /nfs/dbraw/zinc/21/50/11/729215011.db2.gz AWCNTXRABSMUOM-INIZCTEOSA-N 1 0 353.532 2.655 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000182404614 729276926 /nfs/dbraw/zinc/27/69/26/729276926.db2.gz ZUZHRLLRCGVKEO-LLVKDONJSA-N 1 0 364.471 2.740 20 10 FFCDRO C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[N@@H+]1CC(C)(C)O ZINC000188965370 729394436 /nfs/dbraw/zinc/39/44/36/729394436.db2.gz ZKXRCTVJZSJLII-AWEZNQCLSA-N 1 0 350.503 2.672 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1F ZINC000858099653 730416438 /nfs/dbraw/zinc/41/64/38/730416438.db2.gz TUVVCXKOIBDQOM-UHFFFAOYSA-N 1 0 369.437 2.692 20 10 FFCDRO Cn1cc(N2CCC[C@H]([NH2+]Cc3c(O)cccc3Br)C2)cn1 ZINC000858146497 730417824 /nfs/dbraw/zinc/41/78/24/730417824.db2.gz ZLPNWSIJKSFANW-LBPRGKRZSA-N 1 0 365.275 2.647 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)[C@H]2C1 ZINC000858165449 730418462 /nfs/dbraw/zinc/41/84/62/730418462.db2.gz UGLHYDHAJGYMLW-DHSIGJKJSA-N 1 0 351.441 2.767 20 10 FFCDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858175108 730418685 /nfs/dbraw/zinc/41/86/85/730418685.db2.gz HMMMOYVMQYRLKA-NHYWBVRUSA-N 1 0 366.259 2.898 20 10 FFCDRO CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000858465894 730426501 /nfs/dbraw/zinc/42/65/01/730426501.db2.gz PHRXTOONYUKNFY-LPHOPBHVSA-N 1 0 368.905 2.702 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1O ZINC000858565492 730428939 /nfs/dbraw/zinc/42/89/39/730428939.db2.gz QSAQYUWUJCJKLH-WMLDXEAASA-N 1 0 361.873 2.992 20 10 FFCDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862419044 730699705 /nfs/dbraw/zinc/69/97/05/730699705.db2.gz VBDZGTCZYKGNPI-GFCCVEGCSA-N 1 0 355.276 2.891 20 10 FFCDRO CNS(=O)(=O)CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000866458030 731062729 /nfs/dbraw/zinc/06/27/29/731062729.db2.gz XKDSANYEIDIZLN-GOSISDBHSA-N 1 0 362.495 2.595 20 10 FFCDRO CN(C)[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000922752465 738195828 /nfs/dbraw/zinc/19/58/28/738195828.db2.gz QZQPEGIIFJXXMK-INIZCTEOSA-N 1 0 363.399 2.635 20 10 FFCDRO C[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Br)ccc1O ZINC000925789811 738529859 /nfs/dbraw/zinc/52/98/59/738529859.db2.gz BMTISCDWCSUCCD-OCCSQVGLSA-N 1 0 369.303 2.964 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000873047772 731867765 /nfs/dbraw/zinc/86/77/65/731867765.db2.gz BVZWDXMLUDTTLC-SFHVURJKSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877745081 732422376 /nfs/dbraw/zinc/42/23/76/732422376.db2.gz ZVQFMBDERRYTFF-RISCZKNCSA-N 1 0 355.276 2.689 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000879650368 732742767 /nfs/dbraw/zinc/74/27/67/732742767.db2.gz XEOKOSVTKQHGOP-LIRRHRJNSA-N 1 0 350.459 2.805 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000781895459 738668899 /nfs/dbraw/zinc/66/88/99/738668899.db2.gz SSOHJAKEEPVUEW-HNNXBMFYSA-N 1 0 369.303 2.760 20 10 FFCDRO CCO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000926965372 738675282 /nfs/dbraw/zinc/67/52/82/738675282.db2.gz QJWSIONIOVMTSX-DOTOQJQBSA-N 1 0 369.937 2.794 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000881853594 733120664 /nfs/dbraw/zinc/12/06/64/733120664.db2.gz BUTRRXJDXDCPJZ-INIZCTEOSA-N 1 0 351.441 2.880 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000883297801 733362774 /nfs/dbraw/zinc/36/27/74/733362774.db2.gz ZJVKAEOWHXFZQO-CQSZACIVSA-N 1 0 364.433 2.828 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000883374955 733376391 /nfs/dbraw/zinc/37/63/91/733376391.db2.gz XSVCXIHRELAVKJ-DLOVCJGASA-N 1 0 362.289 2.689 20 10 FFCDRO CN(CCOCC[NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000705901958 734361118 /nfs/dbraw/zinc/36/11/18/734361118.db2.gz APEZLGWXBDGUGG-UHFFFAOYSA-N 1 0 350.459 2.595 20 10 FFCDRO CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000714243488 734368824 /nfs/dbraw/zinc/36/88/24/734368824.db2.gz LXDVKERSZIOBMN-GVXVVHGQSA-N 1 0 362.289 2.771 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000725841475 734395789 /nfs/dbraw/zinc/39/57/89/734395789.db2.gz JVLXVYUJSQWAAC-MRXNPFEDSA-N 1 0 361.511 2.541 20 10 FFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726237579 734415023 /nfs/dbraw/zinc/41/50/23/734415023.db2.gz JTAXGAGZOOWWFB-CABCVRRESA-N 1 0 350.482 2.811 20 10 FFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726237592 734415276 /nfs/dbraw/zinc/41/52/76/734415276.db2.gz JTAXGAGZOOWWFB-HUUCEWRRSA-N 1 0 350.482 2.811 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000891391851 734423783 /nfs/dbraw/zinc/42/37/83/734423783.db2.gz RICGYZLRJFFMHM-OAHLLOKOSA-N 1 0 354.445 2.577 20 10 FFCDRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892621202 734581525 /nfs/dbraw/zinc/58/15/25/734581525.db2.gz HUQAISZHNFLLFI-CZUORRHYSA-N 1 0 357.267 2.925 20 10 FFCDRO COc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c(O)c1OC ZINC000893208324 734668602 /nfs/dbraw/zinc/66/86/02/734668602.db2.gz GICOVJFWICDFGL-UHFFFAOYSA-N 1 0 350.459 2.584 20 10 FFCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893442642 734702764 /nfs/dbraw/zinc/70/27/64/734702764.db2.gz YUNBFUDLVWWYAX-AWEZNQCLSA-N 1 0 351.443 2.821 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)OC(C)(C)C)c(O)c1OC ZINC000894121665 734804910 /nfs/dbraw/zinc/80/49/10/734804910.db2.gz WIQKBMFFWNYSTJ-VOTSOKGWSA-N 1 0 352.431 2.580 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(=O)NCc1cccs1 ZINC000895109767 734964906 /nfs/dbraw/zinc/96/49/06/734964906.db2.gz WPIQVQVXLAXNKT-AWEZNQCLSA-N 1 0 364.467 2.656 20 10 FFCDRO CN(C)c1ccc(CN(C)Cn2cc(I)cn2)cc1 ZINC000738017044 735018774 /nfs/dbraw/zinc/01/87/74/735018774.db2.gz PEHMCBNVNZSFIR-UHFFFAOYSA-N 1 0 370.238 2.643 20 10 FFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(F)(F)F ZINC000895714826 735046133 /nfs/dbraw/zinc/04/61/33/735046133.db2.gz XTGCTSKXSOGWTH-ZRUQZJFASA-N 1 0 369.767 2.987 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000895792207 735056197 /nfs/dbraw/zinc/05/61/97/735056197.db2.gz BLKAWOFEKHWLOH-NVXWUHKLSA-N 1 0 354.445 2.700 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1F ZINC000896392581 735151846 /nfs/dbraw/zinc/15/18/46/735151846.db2.gz GUVKWNIDWBWHQN-SCLBCKFNSA-N 1 0 353.413 2.741 20 10 FFCDRO C[C@]1([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)COC(=O)N1 ZINC000896396766 735152891 /nfs/dbraw/zinc/15/28/91/735152891.db2.gz KYWMLQUDYLPPET-MEDUHNTESA-N 1 0 369.259 2.865 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)cc1C ZINC000742368168 735234335 /nfs/dbraw/zinc/23/43/35/735234335.db2.gz XKEBPBPLPLYNIO-UHFFFAOYSA-N 1 0 362.495 2.986 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C12CC[NH+](CC1)C2 ZINC000901056303 735739490 /nfs/dbraw/zinc/73/94/90/735739490.db2.gz HSPKKUXYOKQGLZ-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1O ZINC000903212989 736056328 /nfs/dbraw/zinc/05/63/28/736056328.db2.gz JWMSBWSUXATPTC-VXGBXAGGSA-N 1 0 355.276 2.982 20 10 FFCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000903369662 736083698 /nfs/dbraw/zinc/08/36/98/736083698.db2.gz ZHWPHBUERVJEMO-APWZRJJASA-N 1 0 366.527 2.531 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]CC2(O)CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000903373383 736084906 /nfs/dbraw/zinc/08/49/06/736084906.db2.gz VEWHRGKFYRNXCY-JSGCOSHPSA-N 1 0 351.418 2.717 20 10 FFCDRO C[C@](O)(C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F ZINC000905134677 736301210 /nfs/dbraw/zinc/30/12/10/736301210.db2.gz KZXNNJGWTZPATR-BZNIZROVSA-N 1 0 350.356 2.863 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756397189 736327856 /nfs/dbraw/zinc/32/78/56/736327856.db2.gz OYRDBYQXSRFJDD-ABAIWWIYSA-N 1 0 364.442 2.559 20 10 FFCDRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756552733 736342086 /nfs/dbraw/zinc/34/20/86/736342086.db2.gz HBWZVDAYQBENFY-RYUDHWBXSA-N 1 0 374.298 2.580 20 10 FFCDRO CN(C)c1cc[nH+]c(CNC(=S)Nc2ccc3c(c2)OCCCO3)c1 ZINC000905619692 736369946 /nfs/dbraw/zinc/36/99/46/736369946.db2.gz XRBQUUXKVLOJLY-UHFFFAOYSA-N 1 0 358.467 2.796 20 10 FFCDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000757955053 736439614 /nfs/dbraw/zinc/43/96/14/736439614.db2.gz BTKRPLFSPGOCIC-UHFFFAOYSA-N 1 0 370.814 2.517 20 10 FFCDRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1[NH+](C)C ZINC000760210636 736621818 /nfs/dbraw/zinc/62/18/18/736621818.db2.gz YEKFHNZNSWMDPT-IAGOWNOFSA-N 1 0 358.511 2.607 20 10 FFCDRO CN(C)c1ccc(CN(C(=S)NCC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000760476703 736642541 /nfs/dbraw/zinc/64/25/41/736642541.db2.gz DSAHBYSMKMJALC-UHFFFAOYSA-N 1 0 360.571 2.933 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907758718 736664414 /nfs/dbraw/zinc/66/44/14/736664414.db2.gz SROYDECYMFJCNZ-GXTWGEPZSA-N 1 0 353.260 2.788 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764780699 737048993 /nfs/dbraw/zinc/04/89/93/737048993.db2.gz RQXGNSANXSPZDI-ZDUSSCGKSA-N 1 0 370.291 2.828 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)NCc1cccc(Br)c1O ZINC000764796461 737050395 /nfs/dbraw/zinc/05/03/95/737050395.db2.gz DREMXJIREBYVHC-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO C[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[S@@](C)=O ZINC000765285442 737104824 /nfs/dbraw/zinc/10/48/24/737104824.db2.gz IOUIHTHMCUQDCV-JBEBIEQOSA-N 1 0 353.488 2.832 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000765445420 737119525 /nfs/dbraw/zinc/11/95/25/737119525.db2.gz SMEKFEYVNLRPDE-OLZOCXBDSA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978856 737179973 /nfs/dbraw/zinc/17/99/73/737179973.db2.gz QGRMJXOAXXNWNT-HNNXBMFYSA-N 1 0 364.536 2.704 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1cc(F)c(F)c(F)c1 ZINC000767710701 737358873 /nfs/dbraw/zinc/35/88/73/737358873.db2.gz HBVOILJZMHMKRS-CQSZACIVSA-N 1 0 351.368 2.980 20 10 FFCDRO COCC[NH+](CCOC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768142733 737401236 /nfs/dbraw/zinc/40/12/36/737401236.db2.gz NHBVELMZXZJXTJ-UHFFFAOYSA-N 1 0 351.447 2.680 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CCc3cccs3)CC2)cc1OC ZINC000768442217 737423137 /nfs/dbraw/zinc/42/31/37/737423137.db2.gz KSBNPQLCOUVTTN-UHFFFAOYSA-N 1 0 362.495 2.831 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)nc3F)cc2)CC1 ZINC000918905441 737832060 /nfs/dbraw/zinc/83/20/60/737832060.db2.gz DYXUPZOWOPPCBO-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO COc1c(O)c(CN2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774847663 738032505 /nfs/dbraw/zinc/03/25/05/738032505.db2.gz WKFDHENDTBQHLN-UHFFFAOYSA-N 1 0 351.447 2.863 20 10 FFCDRO Fc1cc(C[NH2+]CCCO[C@H]2CCCCO2)ccc1N1CCOCC1 ZINC000922235008 738109755 /nfs/dbraw/zinc/10/97/55/738109755.db2.gz ZBENPDIRAKQEHP-IBGZPJMESA-N 1 0 352.450 2.685 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1sccc1C(N)=O ZINC000775834766 738129900 /nfs/dbraw/zinc/12/99/00/738129900.db2.gz PZFGMVLXDGAXOH-VXGBXAGGSA-N 1 0 360.483 2.591 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3nc4c(s3)CCC4)cc2)CC1 ZINC000922716861 738191239 /nfs/dbraw/zinc/19/12/39/738191239.db2.gz XAMKZPJWXQIZGT-UHFFFAOYSA-N 1 0 357.523 2.925 20 10 FFCDRO COc1cc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922735011 738193564 /nfs/dbraw/zinc/19/35/64/738193564.db2.gz WPBPEZJXQXERED-UHFFFAOYSA-N 1 0 357.516 2.859 20 10 FFCDRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(C)c2O)CCOCC1 ZINC000777483460 738293306 /nfs/dbraw/zinc/29/33/06/738293306.db2.gz RFNFXGWHRRULFS-UHFFFAOYSA-N 1 0 372.259 2.665 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)nc2N)c1 ZINC000930215774 739073786 /nfs/dbraw/zinc/07/37/86/739073786.db2.gz ZGTKMUUMSDQEND-VIFPVBQESA-N 1 0 352.232 2.991 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000792895487 739715759 /nfs/dbraw/zinc/71/57/59/739715759.db2.gz TZPQONSWLIRFRC-UHFFFAOYSA-N 1 0 355.360 2.884 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)N1CCOCC1 ZINC000792976851 739725595 /nfs/dbraw/zinc/72/55/95/739725595.db2.gz SCETVBLOHLCOLI-KGLIPLIRSA-N 1 0 359.436 2.970 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c(O)cccc2OC)s1 ZINC000796533608 740150737 /nfs/dbraw/zinc/15/07/37/740150737.db2.gz VVUYRWJKKFLREV-QWRGUYRKSA-N 1 0 364.471 2.568 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000797071389 740209276 /nfs/dbraw/zinc/20/92/76/740209276.db2.gz SGKDVZWHFJCWMQ-ZJUUUORDSA-N 1 0 362.289 2.771 20 10 FFCDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000797998761 740297975 /nfs/dbraw/zinc/29/79/75/740297975.db2.gz IQSBWFYVHPGNHH-LBPRGKRZSA-N 1 0 370.421 2.642 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000798504109 740338855 /nfs/dbraw/zinc/33/88/55/740338855.db2.gz VGOOHQOZAKSRNZ-GOSISDBHSA-N 1 0 350.478 2.941 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000800971833 740574039 /nfs/dbraw/zinc/57/40/39/740574039.db2.gz VRCVFRVPUXGAKQ-MJGOQNOKSA-N 1 0 368.518 2.929 20 10 FFCDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000801735638 740646952 /nfs/dbraw/zinc/64/69/52/740646952.db2.gz WBVWZVDZXRIKJA-ZDUSSCGKSA-N 1 0 368.886 2.892 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805224828 740951115 /nfs/dbraw/zinc/95/11/15/740951115.db2.gz YXSXWBOOUMHPRF-KGLIPLIRSA-N 1 0 370.291 2.827 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000806427449 741059040 /nfs/dbraw/zinc/05/90/40/741059040.db2.gz HWEZNMCTIZGRMU-KGLIPLIRSA-N 1 0 368.275 2.581 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1O ZINC000808674317 741251208 /nfs/dbraw/zinc/25/12/08/741251208.db2.gz DUBTWWZZCGNGHW-GFCCVEGCSA-N 1 0 368.886 2.895 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000809690293 741332014 /nfs/dbraw/zinc/33/20/14/741332014.db2.gz MITKXEOWSZOJEG-LBPRGKRZSA-N 1 0 360.376 2.681 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CC[C@H](O)C(F)(F)F)c1O ZINC000809743536 741339505 /nfs/dbraw/zinc/33/95/05/741339505.db2.gz USOVOWRUVUFZCU-JTQLQIEISA-N 1 0 358.154 2.566 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000809764217 741341113 /nfs/dbraw/zinc/34/11/13/741341113.db2.gz CNPBSJNFLRRDOB-BXUZGUMPSA-N 1 0 357.292 2.935 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000809789156 741344333 /nfs/dbraw/zinc/34/43/33/741344333.db2.gz ZOVBFCZDXYCTLP-UHOFOFEASA-N 1 0 352.862 2.791 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810210075 741398134 /nfs/dbraw/zinc/39/81/34/741398134.db2.gz MUMUTJMPATVHLD-MFKMUULPSA-N 1 0 351.390 2.886 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCSC3)cc2F)CC1 ZINC000810362118 741411373 /nfs/dbraw/zinc/41/13/73/741411373.db2.gz QFVSVJUIHZLTMH-MRXNPFEDSA-N 1 0 365.518 2.727 20 10 FFCDRO FC(F)Cn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000814288725 741809645 /nfs/dbraw/zinc/80/96/45/741809645.db2.gz CQYKEWJSPSJXTR-UHFFFAOYSA-N 1 0 352.454 2.991 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCc2nccnc2C)c1O ZINC000815152911 741907525 /nfs/dbraw/zinc/90/75/25/741907525.db2.gz ABBWOHRSMDWQHQ-UHFFFAOYSA-N 1 0 352.232 2.594 20 10 FFCDRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(C)c2O)CC1=O ZINC000817410830 742139375 /nfs/dbraw/zinc/13/93/75/742139375.db2.gz HWGUAQZFJDTPOT-GFCCVEGCSA-N 1 0 355.276 2.811 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1O ZINC000817864726 742219222 /nfs/dbraw/zinc/21/92/22/742219222.db2.gz BAYDITDTRDBMIC-GVXVVHGQSA-N 1 0 357.292 2.969 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000818220247 742251419 /nfs/dbraw/zinc/25/14/19/742251419.db2.gz GTIZFYIJGHOYOY-AWEZNQCLSA-N 1 0 350.413 2.773 20 10 FFCDRO O=C(/C=C\[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000819398831 742385511 /nfs/dbraw/zinc/38/55/11/742385511.db2.gz QANYADIMIVUJGS-KIZNEFEJSA-N 1 0 364.873 2.861 20 10 FFCDRO CN(Cc1cccs1)c1ccc(CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000823697446 742963673 /nfs/dbraw/zinc/96/36/73/742963673.db2.gz KAQFNTXDFYPYAC-IBGZPJMESA-N 1 0 359.539 2.931 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(Br)cc1O)C[C@@H]1CCCO1 ZINC000825910319 743342473 /nfs/dbraw/zinc/34/24/73/743342473.db2.gz GAGBZUPYRSSJJW-HNNXBMFYSA-N 1 0 357.292 2.697 20 10 FFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)C1CCOCC1 ZINC000826872011 743460081 /nfs/dbraw/zinc/46/00/81/743460081.db2.gz GNKJTWYJDVCBNM-HNNXBMFYSA-N 1 0 358.276 2.994 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)c(O)c1 ZINC000826894699 743464783 /nfs/dbraw/zinc/46/47/83/743464783.db2.gz UKPJIOKNTHJJGV-OLZOCXBDSA-N 1 0 361.360 2.964 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544858 743598053 /nfs/dbraw/zinc/59/80/53/743598053.db2.gz MNYXONVDNZXWFV-AWEZNQCLSA-N 1 0 370.291 2.651 20 10 FFCDRO O=C(CSC1CC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000827685490 744960012 /nfs/dbraw/zinc/96/00/12/744960012.db2.gz NSYIEZCLCFACQT-UHFFFAOYSA-N 1 0 359.539 2.730 20 10 FFCDRO O=C(Cc1cscn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544500 745378049 /nfs/dbraw/zinc/37/80/49/745378049.db2.gz QUIUDAJNLPUWEU-CQSZACIVSA-N 1 0 365.886 2.825 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831212624 745499372 /nfs/dbraw/zinc/49/93/72/745499372.db2.gz SBIRGCBHFLTPQC-GHMZBOCLSA-N 1 0 358.280 2.812 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000832292513 745673659 /nfs/dbraw/zinc/67/36/59/745673659.db2.gz HXLKMGNPJBLBJS-AWEZNQCLSA-N 1 0 352.360 2.596 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000834316222 745817356 /nfs/dbraw/zinc/81/73/56/745817356.db2.gz DDCNLCGXCQYQNZ-UGSOOPFHSA-N 1 0 361.873 2.936 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000834850614 745914037 /nfs/dbraw/zinc/91/40/37/745914037.db2.gz OCKLJTCIKUADRO-HIFRSBDPSA-N 1 0 371.319 2.961 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834851482 745914571 /nfs/dbraw/zinc/91/45/71/745914571.db2.gz YAQVOBVFOQXRPE-TZMCWYRMSA-N 1 0 357.292 2.652 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1O ZINC000834851467 745914654 /nfs/dbraw/zinc/91/46/54/745914654.db2.gz XSUFEDRYDFGTGM-ZFWWWQNUSA-N 1 0 371.319 2.961 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000835054203 745940387 /nfs/dbraw/zinc/94/03/87/745940387.db2.gz HDVDGPZRSDGDLZ-SNAWJCMRSA-N 1 0 350.528 2.959 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000835054200 745940418 /nfs/dbraw/zinc/94/04/18/745940418.db2.gz HDVDGPZRSDGDLZ-PLNGDYQASA-N 1 0 350.528 2.959 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H](C)F)cc2F)CC1 ZINC000836483231 746234951 /nfs/dbraw/zinc/23/49/51/746234951.db2.gz QDICILOLONHRPO-CQSZACIVSA-N 1 0 354.445 2.515 20 10 FFCDRO CN(C)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838988666 746751662 /nfs/dbraw/zinc/75/16/62/746751662.db2.gz JWDFRVVDOHTOBC-UHFFFAOYSA-N 1 0 354.292 2.617 20 10 FFCDRO O[C@@H]1COCCN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839124278 746780918 /nfs/dbraw/zinc/78/09/18/746780918.db2.gz WDNZIZNTEHDXSR-HNNXBMFYSA-N 1 0 369.303 2.633 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000840965142 747245603 /nfs/dbraw/zinc/24/56/03/747245603.db2.gz AYGACZUPLIGCEY-UHFFFAOYSA-N 1 0 361.463 2.638 20 10 FFCDRO CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841071383 747263805 /nfs/dbraw/zinc/26/38/05/747263805.db2.gz FISAFTPVESJSCJ-VIFPVBQESA-N 1 0 352.070 2.744 20 10 FFCDRO [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000841100095 747269071 /nfs/dbraw/zinc/26/90/71/747269071.db2.gz ULJXAHFDBCNTFM-CYBMUJFWSA-N 1 0 356.257 2.586 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1O ZINC000841744450 747446919 /nfs/dbraw/zinc/44/69/19/747446919.db2.gz HOMDODLZIRRCIR-ZDUSSCGKSA-N 1 0 368.886 2.816 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000841798948 747463553 /nfs/dbraw/zinc/46/35/53/747463553.db2.gz ODSSQABPPZTOTD-HOCLYGCPSA-N 1 0 350.482 2.798 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000841849691 747475881 /nfs/dbraw/zinc/47/58/81/747475881.db2.gz GWKIKEBLPCQEKT-NUEKZKHPSA-N 1 0 356.495 2.516 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000842740111 747674755 /nfs/dbraw/zinc/67/47/55/747674755.db2.gz KWXDRTPEDMGIAW-UHFFFAOYSA-N 1 0 351.443 2.629 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000842784511 747687391 /nfs/dbraw/zinc/68/73/91/747687391.db2.gz HHOWWRBHLDPCTQ-LJQANCHMSA-N 1 0 359.495 2.608 20 10 FFCDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000844173506 747983709 /nfs/dbraw/zinc/98/37/09/747983709.db2.gz GJGAVCUCNCIGJG-IBGZPJMESA-N 1 0 355.507 2.864 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C1CC1 ZINC000846122033 748411906 /nfs/dbraw/zinc/41/19/06/748411906.db2.gz FSFFHGZUYZCDCX-UONOGXRCSA-N 1 0 354.244 2.786 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000846182296 748424998 /nfs/dbraw/zinc/42/49/98/748424998.db2.gz BLIAUZSCWFXBSV-FUHWJXTLSA-N 1 0 365.543 2.752 20 10 FFCDRO CC[C@@](C)(CO)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590962 748736493 /nfs/dbraw/zinc/73/64/93/748736493.db2.gz LPUVTDRMGQBUPZ-QAPCUYQASA-N 1 0 354.878 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000848528829 748950566 /nfs/dbraw/zinc/95/05/66/748950566.db2.gz PTKWLVNXOSAFPE-NEPJUHHUSA-N 1 0 374.275 2.867 20 10 FFCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848533701 748952883 /nfs/dbraw/zinc/95/28/83/748952883.db2.gz UFNNUFCRBOKTCY-JQWIXIFHSA-N 1 0 371.275 2.825 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848565412 748962014 /nfs/dbraw/zinc/96/20/14/748962014.db2.gz WLTVXAYGPGJUAE-PWSUYJOCSA-N 1 0 365.275 2.800 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848569482 748962875 /nfs/dbraw/zinc/96/28/75/748962875.db2.gz FDSQQHFTYSPZEN-CABZTGNLSA-N 1 0 355.232 2.789 20 10 FFCDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000848600020 748971019 /nfs/dbraw/zinc/97/10/19/748971019.db2.gz HXIVLNIAXJWYJT-KRWDZBQOSA-N 1 0 367.902 2.693 20 10 FFCDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000849115792 749057179 /nfs/dbraw/zinc/05/71/79/749057179.db2.gz DPVKBPSTQWBVPE-CYBMUJFWSA-N 1 0 352.429 2.558 20 10 FFCDRO COc1cc(C[NH2+]CCCN2CCC(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850072429 749295941 /nfs/dbraw/zinc/29/59/41/749295941.db2.gz XEHIGGYZLSHCSE-UHFFFAOYSA-N 1 0 350.503 2.635 20 10 FFCDRO COc1cc(C[NH2+]CCS(=O)(=O)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000850193035 749320748 /nfs/dbraw/zinc/32/07/48/749320748.db2.gz JZPKQQURNUCVHQ-UHFFFAOYSA-N 1 0 355.500 2.613 20 10 FFCDRO COC[C@H](CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000850487296 749372120 /nfs/dbraw/zinc/37/21/20/749372120.db2.gz YXQQYMQMAPZAJP-JQWIXIFHSA-N 1 0 362.264 2.865 20 10 FFCDRO CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000850510155 749378195 /nfs/dbraw/zinc/37/81/95/749378195.db2.gz VPIBELGKIOBTAJ-GOEBONIOSA-N 1 0 363.376 2.620 20 10 FFCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000851660296 749643178 /nfs/dbraw/zinc/64/31/78/749643178.db2.gz JTVKSTIFVZBVTQ-ZIAGYGMSSA-N 1 0 352.910 2.983 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000397451592 845868323 /nfs/dbraw/zinc/86/83/23/845868323.db2.gz NNCQFAVLMRTFOE-GFCCVEGCSA-N 1 0 356.850 2.771 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895832678 970997042 /nfs/dbraw/zinc/99/70/42/970997042.db2.gz LROHETPXZZJKGV-XBXGTLAGSA-N 1 0 366.458 2.802 20 10 FFCDRO C[N@H+]1CC=C(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888587771 1013071917 /nfs/dbraw/zinc/07/19/17/1013071917.db2.gz MXIBHNGSGWYDPM-UHFFFAOYSA-N 1 0 362.437 2.780 20 10 FFCDRO COc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c(O)c1OC ZINC000893309159 971506660 /nfs/dbraw/zinc/50/66/60/971506660.db2.gz OEJIGQMCMORLTE-UHFFFAOYSA-N 1 0 364.486 2.878 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000896573444 971593419 /nfs/dbraw/zinc/59/34/19/971593419.db2.gz USMCNNZPKVHSNL-QRWLVFNGSA-N 1 0 372.488 2.597 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000783219896 971622166 /nfs/dbraw/zinc/62/21/66/971622166.db2.gz BJIYNGDOSWDGBF-AZUAARDMSA-N 1 0 359.514 2.683 20 10 FFCDRO CCn1cc([C@H](C)[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000162782126 971964106 /nfs/dbraw/zinc/96/41/06/971964106.db2.gz BMTOXBAEQRCSMC-SFHVURJKSA-N 1 0 371.529 2.775 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275893817 1013151751 /nfs/dbraw/zinc/15/17/51/1013151751.db2.gz NLYSMFXTAPYESG-IBGZPJMESA-N 1 0 364.873 2.815 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH3+])c3ccccc32)cc1 ZINC000872154750 1013158363 /nfs/dbraw/zinc/15/83/63/1013158363.db2.gz YBDXOAINHCNZNP-SFHVURJKSA-N 1 0 366.509 2.664 20 10 FFCDRO CC[N@H+](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)C1CC1 ZINC000120072024 958812604 /nfs/dbraw/zinc/81/26/04/958812604.db2.gz SXLWRESKYIUAKU-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001020404082 958967134 /nfs/dbraw/zinc/96/71/34/958967134.db2.gz HOIDURLWNKCRMW-ZYNAIFEFSA-N 1 0 358.482 2.556 20 10 FFCDRO CCOC1CC2(C[C@@H]2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245947 962562487 /nfs/dbraw/zinc/56/24/87/962562487.db2.gz KMMLNFHYFWIHJH-LSNYBQGISA-N 1 0 359.514 2.677 20 10 FFCDRO CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(O)cc1 ZINC000891247198 962570661 /nfs/dbraw/zinc/57/06/61/962570661.db2.gz GXJIDPJKCKHLGI-PMACEKPBSA-N 1 0 371.481 2.565 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ocnc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891247788 962578773 /nfs/dbraw/zinc/57/87/73/962578773.db2.gz VFUSLKNKLHPHPF-CYBMUJFWSA-N 1 0 370.375 2.792 20 10 FFCDRO Cc1ccc(/C=C\C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891249724 962584817 /nfs/dbraw/zinc/58/48/17/962584817.db2.gz VYXSERWNMGMQMV-VPLQDYMCSA-N 1 0 352.482 2.888 20 10 FFCDRO Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1C(C)C ZINC000891249510 962586088 /nfs/dbraw/zinc/58/60/88/962586088.db2.gz TYSLDOASPRRUCY-LJQANCHMSA-N 1 0 357.502 2.871 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2[nH]cnc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891248949 962588358 /nfs/dbraw/zinc/58/83/58/962588358.db2.gz OZWJAOIPMQNGCK-ZDUSSCGKSA-N 1 0 369.391 2.527 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1Cn1cccn1 ZINC000873031032 1013355512 /nfs/dbraw/zinc/35/55/12/1013355512.db2.gz NYSFJEFQVVOPEB-UHFFFAOYSA-N 1 0 364.440 2.759 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2O)[NH+](C)C)cc1 ZINC000891251178 962600745 /nfs/dbraw/zinc/60/07/45/962600745.db2.gz AOHMKIGDUVPHMG-LJQANCHMSA-N 1 0 355.482 2.810 20 10 FFCDRO COCc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891254923 962616753 /nfs/dbraw/zinc/61/67/53/962616753.db2.gz KCMBOPVPBDCCFA-HXUWFJFHSA-N 1 0 355.482 2.932 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cn1cccn1 ZINC000873096008 1013382981 /nfs/dbraw/zinc/38/29/81/1013382981.db2.gz SSTRJDRYESIPSQ-RLLQIKCJSA-N 1 0 353.466 2.987 20 10 FFCDRO CN1c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2CC1=O ZINC001167431325 963094920 /nfs/dbraw/zinc/09/49/20/963094920.db2.gz SRRNRIKOQAKIEE-UHFFFAOYSA-N 1 0 350.466 2.569 20 10 FFCDRO CNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001167434466 963177459 /nfs/dbraw/zinc/17/74/59/963177459.db2.gz LICZXBZXUASZEW-UHFFFAOYSA-N 1 0 356.445 2.549 20 10 FFCDRO C[C@H]1Oc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2NC1=O ZINC001167434387 963177789 /nfs/dbraw/zinc/17/77/89/963177789.db2.gz LASJHFXYVFESGC-OAHLLOKOSA-N 1 0 366.465 2.770 20 10 FFCDRO COC(=O)c1cnc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167437127 963270738 /nfs/dbraw/zinc/27/07/38/963270738.db2.gz MAIWLHYPUFPVGO-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C(C)C ZINC000120833555 965860430 /nfs/dbraw/zinc/86/04/30/965860430.db2.gz DQXYEAKDRBUQDE-KRWDZBQOSA-N 1 0 360.498 2.895 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000892192895 966246010 /nfs/dbraw/zinc/24/60/10/966246010.db2.gz IJKMQZSAHMWDEM-IAGOWNOFSA-N 1 0 374.529 2.599 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2ncc[nH]2)cc1C ZINC001087231461 967153737 /nfs/dbraw/zinc/15/37/37/967153737.db2.gz VZNWDUXXTPZTTI-QAPCUYQASA-N 1 0 370.497 2.686 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000065698159 968245440 /nfs/dbraw/zinc/24/54/40/968245440.db2.gz YGIBRHHEUNXJKE-MRXNPFEDSA-N 1 0 372.513 2.510 20 10 FFCDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)CC1 ZINC000177671876 969299121 /nfs/dbraw/zinc/29/91/21/969299121.db2.gz IDRYEMFDIITYOK-UHFFFAOYSA-N 1 0 369.465 2.796 20 10 FFCDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(O)c1O ZINC000177673614 969302694 /nfs/dbraw/zinc/30/26/94/969302694.db2.gz PINVVWORSGDBED-UHFFFAOYSA-N 1 0 358.413 2.940 20 10 FFCDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000892607439 969584505 /nfs/dbraw/zinc/58/45/05/969584505.db2.gz WVKVWGAIUOTONF-QXCFHYIPSA-N 1 0 373.497 2.613 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)cc1 ZINC000895310633 970303070 /nfs/dbraw/zinc/30/30/70/970303070.db2.gz QJRQMKVLHSLODW-OAHLLOKOSA-N 1 0 358.438 2.787 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237263875 970539604 /nfs/dbraw/zinc/53/96/04/970539604.db2.gz GFHXGCUUIXVXLU-QZTJIDSGSA-N 1 0 359.514 2.760 20 10 FFCDRO Cc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000895504000 970675396 /nfs/dbraw/zinc/67/53/96/970675396.db2.gz XQEAQWPYAVSFBB-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000840781854 973146127 /nfs/dbraw/zinc/14/61/27/973146127.db2.gz XQMZZTZXAOVZIC-QGZVFWFLSA-N 1 0 374.525 2.803 20 10 FFCDRO C[C@H](Cc1ccncc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893451503 974118860 /nfs/dbraw/zinc/11/88/60/974118860.db2.gz HSUGXZLJXRQVBJ-OXQOHEQNSA-N 1 0 369.513 2.681 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1c1ccc(F)cc1 ZINC000840969792 974308045 /nfs/dbraw/zinc/30/80/45/974308045.db2.gz MWEFKMHAQQLNTC-FQEVSTJZSA-N 1 0 369.440 2.557 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000653163245 1014242932 /nfs/dbraw/zinc/24/29/32/1014242932.db2.gz NHMYKEIKRDVLNX-HZPDHXFCSA-N 1 0 369.509 2.972 20 10 FFCDRO Nc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1 ZINC000876504288 1014287180 /nfs/dbraw/zinc/28/71/80/1014287180.db2.gz LQJGFEVUFNEZQW-TZIWHRDSSA-N 1 0 351.450 2.746 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000893608238 975915092 /nfs/dbraw/zinc/91/50/92/975915092.db2.gz UALRZNHJNRYEPN-LJQANCHMSA-N 1 0 357.498 2.546 20 10 FFCDRO COc1ccc2c(c1)CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000066961883 975967537 /nfs/dbraw/zinc/96/75/37/975967537.db2.gz OMYVGPKVBWZNPS-UHFFFAOYSA-N 1 0 367.493 2.778 20 10 FFCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876551722 1014301727 /nfs/dbraw/zinc/30/17/27/1014301727.db2.gz ZILHANACOUJYIW-UHFFFAOYSA-N 1 0 367.493 2.639 20 10 FFCDRO COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447776 976468942 /nfs/dbraw/zinc/46/89/42/976468942.db2.gz LXFXBUGOYVQRDL-CTNGQTDRSA-N 1 0 363.546 2.777 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cccn(C(F)F)c3=O)CC2)cc1 ZINC000876630736 1014331570 /nfs/dbraw/zinc/33/15/70/1014331570.db2.gz JQQKKSGUDDZEKX-UHFFFAOYSA-N 1 0 363.408 2.964 20 10 FFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876656221 1014341242 /nfs/dbraw/zinc/34/12/42/1014341242.db2.gz IAHQMNOUEDVJHK-IBGZPJMESA-N 1 0 373.541 2.776 20 10 FFCDRO CO[C@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899097987 976904144 /nfs/dbraw/zinc/90/41/44/976904144.db2.gz JZIRDUZVOXHKCF-RBUKOAKNSA-N 1 0 362.518 2.566 20 10 FFCDRO COC1(C)CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899103857 976913606 /nfs/dbraw/zinc/91/36/06/976913606.db2.gz OGVRWFBWZGVWBS-GOSISDBHSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCc3ncsc3C2)[NH+](C)C)cc1 ZINC000899103609 976914277 /nfs/dbraw/zinc/91/42/77/976914277.db2.gz NHIMWMWQEDJRSI-QGZVFWFLSA-N 1 0 373.526 2.580 20 10 FFCDRO COC(=O)CCC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876726634 1014367082 /nfs/dbraw/zinc/36/70/82/1014367082.db2.gz LVJLDAUVLXFTFI-UHFFFAOYSA-N 1 0 360.498 2.813 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)Cc1ccccc1 ZINC000877117062 1014478655 /nfs/dbraw/zinc/47/86/55/1014478655.db2.gz ZYMKGAZAZYVTSM-VGSWGCGISA-N 1 0 354.494 2.729 20 10 FFCDRO CCCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000825952540 1014543063 /nfs/dbraw/zinc/54/30/63/1014543063.db2.gz BVJFEZAUJIETMJ-PXNSSMCTSA-N 1 0 374.529 2.710 20 10 FFCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000877549886 1014623071 /nfs/dbraw/zinc/62/30/71/1014623071.db2.gz BREMYTUMHHKTSF-OAQYLSRUSA-N 1 0 369.509 2.892 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N(O)Cc3ccccc3)cc2)CC1 ZINC000904202382 980213912 /nfs/dbraw/zinc/21/39/12/980213912.db2.gz DYNOSCABNJIQOY-UHFFFAOYSA-N 1 0 354.454 2.539 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@]1(O)CCc2ccccc21 ZINC000877604581 1014642169 /nfs/dbraw/zinc/64/21/69/1014642169.db2.gz ODCIMUALACTTLF-HSZRJFAPSA-N 1 0 366.505 2.914 20 10 FFCDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1N ZINC000904501449 980288489 /nfs/dbraw/zinc/28/84/89/980288489.db2.gz ZHYRQQGLPVYEFC-SFHVURJKSA-N 1 0 371.485 2.768 20 10 FFCDRO C[C@]12C[NH+](Cc3cc(-c4ccccc4)ccc3O)C[C@]1(C)C(=O)NC2=O ZINC000877669039 1014668172 /nfs/dbraw/zinc/66/81/72/1014668172.db2.gz UYVASQMTJYPDGV-NHCUHLMSSA-N 1 0 350.418 2.544 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1 ZINC000877688047 1014682860 /nfs/dbraw/zinc/68/28/60/1014682860.db2.gz PFVGCUAIRRRFJJ-MJGOQNOKSA-N 1 0 369.465 2.795 20 10 FFCDRO CCc1cccc(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1O ZINC000877692307 1014687749 /nfs/dbraw/zinc/68/77/49/1014687749.db2.gz YCSBYOZDJGREDF-MOPGFXCFSA-N 1 0 353.466 2.959 20 10 FFCDRO CCc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1O ZINC000877692310 1014688729 /nfs/dbraw/zinc/68/87/29/1014688729.db2.gz YCSBYOZDJGREDF-RTBURBONSA-N 1 0 353.466 2.959 20 10 FFCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC000841710556 981235261 /nfs/dbraw/zinc/23/52/61/981235261.db2.gz YRQMAGOMPKULBR-LEWJYISDSA-N 1 0 364.493 2.923 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000910559949 981997059 /nfs/dbraw/zinc/99/70/59/981997059.db2.gz YJEWCRWRHCDJSJ-IBGZPJMESA-N 1 0 374.573 2.524 20 10 FFCDRO COc1cccc2[nH]c(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc21 ZINC000911668188 983863896 /nfs/dbraw/zinc/86/38/96/983863896.db2.gz VXNRJGOOVMUCQY-MRXNPFEDSA-N 1 0 352.438 2.672 20 10 FFCDRO [NH3+][C@@H](CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000165411152 984456462 /nfs/dbraw/zinc/45/64/62/984456462.db2.gz MALYYRVHYLYRIS-IBGZPJMESA-N 1 0 371.456 2.759 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN(c4cnn(C)c4)C3)CC2)cc1 ZINC000166550594 984526128 /nfs/dbraw/zinc/52/61/28/984526128.db2.gz JPGHFMAAPYICLQ-SFHVURJKSA-N 1 0 369.513 2.656 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(c4cnccn4)CC3)CC2)cc1 ZINC000765639340 985259162 /nfs/dbraw/zinc/25/91/62/985259162.db2.gz WQHIEYWLPKGICZ-UHFFFAOYSA-N 1 0 367.497 2.713 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000172612790 985625811 /nfs/dbraw/zinc/62/58/11/985625811.db2.gz RLYNHYRVEJGKLI-UHFFFAOYSA-N 1 0 353.466 2.719 20 10 FFCDRO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000173383782 985813506 /nfs/dbraw/zinc/81/35/06/985813506.db2.gz GWKNYAVQIRQWOY-INIZCTEOSA-N 1 0 374.485 2.807 20 10 FFCDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977363 988168687 /nfs/dbraw/zinc/16/86/87/988168687.db2.gz GMNTVPAQHSMYKW-GOSISDBHSA-N 1 0 372.534 2.951 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)c1 ZINC000922407276 988585786 /nfs/dbraw/zinc/58/57/86/988585786.db2.gz RTIRCOBJOZSYFU-CZUORRHYSA-N 1 0 360.458 2.516 20 10 FFCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(O)c1O ZINC000187016102 989535034 /nfs/dbraw/zinc/53/50/34/989535034.db2.gz JDOLQYGLCCGGCB-UHFFFAOYSA-N 1 0 367.449 2.882 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CC[N@H+](CC(C)(C)O)C[C@H]3C)c2c1 ZINC000188842998 989956329 /nfs/dbraw/zinc/95/63/29/989956329.db2.gz CIIYHKRQMXAFKL-OAHLLOKOSA-N 1 0 358.482 2.831 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000702601502 990009593 /nfs/dbraw/zinc/00/95/93/990009593.db2.gz IJKIOSMKGPUZJN-NRFANRHFSA-N 1 0 356.466 2.518 20 10 FFCDRO CC(C)[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(N(C)C)cc1 ZINC000917416820 990215826 /nfs/dbraw/zinc/21/58/26/990215826.db2.gz AFHFKOIDSYONRN-UHFFFAOYSA-N 1 0 360.502 2.731 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000918080100 990330499 /nfs/dbraw/zinc/33/04/99/990330499.db2.gz WCXUHLUJQCZVFG-PMACEKPBSA-N 1 0 372.513 2.544 20 10 FFCDRO CCc1ccc(C(=O)N2CCN(Cc3cccc(OC)c3O)CC2)cc1 ZINC000154703412 990378892 /nfs/dbraw/zinc/37/88/92/990378892.db2.gz WJAQPDLDTWCIML-UHFFFAOYSA-N 1 0 354.450 2.921 20 10 FFCDRO CCCN(Cc1ccc(I)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236324861 991159128 /nfs/dbraw/zinc/15/91/28/991159128.db2.gz VPYXDJPIQHBSPJ-CYBMUJFWSA-N 1 0 360.239 2.571 20 10 FFCDRO C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC000237588973 991281736 /nfs/dbraw/zinc/28/17/36/991281736.db2.gz JJOYUKHASLESMX-WELJNPPOSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1cc2nc(C[NH2+][C@@H](C)c3ccccc3O)[nH]c(=O)c2cc1OC ZINC000879651237 1015625863 /nfs/dbraw/zinc/62/58/63/1015625863.db2.gz ODOBEQWZLFBKMS-NSHDSACASA-N 1 0 355.394 2.909 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1O ZINC000180039755 991413068 /nfs/dbraw/zinc/41/30/68/991413068.db2.gz WVNMNGKHIIWQNG-UHFFFAOYSA-N 1 0 359.514 2.609 20 10 FFCDRO C[N@H+](CCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183039482 992346019 /nfs/dbraw/zinc/34/60/19/992346019.db2.gz CGSHRGXQMZZPBQ-UHFFFAOYSA-N 1 0 356.466 2.735 20 10 FFCDRO CC(C)c1nccc(N2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001089867897 992688857 /nfs/dbraw/zinc/68/88/57/992688857.db2.gz VLQNANWJDPQESC-SJLPKXTDSA-N 1 0 371.529 2.583 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4CN(C(C)=O)C[C@H]43)CC2)cc1 ZINC000808722216 994230831 /nfs/dbraw/zinc/23/08/31/994230831.db2.gz AXOYYRJJZQCIDE-ZPMCFJSWSA-N 1 0 371.525 2.901 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c(C)noc3C)C[C@H]2C)cc1C ZINC001082421471 994554910 /nfs/dbraw/zinc/55/49/10/994554910.db2.gz DODHRGTZXWERQP-CXAGYDPISA-N 1 0 357.454 2.859 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000809727492 994581942 /nfs/dbraw/zinc/58/19/42/994581942.db2.gz LCJIPLLDLBDIJN-UHFFFAOYSA-N 1 0 368.525 2.872 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000809737833 994599429 /nfs/dbraw/zinc/59/94/29/994599429.db2.gz MGUDWMXHRDXVQU-UHFFFAOYSA-N 1 0 364.392 2.963 20 10 FFCDRO CCCC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810124048 994705410 /nfs/dbraw/zinc/70/54/10/994705410.db2.gz ARBJUPDINCCXQX-MRXNPFEDSA-N 1 0 365.493 2.789 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3cc(C[NH+](C)C)ccn3)CC2)cc1 ZINC000880594157 1015884408 /nfs/dbraw/zinc/88/44/08/1015884408.db2.gz IPMCGTAZVMLHCT-UHFFFAOYSA-N 1 0 369.469 2.506 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593299775 994724607 /nfs/dbraw/zinc/72/46/07/994724607.db2.gz VSCZQGYPLAPCPB-CQSZACIVSA-N 1 0 358.438 2.882 20 10 FFCDRO CN(C)c1ccc([C@@H](CN[C@H](c2ncc[nH]2)c2cccnc2)[NH+](C)C)cc1 ZINC000903448289 1015896954 /nfs/dbraw/zinc/89/69/54/1015896954.db2.gz MSXMFOBURKADBF-UXHICEINSA-N 1 0 364.497 2.853 20 10 FFCDRO COC(=O)C1(OC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000810756051 994907840 /nfs/dbraw/zinc/90/78/40/994907840.db2.gz RDBJUKKWLTZFOX-UHFFFAOYSA-N 1 0 370.449 2.657 20 10 FFCDRO CC[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000727938209 996095021 /nfs/dbraw/zinc/09/50/21/996095021.db2.gz FENRNNMPLTYEDB-GOSISDBHSA-N 1 0 374.529 2.791 20 10 FFCDRO CC(C)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000730105303 996854035 /nfs/dbraw/zinc/85/40/35/996854035.db2.gz DXVYQMMJFDDLNF-ZRGWGRIASA-N 1 0 365.493 2.642 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000824685342 997052653 /nfs/dbraw/zinc/05/26/53/997052653.db2.gz DMNKCIINVOVGOV-ZWKOTPCHSA-N 1 0 374.529 2.505 20 10 FFCDRO c1cc([C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CCO2)ccn1 ZINC000824948556 997155380 /nfs/dbraw/zinc/15/53/80/997155380.db2.gz RFLCNETYSWMUNO-FPOVZHCZSA-N 1 0 353.466 2.928 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])c3ccc(C)cc3)CC2)cc1 ZINC000844175272 997694540 /nfs/dbraw/zinc/69/45/40/997694540.db2.gz IXDWKGDPEWVVNK-FQEVSTJZSA-N 1 0 353.466 2.742 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000844908031 998246390 /nfs/dbraw/zinc/24/63/90/998246390.db2.gz PKIQRWWCIHKIHJ-KRWDZBQOSA-N 1 0 362.518 2.647 20 10 FFCDRO CCOC(=O)c1[nH]ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001144333397 998354347 /nfs/dbraw/zinc/35/43/47/998354347.db2.gz DEAUICUJZWDAFH-UHFFFAOYSA-N 1 0 357.454 2.660 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000845242024 998451541 /nfs/dbraw/zinc/45/15/41/998451541.db2.gz KUYABAQIGRVBGW-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO CCn1ncc2c1C[N@H+](Cc1c(O)cc(O)cc1O)C[C@H]2COCC1CC1 ZINC001144509891 998623052 /nfs/dbraw/zinc/62/30/52/998623052.db2.gz NCPBUUZFUMRMQM-AWEZNQCLSA-N 1 0 373.453 2.546 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnccn2)cc1C ZINC001085121669 998980786 /nfs/dbraw/zinc/98/07/86/998980786.db2.gz SACIPWNADKABNT-IAGOWNOFSA-N 1 0 354.454 2.624 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnsn2)cc1C ZINC001085142537 999016776 /nfs/dbraw/zinc/01/67/76/999016776.db2.gz FQAWWADPDJFZGT-HUUCEWRRSA-N 1 0 360.483 2.686 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000743863319 999835526 /nfs/dbraw/zinc/83/55/26/999835526.db2.gz DKNFQDUAZFBDHR-UHFFFAOYSA-N 1 0 357.498 2.610 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1c(C)cnc1C[NH3+])N=[N+]=[N-] ZINC001169021059 1000017410 /nfs/dbraw/zinc/01/74/10/1000017410.db2.gz WPZBLGQWSFSKKS-AUWJEWJLSA-N 1 0 355.402 2.866 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)cc1 ZINC000766605695 1000025355 /nfs/dbraw/zinc/02/53/55/1000025355.db2.gz MNBAQUAIAMHBQU-YADHBBJMSA-N 1 0 373.541 2.897 20 10 FFCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccn1 ZINC000766734265 1000054841 /nfs/dbraw/zinc/05/48/41/1000054841.db2.gz LMWGYOQYKLAGGD-LJQANCHMSA-N 1 0 373.522 2.947 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000767371236 1000111781 /nfs/dbraw/zinc/11/17/81/1000111781.db2.gz MGTHCOVLZVPDPP-TZIWHRDSSA-N 1 0 370.518 2.815 20 10 FFCDRO COc1ccc(F)cc1CN1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768193302 1000194276 /nfs/dbraw/zinc/19/42/76/1000194276.db2.gz HZILPJMLSFGOBN-UHFFFAOYSA-N 1 0 360.429 2.866 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC000768251687 1000200659 /nfs/dbraw/zinc/20/06/59/1000200659.db2.gz SSFTVDCHFNQZDS-UHFFFAOYSA-N 1 0 374.573 2.909 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cc(=O)n3ccccc3n2)cc1F ZINC000846111587 1000203173 /nfs/dbraw/zinc/20/31/73/1000203173.db2.gz UIOMNEAGUVBIAJ-UHFFFAOYSA-N 1 0 354.429 2.970 20 10 FFCDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768440313 1000248480 /nfs/dbraw/zinc/24/84/80/1000248480.db2.gz VSUPVNSXCLXIIF-NRFANRHFSA-N 1 0 368.477 2.834 20 10 FFCDRO C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000768466703 1000264658 /nfs/dbraw/zinc/26/46/58/1000264658.db2.gz VBNWVMZKIHYAMN-IERDGZPVSA-N 1 0 368.477 2.914 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000768818658 1000358748 /nfs/dbraw/zinc/35/87/48/1000358748.db2.gz UTLGOOYNEPIGGL-MRXNPFEDSA-N 1 0 371.456 2.985 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001144867687 1000367762 /nfs/dbraw/zinc/36/77/62/1000367762.db2.gz BWOGCHLNYNDMPT-HXUWFJFHSA-N 1 0 359.514 2.997 20 10 FFCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000772953547 1000429007 /nfs/dbraw/zinc/42/90/07/1000429007.db2.gz RBUZZJIWVPLMIW-UHFFFAOYSA-N 1 0 362.474 2.837 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)C(F)F ZINC000769165969 1000453458 /nfs/dbraw/zinc/45/34/58/1000453458.db2.gz XRZSGROHQYXXEZ-UHFFFAOYSA-N 1 0 373.394 2.735 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000769320698 1000493076 /nfs/dbraw/zinc/49/30/76/1000493076.db2.gz UOCRSFMLINBFRP-QFBILLFUSA-N 1 0 359.514 2.513 20 10 FFCDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000769494621 1000534122 /nfs/dbraw/zinc/53/41/22/1000534122.db2.gz MBCKBAWQGNGESY-AWEZNQCLSA-N 1 0 350.418 2.786 20 10 FFCDRO Cn1cc(-c2ccnc(/C=C\c3ccc(N4CC[NH+](C)CC4)cc3)n2)cn1 ZINC000771529610 1001138236 /nfs/dbraw/zinc/13/82/36/1001138236.db2.gz VJOZJGLXUQWHHT-YVMONPNESA-N 1 0 360.465 2.799 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C(=O)N3CCc4cccc(O)c4C3)cc2)CC1 ZINC001149005255 1001243673 /nfs/dbraw/zinc/24/36/73/1001243673.db2.gz TXOWHYBZEBGYNO-UHFFFAOYSA-N 1 0 365.477 2.733 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)cc1 ZINC000788506500 1001813724 /nfs/dbraw/zinc/81/37/24/1001813724.db2.gz MEXGTLUGUYHRCM-NQIIRXRSSA-N 1 0 361.530 2.755 20 10 FFCDRO CCOC(=O)[C@@]1(F)C[N@H+](Cc2cc(C)cc(OC)c2O)CC12CCC2 ZINC001182856931 1002072774 /nfs/dbraw/zinc/07/27/74/1002072774.db2.gz ZIBAYHIVNRHKEW-IBGZPJMESA-N 1 0 351.418 2.967 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cn2c(n1)CCC2 ZINC000843832166 1002162970 /nfs/dbraw/zinc/16/29/70/1002162970.db2.gz UFYKGAPGKINJNS-OAHLLOKOSA-N 1 0 374.872 2.583 20 10 FFCDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000789727747 1002179395 /nfs/dbraw/zinc/17/93/95/1002179395.db2.gz TXAZFWGEDYOCFX-HXUWFJFHSA-N 1 0 370.497 2.863 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+]2CCCC2)cc1 ZINC000790065259 1002274472 /nfs/dbraw/zinc/27/44/72/1002274472.db2.gz KPWVTUCCDCRCBU-MRXNPFEDSA-N 1 0 374.412 2.812 20 10 FFCDRO COC(=O)c1cc(C2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)no1 ZINC001183483130 1002289115 /nfs/dbraw/zinc/28/91/15/1002289115.db2.gz RKFXAIPAQBGOBI-UHFFFAOYSA-N 1 0 360.410 2.863 20 10 FFCDRO COc1c(O)c(CNc2ccccc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000774930508 1003070004 /nfs/dbraw/zinc/07/00/04/1003070004.db2.gz TXPHIABWCQQVGU-UHFFFAOYSA-N 1 0 372.425 2.673 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000793386480 1003359867 /nfs/dbraw/zinc/35/98/67/1003359867.db2.gz SHPTZOJMVBEYFT-UHFFFAOYSA-N 1 0 368.393 2.999 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)c(O)c1 ZINC000793390355 1003362217 /nfs/dbraw/zinc/36/22/17/1003362217.db2.gz PMJXCWKMRAEXFJ-CYBMUJFWSA-N 1 0 374.437 2.925 20 10 FFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793609436 1003444213 /nfs/dbraw/zinc/44/42/13/1003444213.db2.gz KIRAUIMGMGGWHM-BBRMVZONSA-N 1 0 357.406 2.631 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000102558177 1003885422 /nfs/dbraw/zinc/88/54/22/1003885422.db2.gz AMTDEDFHGMLKLI-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000806538595 1004347333 /nfs/dbraw/zinc/34/73/33/1004347333.db2.gz MZTISKZSLWLGJD-SFHVURJKSA-N 1 0 359.514 2.998 20 10 FFCDRO O=C(c1ccc(O)c(O)c1Cl)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001193232444 1004411888 /nfs/dbraw/zinc/41/18/88/1004411888.db2.gz JUCCTFIKBATMQJ-UHFFFAOYSA-N 1 0 365.792 2.684 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775830929 1004527794 /nfs/dbraw/zinc/52/77/94/1004527794.db2.gz NLQKMHDNDRYGDX-KBXCAEBGSA-N 1 0 359.426 2.751 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000775833635 1004545860 /nfs/dbraw/zinc/54/58/60/1004545860.db2.gz FSJPIQZYKOTBQB-INIZCTEOSA-N 1 0 353.466 2.792 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000808157095 1004763688 /nfs/dbraw/zinc/76/36/88/1004763688.db2.gz SKXKEZWZMJCNMX-MOPGFXCFSA-N 1 0 371.456 2.514 20 10 FFCDRO Cc1cccc(C)c1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001194653493 1004781121 /nfs/dbraw/zinc/78/11/21/1004781121.db2.gz YURUBJCBQWTRHX-UHFFFAOYSA-N 1 0 373.522 2.534 20 10 FFCDRO CC[C@@H](C)COC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001194819761 1004823352 /nfs/dbraw/zinc/82/33/52/1004823352.db2.gz JEJYBIHUXUJVQK-QGZVFWFLSA-N 1 0 363.502 2.980 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(OC)ccc1O ZINC000775643398 1004908294 /nfs/dbraw/zinc/90/82/94/1004908294.db2.gz WWTWOMPRXSUIBR-UHFFFAOYSA-N 1 0 372.421 2.633 20 10 FFCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CCC2CCCC2)[NH+](C)C)cc1 ZINC001195786534 1005042773 /nfs/dbraw/zinc/04/27/73/1005042773.db2.gz ADUJTDCSVMHYID-IBGZPJMESA-N 1 0 367.559 2.855 20 10 FFCDRO O=c1[nH]c2ccccc2n1CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200952793 1005154433 /nfs/dbraw/zinc/15/44/33/1005154433.db2.gz UJNWOJOTKJQUBY-UHFFFAOYSA-N 1 0 370.428 2.507 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1(C)C ZINC000776160034 1005207978 /nfs/dbraw/zinc/20/79/78/1005207978.db2.gz ZLKYEZUBOYWLQM-NZSAHSFTSA-N 1 0 359.514 2.682 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000850034292 1005780117 /nfs/dbraw/zinc/78/01/17/1005780117.db2.gz KLJMJAAWMYUVHB-AEKWLRTRSA-N 1 0 364.461 2.727 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3-c3cccnc3)C2)cc1 ZINC000850345640 1005808959 /nfs/dbraw/zinc/80/89/59/1005808959.db2.gz GWARERBRKLJUAE-GOSISDBHSA-N 1 0 363.465 2.859 20 10 FFCDRO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cn2c1 ZINC000850406463 1005813697 /nfs/dbraw/zinc/81/36/97/1005813697.db2.gz HHPIOTKKOASZPW-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)CC1 ZINC000850406009 1005813837 /nfs/dbraw/zinc/81/38/37/1005813837.db2.gz OAXPZWITCCSLPL-UHFFFAOYSA-N 1 0 363.465 2.723 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850509936 1005819649 /nfs/dbraw/zinc/81/96/49/1005819649.db2.gz UCIAIRVEODOHHB-KSSFIOAISA-N 1 0 371.437 2.718 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851640528 1005902249 /nfs/dbraw/zinc/90/22/49/1005902249.db2.gz XJAZLQFVGKDOGF-OXQOHEQNSA-N 1 0 351.450 2.625 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000851654998 1005903471 /nfs/dbraw/zinc/90/34/71/1005903471.db2.gz MCOOPLVWPMXSHC-WOJBJXKFSA-N 1 0 370.472 2.837 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000851656283 1005903547 /nfs/dbraw/zinc/90/35/47/1005903547.db2.gz IKQHNXOKEFHQNF-KRWDZBQOSA-N 1 0 362.493 2.813 20 10 FFCDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2ccccc2O)cc1 ZINC000851672813 1005905435 /nfs/dbraw/zinc/90/54/35/1005905435.db2.gz HAIYNIHXAKYRCN-OALUTQOASA-N 1 0 369.465 2.736 20 10 FFCDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000813856922 1006058043 /nfs/dbraw/zinc/05/80/43/1006058043.db2.gz DTQMUKFBDFTNRW-XJKSGUPXSA-N 1 0 367.440 2.904 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852777826 1006179524 /nfs/dbraw/zinc/17/95/24/1006179524.db2.gz ZDVHULUMIWTAMI-UHFFFAOYSA-N 1 0 371.506 2.503 20 10 FFCDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868766 1006213673 /nfs/dbraw/zinc/21/36/73/1006213673.db2.gz MYSRZCKWBFYQIX-UXHICEINSA-N 1 0 359.514 2.562 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2F)C[C@@H](C)O1 ZINC000853098425 1006294859 /nfs/dbraw/zinc/29/48/59/1006294859.db2.gz JDKNQNGDJYBGHJ-STXHMFSFSA-N 1 0 359.445 2.658 20 10 FFCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122732 1006305236 /nfs/dbraw/zinc/30/52/36/1006305236.db2.gz UJJNZFBSDCTCCL-QFIPXVFZSA-N 1 0 354.494 2.731 20 10 FFCDRO Cc1cc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)ccc1N(C)C ZINC000815076458 1006508957 /nfs/dbraw/zinc/50/89/57/1006508957.db2.gz RCIPVWPQNHOHJT-UHFFFAOYSA-N 1 0 351.450 2.789 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncc3c(F)cccn32)[NH+](C)C)cc1 ZINC001134882997 1006526288 /nfs/dbraw/zinc/52/62/88/1006526288.db2.gz WOLPDDUYRKHJKU-QGZVFWFLSA-N 1 0 369.444 2.572 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(F)c([N+](=O)[O-])cc3CO)cc2)CC1 ZINC000882879928 1006544077 /nfs/dbraw/zinc/54/40/77/1006544077.db2.gz UIUDZBKXDXRTPX-UHFFFAOYSA-N 1 0 374.416 2.590 20 10 FFCDRO CC12CC(C1)CN2C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000853942387 1006594665 /nfs/dbraw/zinc/59/46/65/1006594665.db2.gz DGAYCJIMYWSZSP-UHFFFAOYSA-N 1 0 368.525 2.913 20 10 FFCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775190412 1006671333 /nfs/dbraw/zinc/67/13/33/1006671333.db2.gz VQMHASKCBSHVLA-IBGZPJMESA-N 1 0 353.514 2.552 20 10 FFCDRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000854231890 1006734880 /nfs/dbraw/zinc/73/48/80/1006734880.db2.gz OMYWZXVWQFGVOP-CYBMUJFWSA-N 1 0 359.449 2.621 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)C2)cc1 ZINC000854298221 1006764535 /nfs/dbraw/zinc/76/45/35/1006764535.db2.gz YKJYXXMSXZROKQ-ZWOKBUDYSA-N 1 0 372.513 2.542 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775256526 1007086634 /nfs/dbraw/zinc/08/66/34/1007086634.db2.gz ZLRYTVQCIULVTI-KSZLIROESA-N 1 0 359.514 2.678 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc2ccccc2c1O)NCc1ccccc1 ZINC000816542302 1007104042 /nfs/dbraw/zinc/10/40/42/1007104042.db2.gz KKFJSDDKVQBVSX-UHFFFAOYSA-N 1 0 370.474 2.755 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775259251 1007130883 /nfs/dbraw/zinc/13/08/83/1007130883.db2.gz PSVPPBJWWFRCKP-FGTMMUONSA-N 1 0 359.514 2.963 20 10 FFCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000816637533 1007141819 /nfs/dbraw/zinc/14/18/19/1007141819.db2.gz HDJLIVXUBKUIKQ-FQEVSTJZSA-N 1 0 355.482 2.768 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000775262139 1007152548 /nfs/dbraw/zinc/15/25/48/1007152548.db2.gz YNBHZYJPOVAMNE-CQSZACIVSA-N 1 0 374.872 2.861 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000775369397 1007537069 /nfs/dbraw/zinc/53/70/69/1007537069.db2.gz AUNYEUBMVHHJEI-GFCCVEGCSA-N 1 0 357.410 2.649 20 10 FFCDRO c1ccc(CN2CCc3cc(C[NH2+][C@@H]4CCc5nnnn5CC4)ccc32)cc1 ZINC000817420201 1007595325 /nfs/dbraw/zinc/59/53/25/1007595325.db2.gz PORGMKRWSZMTBR-HXUWFJFHSA-N 1 0 374.492 2.731 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000856212665 1007728552 /nfs/dbraw/zinc/72/85/52/1007728552.db2.gz QSGOJIQSRFIVND-OAQYLSRUSA-N 1 0 371.525 2.671 20 10 FFCDRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000775406762 1007754617 /nfs/dbraw/zinc/75/46/17/1007754617.db2.gz ZWCAFRFKOHXUGP-OAHLLOKOSA-N 1 0 356.470 2.579 20 10 FFCDRO COc1ccc(Br)c(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206363594 1032255461 /nfs/dbraw/zinc/25/54/61/1032255461.db2.gz YIGWYVXIDMNZSU-HNNXBMFYSA-N 1 0 361.255 2.816 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818221351 1007887623 /nfs/dbraw/zinc/88/76/23/1007887623.db2.gz RAKAPUZFFJRYAN-KRWDZBQOSA-N 1 0 353.466 2.671 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000114583337 1007968074 /nfs/dbraw/zinc/96/80/74/1007968074.db2.gz AOYYPICQSMYODL-KRWDZBQOSA-N 1 0 361.417 2.642 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000818985046 1008001867 /nfs/dbraw/zinc/00/18/67/1008001867.db2.gz MEGNVEYBPPGOJU-KRWDZBQOSA-N 1 0 371.437 2.507 20 10 FFCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968332 1008011571 /nfs/dbraw/zinc/01/15/71/1008011571.db2.gz RAOBPWYDSXBOTM-WIYYLYMNSA-N 1 0 367.493 2.520 20 10 FFCDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094172 1008032234 /nfs/dbraw/zinc/03/22/34/1008032234.db2.gz ARGMKRANQQMGBB-NRFANRHFSA-N 1 0 366.461 2.795 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819076901 1008038426 /nfs/dbraw/zinc/03/84/26/1008038426.db2.gz HAGUWMIWTNFYOZ-HXUWFJFHSA-N 1 0 358.482 2.737 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000115817837 1008290228 /nfs/dbraw/zinc/29/02/28/1008290228.db2.gz JEMLYUOAKIJNOT-KRWDZBQOSA-N 1 0 374.529 2.647 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccc3oc(=O)n(C)c3c2)ccc1OC ZINC000858294180 1008341396 /nfs/dbraw/zinc/34/13/96/1008341396.db2.gz LXGJJPZPQJNPAM-UHFFFAOYSA-N 1 0 356.422 2.966 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000858527630 1008375714 /nfs/dbraw/zinc/37/57/14/1008375714.db2.gz UCUXLFDRBHFSCY-KBPBESRZSA-N 1 0 366.458 2.687 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1C ZINC000858676821 1008401671 /nfs/dbraw/zinc/40/16/71/1008401671.db2.gz OXJYDVABTAVVOG-QGZVFWFLSA-N 1 0 353.466 2.897 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000886149394 1008588986 /nfs/dbraw/zinc/58/89/86/1008588986.db2.gz MWBNWUMITDDRJE-ZWKOTPCHSA-N 1 0 360.498 2.839 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1 ZINC000859615586 1008589781 /nfs/dbraw/zinc/58/97/81/1008589781.db2.gz RQPMVVCZNNPYFU-OAQYLSRUSA-N 1 0 361.530 2.632 20 10 FFCDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324997 1008637727 /nfs/dbraw/zinc/63/77/27/1008637727.db2.gz PMZLSCDQJSQJPA-FXAWDEMLSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886325361 1008638839 /nfs/dbraw/zinc/63/88/39/1008638839.db2.gz CLAZPHXJTKRNHR-UHFFFAOYSA-N 1 0 353.466 2.687 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000886519207 1008712690 /nfs/dbraw/zinc/71/26/90/1008712690.db2.gz QLCMWBZRHIDVPK-MRXNPFEDSA-N 1 0 354.454 2.677 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000886749345 1008859277 /nfs/dbraw/zinc/85/92/77/1008859277.db2.gz QFOYZZLEGPIOQU-FQEVSTJZSA-N 1 0 359.514 2.683 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1C ZINC001178180952 1008899340 /nfs/dbraw/zinc/89/93/40/1008899340.db2.gz NOLPYNAZPYECSC-SJORKVTESA-N 1 0 354.516 2.591 20 10 FFCDRO COCCN(CC[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001178398315 1008965890 /nfs/dbraw/zinc/96/58/90/1008965890.db2.gz MIOSADSHUGDINY-UHFFFAOYSA-N 1 0 364.486 2.985 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C2)cc1 ZINC000823378025 1009038048 /nfs/dbraw/zinc/03/80/48/1009038048.db2.gz CLZBPSQPJXGZFE-AOIWGVFYSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc4cccnc4o3)CC2)cc1 ZINC000823716859 1009199407 /nfs/dbraw/zinc/19/94/07/1009199407.db2.gz UECFGRFCUWMECM-UHFFFAOYSA-N 1 0 366.465 2.748 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726697 1009205103 /nfs/dbraw/zinc/20/51/03/1009205103.db2.gz WUCZDQBCVSWRHQ-ZWKOTPCHSA-N 1 0 374.529 2.553 20 10 FFCDRO Nc1ccc(-n2cc(-c3csc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)n3)nn2)cc1 ZINC000887453902 1009238738 /nfs/dbraw/zinc/23/87/38/1009238738.db2.gz ITLSQCZYONOXDA-YOEHRIQHSA-N 1 0 368.466 2.509 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 ZINC001179458523 1009341535 /nfs/dbraw/zinc/34/15/35/1009341535.db2.gz UZYYYDKOYMJSSZ-VOTSOKGWSA-N 1 0 365.543 2.606 20 10 FFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC001179637414 1009396153 /nfs/dbraw/zinc/39/61/53/1009396153.db2.gz YMZRXLOKOWVPLF-LLYBFZRZSA-N 1 0 368.346 2.964 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000861808506 1009565971 /nfs/dbraw/zinc/56/59/71/1009565971.db2.gz MHMQXBUSVNMYAO-JXFKEZNVSA-N 1 0 351.450 2.683 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000861809473 1009566655 /nfs/dbraw/zinc/56/66/55/1009566655.db2.gz VNOOBJKRQLLSKE-WIYYLYMNSA-N 1 0 365.477 2.612 20 10 FFCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000777222301 1009601931 /nfs/dbraw/zinc/60/19/31/1009601931.db2.gz LKALVPDILNDJPL-UONOGXRCSA-N 1 0 366.458 2.756 20 10 FFCDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001180390126 1009659619 /nfs/dbraw/zinc/65/96/19/1009659619.db2.gz WMSWDSNDQBIETR-UHFFFAOYSA-N 1 0 359.392 2.576 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000862272593 1009777467 /nfs/dbraw/zinc/77/74/67/1009777467.db2.gz QBIMEMWGMCBODR-UHFFFAOYSA-N 1 0 373.428 2.524 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000862352800 1009801509 /nfs/dbraw/zinc/80/15/09/1009801509.db2.gz HQRJRHUFVRASOR-CXAGYDPISA-N 1 0 366.458 2.515 20 10 FFCDRO COC(=O)CN1CCC([NH2+]Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000862527891 1009863099 /nfs/dbraw/zinc/86/30/99/1009863099.db2.gz JQZHJPPRZGTZIX-UHFFFAOYSA-N 1 0 355.482 2.821 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000862759061 1009959929 /nfs/dbraw/zinc/95/99/29/1009959929.db2.gz UCKCUMRDVIXCBT-UHFFFAOYSA-N 1 0 368.477 2.835 20 10 FFCDRO CC[C@@H](F)C[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240887 1010147030 /nfs/dbraw/zinc/14/70/30/1010147030.db2.gz MEAKWYWVEZPLAI-BPLDGKMQSA-N 1 0 363.437 2.895 20 10 FFCDRO O=[N+]([O-])c1c(NCc2cc3ccccc3cc2O)ncnc1C1C[NH2+]C1 ZINC001171402217 1010178501 /nfs/dbraw/zinc/17/85/01/1010178501.db2.gz JFPWNQOPORCBAV-UHFFFAOYSA-N 1 0 351.366 2.543 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@@H]3CC=CCC3)CC2)cc1 ZINC000863578603 1010262498 /nfs/dbraw/zinc/26/24/98/1010262498.db2.gz PWHFEHPVBOEGED-CTNGQTDRSA-N 1 0 373.541 2.514 20 10 FFCDRO Cc1cc(C[NH2+]C[C@H](O)COC2CCOCC2)c(C)n1-c1ccccc1 ZINC000863583342 1010264177 /nfs/dbraw/zinc/26/41/77/1010264177.db2.gz UDNCWWSWJYAZNC-FQEVSTJZSA-N 1 0 358.482 2.740 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)n3cccn3)C[C@H]2C)cc1C ZINC001093649557 1010414712 /nfs/dbraw/zinc/41/47/12/1010414712.db2.gz FUQOBIAHOCJNPD-ZHALLVOQSA-N 1 0 370.497 2.645 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1OC ZINC001182285756 1010481585 /nfs/dbraw/zinc/48/15/85/1010481585.db2.gz OTMGSTDNUBJJPD-WBVHZDCISA-N 1 0 365.451 2.834 20 10 FFCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865716452 1010849326 /nfs/dbraw/zinc/84/93/26/1010849326.db2.gz SXOPNCJVXSWHLK-JOCHJYFZSA-N 1 0 370.493 2.615 20 10 FFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000120901628 1010929320 /nfs/dbraw/zinc/92/93/20/1010929320.db2.gz CBJVWJMDJJVFFX-UHFFFAOYSA-N 1 0 352.482 2.549 20 10 FFCDRO CCOC(=O)C1(C)CC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000866244402 1010961285 /nfs/dbraw/zinc/96/12/85/1010961285.db2.gz NMHPPYGWCCUAEJ-UHFFFAOYSA-N 1 0 364.461 2.608 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(N2CCCCCC2)cc1 ZINC000866519637 1011008421 /nfs/dbraw/zinc/00/84/21/1011008421.db2.gz SXKUKLRZLAZJLY-DYESRHJHSA-N 1 0 373.497 2.939 20 10 FFCDRO CN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001275033392 1011837983 /nfs/dbraw/zinc/83/79/83/1011837983.db2.gz ANUVWVBSBZDRDS-NQIIRXRSSA-N 1 0 352.434 2.546 20 10 FFCDRO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1c([O-])cc(F)cc1F ZINC001275230281 1012112272 /nfs/dbraw/zinc/11/22/72/1012112272.db2.gz YDFPIAUIMVJVNY-QGZVFWFLSA-N 1 0 360.351 2.893 20 10 FFCDRO Cc1noc(C)c1CN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001275232514 1012115171 /nfs/dbraw/zinc/11/51/71/1012115171.db2.gz RITYFGSULGRIFQ-HXUWFJFHSA-N 1 0 355.438 2.764 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C4CCCC4)C3)C2)c1 ZINC001275237901 1012126701 /nfs/dbraw/zinc/12/67/01/1012126701.db2.gz FHSNORQXYZFGKE-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275248612 1012139134 /nfs/dbraw/zinc/13/91/34/1012139134.db2.gz POXGAEFABXZKGQ-SCLBCKFNSA-N 1 0 352.862 2.647 20 10 FFCDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123035720 1012289050 /nfs/dbraw/zinc/28/90/50/1012289050.db2.gz BBUWBNBXYCWTNG-HDICACEKSA-N 1 0 362.537 2.882 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(-c3nnn4c3C[NH2+]CC4)n2)cc1 ZINC001217216512 1032658134 /nfs/dbraw/zinc/65/81/34/1032658134.db2.gz HHHZDGGGLDXIBQ-UHFFFAOYSA-N 1 0 361.409 2.506 20 10 FFCDRO CN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001275673511 1012823705 /nfs/dbraw/zinc/82/37/05/1012823705.db2.gz ZQUXPTQVVMGWLB-WIYYLYMNSA-N 1 0 352.434 2.546 20 10 FFCDRO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001275675653 1012825218 /nfs/dbraw/zinc/82/52/18/1012825218.db2.gz HWVOGJLGPBFKPC-UKRRQHHQSA-N 1 0 362.470 2.623 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3CCCO)cc2)C1 ZINC000924726091 1017450504 /nfs/dbraw/zinc/45/05/04/1017450504.db2.gz KWZKHFARAFNBCX-ZVDOUQERSA-N 1 0 373.541 2.809 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000828564925 1032754802 /nfs/dbraw/zinc/75/48/02/1032754802.db2.gz YDXJSOIWVSARDE-GHTZIAJQSA-N 1 0 371.525 2.792 20 10 FFCDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000827725688 1018629001 /nfs/dbraw/zinc/62/90/01/1018629001.db2.gz LMXKAEHCZSHGSM-IIBYNOLFSA-N 1 0 365.477 2.587 20 10 FFCDRO C[C@H](NC(=O)[C@H](C[NH3+])c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000827726126 1018631097 /nfs/dbraw/zinc/63/10/97/1018631097.db2.gz RSLDBHRDEDKESW-MGPUTAFESA-N 1 0 371.456 2.582 20 10 FFCDRO Cc1cc(C(=O)CN2CCN(C)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000828610430 1032778693 /nfs/dbraw/zinc/77/86/93/1032778693.db2.gz CLTYJEFCGZBEAV-LSDHHAIUSA-N 1 0 358.461 2.835 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000929230522 1019325772 /nfs/dbraw/zinc/32/57/72/1019325772.db2.gz VXKSZEPZRUDRMJ-OAHLLOKOSA-N 1 0 374.514 2.906 20 10 FFCDRO Cc1cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)ccc1N1CCCCC1 ZINC000827944742 1019385110 /nfs/dbraw/zinc/38/51/10/1019385110.db2.gz LOPIECMJUJNVEO-UHFFFAOYSA-N 1 0 352.482 2.637 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001045129651 1019850709 /nfs/dbraw/zinc/85/07/09/1019850709.db2.gz RTVRMFUYDNTRLO-OTWHNJEPSA-N 1 0 360.498 2.899 20 10 FFCDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC)c1O ZINC000725844727 1020270230 /nfs/dbraw/zinc/27/02/30/1020270230.db2.gz ZVAWJPBFUPGWMO-SFHVURJKSA-N 1 0 356.466 2.970 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2F)CC1 ZINC000902763829 1020459236 /nfs/dbraw/zinc/45/92/36/1020459236.db2.gz ZQGLMIAYUXQETL-WUKSYQMZSA-N 1 0 360.473 2.690 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000800856678 1020602613 /nfs/dbraw/zinc/60/26/13/1020602613.db2.gz RHMZJEIGACMMCJ-LJQANCHMSA-N 1 0 364.442 2.858 20 10 FFCDRO COc1c(C)c(O[C@H]2C[NH2+]C[C@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001217964558 1032922299 /nfs/dbraw/zinc/92/22/99/1032922299.db2.gz BZYSBSDBMFNQNA-DIFFPNOSSA-N 1 0 351.402 2.766 20 10 FFCDRO C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000829003105 1032939792 /nfs/dbraw/zinc/93/97/92/1032939792.db2.gz JAXKDPQQJHULFY-ZIFCJYIRSA-N 1 0 360.498 2.926 20 10 FFCDRO C[C@H](Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)C1CC[NH2+]CC1 ZINC001218003139 1032944324 /nfs/dbraw/zinc/94/43/24/1032944324.db2.gz YIGRHOBHARWIPD-LBPRGKRZSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218013707 1032951353 /nfs/dbraw/zinc/95/13/53/1032951353.db2.gz CIGXRECXOBLCDP-ZBFHGGJFSA-N 1 0 355.365 2.637 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1F ZINC000829038838 1032963483 /nfs/dbraw/zinc/96/34/83/1032963483.db2.gz QTAZRIUXCYBMSC-KRWDZBQOSA-N 1 0 373.476 2.723 20 10 FFCDRO O=c1cc(-c2ccc(F)cc2)c2ccc(O[C@H]3C[NH2+]CCOC3)cc2o1 ZINC001218041152 1032968123 /nfs/dbraw/zinc/96/81/23/1032968123.db2.gz CVXJVLNHFIFZOW-INIZCTEOSA-N 1 0 355.365 2.966 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+]C[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218068258 1032977258 /nfs/dbraw/zinc/97/72/58/1032977258.db2.gz DNLSIJCJJXFSJA-HOCLYGCPSA-N 1 0 355.365 2.555 20 10 FFCDRO COc1cccc(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c1O ZINC000934940164 1021477944 /nfs/dbraw/zinc/47/79/44/1021477944.db2.gz JROXFVNPCUJIAU-UHFFFAOYSA-N 1 0 372.465 2.590 20 10 FFCDRO C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]CC2)c1ccc(N2CCOCC2)cc1 ZINC001118130973 1022081404 /nfs/dbraw/zinc/08/14/04/1022081404.db2.gz PGAUSCCJYPIYKT-INIZCTEOSA-N 1 0 365.477 2.660 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001118928398 1022478407 /nfs/dbraw/zinc/47/84/07/1022478407.db2.gz NBRXCHYBRQBGOE-UHFFFAOYSA-N 1 0 373.522 2.527 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CCC3(C[NH2+]C3)C1)C(=O)c1ccccc1C2=O ZINC001218240263 1033066535 /nfs/dbraw/zinc/06/65/35/1033066535.db2.gz YOPSHVZRLVTSIB-ZDUSSCGKSA-N 1 0 363.413 2.997 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000724959418 1022772467 /nfs/dbraw/zinc/77/24/67/1022772467.db2.gz LPXASLRJQXEGNN-GOSISDBHSA-N 1 0 361.486 2.622 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(O)c1 ZINC000829295974 1033085921 /nfs/dbraw/zinc/08/59/21/1033085921.db2.gz CQTZHNXSUIAJLW-MRXNPFEDSA-N 1 0 353.466 2.564 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1OC ZINC000160099168 1022902659 /nfs/dbraw/zinc/90/26/59/1022902659.db2.gz ZBYBTCNNYFFDKS-AWEZNQCLSA-N 1 0 364.486 2.782 20 10 FFCDRO CC[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001276781194 1033100150 /nfs/dbraw/zinc/10/01/50/1033100150.db2.gz VATFXDXBLMEJRT-AWEZNQCLSA-N 1 0 362.470 2.807 20 10 FFCDRO Nc1cc[nH+]cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000188247962 1023045151 /nfs/dbraw/zinc/04/51/51/1023045151.db2.gz LQGFXJAMFLDTOW-GFCCVEGCSA-N 1 0 362.380 2.664 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001276781548 1033106478 /nfs/dbraw/zinc/10/64/78/1033106478.db2.gz XXXNPTSLCUIWHQ-HXUWFJFHSA-N 1 0 360.454 2.727 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc2c1C(=O)c1ccccc1C2=O ZINC001218333358 1033111693 /nfs/dbraw/zinc/11/16/93/1033111693.db2.gz YEWMYEYBGRQYHI-XHBKTUGNSA-N 1 0 363.413 2.766 20 10 FFCDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000752802856 1023207455 /nfs/dbraw/zinc/20/74/55/1023207455.db2.gz KRQPCTSZLTUQDD-OLZOCXBDSA-N 1 0 364.442 2.856 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccncc1)Cc1c(O)ccc2ccncc21 ZINC000754010531 1023414730 /nfs/dbraw/zinc/41/47/30/1023414730.db2.gz PEVZAROJMDIDNQ-UHFFFAOYSA-N 1 0 351.406 2.901 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCC3CCC3)CC2)cc1 ZINC000755268947 1023585247 /nfs/dbraw/zinc/58/52/47/1023585247.db2.gz TZUNEMVVLXBTQS-UHFFFAOYSA-N 1 0 374.529 2.697 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1C ZINC001121349367 1023722421 /nfs/dbraw/zinc/72/24/21/1023722421.db2.gz OPMRWVSAGDUWFE-ZXFUBFMLSA-N 1 0 355.486 2.572 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c2c1c(F)ccc2O ZINC000756524947 1023723022 /nfs/dbraw/zinc/72/30/22/1023723022.db2.gz KUAUJCCFAKJYSZ-KBMXLJTQSA-N 1 0 363.477 2.612 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCCO[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000756900652 1023766120 /nfs/dbraw/zinc/76/61/20/1023766120.db2.gz UXSHNJBWFOBDCA-KRWDZBQOSA-N 1 0 363.458 2.870 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3cc(F)ccc3O)C2)nc1 ZINC000757657998 1023843251 /nfs/dbraw/zinc/84/32/51/1023843251.db2.gz VEMXFDLRODNHTB-LBPRGKRZSA-N 1 0 359.401 2.642 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000757687837 1023848037 /nfs/dbraw/zinc/84/80/37/1023848037.db2.gz IDGPAEITRSPLOT-KBXCAEBGSA-N 1 0 362.493 2.954 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779524290 1023952274 /nfs/dbraw/zinc/95/22/74/1023952274.db2.gz CAJLWEOEHXALMW-IQBZNYMQSA-N 1 0 352.434 2.844 20 10 FFCDRO [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001137835465 1033174398 /nfs/dbraw/zinc/17/43/98/1033174398.db2.gz IDJGTUZZNPTADU-QRWLVFNGSA-N 1 0 358.413 2.592 20 10 FFCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218484290 1033176615 /nfs/dbraw/zinc/17/66/15/1033176615.db2.gz PVOSQPYCCMIIBW-BZNIZROVSA-N 1 0 366.373 2.747 20 10 FFCDRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000779543001 1024024980 /nfs/dbraw/zinc/02/49/80/1024024980.db2.gz BKRJHWABRXHPIP-OAQYLSRUSA-N 1 0 357.498 2.835 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000758522265 1024153402 /nfs/dbraw/zinc/15/34/02/1024153402.db2.gz KBBPZLSZFJGYAU-FGZHOGPDSA-N 1 0 370.468 2.918 20 10 FFCDRO C[NH2+]CCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001121910976 1024160680 /nfs/dbraw/zinc/16/06/80/1024160680.db2.gz PMSMMOZZZWQDPB-UHFFFAOYSA-N 1 0 373.419 2.548 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)c1 ZINC001122028032 1024272423 /nfs/dbraw/zinc/27/24/23/1024272423.db2.gz MZEMCIIVKPTNJK-IDHHARJASA-N 1 0 354.450 2.656 20 10 FFCDRO Cc1cc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(C)n1-c1ccccc1 ZINC001137857433 1033226008 /nfs/dbraw/zinc/22/60/08/1033226008.db2.gz HHTUQVILOYSTAG-UHFFFAOYSA-N 1 0 350.422 2.854 20 10 FFCDRO CN1CCOc2cc(C[N@H+]3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)ccc21 ZINC001141141003 1025510000 /nfs/dbraw/zinc/51/00/00/1025510000.db2.gz NXCKIRVLMZCCEU-CALCHBBNSA-N 1 0 370.522 2.536 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)ccc21 ZINC001141143112 1025515078 /nfs/dbraw/zinc/51/50/78/1025515078.db2.gz NYVYYMHBYGAJFX-UHFFFAOYSA-N 1 0 370.497 2.679 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)[C@H]1c1ccccc1 ZINC001141158497 1025538454 /nfs/dbraw/zinc/53/84/54/1025538454.db2.gz BQLKFYXTLXVXCM-LJQANCHMSA-N 1 0 352.434 2.893 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)CN1c1cccc(F)c1 ZINC001141158828 1025541101 /nfs/dbraw/zinc/54/11/01/1025541101.db2.gz OKTDDUVHXFRKRC-FQEVSTJZSA-N 1 0 356.397 2.866 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC001141159442 1025543263 /nfs/dbraw/zinc/54/32/63/1025543263.db2.gz DCZSAMSRNQPTLF-LJQANCHMSA-N 1 0 370.449 2.833 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)ccc21 ZINC000245955533 1025651133 /nfs/dbraw/zinc/65/11/33/1025651133.db2.gz LUGUAZXKNLSEJZ-ICSRJNTNSA-N 1 0 356.514 2.695 20 10 FFCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837881766 1026082526 /nfs/dbraw/zinc/08/25/26/1026082526.db2.gz HFVZVPHULGCESX-MJGOQNOKSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+](C3CCC3)C3CCC3)CC2)cc1 ZINC000795451967 1026265507 /nfs/dbraw/zinc/26/55/07/1026265507.db2.gz IANMMQAKLHGJKO-OAQYLSRUSA-N 1 0 373.541 2.585 20 10 FFCDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000246976363 1026569555 /nfs/dbraw/zinc/56/95/55/1026569555.db2.gz SXAHZOLPXVHEAZ-INIZCTEOSA-N 1 0 374.485 2.807 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000839148844 1026605994 /nfs/dbraw/zinc/60/59/94/1026605994.db2.gz NLORRKNBNZKKBO-SOFGYWHQSA-N 1 0 373.522 2.854 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839634124 1026767871 /nfs/dbraw/zinc/76/78/71/1026767871.db2.gz SQAJKVSKIJMEKK-LEWJYISDSA-N 1 0 367.493 2.519 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(C)=O)c(O)c3)c2)CC1 ZINC000839728314 1026806539 /nfs/dbraw/zinc/80/65/39/1026806539.db2.gz MNOQANBEGDKSHD-UHFFFAOYSA-N 1 0 367.449 2.989 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000840094390 1026955168 /nfs/dbraw/zinc/95/51/68/1026955168.db2.gz GUFADOIJIRPONY-AWEZNQCLSA-N 1 0 362.470 2.972 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840477877 1027087748 /nfs/dbraw/zinc/08/77/48/1027087748.db2.gz AWKZUNNGYCKZST-QZTJIDSGSA-N 1 0 360.546 2.975 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000840480596 1027089150 /nfs/dbraw/zinc/08/91/50/1027089150.db2.gz XCKJKDRGXQBOED-QGZVFWFLSA-N 1 0 358.530 2.872 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000840488926 1027093180 /nfs/dbraw/zinc/09/31/80/1027093180.db2.gz QGNDMHQWAOTDSO-KRWDZBQOSA-N 1 0 360.546 2.975 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccccc1C ZINC001159084633 1027261207 /nfs/dbraw/zinc/26/12/07/1027261207.db2.gz VDZZVVZKHPKWDQ-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO CCc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1O ZINC001153442842 1027884019 /nfs/dbraw/zinc/88/40/19/1027884019.db2.gz BYMHFKPUOYYVEB-UHFFFAOYSA-N 1 0 353.466 2.636 20 10 FFCDRO C[C@@H](O)[C@H]([NH3+])C(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001160930057 1027927533 /nfs/dbraw/zinc/92/75/33/1027927533.db2.gz OZOHGQUVLKGWRY-ZHRRBRCNSA-N 1 0 364.489 2.774 20 10 FFCDRO COc1cc(C(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)cc(O)c1O ZINC001161435432 1028171068 /nfs/dbraw/zinc/17/10/68/1028171068.db2.gz MNYCQBLZLAYKJX-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161532935 1028218935 /nfs/dbraw/zinc/21/89/35/1028218935.db2.gz ZTNTYZSLECSZMA-XJKSGUPXSA-N 1 0 371.403 2.622 20 10 FFCDRO O=C(C=C1CC[NH2+]CC1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161535022 1028220797 /nfs/dbraw/zinc/22/07/97/1028220797.db2.gz ZBXXUYKYKIXTLM-UHFFFAOYSA-N 1 0 369.387 2.544 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(Cl)ncn3)CC2)cc1 ZINC001156256483 1029115090 /nfs/dbraw/zinc/11/50/90/1029115090.db2.gz AFPJVJHYTYEWOR-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)ncc3C)CC2)cc1 ZINC001156261347 1029116862 /nfs/dbraw/zinc/11/68/62/1029116862.db2.gz SZHCWDZQPXHPBK-UHFFFAOYSA-N 1 0 355.486 2.726 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(C4CC4)ncn3)CC2)cc1 ZINC001156263362 1029117873 /nfs/dbraw/zinc/11/78/73/1029117873.db2.gz VJSJMWSHVNDTBO-UHFFFAOYSA-N 1 0 367.497 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4ccncc4)nn3)cc2)CC1 ZINC001156660180 1029293650 /nfs/dbraw/zinc/29/36/50/1029293650.db2.gz UELXLZWCVGGWNF-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000840932584 1029931732 /nfs/dbraw/zinc/93/17/32/1029931732.db2.gz AUYYDXUOBMHXPR-IBGZPJMESA-N 1 0 367.541 2.756 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1O ZINC000840949329 1029941265 /nfs/dbraw/zinc/94/12/65/1029941265.db2.gz WHMCZFLLGPWRMV-KRWDZBQOSA-N 1 0 358.482 2.716 20 10 FFCDRO Nc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000841300860 1030169924 /nfs/dbraw/zinc/16/99/24/1030169924.db2.gz XLYXHYPPQMKWOB-UHFFFAOYSA-N 1 0 354.454 2.547 20 10 FFCDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(N(C)C)cc1 ZINC000841321848 1030192121 /nfs/dbraw/zinc/19/21/21/1030192121.db2.gz MHRPBBBMLYZVDH-XJKSGUPXSA-N 1 0 353.470 2.846 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000841322436 1030196508 /nfs/dbraw/zinc/19/65/08/1030196508.db2.gz QAXHSNUEDMHTHK-MRXNPFEDSA-N 1 0 353.470 2.594 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cccc(CC[NH+](C)C)c3)C2)cc1 ZINC001166216702 1030307590 /nfs/dbraw/zinc/30/75/90/1030307590.db2.gz PODZJKPTIPSPMD-LJQANCHMSA-N 1 0 367.493 2.808 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]21 ZINC000841707138 1030418511 /nfs/dbraw/zinc/41/85/11/1030418511.db2.gz OETNEFLGGUDBQL-NZSAHSFTSA-N 1 0 374.554 2.509 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)cc1O ZINC000841746763 1030444747 /nfs/dbraw/zinc/44/47/47/1030444747.db2.gz LDBQUEHLYWFTBI-WYRIXSBYSA-N 1 0 373.840 2.951 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000841799663 1030473395 /nfs/dbraw/zinc/47/33/95/1030473395.db2.gz ZOHGBKIMZDZIMH-HXUWFJFHSA-N 1 0 362.493 2.957 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)cs2)cc1 ZINC000841850437 1030502912 /nfs/dbraw/zinc/50/29/12/1030502912.db2.gz UYBXROGCSQXBDN-UHFFFAOYSA-N 1 0 370.522 2.922 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000841855945 1030505826 /nfs/dbraw/zinc/50/58/26/1030505826.db2.gz KALUJZROOURMCU-HOTGVXAUSA-N 1 0 370.522 2.778 20 10 FFCDRO CC(C)(C)OC(=O)NCCCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000698798480 1030558720 /nfs/dbraw/zinc/55/87/20/1030558720.db2.gz OCBYPFFGONCELC-OAHLLOKOSA-N 1 0 350.459 2.901 20 10 FFCDRO O=C(c1ccsc1)N1C[C@@H]2C[NH+](Cc3cc(F)c(F)cc3[O-])C[C@H]2C1 ZINC001142517330 1030567094 /nfs/dbraw/zinc/56/70/94/1030567094.db2.gz JGLDJOAVQFKYTJ-KBPBESRZSA-N 1 0 364.417 2.936 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1O ZINC001203592099 1030776071 /nfs/dbraw/zinc/77/60/71/1030776071.db2.gz CUISSCBCAYPIQW-IEBWSBKVSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)c1O ZINC001203594384 1030777597 /nfs/dbraw/zinc/77/75/97/1030777597.db2.gz XSRRVKSEFQOUAU-JKSUJKDBSA-N 1 0 373.478 2.541 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c1O ZINC001203593212 1030777798 /nfs/dbraw/zinc/77/77/98/1030777798.db2.gz KUCZGZLYYQITCU-UHFFFAOYSA-N 1 0 357.454 2.930 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1O ZINC001203593721 1030778480 /nfs/dbraw/zinc/77/84/80/1030778480.db2.gz PULKVCRVAMDVRF-MJGOQNOKSA-N 1 0 372.440 2.877 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)c2ncc(C)n2CCN3C)c1O ZINC001203610098 1030787549 /nfs/dbraw/zinc/78/75/49/1030787549.db2.gz VIGKQDVPTYVBIX-UHFFFAOYSA-N 1 0 370.497 2.733 20 10 FFCDRO COc1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c(O)c1 ZINC001203621671 1030789750 /nfs/dbraw/zinc/78/97/50/1030789750.db2.gz YMBCEGBMMPXJQS-HUUCEWRRSA-N 1 0 354.422 2.838 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c(O)c1 ZINC001203630799 1030796304 /nfs/dbraw/zinc/79/63/04/1030796304.db2.gz VYNXTTYPLGNPDA-QUCCMNQESA-N 1 0 356.422 2.608 20 10 FFCDRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203657885 1030807728 /nfs/dbraw/zinc/80/77/28/1030807728.db2.gz HUQCFTCUOHOKRS-UHFFFAOYSA-N 1 0 360.889 2.987 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1 ZINC001203672740 1030819206 /nfs/dbraw/zinc/81/92/06/1030819206.db2.gz CSUPCLTWKUBPJB-IYBDPMFKSA-N 1 0 358.463 2.666 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C(=O)OC(C)(C)C ZINC000842616190 1030824965 /nfs/dbraw/zinc/82/49/65/1030824965.db2.gz PUQHKFNINNQCRX-VMGRFDJRSA-N 1 0 363.454 2.618 20 10 FFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)n1 ZINC001203681378 1030825201 /nfs/dbraw/zinc/82/52/01/1030825201.db2.gz VKYGFNNDUXLFNC-UHFFFAOYSA-N 1 0 360.410 2.945 20 10 FFCDRO CN(C)c1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC001203930844 1030989622 /nfs/dbraw/zinc/98/96/22/1030989622.db2.gz JQYXOEBJIOSQLM-QKNQBKEWSA-N 1 0 353.466 2.958 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)cc1 ZINC001203936233 1030995110 /nfs/dbraw/zinc/99/51/10/1030995110.db2.gz KVZGCSQWOJORDF-HXUWFJFHSA-N 1 0 353.466 2.895 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000843066330 1031170281 /nfs/dbraw/zinc/17/02/81/1031170281.db2.gz VADKXIVHKCZNMF-QFIPXVFZSA-N 1 0 372.484 2.728 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncc(O)cn3)CC2)c2ccccc21 ZINC001204239725 1031182026 /nfs/dbraw/zinc/18/20/26/1031182026.db2.gz DRDRQZUKFCVFAC-UHFFFAOYSA-N 1 0 363.465 2.724 20 10 FFCDRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274634 1031201216 /nfs/dbraw/zinc/20/12/16/1031201216.db2.gz RMDDMTQOIYAEEF-SFHVURJKSA-N 1 0 352.434 2.736 20 10 FFCDRO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277733 1031205539 /nfs/dbraw/zinc/20/55/39/1031205539.db2.gz JPPRKBJWHFOZNM-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c1O ZINC001204340423 1031238441 /nfs/dbraw/zinc/23/84/41/1031238441.db2.gz QLAXTDGHPJLPPI-ZDUSSCGKSA-N 1 0 372.259 2.891 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)cc(O)c1O ZINC001204346047 1031243852 /nfs/dbraw/zinc/24/38/52/1031243852.db2.gz KIMRJIIVUFYGFH-LPHOPBHVSA-N 1 0 370.449 2.730 20 10 FFCDRO Cc1ccc(OCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000843298484 1031296437 /nfs/dbraw/zinc/29/64/37/1031296437.db2.gz NKQAEGNZHBNWLY-FQEVSTJZSA-N 1 0 355.482 2.955 20 10 FFCDRO Cc1cc(C)cc(OCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299609 1031297180 /nfs/dbraw/zinc/29/71/80/1031297180.db2.gz VDNPGONQDHTPRV-FQEVSTJZSA-N 1 0 355.482 2.955 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC=C(C)C3)cc2F)CC1 ZINC000798107717 1031310050 /nfs/dbraw/zinc/31/00/50/1031310050.db2.gz GASQFCJDCGXWOG-UHFFFAOYSA-N 1 0 360.477 2.829 20 10 FFCDRO COc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)cc1OC ZINC000843349883 1031340135 /nfs/dbraw/zinc/34/01/35/1031340135.db2.gz LRRGRKPKCGGVHA-AWEZNQCLSA-N 1 0 369.465 2.942 20 10 FFCDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000843495516 1031431089 /nfs/dbraw/zinc/43/10/89/1031431089.db2.gz UAYKQBXVWGGSRB-FQEVSTJZSA-N 1 0 353.466 2.773 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000843506702 1031436304 /nfs/dbraw/zinc/43/63/04/1031436304.db2.gz NEGZYFNSWXVVJT-JXFKEZNVSA-N 1 0 353.466 2.646 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)[C@H](O)CO2 ZINC000799944306 1031928319 /nfs/dbraw/zinc/92/83/19/1031928319.db2.gz ZJQPHPWGHBRBTR-AUUYWEPGSA-N 1 0 369.465 2.730 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC001219203988 1033553736 /nfs/dbraw/zinc/55/37/36/1033553736.db2.gz RKGFZBITJFBVLZ-WUUFJKRQSA-N 1 0 351.450 2.850 20 10 FFCDRO COc1cnc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC001138222141 1033974806 /nfs/dbraw/zinc/97/48/06/1033974806.db2.gz IFUINCPLMSSOGA-UHFFFAOYSA-N 1 0 367.497 2.798 20 10 FFCDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000831308042 1034027668 /nfs/dbraw/zinc/02/76/68/1034027668.db2.gz HOUHVNFRIMMCHM-OALUTQOASA-N 1 0 359.514 2.648 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259947 1034030744 /nfs/dbraw/zinc/03/07/44/1034030744.db2.gz SJAYDFUMBOZSAH-QGZVFWFLSA-N 1 0 357.498 2.946 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001277025942 1034169022 /nfs/dbraw/zinc/16/90/22/1034169022.db2.gz INVXKWBMPFRKCF-IBGZPJMESA-N 1 0 359.401 2.595 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026416 1034172427 /nfs/dbraw/zinc/17/24/27/1034172427.db2.gz QTLKQJGRBWVPQD-GUYCJALGSA-N 1 0 362.445 2.536 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3cc(F)cc(C)c3O)CC2)C1=O ZINC001277026973 1034174494 /nfs/dbraw/zinc/17/44/94/1034174494.db2.gz WZLWMIRJIITZKJ-CQSZACIVSA-N 1 0 362.445 2.632 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CC2)N=C(C)N(C)C3=O)c(OC)c1 ZINC001138391944 1034226888 /nfs/dbraw/zinc/22/68/88/1034226888.db2.gz KDOQQAGHCZSJKN-UHFFFAOYSA-N 1 0 372.513 2.766 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(OC)c1 ZINC001138391578 1034227287 /nfs/dbraw/zinc/22/72/87/1034227287.db2.gz GCSHIIWSPVOAFT-VQIMIIECSA-N 1 0 359.514 2.984 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c(OC)c1 ZINC001138391192 1034228494 /nfs/dbraw/zinc/22/84/94/1034228494.db2.gz CZMZMDIVVGNWKZ-GOSISDBHSA-N 1 0 356.470 2.985 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])c3ccccc3C)C2)cc1 ZINC000831748550 1034256399 /nfs/dbraw/zinc/25/63/99/1034256399.db2.gz GGEHEMSYSXZCQN-OXJNMPFZSA-N 1 0 353.466 2.646 20 10 FFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497265 1034335000 /nfs/dbraw/zinc/33/50/00/1034335000.db2.gz GNMAOMJGCZJJOO-UNMCSNQZSA-N 1 0 374.525 2.931 20 10 FFCDRO Cc1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC001138499092 1034338711 /nfs/dbraw/zinc/33/87/11/1034338711.db2.gz VGPROFCOIGBVBO-UHFFFAOYSA-N 1 0 352.482 2.549 20 10 FFCDRO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499784 1034342644 /nfs/dbraw/zinc/34/26/44/1034342644.db2.gz JBRLXBUMFKQOIN-HXUWFJFHSA-N 1 0 353.466 2.880 20 10 FFCDRO CC(C)N1CCC2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC001138499922 1034343407 /nfs/dbraw/zinc/34/34/07/1034343407.db2.gz OYEMFXMYBFJTQX-UHFFFAOYSA-N 1 0 371.525 2.746 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@]3(C)CC3(C)C)CC2)cc1 ZINC001221039023 1034516247 /nfs/dbraw/zinc/51/62/47/1034516247.db2.gz MXEIMBGSHFYYTK-OAQYLSRUSA-N 1 0 374.529 2.695 20 10 FFCDRO CCN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675951 1034535435 /nfs/dbraw/zinc/53/54/35/1034535435.db2.gz RVPZPPUXVCEQQG-UHFFFAOYSA-N 1 0 370.335 2.669 20 10 FFCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138680530 1034539504 /nfs/dbraw/zinc/53/95/04/1034539504.db2.gz OKPXCGHUEUDWNY-HIFRSBDPSA-N 1 0 369.303 2.631 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000832272643 1034693715 /nfs/dbraw/zinc/69/37/15/1034693715.db2.gz HZELXSYDNGAROU-MRXNPFEDSA-N 1 0 363.408 2.713 20 10 FFCDRO Cc1nc2ccc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2nc1C ZINC000832292569 1034708060 /nfs/dbraw/zinc/70/80/60/1034708060.db2.gz JEFRIIYRXCGNLO-SFHVURJKSA-N 1 0 363.465 2.742 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)c1 ZINC001221413290 1034722614 /nfs/dbraw/zinc/72/26/14/1034722614.db2.gz JQSRPHYXMBCKSG-FQEVSTJZSA-N 1 0 353.466 2.918 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3C[C@H](CO)CC[C@@H]3C(F)(F)F)cc2)CC1 ZINC001139404485 1035091331 /nfs/dbraw/zinc/09/13/31/1035091331.db2.gz JPKVGUIOLJTEFF-SJLPKXTDSA-N 1 0 371.447 2.574 20 10 FFCDRO Cc1cc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)ccc1N(C)C ZINC001139672058 1035194148 /nfs/dbraw/zinc/19/41/48/1035194148.db2.gz SIBGSXHORSJOIL-UHFFFAOYSA-N 1 0 359.514 2.568 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)ccc1N(C)C ZINC001139672019 1035194229 /nfs/dbraw/zinc/19/42/29/1035194229.db2.gz RBYLLWDUWIOLSL-SIKLNZKXSA-N 1 0 369.509 2.987 20 10 FFCDRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(N(C)C)c(C)c4)C[C@@H]32)C1=O ZINC001139671021 1035194300 /nfs/dbraw/zinc/19/43/00/1035194300.db2.gz DLUIOWJYRUZVOX-XQBPLPMBSA-N 1 0 368.525 2.922 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3cc(F)ccc3O)CC2)CN1c1ccccc1 ZINC001140063214 1035327866 /nfs/dbraw/zinc/32/78/66/1035327866.db2.gz MXYIMFZIKVBAHT-UHFFFAOYSA-N 1 0 370.424 2.929 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c1O ZINC001140180410 1035369978 /nfs/dbraw/zinc/36/99/78/1035369978.db2.gz HBCOPNXDWYOTIC-GGPHIMKMSA-N 1 0 354.450 2.986 20 10 FFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4c(C)ccc(C)c4O)C[C@@H]32)N=C1C ZINC001140180583 1035370045 /nfs/dbraw/zinc/37/00/45/1035370045.db2.gz JCTUEBLGSXMEJV-PLMTUMEDSA-N 1 0 355.482 2.870 20 10 FFCDRO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@H]21 ZINC001140180866 1035370784 /nfs/dbraw/zinc/37/07/84/1035370784.db2.gz NNMUDZOESMQRNE-UXHICEINSA-N 1 0 371.481 2.699 20 10 FFCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287782 1035420232 /nfs/dbraw/zinc/42/02/32/1035420232.db2.gz ASYTYFXFMMBZLV-SFHVURJKSA-N 1 0 360.498 2.813 20 10 FFCDRO Oc1cccc(Cl)c1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001140339237 1035443942 /nfs/dbraw/zinc/44/39/42/1035443942.db2.gz GHLQXOPSPBZQIQ-UHFFFAOYSA-N 1 0 357.845 2.893 20 10 FFCDRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465571 1035485341 /nfs/dbraw/zinc/48/53/41/1035485341.db2.gz QIKKLKWCHCZRPM-IEBWSBKVSA-N 1 0 364.873 2.553 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC12COC2 ZINC001140468673 1035486026 /nfs/dbraw/zinc/48/60/26/1035486026.db2.gz TZXHXDDRNNXIBC-OAHLLOKOSA-N 1 0 368.861 2.771 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1)C1CCOCC1 ZINC001140467622 1035486200 /nfs/dbraw/zinc/48/62/00/1035486200.db2.gz ZWBNAPMGNHLMGG-UHFFFAOYSA-N 1 0 352.862 2.553 20 10 FFCDRO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2O)N1Cc1cccnc1 ZINC001140467466 1035486462 /nfs/dbraw/zinc/48/64/62/1035486462.db2.gz QTWLLIIJOFAXKT-IAGOWNOFSA-N 1 0 357.841 2.816 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835026442 1035489883 /nfs/dbraw/zinc/48/98/83/1035489883.db2.gz WKSHRQMRXJYKJB-CLFYSBASSA-N 1 0 372.557 2.642 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835029581 1035490310 /nfs/dbraw/zinc/49/03/10/1035490310.db2.gz XSEJHFVNVWOSMD-ZMGAVLDPSA-N 1 0 359.514 2.629 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1c1ccccc1 ZINC000835069888 1035505401 /nfs/dbraw/zinc/50/54/01/1035505401.db2.gz JPAMEIQYHZBWFR-HZPDHXFCSA-N 1 0 355.390 2.510 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000835081647 1035521642 /nfs/dbraw/zinc/52/16/42/1035521642.db2.gz AVHUWNBGELVELS-SFHVURJKSA-N 1 0 363.502 2.868 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC(F)F)C3=O)C2)c(O)c1 ZINC001277203972 1035523087 /nfs/dbraw/zinc/52/30/87/1035523087.db2.gz AXIKKDHJBVOFNA-LJQANCHMSA-N 1 0 366.408 2.615 20 10 FFCDRO O=C1N(c2cccnc2)CC[C@@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232257538 1035529360 /nfs/dbraw/zinc/52/93/60/1035529360.db2.gz HAKCWVWKVMZXET-LJQANCHMSA-N 1 0 373.840 2.775 20 10 FFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232266283 1035537773 /nfs/dbraw/zinc/53/77/73/1035537773.db2.gz UBCCDSNOWDYJGW-LBPRGKRZSA-N 1 0 350.802 2.808 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1 ZINC001140617251 1035736848 /nfs/dbraw/zinc/73/68/48/1035736848.db2.gz IXHQVSDLZDVHEA-UHFFFAOYSA-N 1 0 351.450 2.629 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)c1 ZINC001140620411 1035745169 /nfs/dbraw/zinc/74/51/69/1035745169.db2.gz NLJWRLJUUFCPIC-FUHWJXTLSA-N 1 0 372.490 2.696 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c1 ZINC001140623947 1035751766 /nfs/dbraw/zinc/75/17/66/1035751766.db2.gz YRJFQBXNQKUCCZ-UHFFFAOYSA-N 1 0 350.422 2.643 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228114634 1035942280 /nfs/dbraw/zinc/94/22/80/1035942280.db2.gz JATRSBZFNYJVTM-HNNXBMFYSA-N 1 0 357.406 2.896 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c1O ZINC001140744120 1036033230 /nfs/dbraw/zinc/03/32/30/1036033230.db2.gz MQXSFIBLDBJNJJ-UHFFFAOYSA-N 1 0 354.454 2.831 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1O ZINC001140744789 1036035725 /nfs/dbraw/zinc/03/57/25/1036035725.db2.gz LTXRHFYPAUQPJZ-INIZCTEOSA-N 1 0 357.454 2.661 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(C)(C)O)nc1 ZINC001232829873 1036080075 /nfs/dbraw/zinc/08/00/75/1036080075.db2.gz QOAJGPUNFNFJLJ-UHFFFAOYSA-N 1 0 355.482 2.778 20 10 FFCDRO CC(C)OCc1ncn2c1C[N@H+](Cc1ccc(N(C)C)cc1O)CCC2 ZINC001232838140 1036093888 /nfs/dbraw/zinc/09/38/88/1036093888.db2.gz PWBLAVDCFYTUMD-UHFFFAOYSA-N 1 0 358.486 2.986 20 10 FFCDRO CCN(CC[NH+]1CCCC1)Cc1ccc(I)cc1O ZINC001232978437 1036209254 /nfs/dbraw/zinc/20/92/54/1036209254.db2.gz HLPLYWXDWUHYBS-UHFFFAOYSA-N 1 0 374.266 2.915 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@H+](Cc3c(C)cccc3O)CC2)C1=O ZINC001277317410 1036220996 /nfs/dbraw/zinc/22/09/96/1036220996.db2.gz BCFMUNYCXLJWJX-OAQYLSRUSA-N 1 0 360.498 2.942 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)CN1c1ccc(F)cc1 ZINC001233013624 1036249453 /nfs/dbraw/zinc/24/94/53/1036249453.db2.gz ZICCWVBJEVGRPN-HXUWFJFHSA-N 1 0 372.396 2.572 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC001233110917 1036354802 /nfs/dbraw/zinc/35/48/02/1036354802.db2.gz VQQQOIZOITXCMX-GFCCVEGCSA-N 1 0 355.276 2.763 20 10 FFCDRO Cc1cc(Br)cc(CN2CCN(CCC[NH+](C)C)CC2)c1O ZINC001233109855 1036356236 /nfs/dbraw/zinc/35/62/36/1036356236.db2.gz IKGUNYOIGUVPCN-UHFFFAOYSA-N 1 0 370.335 2.532 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)cc1Br ZINC001233140786 1036387241 /nfs/dbraw/zinc/38/72/41/1036387241.db2.gz TZXGBCPEVSDSFG-RISCZKNCSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1Br ZINC001233139618 1036388594 /nfs/dbraw/zinc/38/85/94/1036388594.db2.gz MMPXZKMSPWLAEL-CYBMUJFWSA-N 1 0 355.276 2.833 20 10 FFCDRO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233195389 1036433072 /nfs/dbraw/zinc/43/30/72/1036433072.db2.gz HAXLEOOTOAFOJA-LLVKDONJSA-N 1 0 363.255 2.970 20 10 FFCDRO CCOC(=O)c1c(CN2C[C@H]3C[NH+](CC)C[C@@H]3C2)c2ccccc2n1C ZINC001233273764 1036480470 /nfs/dbraw/zinc/48/04/70/1036480470.db2.gz QZSVVFIPVMXUAG-HZPDHXFCSA-N 1 0 355.482 2.739 20 10 FFCDRO 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354.397 2.541 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CCO[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC001234568861 1037092977 /nfs/dbraw/zinc/09/29/77/1037092977.db2.gz FZXLUFCEIOXZLW-GOSISDBHSA-N 1 0 356.466 2.851 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3Cc4ccnn4CC[C@H]3CO)c2c1 ZINC001234570065 1037093710 /nfs/dbraw/zinc/09/37/10/1037093710.db2.gz WURFRDIIAIIJJK-INIZCTEOSA-N 1 0 353.422 2.517 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001235057741 1037330130 /nfs/dbraw/zinc/33/01/30/1037330130.db2.gz RUQPULJYQDBYTR-AWEZNQCLSA-N 1 0 350.203 2.980 20 10 FFCDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001207510170 1037505772 /nfs/dbraw/zinc/50/57/72/1037505772.db2.gz QQQLBCIYEUEODN-UHFFFAOYSA-N 1 0 363.479 2.835 20 10 FFCDRO CC(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001277943973 1037539795 /nfs/dbraw/zinc/53/97/95/1037539795.db2.gz FNOFORVGGUHPTB-GOSISDBHSA-N 1 0 359.514 2.833 20 10 FFCDRO O=C1NCC[C@]12CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC001231467121 1037614900 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10 FFCDRO Cc1cc(C)c(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c(O)c1 ZINC001231845001 1037942469 /nfs/dbraw/zinc/94/24/69/1037942469.db2.gz RUFCGLQICDYSFS-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c(O)c1 ZINC001231844879 1037943458 /nfs/dbraw/zinc/94/34/58/1037943458.db2.gz PLLBQRZQLGNECW-NRFANRHFSA-N 1 0 360.498 2.858 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)O3)c(O)c1 ZINC001231844589 1037944277 /nfs/dbraw/zinc/94/42/77/1037944277.db2.gz NBCCUNQZZBUXNA-IYBDPMFKSA-N 1 0 362.470 2.829 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001231854224 1037950819 /nfs/dbraw/zinc/95/08/19/1037950819.db2.gz BKLWUXOKWVSDRM-UHFFFAOYSA-N 1 0 361.530 2.836 20 10 FFCDRO C[NH+](C)CCCn1cc(-c2ccn(Cc3ccccc3F)c(=O)c2)cn1 ZINC001236156752 1037954478 /nfs/dbraw/zinc/95/44/78/1037954478.db2.gz HBLRZXGYVHWYJJ-UHFFFAOYSA-N 1 0 354.429 2.851 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2nccc(C)n2)CC1 ZINC001231858096 1037956803 /nfs/dbraw/zinc/95/68/03/1037956803.db2.gz SDMMSSXIRWAHFA-UHFFFAOYSA-N 1 0 356.470 2.903 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231870131 1037966109 /nfs/dbraw/zinc/96/61/09/1037966109.db2.gz KXQJOYYNUYQOMY-UHFFFAOYSA-N 1 0 363.845 2.786 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236223227 1037994289 /nfs/dbraw/zinc/99/42/89/1037994289.db2.gz PDDZWDMFGRJRKT-AWEZNQCLSA-N 1 0 372.250 2.713 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001276554052 1038026226 /nfs/dbraw/zinc/02/62/26/1038026226.db2.gz ZQVPOOASPMLDRU-VLIAUNLRSA-N 1 0 362.470 2.807 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)c(OC)c1 ZINC001231975217 1038072721 /nfs/dbraw/zinc/07/27/21/1038072721.db2.gz HLJAODRKWDLTGH-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO COCCC[NH+]1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC001236666751 1038180642 /nfs/dbraw/zinc/18/06/42/1038180642.db2.gz VKBZPTMHXOCRBM-UHFFFAOYSA-N 1 0 357.292 2.617 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)cc1Br ZINC001236748141 1038233335 /nfs/dbraw/zinc/23/33/35/1038233335.db2.gz LLESNVYUMVEMQP-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC001236751034 1038236047 /nfs/dbraw/zinc/23/60/47/1038236047.db2.gz BIGNNOCHYHQIFN-HNNXBMFYSA-N 1 0 374.437 2.856 20 10 FFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC001236756374 1038242046 /nfs/dbraw/zinc/24/20/46/1038242046.db2.gz VOJKNQGAZREUEM-MRXNPFEDSA-N 1 0 365.470 2.675 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)cc1OC ZINC001236756150 1038242273 /nfs/dbraw/zinc/24/22/73/1038242273.db2.gz JSQLQWFOFZESDY-HXUWFJFHSA-N 1 0 362.470 2.632 20 10 FFCDRO C[C@]1(CO)C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1O ZINC001236778516 1038264166 /nfs/dbraw/zinc/26/41/66/1038264166.db2.gz ICIKZHNSPFLWPL-NHCUHLMSSA-N 1 0 357.450 2.536 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(O)c1 ZINC001236809217 1038283326 /nfs/dbraw/zinc/28/33/26/1038283326.db2.gz FQTYFEPJSYKVRJ-WMLDXEAASA-N 1 0 356.422 2.649 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c(O)c1 ZINC001236811272 1038285295 /nfs/dbraw/zinc/28/52/95/1038285295.db2.gz NDQFQEOZIYPEAS-UHFFFAOYSA-N 1 0 367.453 2.556 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236819606 1038290445 /nfs/dbraw/zinc/29/04/45/1038290445.db2.gz XKXQLVVKAQECBX-AWEZNQCLSA-N 1 0 370.877 2.514 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc4ccccc4cc3O)CC[C@H]21 ZINC001236830224 1038295172 /nfs/dbraw/zinc/29/51/72/1038295172.db2.gz NUJWLXJBTDINBU-CTNGQTDRSA-N 1 0 354.450 2.757 20 10 FFCDRO COc1cc(C)nc(N2CC[NH+](Cc3cc4ccccc4cc3O)CC2)n1 ZINC001236835755 1038300085 /nfs/dbraw/zinc/30/00/85/1038300085.db2.gz QVLAJGDMGAFPKH-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO COC(=O)c1c(CN2Cc3ccccc3C[C@H]2C[NH3+])c2ccccc2n1C ZINC001237027529 1038410318 /nfs/dbraw/zinc/41/03/18/1038410318.db2.gz ICJBCGNDRAKDSX-KRWDZBQOSA-N 1 0 363.461 2.851 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c(O)c1 ZINC001237046575 1038421624 /nfs/dbraw/zinc/42/16/24/1038421624.db2.gz FDISQHDRSAEHGW-UHFFFAOYSA-N 1 0 355.438 2.580 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)c(O)c1 ZINC001237051135 1038424412 /nfs/dbraw/zinc/42/44/12/1038424412.db2.gz HSPJTPMGLNOKPT-SFHVURJKSA-N 1 0 361.486 2.522 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1 ZINC001237055364 1038425436 /nfs/dbraw/zinc/42/54/36/1038425436.db2.gz MZXCLERIBGDTBM-DLBZAZTESA-N 1 0 364.486 2.976 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001237063420 1038429744 /nfs/dbraw/zinc/42/97/44/1038429744.db2.gz QDCWEZKXUIZNQY-CQSZACIVSA-N 1 0 369.343 2.777 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237063430 1038429965 /nfs/dbraw/zinc/42/99/65/1038429965.db2.gz QFKSORXLUAISAU-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC001237070346 1038433169 /nfs/dbraw/zinc/43/31/69/1038433169.db2.gz MHBWTMLAVIFKTB-MRXNPFEDSA-N 1 0 355.276 2.691 20 10 FFCDRO CN1CC[NH+](C2CCN(Cc3c(O)cccc3OC(F)(F)F)CC2)CC1 ZINC001237111989 1038446315 /nfs/dbraw/zinc/44/63/15/1038446315.db2.gz XIDKTWORJOJOKI-UHFFFAOYSA-N 1 0 373.419 2.503 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001208963263 1038609292 /nfs/dbraw/zinc/60/92/92/1038609292.db2.gz BCTBUEYYAYZQLM-INIZCTEOSA-N 1 0 355.482 2.804 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCN(C(=O)CCc2ccc[nH]2)C3)c1 ZINC001278615308 1038817070 /nfs/dbraw/zinc/81/70/70/1038817070.db2.gz OLBSSKSIQCDGGI-UHFFFAOYSA-N 1 0 353.466 2.696 20 10 FFCDRO Cc1cc(CN2CC3(C2)CCC[N@H+](Cc2cc(C)ccc2O)C3)n(C)n1 ZINC001278616913 1038841014 /nfs/dbraw/zinc/84/10/14/1038841014.db2.gz JOFWOBWOXZJZME-UHFFFAOYSA-N 1 0 354.498 2.841 20 10 FFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C[C@H]1C(=O)OC ZINC001257729521 1038945728 /nfs/dbraw/zinc/94/57/28/1038945728.db2.gz JSZBWEXWWHUPID-OXXUSNJHSA-N 1 0 362.470 2.534 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246534814 1039386970 /nfs/dbraw/zinc/38/69/70/1039386970.db2.gz YZWNOSJILKHPDQ-URLQWDBASA-N 1 0 360.498 2.906 20 10 FFCDRO CC[NH+](CC)C[C@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001253173391 1040022587 /nfs/dbraw/zinc/02/25/87/1040022587.db2.gz CPSBDVRNFIMLMY-CQSZACIVSA-N 1 0 352.434 2.577 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CO[C@@H]4C[NH2+]C[C@H]34)n2)cc1 ZINC001247898947 1040030619 /nfs/dbraw/zinc/03/06/19/1040030619.db2.gz ZQKUXEDYIHLMGQ-FGTMMUONSA-N 1 0 350.422 2.846 20 10 FFCDRO Cc1cc(C)cc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001259522585 1040087833 /nfs/dbraw/zinc/08/78/33/1040087833.db2.gz PBWOSKVXLWCUEO-UHFFFAOYSA-N 1 0 359.495 2.856 20 10 FFCDRO O=C(Cc1ccsc1)N1CC2(C1)CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001278745830 1040435208 /nfs/dbraw/zinc/43/52/08/1040435208.db2.gz HXPGGZXWROLWQJ-UHFFFAOYSA-N 1 0 372.490 2.826 20 10 FFCDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC3(CNC(=O)N3)CC2)cc1Cl ZINC001248885420 1040493643 /nfs/dbraw/zinc/49/36/43/1040493643.db2.gz WGPQGXJFEJKDRP-UHFFFAOYSA-N 1 0 351.878 2.991 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)c(O)c1 ZINC001249201111 1040624637 /nfs/dbraw/zinc/62/46/37/1040624637.db2.gz GBICRFOMULISGK-LJQANCHMSA-N 1 0 355.434 2.899 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c(O)c1 ZINC001249726254 1040964898 /nfs/dbraw/zinc/96/48/98/1040964898.db2.gz ZBTYVKDCNSAGOT-OAHLLOKOSA-N 1 0 363.454 2.915 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)c1 ZINC001249735269 1040969249 /nfs/dbraw/zinc/96/92/49/1040969249.db2.gz HUALDSNUSQFZJL-UHFFFAOYSA-N 1 0 364.486 2.640 20 10 FFCDRO COC(=O)c1cccc(O)c1Nc1cc[nH+]cc1CNC(=O)OC(C)(C)C ZINC001249824098 1041023196 /nfs/dbraw/zinc/02/31/96/1041023196.db2.gz OIKBABQBCBIABO-UHFFFAOYSA-N 1 0 373.409 2.764 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254921647 1041049239 /nfs/dbraw/zinc/04/92/39/1041049239.db2.gz DYMUYQINFYWTPK-BWTSREIZSA-N 1 0 371.525 2.555 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)cc2F)CC1 ZINC001261245687 1041097041 /nfs/dbraw/zinc/09/70/41/1041097041.db2.gz LOPDRJLSQTWBBC-OAQYLSRUSA-N 1 0 373.516 2.969 20 10 FFCDRO Cc1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2O)C3)n(C)n1 ZINC001278551869 1041116576 /nfs/dbraw/zinc/11/65/76/1041116576.db2.gz NWYLBNJXTBBTRG-OAQYLSRUSA-N 1 0 354.498 2.922 20 10 FFCDRO Cc1cc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(O)cc1Br ZINC001250136228 1041126469 /nfs/dbraw/zinc/12/64/69/1041126469.db2.gz OPTPMYRDCYLVKM-HNNXBMFYSA-N 1 0 369.303 2.760 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c(O)cc1Br ZINC001250135973 1041126637 /nfs/dbraw/zinc/12/66/37/1041126637.db2.gz MECCCUFOXQOFGD-ZDUSSCGKSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(Cl)ccc2O)n(C)n1 ZINC001278568996 1041207056 /nfs/dbraw/zinc/20/70/56/1041207056.db2.gz MQABMRYTQBSYAF-ROUUACIJSA-N 1 0 360.889 2.936 20 10 FFCDRO CC(C)C[N@H+](C)CCCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261513340 1041286347 /nfs/dbraw/zinc/28/63/47/1041286347.db2.gz RMINBCJHURMPRP-UHFFFAOYSA-N 1 0 350.526 2.645 20 10 FFCDRO Oc1cc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc(O)c1O ZINC001255388327 1041312850 /nfs/dbraw/zinc/31/28/50/1041312850.db2.gz WKYNSZTXOCSWPV-ZDUSSCGKSA-N 1 0 353.378 2.843 20 10 FFCDRO [NH3+]C1CC(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001263102442 1042105430 /nfs/dbraw/zinc/10/54/30/1042105430.db2.gz VJKHIFQFWYVXJH-JXQTWKCFSA-N 1 0 353.413 2.500 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCCn3cccn3)C[C@H]2C)cc1C ZINC001216783484 1042120347 /nfs/dbraw/zinc/12/03/47/1042120347.db2.gz MXYWXIFHWAPFPP-IEBWSBKVSA-N 1 0 370.497 2.617 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001279150441 1042921096 /nfs/dbraw/zinc/92/10/96/1042921096.db2.gz YWYXMUYKZWYLPT-NRFANRHFSA-N 1 0 353.514 2.964 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2OCCN(CCCC(F)(F)F)[C@H]2C1 ZINC001279197703 1042941664 /nfs/dbraw/zinc/94/16/64/1042941664.db2.gz XVTWSWUOKPUCDR-HOCLYGCPSA-N 1 0 362.367 2.759 20 10 FFCDRO COCCOCN1CCCC2(CC[NH+](Cc3cccc(C)c3O)CC2)C1 ZINC001279289957 1042985336 /nfs/dbraw/zinc/98/53/36/1042985336.db2.gz CMYYHIBHRMZRQP-UHFFFAOYSA-N 1 0 362.514 2.999 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1O ZINC001279290170 1042985578 /nfs/dbraw/zinc/98/55/78/1042985578.db2.gz HXKUFOOPVJTYEN-IYBDPMFKSA-N 1 0 358.404 2.928 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CN(Cc4ccc[nH]4)CCO3)C2)c1O ZINC001279290487 1042985787 /nfs/dbraw/zinc/98/57/87/1042985787.db2.gz PPHHDZBPOMOQTM-OAQYLSRUSA-N 1 0 355.482 2.896 20 10 FFCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)c(Cl)c1 ZINC001279333686 1043007657 /nfs/dbraw/zinc/00/76/57/1043007657.db2.gz KSWWYPFKQZRGKA-KDURUIRLSA-N 1 0 373.932 2.951 20 10 FFCDRO Oc1c(I)cccc1CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001237230430 1043066429 /nfs/dbraw/zinc/06/64/29/1043066429.db2.gz SLXVIILLJDJPBZ-CQSZACIVSA-N 1 0 370.234 2.838 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001279441399 1043115807 /nfs/dbraw/zinc/11/58/07/1043115807.db2.gz BABPSRZBOSZGCU-IBGZPJMESA-N 1 0 351.922 2.895 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(Br)c1 ZINC001237410447 1043147486 /nfs/dbraw/zinc/14/74/86/1043147486.db2.gz DBVZBHZSATYGBZ-ABAIWWIYSA-N 1 0 355.276 2.737 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237432175 1043158153 /nfs/dbraw/zinc/15/81/53/1043158153.db2.gz UIQPYTZCZGPPOC-GFCCVEGCSA-N 1 0 373.280 2.674 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(C)cc(OC)cc2O)c1 ZINC001237456720 1043177161 /nfs/dbraw/zinc/17/71/61/1043177161.db2.gz UNXTUYHLQONNKZ-LJQANCHMSA-N 1 0 370.449 2.642 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1CC[C@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC001237486138 1043198792 /nfs/dbraw/zinc/19/87/92/1043198792.db2.gz OKRXZKZIPFFJEN-QFIPXVFZSA-N 1 0 365.477 2.624 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@@H]3C[N@H+](Cc4c(C)cccc4O)CCN3C2)n1 ZINC001237486099 1043198865 /nfs/dbraw/zinc/19/88/65/1043198865.db2.gz NWVTZMJFNIJOMX-UXHICEINSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001237490223 1043205256 /nfs/dbraw/zinc/20/52/56/1043205256.db2.gz SJTDXGYRVSUZJV-FQEVSTJZSA-N 1 0 352.438 2.510 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC001237493534 1043206995 /nfs/dbraw/zinc/20/69/95/1043206995.db2.gz ZLUYQPQCDMCCIT-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(O)c(OC)c1 ZINC001237673673 1043303983 /nfs/dbraw/zinc/30/39/83/1043303983.db2.gz MDXSQRNCEUTSRQ-HXUWFJFHSA-N 1 0 354.406 2.505 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@@H]1c1ccccc1 ZINC001237677802 1043304831 /nfs/dbraw/zinc/30/48/31/1043304831.db2.gz OPIWCOKRFHASRH-MSOLQXFVSA-N 1 0 371.433 2.798 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c(O)c(OC)c1 ZINC001237686383 1043312491 /nfs/dbraw/zinc/31/24/91/1043312491.db2.gz YLHXFOLITBHNJC-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001237744761 1043335528 /nfs/dbraw/zinc/33/55/28/1043335528.db2.gz FNYNTANLKRLGSX-UHFFFAOYSA-N 1 0 365.886 2.859 20 10 FFCDRO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc(Cl)cc1 ZINC001237744628 1043335817 /nfs/dbraw/zinc/33/58/17/1043335817.db2.gz DLZMWTWYHJRXMC-UHFFFAOYSA-N 1 0 351.859 2.550 20 10 FFCDRO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc(F)c(Cl)c1 ZINC001237747063 1043337188 /nfs/dbraw/zinc/33/71/88/1043337188.db2.gz XSGMUTHOCMIYBQ-UHFFFAOYSA-N 1 0 369.849 2.690 20 10 FFCDRO COCC1CC[NH+](Cc2cccc(I)c2[O-])CC1 ZINC001237787504 1043358338 /nfs/dbraw/zinc/35/83/38/1043358338.db2.gz SXUIWRDOKZVQOO-UHFFFAOYSA-N 1 0 361.223 2.855 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)c(O)c1 ZINC001279664045 1043425394 /nfs/dbraw/zinc/42/53/94/1043425394.db2.gz OYVNJQWXHWQVFQ-UHFFFAOYSA-N 1 0 356.491 2.903 20 10 FFCDRO c1n[nH]cc1C[N@H+]1CC[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@H]2CC1 ZINC001279764673 1043607051 /nfs/dbraw/zinc/60/70/51/1043607051.db2.gz GAFZQTYSPCNWMY-CALCHBBNSA-N 1 0 354.454 2.529 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CC(=O)[O-])Cc3ccccc3)cc2)CC1 ZINC000756383738 1043608145 /nfs/dbraw/zinc/60/81/45/1043608145.db2.gz NFVYLZYFQCOJTQ-HXUWFJFHSA-N 1 0 367.493 2.614 20 10 FFCDRO O=S(=O)(N[C@@H]1C[C@@H]2C[NH2+]C[C@H]12)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238504308 1043750013 /nfs/dbraw/zinc/75/00/13/1043750013.db2.gz KYVBNKGKXHXQTO-DUGFQTKWSA-N 1 0 356.451 2.988 20 10 FFCDRO COC(=O)Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c(O)c1 ZINC001279955792 1043980642 /nfs/dbraw/zinc/98/06/42/1043980642.db2.gz JVRFXFIUCHGEQT-KDURUIRLSA-N 1 0 358.482 2.699 20 10 FFCDRO Cn1ccnc1NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001279968477 1044001011 /nfs/dbraw/zinc/00/10/11/1044001011.db2.gz KTMMOJFWEHAVAA-UZLBHIALSA-N 1 0 354.454 2.757 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)c1O ZINC001279980828 1044027656 /nfs/dbraw/zinc/02/76/56/1044027656.db2.gz DWLWYKSPQORPTC-FVCICTRLSA-N 1 0 368.424 2.630 20 10 FFCDRO CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001279982291 1044032057 /nfs/dbraw/zinc/03/20/57/1044032057.db2.gz CQOIKEFWZQNZIU-SJKOYZFVSA-N 1 0 367.287 2.891 20 10 FFCDRO CC(C)(C)NC(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2O1 ZINC001279982578 1044032372 /nfs/dbraw/zinc/03/23/72/1044032372.db2.gz TZLATMVAQSWIIB-KMFMINBZSA-N 1 0 366.889 2.940 20 10 FFCDRO O=C([C@@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2)N1CC(F)(C2CC2)C1 ZINC001279983076 1044033120 /nfs/dbraw/zinc/03/31/20/1044033120.db2.gz DQQXEDGSRORCOU-HNNXBMFYSA-N 1 0 364.848 2.828 20 10 FFCDRO CN(Cc1ncccn1)C(=O)C12CC([NH2+]Cc3cc(Cl)ccc3O)(C1)C2 ZINC001279983729 1044036785 /nfs/dbraw/zinc/03/67/85/1044036785.db2.gz PTPBRPWCACYROO-UHFFFAOYSA-N 1 0 372.856 2.507 20 10 FFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)cc(C)c2O)n(C)n1 ZINC001280027531 1044101134 /nfs/dbraw/zinc/10/11/34/1044101134.db2.gz DCLAXQWRPCGJQZ-HDICACEKSA-N 1 0 358.461 2.730 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)Nc2ccc(O)cc2O)c(O)c1 ZINC001280046959 1044134470 /nfs/dbraw/zinc/13/44/70/1044134470.db2.gz SZJQWXJRGQVHMR-VLIAUNLRSA-N 1 0 354.406 2.715 20 10 FFCDRO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(O)cc(OC)cc1OC)C(C)C ZINC001280059382 1044149475 /nfs/dbraw/zinc/14/94/75/1044149475.db2.gz VZDRSLGTOCPQPG-VBKZILBWSA-N 1 0 362.470 2.631 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001280080493 1044181069 /nfs/dbraw/zinc/18/10/69/1044181069.db2.gz FRSQMACRGQPUCL-DYESRHJHSA-N 1 0 357.498 2.596 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@H]2CCCS2)[NH+](C)C)cc1 ZINC001313085413 1044227931 /nfs/dbraw/zinc/22/79/31/1044227931.db2.gz JVXTUYOHWHFMTD-QZTJIDSGSA-N 1 0 364.559 2.940 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001280294629 1044563414 /nfs/dbraw/zinc/56/34/14/1044563414.db2.gz VNPUGUYREBZMDL-XLIONFOSSA-N 1 0 364.461 2.628 20 10 FFCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1ccnc1 ZINC001319493751 1045172123 /nfs/dbraw/zinc/17/21/23/1045172123.db2.gz JFWFIBSLPMYWOY-CJNGLKHVSA-N 1 0 362.861 2.584 20 10 FFCDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CCN(C)CC3)c(F)c1)CCOCC2 ZINC001326339019 1046882845 /nfs/dbraw/zinc/88/28/45/1046882845.db2.gz OBJDSCVCVLFJSS-KRWDZBQOSA-N 1 0 361.505 2.969 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000730806031 1047203207 /nfs/dbraw/zinc/20/32/07/1047203207.db2.gz GQQIINVZYWIHJH-BVBGJJFLSA-N 1 0 359.426 2.846 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000734508810 1047816073 /nfs/dbraw/zinc/81/60/73/1047816073.db2.gz JKAWUGGWWIXGMC-QGZVFWFLSA-N 1 0 363.458 2.870 20 10 FFCDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1c1ccc(F)cc1 ZINC001327478830 1047915117 /nfs/dbraw/zinc/91/51/17/1047915117.db2.gz FHWZBUBBCXXNAK-RTBURBONSA-N 1 0 356.445 2.695 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccc1 ZINC001327953840 1048108344 /nfs/dbraw/zinc/10/83/44/1048108344.db2.gz ZQDASTJSCQIFBG-FQEVSTJZSA-N 1 0 371.500 2.925 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cc4cc[nH]c4cn3)cc2)CC1 ZINC001331836043 1048135400 /nfs/dbraw/zinc/13/54/00/1048135400.db2.gz FXILJIXNUUVQRV-UHFFFAOYSA-N 1 0 364.453 2.636 20 10 FFCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328086416 1048171021 /nfs/dbraw/zinc/17/10/21/1048171021.db2.gz SDVBVVKEEJTOSJ-VGSWGCGISA-N 1 0 371.500 2.832 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H](C)C[C@@H]3n3cncn3)C2)cc1 ZINC001328097557 1048175876 /nfs/dbraw/zinc/17/58/76/1048175876.db2.gz LYDSGWNUTICYCS-FEHORTKBSA-N 1 0 355.486 2.885 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)C[C@](C)(O)c3ccccc3)cc2F)CC1 ZINC001332002239 1048204098 /nfs/dbraw/zinc/20/40/98/1048204098.db2.gz CKBYDHGIIKDDDE-QFIPXVFZSA-N 1 0 371.500 2.917 20 10 FFCDRO COCC[N@H+](C)CCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001290851252 1048448114 /nfs/dbraw/zinc/44/81/14/1048448114.db2.gz DEGDUANXDPYGMH-UHFFFAOYSA-N 1 0 371.481 2.605 20 10 FFCDRO COC(=O)[C@](C)(NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001333368566 1048863677 /nfs/dbraw/zinc/86/36/77/1048863677.db2.gz HZPYZQGQXDUOCL-JOCHJYFZSA-N 1 0 367.493 2.616 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001333634831 1049020013 /nfs/dbraw/zinc/02/00/13/1049020013.db2.gz LBYANDMTRAINKC-MRXNPFEDSA-N 1 0 368.472 2.919 20 10 FFCDRO Cc1ncc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC001333748218 1049100696 /nfs/dbraw/zinc/10/06/96/1049100696.db2.gz OURUSGSSRHPNOA-QGZVFWFLSA-N 1 0 361.515 2.620 20 10 FFCDRO Cc1cc(C)c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001333781365 1049115286 /nfs/dbraw/zinc/11/52/86/1049115286.db2.gz WCBLQPVSDYGQKP-HXUWFJFHSA-N 1 0 369.513 2.867 20 10 FFCDRO Cn1nccc1[C@]1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC001331080823 1049465328 /nfs/dbraw/zinc/46/53/28/1049465328.db2.gz QGOFURINFCOQFA-WGMWDUQUSA-N 1 0 353.466 2.629 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001295275069 1049912678 /nfs/dbraw/zinc/91/26/78/1049912678.db2.gz DWXFNNAPEOHPJC-HKUYNNGSSA-N 1 0 359.514 2.854 20 10 FFCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCCCC1 ZINC001341571309 1050198412 /nfs/dbraw/zinc/19/84/12/1050198412.db2.gz OYEDGRNGLDCSHG-OAQYLSRUSA-N 1 0 373.541 2.809 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cc3n(n2)CCC[C@H]3[NH3+])cc1F ZINC001341606104 1050232067 /nfs/dbraw/zinc/23/20/67/1050232067.db2.gz ZHOVLHFEQWMBEY-OAHLLOKOSA-N 1 0 359.449 2.592 20 10 FFCDRO C[NH+](C)CCc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC001542180749 1071184030 /nfs/dbraw/zinc/18/40/30/1071184030.db2.gz XTPCXDCOSPEPPS-UHFFFAOYSA-N 1 0 353.466 2.880 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]ccc3n2)[NH+](C)C)cc1 ZINC001304768054 1051690546 /nfs/dbraw/zinc/69/05/46/1051690546.db2.gz KQAWNESTRWTCPG-LJQANCHMSA-N 1 0 351.454 2.662 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)NCC3)[NH+](C)C)cc1 ZINC001343165614 1051789953 /nfs/dbraw/zinc/78/99/53/1051789953.db2.gz JEJWINIWDXWPHK-NRFANRHFSA-N 1 0 366.509 2.682 20 10 FFCDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N3CCN(C)CC3)c(F)c1)C2 ZINC001343504855 1052272204 /nfs/dbraw/zinc/27/22/04/1052272204.db2.gz ZLCXRPLZVQOXBU-IBGZPJMESA-N 1 0 369.484 2.979 20 10 FFCDRO CCOCc1cc(C[NH2+]CC(=O)N(C)Cc2ccccc2)ccc1OC ZINC001308210102 1052432119 /nfs/dbraw/zinc/43/21/19/1052432119.db2.gz WODMZHZRVZSWEN-UHFFFAOYSA-N 1 0 356.466 2.980 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC001308284413 1052441690 /nfs/dbraw/zinc/44/16/90/1052441690.db2.gz BJNLHYAZRBZEDC-SFHVURJKSA-N 1 0 355.486 2.552 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc(C(=O)NC4CC4)c3)cc2)CC1 ZINC001308354893 1052449978 /nfs/dbraw/zinc/44/99/78/1052449978.db2.gz SNICQBDVSUNNAN-UHFFFAOYSA-N 1 0 364.493 2.943 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCCC(=O)OC(C)(C)C)cc2F)CC1 ZINC001345918652 1052669926 /nfs/dbraw/zinc/66/99/26/1052669926.db2.gz IFAVMWQKNUEIOB-UHFFFAOYSA-N 1 0 365.493 2.789 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCN(CC(F)F)CC2)N(C)C)cc1 ZINC001335584354 1053449560 /nfs/dbraw/zinc/44/95/60/1053449560.db2.gz WOSPUYRLZAKXIJ-GOSISDBHSA-N 1 0 354.489 2.674 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)NC3CC4(CC([NH3+])C4)C3)cc2)CC1 ZINC001336811929 1054248096 /nfs/dbraw/zinc/24/80/96/1054248096.db2.gz SMULWUBPPRYIMI-UHFFFAOYSA-N 1 0 356.514 2.992 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)ccc21 ZINC001351974570 1055094904 /nfs/dbraw/zinc/09/49/04/1055094904.db2.gz AFPOIHYOBZYCOW-UFYCRDLUSA-N 1 0 370.541 2.941 20 10 FFCDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001543691946 1071526291 /nfs/dbraw/zinc/52/62/91/1071526291.db2.gz OKPSRDQTGFUPHE-OAHLLOKOSA-N 1 0 354.450 2.982 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)c1O ZINC000848919789 1055365704 /nfs/dbraw/zinc/36/57/04/1055365704.db2.gz SDDKLOROHDJSRR-KRWDZBQOSA-N 1 0 374.456 2.797 20 10 FFCDRO Cc1cnc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000848925078 1055378451 /nfs/dbraw/zinc/37/84/51/1055378451.db2.gz MMNUKCHEIIMWLK-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCNc3ccccc32)cc1 ZINC001338368203 1055451944 /nfs/dbraw/zinc/45/19/44/1055451944.db2.gz FKHKIHCOHCLRJG-VQIMIIECSA-N 1 0 352.482 2.858 20 10 FFCDRO [NH2+]=C(NCCc1cccs1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000849069170 1055626593 /nfs/dbraw/zinc/62/65/93/1055626593.db2.gz RXMITGDYSPMKTJ-UHFFFAOYSA-N 1 0 372.538 2.813 20 10 FFCDRO CN1CCCc2cc(CNC(=O)C[N@H+](C)CCc3ccccc3)ccc21 ZINC001544165308 1071606509 /nfs/dbraw/zinc/60/65/09/1071606509.db2.gz WSXWTWNQGRZDQZ-UHFFFAOYSA-N 1 0 351.494 2.860 20 10 FFCDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC001353195016 1056173922 /nfs/dbraw/zinc/17/39/22/1056173922.db2.gz CVDGCWJZZQVPII-MGPUTAFESA-N 1 0 354.450 2.697 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC001351511022 1056300845 /nfs/dbraw/zinc/30/08/45/1056300845.db2.gz KDTADGIKIPXNHV-LRDDRELGSA-N 1 0 370.287 2.812 20 10 FFCDRO COc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1OC ZINC000849350396 1056837047 /nfs/dbraw/zinc/83/70/47/1056837047.db2.gz YJBOAJCBAHYZHC-IAGOWNOFSA-N 1 0 360.429 2.784 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001544998935 1071720931 /nfs/dbraw/zinc/72/09/31/1071720931.db2.gz XVJMYHWBUFNJED-YJBOKZPZSA-N 1 0 354.450 2.667 20 10 FFCDRO Cc1cc(CC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C)n1-c1ccccc1 ZINC001451750966 1059140992 /nfs/dbraw/zinc/14/09/92/1059140992.db2.gz WLYPIFSEFYANMU-ZWKOTPCHSA-N 1 0 369.509 2.550 20 10 FFCDRO Cn1cc(Cl)c(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC001515137626 1059376934 /nfs/dbraw/zinc/37/69/34/1059376934.db2.gz DRNBFCXNRDEAQT-WUXMJOGZSA-N 1 0 372.947 2.863 20 10 FFCDRO Cc1cc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)c(C)n1-c1ccc(F)cc1 ZINC001355170724 1059955225 /nfs/dbraw/zinc/95/52/25/1059955225.db2.gz SNQXQPRZYVYEKH-UHFFFAOYSA-N 1 0 371.456 2.828 20 10 FFCDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 ZINC001461088639 1061207785 /nfs/dbraw/zinc/20/77/85/1061207785.db2.gz ZAJHDBKIRFGHKS-QWFCFKBJSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC001461405010 1061311814 /nfs/dbraw/zinc/31/18/14/1061311814.db2.gz HVPWMADWOHTSGP-KRWDZBQOSA-N 1 0 372.440 2.764 20 10 FFCDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001461829544 1061419672 /nfs/dbraw/zinc/41/96/72/1061419672.db2.gz LIMGIOKBHAPXTP-INIZCTEOSA-N 1 0 370.419 2.945 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H](C2CC2)C(F)(F)F)[NH+](C)C)cc1 ZINC001476709931 1061464098 /nfs/dbraw/zinc/46/40/98/1061464098.db2.gz KGLHCVWMEKMYQO-JKSUJKDBSA-N 1 0 372.435 2.995 20 10 FFCDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001462058415 1061490829 /nfs/dbraw/zinc/49/08/29/1061490829.db2.gz HVPOJTKMAXSOLL-FQEVSTJZSA-N 1 0 364.493 2.753 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(C(C)C)ccc3O)CC2)nn1 ZINC001462064853 1061492633 /nfs/dbraw/zinc/49/26/33/1061492633.db2.gz NJRUOWFDWZIESS-UHFFFAOYSA-N 1 0 358.442 2.731 20 10 FFCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765797759 1061583587 /nfs/dbraw/zinc/58/35/87/1061583587.db2.gz RSWUTKQUDUNMAI-JKSUJKDBSA-N 1 0 360.458 2.589 20 10 FFCDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC001462508761 1061651218 /nfs/dbraw/zinc/65/12/18/1061651218.db2.gz PRVLOSORVBGVFG-FQEVSTJZSA-N 1 0 365.470 2.889 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000766928127 1061734592 /nfs/dbraw/zinc/73/45/92/1061734592.db2.gz RJFAMZWHOWJWMT-UHFFFAOYSA-N 1 0 371.437 2.977 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCc2ccsc2)[NH+](C)C)cc1 ZINC001478246255 1061953844 /nfs/dbraw/zinc/95/38/44/1061953844.db2.gz MCLWKMIMIKXNPL-GOSISDBHSA-N 1 0 360.527 2.959 20 10 FFCDRO C[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H](C)[N@H+]1C ZINC001466893721 1063586059 /nfs/dbraw/zinc/58/60/59/1063586059.db2.gz COWFJYZXZNFVMZ-GASCZTMLSA-N 1 0 364.453 2.953 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C=CCC3)cc2F)CC1 ZINC001468640886 1064016784 /nfs/dbraw/zinc/01/67/84/1064016784.db2.gz BOAKEIGSYUXECU-MRXNPFEDSA-N 1 0 360.477 2.733 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)cc1 ZINC001470067326 1064252303 /nfs/dbraw/zinc/25/23/03/1064252303.db2.gz JTAKCTWHLIOEIP-VQIMIIECSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)ccc1OCCO ZINC001473947740 1065425911 /nfs/dbraw/zinc/42/59/11/1065425911.db2.gz PTOCMQJFYDTELC-UHFFFAOYSA-N 1 0 356.466 2.956 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC001473980583 1065431267 /nfs/dbraw/zinc/43/12/67/1065431267.db2.gz JIZOJLWLTIKVJP-KRWDZBQOSA-N 1 0 366.387 2.760 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001474333504 1065495498 /nfs/dbraw/zinc/49/54/98/1065495498.db2.gz NCGGEJSMUAMDJY-HUUCEWRRSA-N 1 0 353.457 2.661 20 10 FFCDRO COC(=O)[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)CC1CCCC1 ZINC001474742433 1065595196 /nfs/dbraw/zinc/59/51/96/1065595196.db2.gz RORQYRNADAFDSV-OAHLLOKOSA-N 1 0 351.443 2.869 20 10 FFCDRO c1ccc(CN2CCc3cc(CNC[C@H]4C[NH2+]CCCO4)ccc32)cc1 ZINC001580892697 1078887898 /nfs/dbraw/zinc/88/78/98/1078887898.db2.gz CHUGFALWRCBWPO-OAQYLSRUSA-N 1 0 351.494 2.717 20 10 FFCDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560328108 1076264619 /nfs/dbraw/zinc/26/46/19/1076264619.db2.gz GWKJSISAFBEGBX-LJQANCHMSA-N 1 0 369.488 2.843 20 10 FFCDRO CCOC(=O)C1(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC001560774003 1076298385 /nfs/dbraw/zinc/29/83/85/1076298385.db2.gz ULARFIBDTISQQC-UHFFFAOYSA-N 1 0 362.401 2.537 20 10 FFCDRO COC(=O)c1c(CNC[C@@H]2CCCC[N@H+](C)C2)c2cc(F)ccc2n1C ZINC001560933550 1076310766 /nfs/dbraw/zinc/31/07/66/1076310766.db2.gz SDONYBVRFRSXMK-AWEZNQCLSA-N 1 0 361.461 2.926 20 10 FFCDRO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC001564494006 1076637668 /nfs/dbraw/zinc/63/76/68/1076637668.db2.gz HTHYUNPICRSTDE-FHWLQOOXSA-N 1 0 362.518 2.612 20 10 FFCDRO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC001586061011 1079538325 /nfs/dbraw/zinc/53/83/25/1079538325.db2.gz NPFMFRHLUKNFBX-HXUWFJFHSA-N 1 0 370.497 2.968 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001587459789 1079794833 /nfs/dbraw/zinc/79/48/33/1079794833.db2.gz HSDQXYDKGHAEDX-HXUWFJFHSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000367163609 512365609 /nfs/dbraw/zinc/36/56/09/512365609.db2.gz LARMIHRXCVNMAH-NRFANRHFSA-N 1 0 357.450 2.936 20 10 FFCDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000090103311 507908963 /nfs/dbraw/zinc/90/89/63/507908963.db2.gz RWNOMTBYIRQBKL-KRWDZBQOSA-N 1 0 368.543 2.779 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000128770393 508640979 /nfs/dbraw/zinc/64/09/79/508640979.db2.gz RDITZLUDOLLKIB-PBHICJAKSA-N 1 0 350.482 2.763 20 10 FFCDRO CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158105001 508657826 /nfs/dbraw/zinc/65/78/26/508657826.db2.gz PFOWIDBJEJGQTH-INIZCTEOSA-N 1 0 362.861 2.656 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(C(=O)C(C)C)CC3)CC2)cc1 ZINC000150924015 508923170 /nfs/dbraw/zinc/92/31/70/508923170.db2.gz QUHOKTRLFDQSDK-UHFFFAOYSA-N 1 0 359.514 2.901 20 10 FFCDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160044690 508930045 /nfs/dbraw/zinc/93/00/45/508930045.db2.gz KPDHKEPHODHQNZ-HUUCEWRRSA-N 1 0 364.486 2.926 20 10 FFCDRO CCCC[N@H+](Cc1ccc(OCCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160783622 509032498 /nfs/dbraw/zinc/03/24/98/509032498.db2.gz HZCHNIRQFVMIBA-MRXNPFEDSA-N 1 0 355.500 2.970 20 10 FFCDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000267190338 509388240 /nfs/dbraw/zinc/38/82/40/509388240.db2.gz WTHUSDLHVFVHBB-UHFFFAOYSA-N 1 0 355.482 2.589 20 10 FFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)C1 ZINC000186111047 509528682 /nfs/dbraw/zinc/52/86/82/509528682.db2.gz RXWYMEURRJHMCC-JQWIXIFHSA-N 1 0 356.264 2.609 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000264464933 509543581 /nfs/dbraw/zinc/54/35/81/509543581.db2.gz SKSJSWWCWKVIAM-HNNXBMFYSA-N 1 0 372.488 2.599 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000264555432 509597090 /nfs/dbraw/zinc/59/70/90/509597090.db2.gz MMXONMYBALEJPM-CLNPQZTCSA-N 1 0 369.509 2.623 20 10 FFCDRO COC1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[NH2+]CC1 ZINC000166472018 509608954 /nfs/dbraw/zinc/60/89/54/509608954.db2.gz GAPPUJAUGIZDLC-UHFFFAOYSA-N 1 0 359.514 2.840 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000186375019 509677041 /nfs/dbraw/zinc/67/70/41/509677041.db2.gz CJRTUTFOKYELDC-YPMHNXCESA-N 1 0 372.259 2.727 20 10 FFCDRO COc1ccc(O)c(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000180207114 509813562 /nfs/dbraw/zinc/81/35/62/509813562.db2.gz YLXOGRZWCTURAR-UHFFFAOYSA-N 1 0 367.449 2.640 20 10 FFCDRO COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000265796751 510234046 /nfs/dbraw/zinc/23/40/46/510234046.db2.gz YDFBVADAGSUPBE-IBGZPJMESA-N 1 0 374.529 2.539 20 10 FFCDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000269302705 510330711 /nfs/dbraw/zinc/33/07/11/510330711.db2.gz RFHIJGMJCHMJTJ-UHFFFAOYSA-N 1 0 368.481 2.601 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172631926 510829059 /nfs/dbraw/zinc/82/90/59/510829059.db2.gz FLVCJRJQPLJHDM-HXUWFJFHSA-N 1 0 354.498 2.833 20 10 FFCDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000276606505 510942938 /nfs/dbraw/zinc/94/29/38/510942938.db2.gz OZCNVWBTTYJBAA-OAHLLOKOSA-N 1 0 358.413 2.531 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(=O)NC3CC3)cc2)CC1 ZINC000297543432 510985253 /nfs/dbraw/zinc/98/52/53/510985253.db2.gz QFIKLJKVSNJGMV-FQEVSTJZSA-N 1 0 357.498 2.545 20 10 FFCDRO COc1c(O)c(CN(C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278291940 510988307 /nfs/dbraw/zinc/98/83/07/510988307.db2.gz UZYOYCLFAWDKFS-UHFFFAOYSA-N 1 0 359.382 2.688 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(O)c1C ZINC000285666517 511002947 /nfs/dbraw/zinc/00/29/47/511002947.db2.gz MPFYHZZPQIFOCG-LSDHHAIUSA-N 1 0 352.500 2.616 20 10 FFCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000278777546 511006450 /nfs/dbraw/zinc/00/64/50/511006450.db2.gz VHKZYRBPBFOLMZ-UWJYYQICSA-N 1 0 371.477 2.905 20 10 FFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000270974223 511042935 /nfs/dbraw/zinc/04/29/35/511042935.db2.gz UGXIKFRRAXTNCW-YOCVDRLZSA-N 1 0 371.525 2.725 20 10 FFCDRO CN(C(=O)NCc1ccc2c(c1)CCCN2C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287452675 511049249 /nfs/dbraw/zinc/04/92/49/511049249.db2.gz IEQTYTJOSIHONT-DFNIBXOVSA-N 1 0 356.514 2.836 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(OC)c1O ZINC000271010000 511056306 /nfs/dbraw/zinc/05/63/06/511056306.db2.gz PBZZQFLOJFOREH-UHFFFAOYSA-N 1 0 372.421 2.633 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000271042589 511065546 /nfs/dbraw/zinc/06/55/46/511065546.db2.gz ODLOOIDXEUDZLB-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1 ZINC000288398200 511074535 /nfs/dbraw/zinc/07/45/35/511074535.db2.gz HQSVCFSKSVZBOC-HNNXBMFYSA-N 1 0 358.438 2.891 20 10 FFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000289575452 511105305 /nfs/dbraw/zinc/10/53/05/511105305.db2.gz JRCPNXTZHGQDGF-AWEZNQCLSA-N 1 0 367.751 2.982 20 10 FFCDRO CC(=O)NC[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000294827789 511190602 /nfs/dbraw/zinc/19/06/02/511190602.db2.gz NDOJUJWMDGGEER-LJQANCHMSA-N 1 0 373.522 2.721 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1 ZINC000271764717 511315861 /nfs/dbraw/zinc/31/58/61/511315861.db2.gz ZSDBGZJDPLFBHA-UHFFFAOYSA-N 1 0 356.422 2.957 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000271787794 511323931 /nfs/dbraw/zinc/32/39/31/511323931.db2.gz CTDREMUEDDKSBL-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO CC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(C)cc1O ZINC000280184477 511368916 /nfs/dbraw/zinc/36/89/16/511368916.db2.gz RWVIIDICNFZHFU-BBRMVZONSA-N 1 0 357.376 2.925 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](N4CCOCC4)C[C@@H]3C)cc2)CC1 ZINC000295368599 511380005 /nfs/dbraw/zinc/38/00/05/511380005.db2.gz SEZBMRYQCFSNMF-RXVVDRJESA-N 1 0 373.541 2.597 20 10 FFCDRO C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370216 511523751 /nfs/dbraw/zinc/52/37/51/511523751.db2.gz CJKOGEWYODRTFD-KFWWJZLASA-N 1 0 351.447 2.840 20 10 FFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000295875035 511543110 /nfs/dbraw/zinc/54/31/10/511543110.db2.gz HHZJBJHCFPKMGM-NRFANRHFSA-N 1 0 356.514 2.906 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000284363227 511697642 /nfs/dbraw/zinc/69/76/42/511697642.db2.gz NDILICIDNLMAET-ITDIGPHOSA-N 1 0 360.292 2.963 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)c1 ZINC000292759354 511710608 /nfs/dbraw/zinc/71/06/08/511710608.db2.gz JJLSFINMFOPIEG-MJGOQNOKSA-N 1 0 363.454 2.581 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296413812 511733676 /nfs/dbraw/zinc/73/36/76/511733676.db2.gz LBIXMOFELRKJOT-DTWKUNHWSA-N 1 0 355.287 2.677 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)N[C@@H](C(N)=O)c2ccccn2)c1O ZINC000296633374 511829894 /nfs/dbraw/zinc/82/98/94/511829894.db2.gz BLTLWVRWYYWBHR-QMTHXVAHSA-N 1 0 364.243 2.735 20 10 FFCDRO COCCOCCOCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000274625887 511892815 /nfs/dbraw/zinc/89/28/15/511892815.db2.gz GZSFAIIBSFATNS-MRXNPFEDSA-N 1 0 351.487 2.991 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000369601223 512505806 /nfs/dbraw/zinc/50/58/06/512505806.db2.gz YQNIAZUGNFGQOM-JXFKEZNVSA-N 1 0 356.466 2.780 20 10 FFCDRO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000367701449 512622666 /nfs/dbraw/zinc/62/26/66/512622666.db2.gz KWAQCDVUESNJEQ-KRWDZBQOSA-N 1 0 358.404 2.803 20 10 FFCDRO O=C([C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)N1CCCCC1 ZINC000374307474 512756430 /nfs/dbraw/zinc/75/64/30/512756430.db2.gz CZGPYOCUXDECAT-HXUWFJFHSA-N 1 0 371.525 2.748 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(NC(C)=O)nc3)CC2)cc1 ZINC000370674227 513045528 /nfs/dbraw/zinc/04/55/28/513045528.db2.gz SYIZOSFEVGYSNM-UHFFFAOYSA-N 1 0 354.454 2.807 20 10 FFCDRO CCOC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436016008 513737432 /nfs/dbraw/zinc/73/74/32/513737432.db2.gz PJAIAAKSDZVFGI-INIZCTEOSA-N 1 0 357.498 2.949 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC4(CC[NH2+]4)CC3)ccc21 ZINC000518553524 516702621 /nfs/dbraw/zinc/70/26/21/516702621.db2.gz DFNNGMOMYLAKNH-UHFFFAOYSA-N 1 0 355.482 2.873 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1O ZINC000527946486 518004831 /nfs/dbraw/zinc/00/48/31/518004831.db2.gz DTLQPZURRNOTOZ-KUHUBIRLSA-N 1 0 368.905 2.620 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC2(C)COC2)C1 ZINC000628683795 523679197 /nfs/dbraw/zinc/67/91/97/523679197.db2.gz UHQZNIDMLYBDGS-UHFFFAOYSA-N 1 0 369.509 2.903 20 10 FFCDRO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511500 608515986 /nfs/dbraw/zinc/51/59/86/608515986.db2.gz SKVMAQIKTMNGLA-UHFFFAOYSA-N 1 0 370.844 2.548 20 10 FFCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(O)cccc1OC ZINC000825318289 608545935 /nfs/dbraw/zinc/54/59/35/608545935.db2.gz KXZQPMJLARILQD-UHFFFAOYSA-N 1 0 353.426 2.993 20 10 FFCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000826210267 608581503 /nfs/dbraw/zinc/58/15/03/608581503.db2.gz KRQJZLDULMDPIH-UHFFFAOYSA-N 1 0 351.410 2.746 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000897987597 735300535 /nfs/dbraw/zinc/30/05/35/735300535.db2.gz RNMVGHSFBGTAAL-GFCCVEGCSA-N 1 0 365.817 2.662 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000066978976 728179446 /nfs/dbraw/zinc/17/94/46/728179446.db2.gz UMPBUSAZIPMATI-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO O=C(CC(F)(F)F)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126243 728464771 /nfs/dbraw/zinc/46/47/71/728464771.db2.gz JLHHFUFGONIYTK-UHFFFAOYSA-N 1 0 355.404 2.787 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106819835 728512064 /nfs/dbraw/zinc/51/20/64/728512064.db2.gz QEDSYAIKWLAGOH-CQSZACIVSA-N 1 0 360.527 2.521 20 10 FFCDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121208135 728622180 /nfs/dbraw/zinc/62/21/80/728622180.db2.gz XLSJDOUQQTYYPE-NVXWUHKLSA-N 1 0 352.450 2.509 20 10 FFCDRO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000123706170 728661727 /nfs/dbraw/zinc/66/17/27/728661727.db2.gz QHJPQHBFIAYMSN-CVEARBPZSA-N 1 0 362.367 2.550 20 10 FFCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000127187137 728705714 /nfs/dbraw/zinc/70/57/14/728705714.db2.gz JQRWOHAWSAXWDZ-KBPBESRZSA-N 1 0 374.934 2.650 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000177203040 729131121 /nfs/dbraw/zinc/13/11/21/729131121.db2.gz QSPYHJRLBLYXKM-UHFFFAOYSA-N 1 0 366.889 2.792 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(CC)CC)cc2)CC1 ZINC000180021326 729201056 /nfs/dbraw/zinc/20/10/56/729201056.db2.gz KKRGXOWJSMGLBT-UHFFFAOYSA-N 1 0 367.559 2.827 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(Cl)Cl)CC2)cc1 ZINC000182524488 729280934 /nfs/dbraw/zinc/28/09/34/729280934.db2.gz XESGQLVWODTSLB-UHFFFAOYSA-N 1 0 374.312 2.517 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)cc1 ZINC000924832207 738453235 /nfs/dbraw/zinc/45/32/35/738453235.db2.gz PYNANTLPAHHLNS-XGSMCBPESA-N 1 0 361.555 2.833 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858142661 730417778 /nfs/dbraw/zinc/41/77/78/730417778.db2.gz ISFBWDWQLZRNMQ-MNOVXSKESA-N 1 0 362.289 2.600 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000858151109 730417915 /nfs/dbraw/zinc/41/79/15/730417915.db2.gz TXCOUPFAHPMSTJ-LBPRGKRZSA-N 1 0 356.260 2.973 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(Cl)nc(=O)[nH]3)cc2F)CC1 ZINC000858399429 730424739 /nfs/dbraw/zinc/42/47/39/730424739.db2.gz FAHJKNUMLNPDGU-UHFFFAOYSA-N 1 0 365.840 2.729 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861686327 730634462 /nfs/dbraw/zinc/63/44/62/730634462.db2.gz NZTCQRVRWGKUOE-SMDDNHRTSA-N 1 0 370.291 2.827 20 10 FFCDRO O=C(C1CC[NH+](Cc2c(O)cccc2Br)CC1)N1CCCC1 ZINC000862216959 730676882 /nfs/dbraw/zinc/67/68/82/730676882.db2.gz QOAVQWBOIJNFGE-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO O=C([C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1)N1CCCC1 ZINC000862243677 730680745 /nfs/dbraw/zinc/68/07/45/730680745.db2.gz OYYJHMFUJVMTDM-ZDUSSCGKSA-N 1 0 367.287 2.989 20 10 FFCDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(O)cccc2Br)CN1 ZINC000862253060 730682794 /nfs/dbraw/zinc/68/27/94/730682794.db2.gz KPYHHMLHQAEWJS-RISCZKNCSA-N 1 0 353.260 2.645 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@H+](C)C1CCC1 ZINC000863892561 730813801 /nfs/dbraw/zinc/81/38/01/730813801.db2.gz ALAKXOJXIQHKGV-UHFFFAOYSA-N 1 0 355.276 2.988 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1 ZINC000866493771 731066930 /nfs/dbraw/zinc/06/69/30/731066930.db2.gz ZKBABIHFBNWHKD-LXZKKBNFSA-N 1 0 350.459 2.722 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc2)CC1 ZINC000877479046 732369555 /nfs/dbraw/zinc/36/95/55/732369555.db2.gz PXPIDLKLKJKDBM-UHFFFAOYSA-N 1 0 364.383 2.654 20 10 FFCDRO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000877793009 732433134 /nfs/dbraw/zinc/43/31/34/732433134.db2.gz LSUQHFWMYGTFLZ-PKOBYXMFSA-N 1 0 357.475 2.926 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926944078 738670756 /nfs/dbraw/zinc/67/07/56/738670756.db2.gz NIIJMAZWIQTBPL-HOZXKAFVSA-N 1 0 372.259 2.618 20 10 FFCDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N2CCOCC2)cc1Cl ZINC000927003652 738680596 /nfs/dbraw/zinc/68/05/96/738680596.db2.gz CADQMYJIOFFTGB-CQSZACIVSA-N 1 0 366.889 2.980 20 10 FFCDRO C[N@@H+]1CCn2nc(NCc3cc(Br)cc(F)c3O)cc2C1 ZINC000883199307 733350166 /nfs/dbraw/zinc/35/01/66/733350166.db2.gz ARJAEJQALZBSCC-UHFFFAOYSA-N 1 0 355.211 2.548 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCCS3)cc2F)CC1 ZINC000783047955 738775531 /nfs/dbraw/zinc/77/55/31/738775531.db2.gz XSZACXYFUPULIO-SFHVURJKSA-N 1 0 365.518 2.870 20 10 FFCDRO C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665791 734206151 /nfs/dbraw/zinc/20/61/51/734206151.db2.gz XWTZRDRLFGPXTI-CYBMUJFWSA-N 1 0 358.408 2.579 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)C1CCC([NH+]2CCOCC2)CC1 ZINC000890763614 734337045 /nfs/dbraw/zinc/33/70/45/734337045.db2.gz YYRIGGZROYEPKX-UHFFFAOYSA-N 1 0 352.862 2.553 20 10 FFCDRO CN(CCOCC[NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000706677423 734361546 /nfs/dbraw/zinc/36/15/46/734361546.db2.gz KQYYKDRUXSXIHG-OAHLLOKOSA-N 1 0 350.459 2.853 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000715138505 734371272 /nfs/dbraw/zinc/37/12/72/734371272.db2.gz VROSBPWFMHIRGD-AULYBMBSSA-N 1 0 350.415 2.514 20 10 FFCDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000725847743 734395759 /nfs/dbraw/zinc/39/57/59/734395759.db2.gz PLRAHDAOSYKWOY-UHFFFAOYSA-N 1 0 365.861 2.780 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1O ZINC000725849527 734396443 /nfs/dbraw/zinc/39/64/43/734396443.db2.gz PNNTWQYVEBQFIN-LBPRGKRZSA-N 1 0 350.440 2.623 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)nc2F)[NH+](C)C)cc1 ZINC000891247242 734403941 /nfs/dbraw/zinc/40/39/41/734403941.db2.gz RXFHUGYLNXKXTK-OAHLLOKOSA-N 1 0 364.852 2.973 20 10 FFCDRO COCc1sccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246407 734404134 /nfs/dbraw/zinc/40/41/34/734404134.db2.gz NKFGZAAITMRGPQ-KRWDZBQOSA-N 1 0 361.511 2.993 20 10 FFCDRO COc1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(O)c1OC ZINC000891629969 734454021 /nfs/dbraw/zinc/45/40/21/734454021.db2.gz AQMQTWDJJLFGPI-UHFFFAOYSA-N 1 0 362.495 2.831 20 10 FFCDRO CCC[N@H+](C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000730284504 734625258 /nfs/dbraw/zinc/62/52/58/734625258.db2.gz WEHHIGJRJYDCGQ-UHFFFAOYSA-N 1 0 355.429 2.715 20 10 FFCDRO Cc1cc(C)cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330887 734809626 /nfs/dbraw/zinc/80/96/26/734809626.db2.gz RNFVARUBSFABNH-UHFFFAOYSA-N 1 0 358.507 2.828 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC(C)(C)C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894287427 734830842 /nfs/dbraw/zinc/83/08/42/734830842.db2.gz HDJXIYPVEKITDD-LBPRGKRZSA-N 1 0 350.434 2.991 20 10 FFCDRO Brc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000733798565 734848904 /nfs/dbraw/zinc/84/89/04/734848904.db2.gz VTCXJUUIMHUCKC-UHFFFAOYSA-N 1 0 362.271 2.971 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000895150589 734968948 /nfs/dbraw/zinc/96/89/48/734968948.db2.gz BUOVHCFIIPVKQE-MSOLQXFVSA-N 1 0 352.450 2.697 20 10 FFCDRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1c(O)cccc1Br ZINC000897177357 735201632 /nfs/dbraw/zinc/20/16/32/735201632.db2.gz OAEVCYMHCXRKRQ-CYBMUJFWSA-N 1 0 370.287 2.908 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)Cc2cccc(=O)[nH]2)c1O ZINC000897392175 735228340 /nfs/dbraw/zinc/22/83/40/735228340.db2.gz QEAIWHCJUVCSQU-UHFFFAOYSA-N 1 0 353.216 2.896 20 10 FFCDRO CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127131 735747097 /nfs/dbraw/zinc/74/70/97/735747097.db2.gz INSFFNKKUNYEJQ-RCBQFDQVSA-N 1 0 354.878 2.533 20 10 FFCDRO COC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000750058003 735768394 /nfs/dbraw/zinc/76/83/94/735768394.db2.gz OUYRLOUHQGZUDT-UHFFFAOYSA-N 1 0 369.845 2.792 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000903173844 736048636 /nfs/dbraw/zinc/04/86/36/736048636.db2.gz XGQPPCAOFXTETQ-HNNXBMFYSA-N 1 0 362.495 2.943 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)F ZINC000905052425 736289072 /nfs/dbraw/zinc/28/90/72/736289072.db2.gz QHNWUMKRNYNUBD-HNNXBMFYSA-N 1 0 368.346 2.648 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)(F)F ZINC000905062683 736290958 /nfs/dbraw/zinc/29/09/58/736290958.db2.gz NJJSZRUNWDLSSR-CQSZACIVSA-N 1 0 368.346 2.561 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c(O)c1C ZINC000756476302 736334896 /nfs/dbraw/zinc/33/48/96/736334896.db2.gz SAKUMAOYSFQVRK-INIZCTEOSA-N 1 0 362.495 2.779 20 10 FFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756552736 736342277 /nfs/dbraw/zinc/34/22/77/736342277.db2.gz HBWZVDAYQBENFY-VXGBXAGGSA-N 1 0 374.298 2.580 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=S)NCc3cccs3)cc2)CC1 ZINC000905528649 736352305 /nfs/dbraw/zinc/35/23/05/736352305.db2.gz GWWOBIAVKWDDSK-UHFFFAOYSA-N 1 0 360.552 2.664 20 10 FFCDRO COCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756766808 736360113 /nfs/dbraw/zinc/36/01/13/736360113.db2.gz ZSXJCFFWXIOPQN-SWLSCSKDSA-N 1 0 350.434 2.697 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc(Br)cc1O ZINC000757654703 736416380 /nfs/dbraw/zinc/41/63/80/736416380.db2.gz NHSQYGJYVOQPGM-JQWIXIFHSA-N 1 0 362.289 2.773 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Br)ccc1O ZINC000757653554 736416456 /nfs/dbraw/zinc/41/64/56/736416456.db2.gz JLKQAGUGIMOMTG-ZYHUDNBSSA-N 1 0 362.289 2.773 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Br)ccc1O ZINC000757653552 736416478 /nfs/dbraw/zinc/41/64/78/736416478.db2.gz JLKQAGUGIMOMTG-PWSUYJOCSA-N 1 0 362.289 2.773 20 10 FFCDRO C[N@H+](CCNC(=O)NCc1cccc(Br)c1O)C1CCCC1 ZINC000764781081 737048885 /nfs/dbraw/zinc/04/88/85/737048885.db2.gz VYZWZEIXQHELAS-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290080 737105629 /nfs/dbraw/zinc/10/56/29/737105629.db2.gz HECARVVTPWUALA-IINYFYTJSA-N 1 0 352.784 2.750 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765787299 737158499 /nfs/dbraw/zinc/15/84/99/737158499.db2.gz DAWCXIVUHCGJOZ-HZPDHXFCSA-N 1 0 367.921 2.548 20 10 FFCDRO CC[N@H+](CCNC(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000805075580 740935190 /nfs/dbraw/zinc/93/51/90/740935190.db2.gz ZRBFJWVOLLAGFM-UHFFFAOYSA-N 1 0 358.280 2.684 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805074575 740935284 /nfs/dbraw/zinc/93/52/84/740935284.db2.gz LHZXQVYMSMEJND-NSHDSACASA-N 1 0 358.280 2.684 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1OC ZINC000767513139 737334368 /nfs/dbraw/zinc/33/43/68/737334368.db2.gz MLZBBPCKBWXWFL-MRXNPFEDSA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(CNC(C)=O)CC2)c1O ZINC000769060602 737490877 /nfs/dbraw/zinc/49/08/77/737490877.db2.gz QBFWXKUMTZIOIV-UHFFFAOYSA-N 1 0 371.275 2.511 20 10 FFCDRO CC[N@H+](CCO)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000769642590 737548940 /nfs/dbraw/zinc/54/89/40/737548940.db2.gz YDKLADRCSAVREG-UHFFFAOYSA-N 1 0 363.889 2.792 20 10 FFCDRO CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054984 737689939 /nfs/dbraw/zinc/68/99/39/737689939.db2.gz ASGXYEDUFBCOGD-ZMSDIMECSA-N 1 0 352.862 2.551 20 10 FFCDRO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCOCC1 ZINC000771067236 737691514 /nfs/dbraw/zinc/69/15/14/737691514.db2.gz UJKSREUJFZNGEY-MRXNPFEDSA-N 1 0 366.889 2.943 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3\N=C(c4ccsc4)OC3=O)cc2)CC1 ZINC000771518683 737732126 /nfs/dbraw/zinc/73/21/26/737732126.db2.gz ALWIDFBRIALPRG-ATVHPVEESA-N 1 0 353.447 2.844 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000772960331 737859197 /nfs/dbraw/zinc/85/91/97/737859197.db2.gz GXDXOBWGULMMEV-QGZVFWFLSA-N 1 0 365.543 2.753 20 10 FFCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773026487 737864436 /nfs/dbraw/zinc/86/44/36/737864436.db2.gz NASKPMKNYKMXKI-GJZGRUSLSA-N 1 0 356.894 2.879 20 10 FFCDRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000773359546 737899130 /nfs/dbraw/zinc/89/91/30/737899130.db2.gz ANWZRANXIAQZKN-KSSFIOAISA-N 1 0 350.532 2.550 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000775167383 738068666 /nfs/dbraw/zinc/06/86/66/738068666.db2.gz FSTVYIJKCVUXDY-LBPRGKRZSA-N 1 0 355.356 2.759 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cc1OC ZINC000775714679 738116678 /nfs/dbraw/zinc/11/66/78/738116678.db2.gz RFGTZMOMXSQRCY-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO Fc1cc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)ccc1N1CCOCC1 ZINC000922462344 738149375 /nfs/dbraw/zinc/14/93/75/738149375.db2.gz ODOJLNISACBSLJ-CZUORRHYSA-N 1 0 362.367 2.862 20 10 FFCDRO COC[C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000777303000 738276949 /nfs/dbraw/zinc/27/69/49/738276949.db2.gz VNGIJCNGNMQOSU-YOEHRIQHSA-N 1 0 351.491 2.943 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1O ZINC000787324284 739127335 /nfs/dbraw/zinc/12/73/35/739127335.db2.gz SLYRIIFAALVGFW-BTDLBPIBSA-N 1 0 365.813 2.995 20 10 FFCDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c(F)ccc(O)c1O ZINC000789946858 739399136 /nfs/dbraw/zinc/39/91/36/739399136.db2.gz MUPVAQJARBBMAL-LBPRGKRZSA-N 1 0 350.415 2.865 20 10 FFCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793075765 739737226 /nfs/dbraw/zinc/73/72/26/739737226.db2.gz BSHIDUJBRNBSKP-INIZCTEOSA-N 1 0 362.392 2.829 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000794798519 739931677 /nfs/dbraw/zinc/93/16/77/739931677.db2.gz VKOZCGWRDJMJJR-KRWDZBQOSA-N 1 0 354.516 2.946 20 10 FFCDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1O ZINC000794816094 739933526 /nfs/dbraw/zinc/93/35/26/739933526.db2.gz JUIDNJUZSSKXCE-KRWDZBQOSA-N 1 0 354.516 2.803 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000796528265 740150100 /nfs/dbraw/zinc/15/01/00/740150100.db2.gz FTCDFLQYWRIACJ-VXGBXAGGSA-N 1 0 360.483 2.788 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC=C(Br)C3)cc2)CC1 ZINC000799737193 740446934 /nfs/dbraw/zinc/44/69/34/740446934.db2.gz YIGZCIWREZHHQQ-UHFFFAOYSA-N 1 0 350.304 2.923 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805185072 740948118 /nfs/dbraw/zinc/94/81/18/740948118.db2.gz WUSKKHSYRGZLJE-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805183598 740948312 /nfs/dbraw/zinc/94/83/12/740948312.db2.gz DQDGQICKDZSYHY-LBPRGKRZSA-N 1 0 370.291 2.684 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000807550298 741140400 /nfs/dbraw/zinc/14/04/00/741140400.db2.gz PUBQKMLFFIHRRG-ZDUSSCGKSA-N 1 0 370.291 2.828 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000809698322 741333167 /nfs/dbraw/zinc/33/31/67/741333167.db2.gz YFRIKIPFVQSAIV-WBVHZDCISA-N 1 0 358.404 2.516 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000809779743 741342830 /nfs/dbraw/zinc/34/28/30/741342830.db2.gz YKXGTUXEHKSYIG-CQSZACIVSA-N 1 0 351.830 2.929 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000813334544 741702437 /nfs/dbraw/zinc/70/24/37/741702437.db2.gz OVYNLUNQDDTSKT-UHFFFAOYSA-N 1 0 367.902 2.685 20 10 FFCDRO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CC[NH+](C)CC1 ZINC000815575833 741946052 /nfs/dbraw/zinc/94/60/52/741946052.db2.gz BKPPSIZYEYNUQT-ZIAGYGMSSA-N 1 0 359.436 2.945 20 10 FFCDRO CCCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1=O ZINC000817410916 742139457 /nfs/dbraw/zinc/13/94/57/742139457.db2.gz JRKKOFXHKIOYCI-LLVKDONJSA-N 1 0 371.275 2.511 20 10 FFCDRO CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)c1cc(Br)ccc1O ZINC000817975008 742226198 /nfs/dbraw/zinc/22/61/98/742226198.db2.gz PTXXMQATVDFFQH-GDBMZVCRSA-N 1 0 357.292 2.964 20 10 FFCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997909 742227998 /nfs/dbraw/zinc/22/79/98/742227998.db2.gz ZZBHHWZPNFAVOP-GUYCJALGSA-N 1 0 358.511 2.728 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC1CCCC1 ZINC000819122307 742340118 /nfs/dbraw/zinc/34/01/18/742340118.db2.gz URDOUOVFJPJGIB-GOSISDBHSA-N 1 0 350.478 2.818 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504222 742745508 /nfs/dbraw/zinc/74/55/08/742745508.db2.gz PJHVVRODKVLGAK-ZDUSSCGKSA-N 1 0 367.247 2.592 20 10 FFCDRO CC[N@H+](Cc1ccnc(OC)n1)Cc1cc(Br)ccc1O ZINC000823477026 742922301 /nfs/dbraw/zinc/92/23/01/742922301.db2.gz HSHVALICWCNWQW-UHFFFAOYSA-N 1 0 352.232 2.975 20 10 FFCDRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1)N1CCCC1 ZINC000824807710 743152443 /nfs/dbraw/zinc/15/24/43/743152443.db2.gz HHZNDLIFNAYYJD-AWEZNQCLSA-N 1 0 367.287 2.989 20 10 FFCDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824853606 743164074 /nfs/dbraw/zinc/16/40/74/743164074.db2.gz HNBDYMOHDWMIPK-OLZOCXBDSA-N 1 0 372.259 2.985 20 10 FFCDRO Cc1cc(O)c(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1Cl ZINC000824870045 743167857 /nfs/dbraw/zinc/16/78/57/743167857.db2.gz LTNZGSYMVGXHSC-INIZCTEOSA-N 1 0 366.889 2.957 20 10 FFCDRO CN(C)c1cc(NCc2cc3c(cc2O)OCO3)[nH+]cc1Br ZINC000825104270 743210137 /nfs/dbraw/zinc/21/01/37/743210137.db2.gz SJDQCJSWHKWQRR-UHFFFAOYSA-N 1 0 366.215 2.957 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1Cl ZINC000825132277 743216068 /nfs/dbraw/zinc/21/60/68/743216068.db2.gz ZZPVOKVAVCVURD-QGZVFWFLSA-N 1 0 356.919 2.652 20 10 FFCDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825326166 743248526 /nfs/dbraw/zinc/24/85/26/743248526.db2.gz KLAFKFNEBHSADU-DZGCQCFKSA-N 1 0 366.259 2.898 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1Cl ZINC000825376019 743258272 /nfs/dbraw/zinc/25/82/72/743258272.db2.gz USSKROIDBGFEJP-LBPRGKRZSA-N 1 0 350.768 2.997 20 10 FFCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825391595 743261572 /nfs/dbraw/zinc/26/15/72/743261572.db2.gz YNRUUWCXFQJBGN-WBVHZDCISA-N 1 0 366.255 2.729 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cc1Cl ZINC000825405845 743264764 /nfs/dbraw/zinc/26/47/64/743264764.db2.gz KZYHXBXTROQTJQ-AWEZNQCLSA-N 1 0 350.821 2.927 20 10 FFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1O ZINC000825721268 743317883 /nfs/dbraw/zinc/31/78/83/743317883.db2.gz OZVDTJMBBAAAOY-ZDUSSCGKSA-N 1 0 369.303 2.840 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NCCC[NH+]3CCCCC3)cs2)cc1 ZINC000825985676 743352470 /nfs/dbraw/zinc/35/24/70/743352470.db2.gz VVZXHDLIQAEPEY-UHFFFAOYSA-N 1 0 358.511 2.922 20 10 FFCDRO OC[C@]1([C@@H]([NH2+]Cc2ccc(Br)cc2O)C2CC2)CCCO1 ZINC000826024191 743357717 /nfs/dbraw/zinc/35/77/17/743357717.db2.gz VFXKMDBWNWBTLH-HOTGVXAUSA-N 1 0 356.260 2.564 20 10 FFCDRO COCC[N@@H+](Cc1ccc(Br)cc1O)C[C@@H](O)C(F)(F)F ZINC000826534458 743391916 /nfs/dbraw/zinc/39/19/16/743391916.db2.gz GTBKPSDTCNMAQB-GFCCVEGCSA-N 1 0 372.181 2.526 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000827118611 743511025 /nfs/dbraw/zinc/51/10/25/743511025.db2.gz DKMGOKNECBCJGC-MRXNPFEDSA-N 1 0 357.420 2.678 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000830755300 745425580 /nfs/dbraw/zinc/42/55/80/745425580.db2.gz GQDAILRZJIAPNW-INIZCTEOSA-N 1 0 358.511 2.872 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831212626 745499357 /nfs/dbraw/zinc/49/93/57/745499357.db2.gz SBIRGCBHFLTPQC-QWRGUYRKSA-N 1 0 358.280 2.812 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2occc2Br)cc1 ZINC000832266655 745668680 /nfs/dbraw/zinc/66/86/80/745668680.db2.gz HUWCZEIUXGFYEE-ZDUSSCGKSA-N 1 0 352.232 2.538 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc(C(F)(F)F)n2)cc1 ZINC000832285439 745671923 /nfs/dbraw/zinc/67/19/23/745671923.db2.gz QOTDSTZCIKCYLO-LLVKDONJSA-N 1 0 358.389 2.658 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000832292719 745673634 /nfs/dbraw/zinc/67/36/34/745673634.db2.gz KTCCSIYODOTWOG-CYBMUJFWSA-N 1 0 353.253 2.884 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)cc1F ZINC000836484783 746235315 /nfs/dbraw/zinc/23/53/15/746235315.db2.gz GVCFHMRKOZIUEJ-UHFFFAOYSA-N 1 0 350.482 2.957 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000839148841 746789056 /nfs/dbraw/zinc/78/90/56/746789056.db2.gz NHZLDPOMEPKQIO-UHFFFAOYSA-N 1 0 354.859 2.634 20 10 FFCDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761070 747175746 /nfs/dbraw/zinc/17/57/46/747175746.db2.gz PJLODDVPQAGRQI-LBPRGKRZSA-N 1 0 350.413 2.694 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000840941623 747236360 /nfs/dbraw/zinc/23/63/60/747236360.db2.gz FEVCIYFFBLSOST-UHFFFAOYSA-N 1 0 367.559 2.743 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)C1 ZINC000841102871 747270283 /nfs/dbraw/zinc/27/02/83/747270283.db2.gz ANJVBDXAUPZILU-ZBFHGGJFSA-N 1 0 369.303 2.873 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841855551 747477169 /nfs/dbraw/zinc/47/71/69/747477169.db2.gz BARBNSZJUKYRCG-AWEZNQCLSA-N 1 0 354.545 2.799 20 10 FFCDRO CCn1nncc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841864133 747478677 /nfs/dbraw/zinc/47/86/77/747478677.db2.gz GPNOLAQWFWZUCZ-ZDUSSCGKSA-N 1 0 351.401 2.658 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842012260 747501273 /nfs/dbraw/zinc/50/12/73/747501273.db2.gz ZMEVIZOKDDGODU-RISCZKNCSA-N 1 0 370.291 2.814 20 10 FFCDRO C[C@H](C(=O)N1CCc2sccc2C1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843351007 747815434 /nfs/dbraw/zinc/81/54/34/747815434.db2.gz ZTPSXYGICDNZSE-CQSZACIVSA-N 1 0 355.507 2.933 20 10 FFCDRO C[C@@H](C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000843417442 747832990 /nfs/dbraw/zinc/83/29/90/747832990.db2.gz UHGMOVDHBLOFJQ-RYUDHWBXSA-N 1 0 352.431 2.902 20 10 FFCDRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845938029 748356997 /nfs/dbraw/zinc/35/69/97/748356997.db2.gz TZECHVCDLUMTCH-QFBILLFUSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c1O ZINC000848543904 748954880 /nfs/dbraw/zinc/95/48/80/748954880.db2.gz IPJOTIVBXXKZPU-IINYFYTJSA-N 1 0 374.275 2.601 20 10 FFCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848549490 748957297 /nfs/dbraw/zinc/95/72/97/748957297.db2.gz PSFRGINFGNCFCF-LWOUBBNUSA-N 1 0 374.275 2.744 20 10 FFCDRO CCc1cccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1O ZINC000848906917 749032301 /nfs/dbraw/zinc/03/23/01/749032301.db2.gz YIWBAGKGHXBAJO-UHFFFAOYSA-N 1 0 354.516 2.637 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C)nc4sc(C)nn34)C2)cc1 ZINC000850346804 749346919 /nfs/dbraw/zinc/34/69/19/749346919.db2.gz KJSXKYIYOJHXML-AWEZNQCLSA-N 1 0 357.483 2.785 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000852696194 749927440 /nfs/dbraw/zinc/92/74/40/749927440.db2.gz WEPDTGAIRJTQGE-CYBMUJFWSA-N 1 0 352.862 2.985 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000840343685 971100420 /nfs/dbraw/zinc/10/04/20/971100420.db2.gz UBKNJHRRGBTVFL-IAGOWNOFSA-N 1 0 358.530 2.942 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c(O)c1O ZINC000780914907 971224075 /nfs/dbraw/zinc/22/40/75/971224075.db2.gz HDGJRNXXKIIZAA-UHFFFAOYSA-N 1 0 357.410 2.549 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000175761847 959542054 /nfs/dbraw/zinc/54/20/54/959542054.db2.gz BWLZVCDKVRFNKY-UHFFFAOYSA-N 1 0 362.518 2.649 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@@H](O)C2)C1 ZINC000683501864 960794629 /nfs/dbraw/zinc/79/46/29/960794629.db2.gz ZVUUZNHDGXQEHJ-IAGOWNOFSA-N 1 0 369.509 2.685 20 10 FFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001275952371 1013222136 /nfs/dbraw/zinc/22/21/36/1013222136.db2.gz WSPGMEXXCQJLJL-WOJBJXKFSA-N 1 0 359.514 2.663 20 10 FFCDRO CCOc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891243352 962541408 /nfs/dbraw/zinc/54/14/08/962541408.db2.gz MXCWPPWZZURBHT-IBGZPJMESA-N 1 0 370.497 2.508 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2OC)cc1Cn1cccn1 ZINC000873023358 1013353198 /nfs/dbraw/zinc/35/31/98/1013353198.db2.gz ZGPZBNLBMOUEKD-LJQANCHMSA-N 1 0 367.449 2.772 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(C=O)ccc2F)[NH+](C)C)cc1 ZINC000891246867 962567045 /nfs/dbraw/zinc/56/70/45/962567045.db2.gz QQEPCNNWUZHHKA-IBGZPJMESA-N 1 0 357.429 2.737 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2(c3ccccn3)CC2)[NH+](C)C)cc1 ZINC000891247247 962572128 /nfs/dbraw/zinc/57/21/28/962572128.db2.gz RZSWKXFXJZQIOB-SFHVURJKSA-N 1 0 352.482 2.598 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cn2cnc3ccccc32)[NH+](C)C)cc1 ZINC000891249892 962589520 /nfs/dbraw/zinc/58/95/20/962589520.db2.gz XNZXDDOZLRDRCU-FQEVSTJZSA-N 1 0 365.481 2.521 20 10 FFCDRO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250033 962595257 /nfs/dbraw/zinc/59/52/57/962595257.db2.gz YBOHLFHCTTTXNR-QGZVFWFLSA-N 1 0 357.502 2.940 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CSCc2cccnc2)[NH+](C)C)cc1 ZINC000891251647 962604610 /nfs/dbraw/zinc/60/46/10/962604610.db2.gz CWHJZYCNIMSSQT-IBGZPJMESA-N 1 0 372.538 2.800 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CSCc2ccncc2)[NH+](C)C)cc1 ZINC000891255428 962622543 /nfs/dbraw/zinc/62/25/43/962622543.db2.gz PBGZSWLABDWTPI-IBGZPJMESA-N 1 0 372.538 2.800 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](CO)c2ccccc2)cc1Cn1cccn1 ZINC000873070823 1013374085 /nfs/dbraw/zinc/37/40/85/1013374085.db2.gz AZAXRFPFSWGHFQ-HXUWFJFHSA-N 1 0 351.450 2.806 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001276063508 1013390312 /nfs/dbraw/zinc/39/03/12/1013390312.db2.gz HDVRAEMOKCVLME-HXUWFJFHSA-N 1 0 364.461 2.772 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1Cn1cccn1 ZINC000873130630 1013395815 /nfs/dbraw/zinc/39/58/15/1013395815.db2.gz FCMKNYJQZGPRAA-PZJWPPBQSA-N 1 0 355.482 2.827 20 10 FFCDRO COC(=O)c1cc(C)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167436873 963263338 /nfs/dbraw/zinc/26/33/38/963263338.db2.gz DLULXMQAEZBMGB-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000891440355 964058577 /nfs/dbraw/zinc/05/85/77/964058577.db2.gz GGNMORNZFWHFKI-FUHWJXTLSA-N 1 0 374.529 2.662 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000237133006 964207275 /nfs/dbraw/zinc/20/72/75/964207275.db2.gz GGKRPSLRWZLQLD-SFHVURJKSA-N 1 0 353.466 2.522 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ncc[nH]2)cc1C ZINC001087163394 964355863 /nfs/dbraw/zinc/35/58/63/964355863.db2.gz WPSUNWQVHZTPSL-PBHICJAKSA-N 1 0 356.470 2.757 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000891590382 964521740 /nfs/dbraw/zinc/52/17/40/964521740.db2.gz YHODGKYLDHUVTI-UHFFFAOYSA-N 1 0 362.477 2.708 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(O)c1OC ZINC000891722785 964961997 /nfs/dbraw/zinc/96/19/97/964961997.db2.gz BUYLPVCGTUHHAD-UHFFFAOYSA-N 1 0 373.409 2.640 20 10 FFCDRO C[C@@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000891814672 965140681 /nfs/dbraw/zinc/14/06/81/965140681.db2.gz SZYKHEYGZBOSQS-OAHLLOKOSA-N 1 0 352.482 2.959 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)cc1 ZINC001176486420 1013712487 /nfs/dbraw/zinc/71/24/87/1013712487.db2.gz VMCBWQHMGTUOQW-NRFANRHFSA-N 1 0 360.498 2.813 20 10 FFCDRO Cc1cccnc1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895172015 968076180 /nfs/dbraw/zinc/07/61/80/968076180.db2.gz ILUWINQWQAQYBA-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1N=NC(=O)N1C ZINC000895176420 968134256 /nfs/dbraw/zinc/13/42/56/968134256.db2.gz OGAWMXQFUCRQOH-ZDUSSCGKSA-N 1 0 354.410 2.656 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000874196939 1013784844 /nfs/dbraw/zinc/78/48/44/1013784844.db2.gz ATUAXSKHFZXEDB-JXFKEZNVSA-N 1 0 357.498 2.717 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001024170938 968797472 /nfs/dbraw/zinc/79/74/72/968797472.db2.gz KOQMTALGUXZJBA-XCJLJZCSSA-N 1 0 372.509 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c(O)c1OC ZINC000892466835 968899503 /nfs/dbraw/zinc/89/95/03/968899503.db2.gz SPABPDXUOKEYDF-GOSISDBHSA-N 1 0 372.465 2.573 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000178108149 969448898 /nfs/dbraw/zinc/44/88/98/969448898.db2.gz UYNGPKQEEIKBNW-LJQANCHMSA-N 1 0 367.493 2.888 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000255953274 969737855 /nfs/dbraw/zinc/73/78/55/969737855.db2.gz PQZBLXIWCPXSHP-MBOZVWFJSA-N 1 0 359.514 2.758 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066698640 969868372 /nfs/dbraw/zinc/86/83/72/969868372.db2.gz ROYSBAPTALOLCZ-CALCHBBNSA-N 1 0 363.502 2.813 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)CC2)cc1 ZINC000892812318 970304224 /nfs/dbraw/zinc/30/42/24/970304224.db2.gz LDWSHZQRGFXGDN-MOPGFXCFSA-N 1 0 364.461 2.887 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c(O)c1OC ZINC000892870716 970344165 /nfs/dbraw/zinc/34/41/65/970344165.db2.gz IGXCVVXAOCBJHT-LBPRGKRZSA-N 1 0 356.422 2.779 20 10 FFCDRO COCc1nccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000893081723 970568325 /nfs/dbraw/zinc/56/83/25/970568325.db2.gz LTKWGANILCXXQD-UHFFFAOYSA-N 1 0 367.497 2.767 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000895503807 970675439 /nfs/dbraw/zinc/67/54/39/970675439.db2.gz COHCTXBRNHAWDD-HNNXBMFYSA-N 1 0 354.406 2.619 20 10 FFCDRO C[C@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000875507872 1014036541 /nfs/dbraw/zinc/03/65/41/1014036541.db2.gz MFLGZQRGFCFVRM-KRWDZBQOSA-N 1 0 374.529 2.567 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000653132541 1014235700 /nfs/dbraw/zinc/23/57/00/1014235700.db2.gz KCAAPPSYWDHERZ-OAHLLOKOSA-N 1 0 355.482 2.787 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)CCCC1 ZINC000652557039 975238647 /nfs/dbraw/zinc/23/86/47/975238647.db2.gz VXZKCHXGARGQPN-GJZGRUSLSA-N 1 0 355.482 2.867 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnn(CC3CCCC3)c2)cc1 ZINC000876506284 1014288695 /nfs/dbraw/zinc/28/86/95/1014288695.db2.gz ICKDIDKXJLMMLI-LJQANCHMSA-N 1 0 355.486 2.569 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000053999558 976091986 /nfs/dbraw/zinc/09/19/86/976091986.db2.gz SUEZPQPMIZFJTF-GOSISDBHSA-N 1 0 374.529 2.791 20 10 FFCDRO CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448950 976460291 /nfs/dbraw/zinc/46/02/91/976460291.db2.gz ZNCBBZOSQLQDBH-NRFANRHFSA-N 1 0 368.525 2.847 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)N(C)C)cc1 ZINC000898448262 976460763 /nfs/dbraw/zinc/46/07/63/976460763.db2.gz RGQUVOINKQJNPR-FHWLQOOXSA-N 1 0 365.493 2.579 20 10 FFCDRO Cc1cc(C)n2c(C[NH2+]C[C@@H](c3ccc(N(C)C)cc3)N(C)C)cnc2n1 ZINC000898450127 976461847 /nfs/dbraw/zinc/46/18/47/976461847.db2.gz NYAGLSORRDRZLV-FQEVSTJZSA-N 1 0 366.513 2.805 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCCN(c4nccs4)CC3)cc2)CC1 ZINC000876638774 1014334560 /nfs/dbraw/zinc/33/45/60/1014334560.db2.gz NVIKAGSBRSIMAX-UHFFFAOYSA-N 1 0 372.538 2.817 20 10 FFCDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(C)n1-c1ccccc1C ZINC000842321840 977300250 /nfs/dbraw/zinc/30/02/50/977300250.db2.gz ITSSOPSINVDIJJ-UHFFFAOYSA-N 1 0 368.525 2.722 20 10 FFCDRO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[N@@H+]1C ZINC000843808778 977302315 /nfs/dbraw/zinc/30/23/15/977302315.db2.gz QXTVKBRALNSQFJ-JKIFEVAISA-N 1 0 367.440 2.713 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1cccc(F)c1 ZINC000796582454 1014402468 /nfs/dbraw/zinc/40/24/68/1014402468.db2.gz YGTZQVRZYDSBCD-HXUWFJFHSA-N 1 0 357.429 2.613 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000245647004 977678172 /nfs/dbraw/zinc/67/81/72/977678172.db2.gz GBOHXNGUJGGGIX-REPLKXPHSA-N 1 0 361.530 2.753 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCOC1 ZINC000876945841 1014428347 /nfs/dbraw/zinc/42/83/47/1014428347.db2.gz KESSFWFPGWFUCV-JTWUUNPKSA-N 1 0 366.477 2.580 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@]3(O)CCCc4ccccc43)cc2)CC1 ZINC000877028303 1014454784 /nfs/dbraw/zinc/45/47/84/1014454784.db2.gz UWSGNNIGRTYIMH-HSZRJFAPSA-N 1 0 366.505 2.961 20 10 FFCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000729305901 978234731 /nfs/dbraw/zinc/23/47/31/978234731.db2.gz QRUSFMLZHRSJIW-NRFANRHFSA-N 1 0 373.541 2.992 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c(O)c1OC ZINC000894224624 978322037 /nfs/dbraw/zinc/32/20/37/978322037.db2.gz XJMPPLXLZFZMAI-ZBFHGGJFSA-N 1 0 362.470 2.680 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C(F)(F)F)n1 ZINC000877115417 1014478963 /nfs/dbraw/zinc/47/89/63/1014478963.db2.gz FHJJXWRLERICNO-UHFFFAOYSA-N 1 0 368.403 2.690 20 10 FFCDRO CC(C)([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)NCC1CCCC1 ZINC000877117150 1014479192 /nfs/dbraw/zinc/47/91/92/1014479192.db2.gz KQWGNLYANNNEGC-UHFFFAOYSA-N 1 0 373.541 2.822 20 10 FFCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(N)=O ZINC000877560040 1014627578 /nfs/dbraw/zinc/62/75/78/1014627578.db2.gz DUMGAZXWDNKRPQ-SFHVURJKSA-N 1 0 373.541 2.761 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@]12CCCO2 ZINC000877598407 1014639847 /nfs/dbraw/zinc/63/98/47/1014639847.db2.gz NRPISBJDZPJAPC-LLUDDFSJSA-N 1 0 360.498 2.838 20 10 FFCDRO CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001272043825 980588970 /nfs/dbraw/zinc/58/89/70/980588970.db2.gz LNGAMJCEBSAFPZ-AWEZNQCLSA-N 1 0 362.470 2.778 20 10 FFCDRO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000906420550 980654906 /nfs/dbraw/zinc/65/49/06/980654906.db2.gz UBYJKTZWYGEOKH-KRWDZBQOSA-N 1 0 359.514 2.965 20 10 FFCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877697456 1014691013 /nfs/dbraw/zinc/69/10/13/1014691013.db2.gz NEJWJNRSZCYCFD-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO O=C(N1CCCCC1)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000026248380 980994219 /nfs/dbraw/zinc/99/42/19/980994219.db2.gz RWDSRKCLKTWKMT-UHFFFAOYSA-N 1 0 354.454 2.664 20 10 FFCDRO C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000906661133 981123506 /nfs/dbraw/zinc/12/35/06/981123506.db2.gz OWCCUSXSFTTWNN-AWEZNQCLSA-N 1 0 368.481 2.762 20 10 FFCDRO CCOc1ccc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)c(O)c1 ZINC000828035204 981510142 /nfs/dbraw/zinc/51/01/42/981510142.db2.gz CLNHQJDHODWHJX-UHFFFAOYSA-N 1 0 373.453 2.841 20 10 FFCDRO NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142530387 982612469 /nfs/dbraw/zinc/61/24/69/982612469.db2.gz GVSZUCNUFFMYRA-HNNXBMFYSA-N 1 0 362.376 2.813 20 10 FFCDRO COCc1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000878179844 1014903837 /nfs/dbraw/zinc/90/38/37/1014903837.db2.gz RITNMRCNVFLDCR-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000164293700 984347580 /nfs/dbraw/zinc/34/75/80/984347580.db2.gz SWTDRXYUAMFHMD-QGZVFWFLSA-N 1 0 359.514 2.574 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164408491 984365529 /nfs/dbraw/zinc/36/55/29/984365529.db2.gz XXEXMJWQSWZZPQ-MRXNPFEDSA-N 1 0 362.514 2.852 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000045126731 984405543 /nfs/dbraw/zinc/40/55/43/984405543.db2.gz YIKOYCUXMXHJNJ-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000056864923 984465175 /nfs/dbraw/zinc/46/51/75/984465175.db2.gz VZRQFYSGKSGXHP-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000765625900 985239657 /nfs/dbraw/zinc/23/96/57/985239657.db2.gz JWEPCFWXCYGZDJ-PXNSSMCTSA-N 1 0 360.546 2.736 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765733834 985403232 /nfs/dbraw/zinc/40/32/32/985403232.db2.gz ZYOSSLQQXYYGOY-AVRDEDQJSA-N 1 0 370.493 2.752 20 10 FFCDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000063695587 986016026 /nfs/dbraw/zinc/01/60/26/986016026.db2.gz XVALMFGXUOQOFO-UHFFFAOYSA-N 1 0 374.916 2.725 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000174607204 986262332 /nfs/dbraw/zinc/26/23/32/986262332.db2.gz FJOOAAIAFFVLQZ-VQIMIIECSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000174607216 986262352 /nfs/dbraw/zinc/26/23/52/986262352.db2.gz FJOOAAIAFFVLQZ-QFBILLFUSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000174651856 986411128 /nfs/dbraw/zinc/41/11/28/986411128.db2.gz XEJUUVATPDLTJU-UHFFFAOYSA-N 1 0 369.465 2.855 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000999745155 986613728 /nfs/dbraw/zinc/61/37/28/986613728.db2.gz LRZYQORYVWJETN-VNYTWHDVSA-N 1 0 372.509 2.899 20 10 FFCDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978833 988265445 /nfs/dbraw/zinc/26/54/45/988265445.db2.gz PUQMSPDUNDPJON-IERDGZPVSA-N 1 0 370.518 2.945 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)C)CC2)cc1 ZINC000193574422 988639547 /nfs/dbraw/zinc/63/95/47/988639547.db2.gz NAESNWQFPDTQFI-UHFFFAOYSA-N 1 0 362.518 2.553 20 10 FFCDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922542649 988687590 /nfs/dbraw/zinc/68/75/90/988687590.db2.gz YGYLAOBIZAYLOB-FQEVSTJZSA-N 1 0 354.494 2.731 20 10 FFCDRO Cc1cc(CCNC(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000916220807 989761854 /nfs/dbraw/zinc/76/18/54/989761854.db2.gz BYYHZHKIQKSYSL-UHFFFAOYSA-N 1 0 354.498 2.984 20 10 FFCDRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000702227786 989937886 /nfs/dbraw/zinc/93/78/86/989937886.db2.gz NYTGDIACLRJHMI-VQTJNVASSA-N 1 0 351.494 2.785 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702604882 990009681 /nfs/dbraw/zinc/00/96/81/990009681.db2.gz ZZTRKCLVZWJFPC-IERDGZPVSA-N 1 0 356.466 2.688 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000917020592 990095340 /nfs/dbraw/zinc/09/53/40/990095340.db2.gz SYLAHBCYVZLTMF-FQEVSTJZSA-N 1 0 362.420 2.967 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1OC ZINC000763441217 990696213 /nfs/dbraw/zinc/69/62/13/990696213.db2.gz FEKZCYLUAIOITP-JXFKEZNVSA-N 1 0 361.413 2.804 20 10 FFCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000919945794 990767611 /nfs/dbraw/zinc/76/76/11/990767611.db2.gz OXIHENHESFIKPA-UHFFFAOYSA-N 1 0 369.450 2.643 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000920182152 990810002 /nfs/dbraw/zinc/81/00/02/990810002.db2.gz JXLWNIIRVUATQK-IBGZPJMESA-N 1 0 358.457 2.603 20 10 FFCDRO CCn1c2nnc(C[NH2+][C@H](C)c3ccccc3O)n2c2ccccc2c1=O ZINC000879648528 1015625505 /nfs/dbraw/zinc/62/55/05/1015625505.db2.gz SHSAVPKUBGSYHJ-CYBMUJFWSA-N 1 0 363.421 2.621 20 10 FFCDRO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000879649320 1015625669 /nfs/dbraw/zinc/62/56/69/1015625669.db2.gz QITKRGRKFNPPME-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000879652492 1015626968 /nfs/dbraw/zinc/62/69/68/1015626968.db2.gz FBFQPBKLVPRKOP-AWEZNQCLSA-N 1 0 370.449 2.645 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@H](C)c1ccccc1)cc2=O ZINC000181533880 991796593 /nfs/dbraw/zinc/79/65/93/991796593.db2.gz OMMNYXGZSLQBQV-UONOGXRCSA-N 1 0 368.437 2.893 20 10 FFCDRO c1ccc(C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000181925129 991925981 /nfs/dbraw/zinc/92/59/81/991925981.db2.gz ZNSISVPUNIEMON-QFIPXVFZSA-N 1 0 352.478 2.967 20 10 FFCDRO CCOc1cc(NC2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)ncn1 ZINC000184963833 993090475 /nfs/dbraw/zinc/09/04/75/993090475.db2.gz CKVPWIUDCQWFCU-UHFFFAOYSA-N 1 0 372.469 2.974 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)nc1C1CC1 ZINC000809758908 994605289 /nfs/dbraw/zinc/60/52/89/994605289.db2.gz XLKZRHWMVRQTIO-UHFFFAOYSA-N 1 0 372.421 2.758 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCCO3)C[C@H]2C)cc1C ZINC001082431604 994610502 /nfs/dbraw/zinc/61/05/02/994610502.db2.gz LFIVQSRQGZORIS-NZSAHSFTSA-N 1 0 360.498 2.899 20 10 FFCDRO CN(C)c1ccc([C@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[NH+](C)C)cc1 ZINC000903448290 1015897642 /nfs/dbraw/zinc/89/76/42/1015897642.db2.gz MSXMFOBURKADBF-VQTJNVASSA-N 1 0 364.497 2.853 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3onc(C)c3C)C[C@H]2C)cc1C ZINC001082582620 994988115 /nfs/dbraw/zinc/98/81/15/994988115.db2.gz MAAUJOKNBKCCOC-CXAGYDPISA-N 1 0 357.454 2.859 20 10 FFCDRO CCc1ncoc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082729679 995372655 /nfs/dbraw/zinc/37/26/55/995372655.db2.gz UKNPEMASAFFVTI-RHSMWYFYSA-N 1 0 357.454 2.804 20 10 FFCDRO Fc1cc(C[NH2+]CCN2CCc3ccccc32)ccc1N1CCOCC1 ZINC000727469279 995832589 /nfs/dbraw/zinc/83/25/89/995832589.db2.gz ZYKWEQARRORZKD-UHFFFAOYSA-N 1 0 355.457 2.815 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000824086446 996792391 /nfs/dbraw/zinc/79/23/91/996792391.db2.gz VUSXADUNTRTWJY-ROUUACIJSA-N 1 0 357.498 2.580 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1 ZINC000824136869 996799039 /nfs/dbraw/zinc/79/90/39/996799039.db2.gz YZMBADDZHMQMII-UHFFFAOYSA-N 1 0 369.494 2.627 20 10 FFCDRO Cn1ccnc1[C@@H]1N(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000824620311 997034728 /nfs/dbraw/zinc/03/47/28/997034728.db2.gz JHRXMMKVWJIUAB-IBGZPJMESA-N 1 0 353.514 2.755 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)C2)cc1 ZINC000824692743 997057680 /nfs/dbraw/zinc/05/76/80/997057680.db2.gz HLHJMPMBQWOPEC-FXAWDEMLSA-N 1 0 374.529 2.503 20 10 FFCDRO CC(C)n1cc(C2=CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)nn1 ZINC000824738109 997060567 /nfs/dbraw/zinc/06/05/67/997060567.db2.gz IEPMSFXZGDCLDC-UHFFFAOYSA-N 1 0 356.426 2.973 20 10 FFCDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC001136929106 997071462 /nfs/dbraw/zinc/07/14/62/997071462.db2.gz JKENRSILPCYAOB-LIRRHRJNSA-N 1 0 360.479 2.901 20 10 FFCDRO CN(c1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1)C1CCCCC1 ZINC000844177577 997696922 /nfs/dbraw/zinc/69/69/22/997696922.db2.gz LCVJPNRLGUNXKD-FQEVSTJZSA-N 1 0 359.514 2.840 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c(O)c1 ZINC000826893851 1016167590 /nfs/dbraw/zinc/16/75/90/1016167590.db2.gz CRQDUOUSRMFNOH-IRLDBZIGSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)cc1OC ZINC000844743436 998110844 /nfs/dbraw/zinc/11/08/44/998110844.db2.gz XOHUIVPMMYDLLK-SFHVURJKSA-N 1 0 356.466 2.768 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000845023349 998300313 /nfs/dbraw/zinc/30/03/13/998300313.db2.gz TUPDSZLASZYVGH-AEFFLSMTSA-N 1 0 362.518 2.646 20 10 FFCDRO Oc1ccc(Br)cc1CNc1cc(N2CCOCC2)cc[nH+]1 ZINC001171174681 998487523 /nfs/dbraw/zinc/48/75/23/998487523.db2.gz YRKPJTMGQLFRMZ-UHFFFAOYSA-N 1 0 364.243 2.998 20 10 FFCDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)CC2=O)s1 ZINC001144508663 998610173 /nfs/dbraw/zinc/61/01/73/998610173.db2.gz UURDJMBVMKLMGW-LJQANCHMSA-N 1 0 374.462 2.802 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516091 998627253 /nfs/dbraw/zinc/62/72/53/998627253.db2.gz PAAQLCJRVOXJDF-SFHVURJKSA-N 1 0 352.431 2.540 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)cc1F ZINC000733324185 998962124 /nfs/dbraw/zinc/96/21/24/998962124.db2.gz MBUAKIITEWANPX-UHFFFAOYSA-N 1 0 374.479 2.943 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000734064781 999188717 /nfs/dbraw/zinc/18/87/17/999188717.db2.gz LBDOIKAPMNGIRD-GOSISDBHSA-N 1 0 363.502 2.957 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]cnc2C)cc1C ZINC001085441652 999534618 /nfs/dbraw/zinc/53/46/18/999534618.db2.gz JGVNPKGXFVDIHS-IAGOWNOFSA-N 1 0 356.470 2.866 20 10 FFCDRO COc1cc(C)nc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000738181135 999622849 /nfs/dbraw/zinc/62/28/49/999622849.db2.gz IPCPFJZZHOBCIO-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C ZINC000740007007 999657075 /nfs/dbraw/zinc/65/70/75/999657075.db2.gz PYXLVVVKJWQSKC-SFTDATJTSA-N 1 0 354.494 2.976 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC(C)(C)CC3)CC2)cc1 ZINC000741804773 999744980 /nfs/dbraw/zinc/74/49/80/999744980.db2.gz LNDURNUKJHGZSX-UHFFFAOYSA-N 1 0 359.514 2.856 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1C ZINC000742366430 999770915 /nfs/dbraw/zinc/77/09/15/999770915.db2.gz DXFJFMNWIFDMHM-UHFFFAOYSA-N 1 0 359.470 2.743 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000742391451 999771545 /nfs/dbraw/zinc/77/15/45/999771545.db2.gz ISWXKYGSGYPBPL-DNVCBOLYSA-N 1 0 355.486 2.550 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000743564204 999823502 /nfs/dbraw/zinc/82/35/02/999823502.db2.gz FXXOEXZRVJQBKW-XLIONFOSSA-N 1 0 374.529 2.710 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1F ZINC000742373528 1000153646 /nfs/dbraw/zinc/15/36/46/1000153646.db2.gz YVBUGMKBNAMYFK-QGZVFWFLSA-N 1 0 371.456 2.661 20 10 FFCDRO COCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000768235908 1000199891 /nfs/dbraw/zinc/19/98/91/1000199891.db2.gz DQYOBGXOZBIMCG-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO C[C@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640698 1016393481 /nfs/dbraw/zinc/39/34/81/1016393481.db2.gz FKNNRWQTTHGKBE-MWNCTCPHSA-N 1 0 361.421 2.932 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cccc(OC)c3O)C2=O)cc1 ZINC000846151801 1000210455 /nfs/dbraw/zinc/21/04/55/1000210455.db2.gz HJBZSTXAPQJDBN-RDTXWAMCSA-N 1 0 370.449 2.861 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)ccc21 ZINC000846682739 1000408395 /nfs/dbraw/zinc/40/83/95/1000408395.db2.gz LRZKLVQNYQBTRE-NRFANRHFSA-N 1 0 355.482 2.873 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000846697298 1000412686 /nfs/dbraw/zinc/41/26/86/1000412686.db2.gz NBFZTBSPIFETAE-UHFFFAOYSA-N 1 0 367.493 2.592 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](CC)CN1C(C)=O ZINC000769499100 1000534871 /nfs/dbraw/zinc/53/48/71/1000534871.db2.gz WQQZPAZNKNRLNI-WOJBJXKFSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCn2cccn2)C1 ZINC000769664110 1000571929 /nfs/dbraw/zinc/57/19/29/1000571929.db2.gz WTHZMWGGLPWKHV-UHFFFAOYSA-N 1 0 366.465 2.848 20 10 FFCDRO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CCN2C1=O ZINC000770293508 1000737499 /nfs/dbraw/zinc/73/74/99/1000737499.db2.gz XSLKTWLEQUPZJS-SFHVURJKSA-N 1 0 365.433 2.528 20 10 FFCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000770651429 1000880813 /nfs/dbraw/zinc/88/08/13/1000880813.db2.gz MVGOTDNYCLMQHZ-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3\SC(N4CCCCC4)=NC3=O)cc2)CC1 ZINC000771521122 1001135683 /nfs/dbraw/zinc/13/56/83/1001135683.db2.gz QBSZFFWMZQFPBR-SDXDJHTJSA-N 1 0 370.522 2.895 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc4c(cc3O)OCO4)c2)CC1 ZINC000771635243 1001175694 /nfs/dbraw/zinc/17/56/94/1001175694.db2.gz FJONZDMVSLQIJY-UHFFFAOYSA-N 1 0 369.421 2.515 20 10 FFCDRO COc1ccc2c(c1)CCCN2CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000771754135 1001196734 /nfs/dbraw/zinc/19/67/34/1001196734.db2.gz QTHSRYNJHAYJMI-OAQYLSRUSA-N 1 0 367.493 2.867 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000771869924 1001224298 /nfs/dbraw/zinc/22/42/98/1001224298.db2.gz XQGLMHZJKJCXDA-CQSZACIVSA-N 1 0 357.406 2.860 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000771869923 1001224421 /nfs/dbraw/zinc/22/44/21/1001224421.db2.gz XQGLMHZJKJCXDA-AWEZNQCLSA-N 1 0 357.406 2.860 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)cc1 ZINC000788506502 1001815211 /nfs/dbraw/zinc/81/52/11/1001815211.db2.gz MEXGTLUGUYHRCM-WIYYLYMNSA-N 1 0 361.530 2.755 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000788562685 1001821163 /nfs/dbraw/zinc/82/11/63/1001821163.db2.gz HBNBIQYHQDNHBO-HUUCEWRRSA-N 1 0 359.422 2.828 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000774483880 1001926101 /nfs/dbraw/zinc/92/61/01/1001926101.db2.gz QCYQYUATLLGAAI-LSDHHAIUSA-N 1 0 366.465 2.777 20 10 FFCDRO C=C/C(C)=C\CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000789946405 1002236394 /nfs/dbraw/zinc/23/63/94/1002236394.db2.gz HACOHOGJQJMTJS-FXBPXSCXSA-N 1 0 357.498 2.846 20 10 FFCDRO C[NH+](C)CCCCC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001184059521 1002484452 /nfs/dbraw/zinc/48/44/52/1002484452.db2.gz JCJYYYLXCYPKFC-UHFFFAOYSA-N 1 0 365.433 2.715 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000746982633 1002588082 /nfs/dbraw/zinc/58/80/82/1002588082.db2.gz FUKVFSZJJDETCQ-UHFFFAOYSA-N 1 0 356.514 2.839 20 10 FFCDRO O=C(NCc1ccccc1O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792055803 1002893984 /nfs/dbraw/zinc/89/39/84/1002893984.db2.gz AYWRAAYJGFKQSX-UHFFFAOYSA-N 1 0 371.403 2.997 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cc(C)nn3C)CC2)cc1 ZINC000793519483 1003399159 /nfs/dbraw/zinc/39/91/59/1003399159.db2.gz RLFRONIQTUMLSZ-GOSISDBHSA-N 1 0 371.529 2.600 20 10 FFCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C)C1 ZINC000793586258 1003432030 /nfs/dbraw/zinc/43/20/30/1003432030.db2.gz HNAYQHRCPNJQQE-ROUUACIJSA-N 1 0 370.493 2.858 20 10 FFCDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793601648 1003437864 /nfs/dbraw/zinc/43/78/64/1003437864.db2.gz QHSMQJJHAQLLFZ-MRXNPFEDSA-N 1 0 363.502 2.916 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)cc1OC ZINC000793620969 1003446573 /nfs/dbraw/zinc/44/65/73/1003446573.db2.gz VFHYJTJMJWLKAN-GOSISDBHSA-N 1 0 356.466 2.768 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccc(O)c3)CC2)cc1 ZINC000102560394 1003904564 /nfs/dbraw/zinc/90/45/64/1003904564.db2.gz TYPKYWPQTXLEPE-UHFFFAOYSA-N 1 0 355.482 2.703 20 10 FFCDRO CC[NH+](CC)CCCNC(=S)NCc1ccc(Br)cc1O ZINC001196711462 1003923013 /nfs/dbraw/zinc/92/30/13/1003923013.db2.gz GLACZFUWEIOLJO-UHFFFAOYSA-N 1 0 374.348 2.851 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000775548740 1004289163 /nfs/dbraw/zinc/28/91/63/1004289163.db2.gz JMOCHYQSFILIIH-FQEVSTJZSA-N 1 0 371.529 2.822 20 10 FFCDRO C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000806614218 1004371631 /nfs/dbraw/zinc/37/16/31/1004371631.db2.gz NAHMTTIZUFFGCJ-IEBWSBKVSA-N 1 0 359.514 2.965 20 10 FFCDRO Cc1cccc(C)c1S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001194661273 1004788896 /nfs/dbraw/zinc/78/88/96/1004788896.db2.gz ZDGORSZTCSTZHI-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO CCOC(=O)CN(CC[NH3+])C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195279115 1004929888 /nfs/dbraw/zinc/92/98/88/1004929888.db2.gz MTHPGURPQOFHDG-QURGRASLSA-N 1 0 370.409 2.772 20 10 FFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000105228442 1005009857 /nfs/dbraw/zinc/00/98/57/1005009857.db2.gz DDJPAQGKGWZZIE-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO CC(C)C([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000776027919 1005045329 /nfs/dbraw/zinc/04/53/29/1005045329.db2.gz KFPXOLYANIXCIL-UHFFFAOYSA-N 1 0 365.493 2.549 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000107333706 1005416744 /nfs/dbraw/zinc/41/67/44/1005416744.db2.gz GSCRHADXBZSTHT-QGZVFWFLSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])C2)cc1 ZINC000850345880 1005808991 /nfs/dbraw/zinc/80/89/91/1005808991.db2.gz MXBSOZJNRKYWGF-AWEZNQCLSA-N 1 0 373.409 2.686 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)ccc1N1CCOCC1 ZINC000850345134 1005809018 /nfs/dbraw/zinc/80/90/18/1005809018.db2.gz LHNVYSKYNLJOKU-UHFFFAOYSA-N 1 0 370.350 2.761 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000850405607 1005813527 /nfs/dbraw/zinc/81/35/27/1005813527.db2.gz WRSGHZNHKRALTK-UHFFFAOYSA-N 1 0 356.466 2.955 20 10 FFCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850406219 1005813684 /nfs/dbraw/zinc/81/36/84/1005813684.db2.gz XTJDOKUGKLPLDR-UHFFFAOYSA-N 1 0 373.541 2.774 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000850482781 1005817928 /nfs/dbraw/zinc/81/79/28/1005817928.db2.gz RFPIMJIBIHOMDS-AEFFLSMTSA-N 1 0 359.466 2.980 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)CC1 ZINC000850505920 1005819411 /nfs/dbraw/zinc/81/94/11/1005819411.db2.gz DBJFJQUOPYXUOH-UHFFFAOYSA-N 1 0 370.518 2.957 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c1 ZINC000850556112 1005822203 /nfs/dbraw/zinc/82/22/03/1005822203.db2.gz QWRYGJBNUJJQFA-GCJKJVERSA-N 1 0 370.493 2.615 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)cc1 ZINC000851629391 1005900860 /nfs/dbraw/zinc/90/08/60/1005900860.db2.gz INSVXPRBYKGCNS-HXUWFJFHSA-N 1 0 351.450 2.578 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000852412394 1006013756 /nfs/dbraw/zinc/01/37/56/1006013756.db2.gz SSPVTWWCLGEKNQ-SFHVURJKSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)F ZINC000881279093 1006027869 /nfs/dbraw/zinc/02/78/69/1006027869.db2.gz PMWUFLWWLMXAID-CQSZACIVSA-N 1 0 366.456 2.671 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000852869179 1006213332 /nfs/dbraw/zinc/21/33/32/1006213332.db2.gz YGPWGVZRKAKKBW-KKSFZXQISA-N 1 0 367.493 2.600 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000852869176 1006213576 /nfs/dbraw/zinc/21/35/76/1006213576.db2.gz YGPWGVZRKAKKBW-HRAATJIYSA-N 1 0 367.493 2.600 20 10 FFCDRO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000853411469 1006387170 /nfs/dbraw/zinc/38/71/70/1006387170.db2.gz HGRPBLACQBXUKX-HXUWFJFHSA-N 1 0 374.529 2.539 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000111511255 1006507144 /nfs/dbraw/zinc/50/71/44/1006507144.db2.gz LRXUHOWDNDAYSD-IBGZPJMESA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CC(N)=O)c3ccccc3)CC2)cc1 ZINC000815153184 1006521262 /nfs/dbraw/zinc/52/12/62/1006521262.db2.gz DILVTGHDACBLIK-HXUWFJFHSA-N 1 0 353.466 2.870 20 10 FFCDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000815145256 1006531013 /nfs/dbraw/zinc/53/10/13/1006531013.db2.gz QPRQUBCCBQSYGJ-SFHVURJKSA-N 1 0 362.474 2.835 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882964802 1006579233 /nfs/dbraw/zinc/57/92/33/1006579233.db2.gz OGAGHKOGKOPOCJ-FNORWQNLSA-N 1 0 359.426 2.846 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1 ZINC000815625786 1006718599 /nfs/dbraw/zinc/71/85/99/1006718599.db2.gz MGECQTVYUYTGQL-OOKSDGMUSA-N 1 0 359.514 2.743 20 10 FFCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775203508 1006749190 /nfs/dbraw/zinc/74/91/90/1006749190.db2.gz LJGFTMLYAWDLOZ-FPOVZHCZSA-N 1 0 362.514 2.523 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000854301615 1006767288 /nfs/dbraw/zinc/76/72/88/1006767288.db2.gz QRXMHUXBZBNJRZ-MJGOQNOKSA-N 1 0 372.513 2.544 20 10 FFCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1N ZINC000883576158 1006882128 /nfs/dbraw/zinc/88/21/28/1006882128.db2.gz ADCYWWNKIXFSLV-UHFFFAOYSA-N 1 0 353.470 2.651 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000748051903 1006946429 /nfs/dbraw/zinc/94/64/29/1006946429.db2.gz WUQYZAPXFSVCIW-HDICACEKSA-N 1 0 373.541 2.631 20 10 FFCDRO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccccc1 ZINC000854742532 1006969812 /nfs/dbraw/zinc/96/98/12/1006969812.db2.gz DYTAOPJGIPRJIP-HXUWFJFHSA-N 1 0 369.509 2.600 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC3CC(F)(F)C3)cc2)CC1 ZINC000883736897 1006977514 /nfs/dbraw/zinc/97/75/14/1006977514.db2.gz ODECEQLSMFONPN-UHFFFAOYSA-N 1 0 366.456 2.673 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)(F)F ZINC000883746021 1006980384 /nfs/dbraw/zinc/98/03/84/1006980384.db2.gz VEYBRUNZPBNRRV-AWEZNQCLSA-N 1 0 372.435 2.826 20 10 FFCDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255831 1007110836 /nfs/dbraw/zinc/11/08/36/1007110836.db2.gz RLQPUXBWCGCOFN-PKOBYXMFSA-N 1 0 359.514 2.965 20 10 FFCDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258561 1007127801 /nfs/dbraw/zinc/12/78/01/1007127801.db2.gz DYARONAZRIVOHG-GHTZIAJQSA-N 1 0 370.493 2.922 20 10 FFCDRO Cn1nc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000775318417 1007264407 /nfs/dbraw/zinc/26/44/07/1007264407.db2.gz HPPYOMFDDAZLTE-UHFFFAOYSA-N 1 0 368.456 2.881 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)cnn3C)C2)cc1C ZINC001086779330 1007354590 /nfs/dbraw/zinc/35/45/90/1007354590.db2.gz HVGQNWNMTDKVNT-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC3CCC([NH+](C)C)CC3)CC2)cc1 ZINC000817179000 1007457017 /nfs/dbraw/zinc/45/70/17/1007457017.db2.gz UDYPREVEVZBSTK-UHFFFAOYSA-N 1 0 374.529 2.836 20 10 FFCDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(I)c2[O-])CC1 ZINC001206326127 1032229790 /nfs/dbraw/zinc/22/97/90/1032229790.db2.gz KLRVQKPORPWEKP-HNNXBMFYSA-N 1 0 374.266 2.948 20 10 FFCDRO CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000775375172 1007598178 /nfs/dbraw/zinc/59/81/78/1007598178.db2.gz JEWUIQUOECZPBT-ZDUSSCGKSA-N 1 0 372.421 2.867 20 10 FFCDRO COc1cc(Br)cc(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206344042 1032243922 /nfs/dbraw/zinc/24/39/22/1032243922.db2.gz LUHQSWMMXUJGOP-OAHLLOKOSA-N 1 0 361.255 2.816 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)cc1C ZINC001086806857 1007639265 /nfs/dbraw/zinc/63/92/65/1007639265.db2.gz SEOVOMSZPGJTBS-GBYFWLHCSA-N 1 0 360.498 2.803 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000856256196 1007739750 /nfs/dbraw/zinc/73/97/50/1007739750.db2.gz UESKSQSUHVVLFE-OAQYLSRUSA-N 1 0 367.493 2.765 20 10 FFCDRO CC(C)(CC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817876720 1007793985 /nfs/dbraw/zinc/79/39/85/1007793985.db2.gz UHFZIAJQSIQHHQ-ZDUSSCGKSA-N 1 0 370.444 2.683 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000817938468 1007819245 /nfs/dbraw/zinc/81/92/45/1007819245.db2.gz LBQMHNTZPVBKGH-LIRRHRJNSA-N 1 0 352.482 2.988 20 10 FFCDRO CC(=O)N1CCN(c2cccc(NC(=O)c3ccc([C@H](C)[NH3+])cc3)c2)CC1 ZINC000817998944 1007830679 /nfs/dbraw/zinc/83/06/79/1007830679.db2.gz MJBROTYAUXDONE-HNNXBMFYSA-N 1 0 366.465 2.627 20 10 FFCDRO Oc1c(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)ccc2ccccc21 ZINC000856535906 1007875215 /nfs/dbraw/zinc/87/52/15/1007875215.db2.gz JEFWHVSZRFWUTM-RBUKOAKNSA-N 1 0 361.445 2.896 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000818221791 1007887766 /nfs/dbraw/zinc/88/77/66/1007887766.db2.gz UECOCFBEWVFBIU-GOSISDBHSA-N 1 0 363.465 2.892 20 10 FFCDRO C[C@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168014 1008055473 /nfs/dbraw/zinc/05/54/73/1008055473.db2.gz KWMWRZBHLULHAJ-CVEARBPZSA-N 1 0 371.481 2.809 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3cccc(C)c3)CC2)cc1 ZINC000819388820 1008132261 /nfs/dbraw/zinc/13/22/61/1008132261.db2.gz DIAXTHPPIRNDAW-HXUWFJFHSA-N 1 0 355.482 2.599 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)CCN(C)c3cc[nH+]cc3)C2)cc1 ZINC000819587398 1008184890 /nfs/dbraw/zinc/18/48/90/1008184890.db2.gz ZAZACCIVOGREGP-QGZVFWFLSA-N 1 0 368.481 2.559 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858306726 1008342870 /nfs/dbraw/zinc/34/28/70/1008342870.db2.gz PSCLYFGUGQTCJE-SIAOZKNOSA-N 1 0 366.509 2.651 20 10 FFCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000858319809 1008345710 /nfs/dbraw/zinc/34/57/10/1008345710.db2.gz RIOURFJTWQAJAV-INIZCTEOSA-N 1 0 353.466 2.747 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000858341555 1008348041 /nfs/dbraw/zinc/34/80/41/1008348041.db2.gz CDFNNKGDWKVLHY-KRWDZBQOSA-N 1 0 372.469 2.828 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1O ZINC000858468305 1008365061 /nfs/dbraw/zinc/36/50/61/1008365061.db2.gz CSSQWDORINGDBE-GJZGRUSLSA-N 1 0 373.419 2.792 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000858766911 1008419354 /nfs/dbraw/zinc/41/93/54/1008419354.db2.gz WDCDUGATPQMGTF-LJQANCHMSA-N 1 0 365.477 2.802 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822426567 1008614452 /nfs/dbraw/zinc/61/44/52/1008614452.db2.gz NYIJAGYSFCPXGH-GOEBONIOSA-N 1 0 356.397 2.583 20 10 FFCDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886325027 1008636905 /nfs/dbraw/zinc/63/69/05/1008636905.db2.gz QOTZUXYDVZLMAH-ICSRJNTNSA-N 1 0 359.514 2.826 20 10 FFCDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)O2 ZINC000886341267 1008644673 /nfs/dbraw/zinc/64/46/73/1008644673.db2.gz SFMYXAQAKLMXEN-HRQSHJORSA-N 1 0 360.498 2.585 20 10 FFCDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC1CCC2(CC1)OCCO2 ZINC000822511679 1008663535 /nfs/dbraw/zinc/66/35/35/1008663535.db2.gz LKIDAXZZUALTGQ-UHFFFAOYSA-N 1 0 363.454 2.691 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000822583786 1008701418 /nfs/dbraw/zinc/70/14/18/1008701418.db2.gz VDKXUVJMVQKJJP-KRWDZBQOSA-N 1 0 374.529 2.694 20 10 FFCDRO C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1c([O-])cccc1F ZINC000886522398 1008717452 /nfs/dbraw/zinc/71/74/52/1008717452.db2.gz IGEHUVIQFSFGLG-INIZCTEOSA-N 1 0 373.476 2.574 20 10 FFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000886785150 1008877680 /nfs/dbraw/zinc/87/76/80/1008877680.db2.gz KBXMPRFZPWVKQY-AYBZRNKSSA-N 1 0 366.477 2.755 20 10 FFCDRO COc1ccc(C[NH2+]CC(=O)N(C)C2CCCCC2)cc1Cn1cccn1 ZINC001178185005 1008899298 /nfs/dbraw/zinc/89/92/98/1008899298.db2.gz YKZRNLPURRIUJL-UHFFFAOYSA-N 1 0 370.497 2.821 20 10 FFCDRO Nc1ccc(-n2cc(-c3csc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)n3)nn2)cc1 ZINC000887453900 1009238057 /nfs/dbraw/zinc/23/80/57/1009238057.db2.gz ITLSQCZYONOXDA-RHSMWYFYSA-N 1 0 368.466 2.509 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861583359 1009474939 /nfs/dbraw/zinc/47/49/39/1009474939.db2.gz RZNAZLAOXACYHQ-GOEBONIOSA-N 1 0 372.435 2.730 20 10 FFCDRO Cc1nc2c(cccc2C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC001180179458 1009572698 /nfs/dbraw/zinc/57/26/98/1009572698.db2.gz OLWVLPDZPIPODL-IBGZPJMESA-N 1 0 365.481 2.970 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1)[NH+](C)C ZINC001180862722 1009878615 /nfs/dbraw/zinc/87/86/15/1009878615.db2.gz TWWYGZYQQRORNG-INIZCTEOSA-N 1 0 369.513 2.730 20 10 FFCDRO O=C(NCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000889372952 1009928634 /nfs/dbraw/zinc/92/86/34/1009928634.db2.gz OYJPPZNYRHQQMA-UHFFFAOYSA-N 1 0 372.425 2.698 20 10 FFCDRO C[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670728 1010049350 /nfs/dbraw/zinc/04/93/50/1010049350.db2.gz ZHMYGNUSPHHMQY-QGZVFWFLSA-N 1 0 367.497 2.736 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000863322167 1010174019 /nfs/dbraw/zinc/17/40/19/1010174019.db2.gz OVYGAPCCWHOSBM-LJQANCHMSA-N 1 0 355.482 2.507 20 10 FFCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)cc1F ZINC000863334819 1010182098 /nfs/dbraw/zinc/18/20/98/1010182098.db2.gz IUWYDJTXZXYFDX-UGSOOPFHSA-N 1 0 359.397 2.955 20 10 FFCDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 ZINC000794607869 1010439832 /nfs/dbraw/zinc/43/98/32/1010439832.db2.gz WHIGADRYMYFMDH-FGZHOGPDSA-N 1 0 369.509 2.717 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@H]2C)cc1C ZINC001093672179 1010454131 /nfs/dbraw/zinc/45/41/31/1010454131.db2.gz WDABMAWEZCQEOP-BHIYHBOVSA-N 1 0 360.498 2.614 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cccc(=O)[nH]3)C[C@H]2C)cc1C ZINC001093695815 1010480320 /nfs/dbraw/zinc/48/03/20/1010480320.db2.gz YTOLZQRFAFMKHR-NVXWUHKLSA-N 1 0 369.465 2.602 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ocnc3C)C[C@H]2C)cc1C ZINC001093695793 1010480714 /nfs/dbraw/zinc/48/07/14/1010480714.db2.gz XCHFIOKPDKAXGW-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCc4ncccc43)cc2)C1 ZINC000866238493 1010958927 /nfs/dbraw/zinc/95/89/27/1010958927.db2.gz PEHAWCNFRZIJLK-DYESRHJHSA-N 1 0 364.493 2.951 20 10 FFCDRO C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1O ZINC000868759441 1011459919 /nfs/dbraw/zinc/45/99/19/1011459919.db2.gz JOJBJTMAXOCVDX-OAHLLOKOSA-N 1 0 361.486 2.643 20 10 FFCDRO COCCC[NH+]1CCC2(C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001276320807 1011630233 /nfs/dbraw/zinc/63/02/33/1011630233.db2.gz YUWOTHIBZKOJDA-IBGZPJMESA-N 1 0 359.514 2.507 20 10 FFCDRO COCCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276320147 1011630967 /nfs/dbraw/zinc/63/09/67/1011630967.db2.gz RJOOGYWGOMAOIM-OAQYLSRUSA-N 1 0 359.514 2.746 20 10 FFCDRO CCCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275105118 1011941887 /nfs/dbraw/zinc/94/18/87/1011941887.db2.gz AWDIZKBPGFHKON-OAQYLSRUSA-N 1 0 359.514 2.746 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCN(Cc4cnoc4)C3=O)CC2)c1 ZINC001275239050 1012127220 /nfs/dbraw/zinc/12/72/20/1012127220.db2.gz QFPDMXIAJKDDRS-UHFFFAOYSA-N 1 0 355.438 2.703 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001275254533 1012147890 /nfs/dbraw/zinc/14/78/90/1012147890.db2.gz SJEHXZSEHUMTER-KRWDZBQOSA-N 1 0 372.387 2.778 20 10 FFCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172952364 1012161572 /nfs/dbraw/zinc/16/15/72/1012161572.db2.gz AXVAIQJUHMFAND-GFCCVEGCSA-N 1 0 352.431 2.516 20 10 FFCDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796384286 1012566750 /nfs/dbraw/zinc/56/67/50/1012566750.db2.gz NOFOOENHQRIZIZ-XLIONFOSSA-N 1 0 361.530 2.727 20 10 FFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275597913 1012673846 /nfs/dbraw/zinc/67/38/46/1012673846.db2.gz LFUNEYRRJSRXPE-NRFANRHFSA-N 1 0 359.514 2.746 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2)CC1 ZINC000871202747 1012783430 /nfs/dbraw/zinc/78/34/30/1012783430.db2.gz NCMUBZQYTZDITP-UHFFFAOYSA-N 1 0 351.450 2.690 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(O)cc2O)N1CCC(F)(F)F ZINC001275671626 1012816607 /nfs/dbraw/zinc/81/66/07/1012816607.db2.gz IBRFBFXZEZVMIQ-ZIAGYGMSSA-N 1 0 358.360 2.616 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)cc(O)c1O ZINC001275676902 1012835710 /nfs/dbraw/zinc/83/57/10/1012835710.db2.gz VJDSWOCAEGDJKI-HZPDHXFCSA-N 1 0 360.454 2.614 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1O ZINC001275775799 1012992981 /nfs/dbraw/zinc/99/29/81/1012992981.db2.gz TYYKRRMZJMMICH-NRFANRHFSA-N 1 0 360.498 2.716 20 10 FFCDRO CCC[C@@]12CCCN1C(=O)N(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2=O ZINC000925080184 1017608460 /nfs/dbraw/zinc/60/84/60/1017608460.db2.gz RIZHDYCZAWCSIV-NRFANRHFSA-N 1 0 370.497 2.535 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000827341257 1017672877 /nfs/dbraw/zinc/67/28/77/1017672877.db2.gz ZFZCHDFEZADPEY-LJQANCHMSA-N 1 0 355.486 2.584 20 10 FFCDRO C[C@H]([NH3+])[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000925776460 1017847840 /nfs/dbraw/zinc/84/78/40/1017847840.db2.gz HJWRGOKJFCXJSH-HRAATJIYSA-N 1 0 366.509 2.566 20 10 FFCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926873099 1018276183 /nfs/dbraw/zinc/27/61/83/1018276183.db2.gz KIWIQMPSFLPOSN-VQTJNVASSA-N 1 0 359.514 2.539 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000801575518 1019129968 /nfs/dbraw/zinc/12/99/68/1019129968.db2.gz JKWRJVPAWHNIFA-IBGZPJMESA-N 1 0 367.493 2.694 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000777739235 1019238422 /nfs/dbraw/zinc/23/84/22/1019238422.db2.gz FFSMHWYGLSPNJG-HXUWFJFHSA-N 1 0 359.514 2.602 20 10 FFCDRO CCOC(=O)[C@H]1CC2(CN1Cc1c(O)ccc(F)c1Cl)CC[NH2+]CC2 ZINC001222230582 1032839459 /nfs/dbraw/zinc/83/94/59/1032839459.db2.gz BCXDZRQKSWBVMU-CQSZACIVSA-N 1 0 370.852 2.692 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)c1 ZINC000930216517 1019927489 /nfs/dbraw/zinc/92/74/89/1019927489.db2.gz JQURSOKANGXCOD-HIFRSBDPSA-N 1 0 356.422 2.973 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnn(CC3CC3)c2)[NH+](C)C)cc1 ZINC000930255991 1019949660 /nfs/dbraw/zinc/94/96/60/1019949660.db2.gz QDEYAJVSYPJFGZ-IBGZPJMESA-N 1 0 370.501 2.784 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ncn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000930800565 1020190937 /nfs/dbraw/zinc/19/09/37/1020190937.db2.gz XDXNJIRIUPKPKN-INIZCTEOSA-N 1 0 373.505 2.524 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnn(C)c2C2CC2)[NH+](C)C)cc1 ZINC000930886420 1020226956 /nfs/dbraw/zinc/22/69/56/1020226956.db2.gz LQVWRNCGCICVGX-SFHVURJKSA-N 1 0 370.501 2.788 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCNc1ccc(-c3ccccc3)nn1)OCO2 ZINC000725851104 1020270103 /nfs/dbraw/zinc/27/01/03/1020270103.db2.gz MGLLNCNWLPSCBQ-UHFFFAOYSA-N 1 0 364.405 2.780 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000931263874 1020394398 /nfs/dbraw/zinc/39/43/98/1020394398.db2.gz XBTSUFHPPFYEQE-XUVXKRRUSA-N 1 0 358.482 2.687 20 10 FFCDRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000900404192 1020404473 /nfs/dbraw/zinc/40/44/73/1020404473.db2.gz DKYWJFNHSLXQMJ-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000726163650 1020425875 /nfs/dbraw/zinc/42/58/75/1020425875.db2.gz LNHCANYYZBVKQB-RBUKOAKNSA-N 1 0 367.493 2.996 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)nc2F)[NH+](C)C)cc1 ZINC000931534897 1020507116 /nfs/dbraw/zinc/50/71/16/1020507116.db2.gz ACADWTBDQFOSLL-OAHLLOKOSA-N 1 0 363.412 2.850 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000726985095 1020565339 /nfs/dbraw/zinc/56/53/39/1020565339.db2.gz GQRWIAAVTMUASK-SFHVURJKSA-N 1 0 368.525 2.768 20 10 FFCDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)[C@H]2C1 ZINC000931785459 1020586977 /nfs/dbraw/zinc/58/69/77/1020586977.db2.gz SHWDKLVDBDPDJQ-ZBFHGGJFSA-N 1 0 362.437 2.564 20 10 FFCDRO O=C1c2cccc(O[C@@H]3CCC[NH2+]C[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217951445 1032915202 /nfs/dbraw/zinc/91/52/02/1032915202.db2.gz RQYZUKHCXDENIQ-UKRRQHHQSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218013703 1032952104 /nfs/dbraw/zinc/95/21/04/1032952104.db2.gz CIGXRECXOBLCDP-GDBMZVCRSA-N 1 0 355.365 2.637 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC001116417622 1021208078 /nfs/dbraw/zinc/20/80/78/1021208078.db2.gz LZAPRGGMHXDJHL-IBGZPJMESA-N 1 0 374.456 2.786 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000043862353 1022276583 /nfs/dbraw/zinc/27/65/83/1022276583.db2.gz YKEAXBGJWNNZNZ-UHFFFAOYSA-N 1 0 370.497 2.692 20 10 FFCDRO CC[NH+](CC)C1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC001118607718 1022312375 /nfs/dbraw/zinc/31/23/75/1022312375.db2.gz OBZTVLCYRIFRSY-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO CN(C)c1ccc(CN2C[C@@]3(CC[N@H+](CC(C)(C)C)C3)OCC2=O)cc1 ZINC001276373899 1022554516 /nfs/dbraw/zinc/55/45/16/1022554516.db2.gz KXLBDKLIMNYWEI-NRFANRHFSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000038635233 1022678165 /nfs/dbraw/zinc/67/81/65/1022678165.db2.gz IWKCQKKHULNMBI-LJQANCHMSA-N 1 0 370.453 2.622 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OC ZINC000159849898 1022817747 /nfs/dbraw/zinc/81/77/47/1022817747.db2.gz QKUTVWNJPXWKTP-UHFFFAOYSA-N 1 0 373.409 2.640 20 10 FFCDRO COc1cc(CN2CCN(C(=O)Cc3ccccc3F)CC2)c(O)cc1C ZINC000159963372 1022855122 /nfs/dbraw/zinc/85/51/22/1022855122.db2.gz VUPXNENGAKKCKC-UHFFFAOYSA-N 1 0 372.440 2.735 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(CC)CC3)cc2F)CC1 ZINC000752029590 1023029179 /nfs/dbraw/zinc/02/91/79/1023029179.db2.gz SJLYHNRCINLBME-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO CC[C@@H](C)c1nnc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000752932130 1023227781 /nfs/dbraw/zinc/22/77/81/1023227781.db2.gz ZNAIFQRSBJLLKT-CVEARBPZSA-N 1 0 356.518 2.921 20 10 FFCDRO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218382893 1033129651 /nfs/dbraw/zinc/12/96/51/1033129651.db2.gz DUHZSBFTPSOKDF-SFHVURJKSA-N 1 0 368.437 2.662 20 10 FFCDRO COc1cc(OC)cc(OCCC[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000754047578 1023418878 /nfs/dbraw/zinc/41/88/78/1023418878.db2.gz MOOFPMHNQGPDSW-UHFFFAOYSA-N 1 0 361.394 2.697 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000754369456 1023460777 /nfs/dbraw/zinc/46/07/77/1023460777.db2.gz XGRLQIZSFAXZSS-FUHIMQAGSA-N 1 0 374.529 2.566 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+]C[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218416820 1033146017 /nfs/dbraw/zinc/14/60/17/1033146017.db2.gz UGAXYMKULSODJP-LRDDRELGSA-N 1 0 351.402 2.847 20 10 FFCDRO C[NH+](C)CCSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000755625949 1023616633 /nfs/dbraw/zinc/61/66/33/1023616633.db2.gz IOGCHJNLMDCVAC-UHFFFAOYSA-N 1 0 368.458 2.695 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c2c1c(F)ccc2O ZINC000756524951 1023722654 /nfs/dbraw/zinc/72/26/54/1023722654.db2.gz KUAUJCCFAKJYSZ-VNQPRFMTSA-N 1 0 363.477 2.612 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c2c1c(F)ccc2O ZINC000756731703 1023751106 /nfs/dbraw/zinc/75/11/06/1023751106.db2.gz HYVNDYUXJSDTSJ-XBFCOCLRSA-N 1 0 358.417 2.598 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c2c1c(F)ccc2O ZINC000756837716 1023758093 /nfs/dbraw/zinc/75/80/93/1023758093.db2.gz JBRRMVLJESQKJV-FDRIWYBQSA-N 1 0 358.417 2.597 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c2c1c(F)ccc2O ZINC000757659273 1023843850 /nfs/dbraw/zinc/84/38/50/1023843850.db2.gz ZIDFTDFUUJWXNB-VHDGCEQUSA-N 1 0 372.444 2.594 20 10 FFCDRO CC1(C)C[C@@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218472812 1033171336 /nfs/dbraw/zinc/17/13/36/1033171336.db2.gz UDPLWQUVXPSIPZ-NSHDSACASA-N 1 0 367.401 2.783 20 10 FFCDRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137835617 1033172845 /nfs/dbraw/zinc/17/28/45/1033172845.db2.gz LFBYHBCSIZPFQE-QRWLVFNGSA-N 1 0 372.444 2.581 20 10 FFCDRO O=C1[C@@H]2CCCN(Cc3c(O)cccc3F)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001137838823 1033181606 /nfs/dbraw/zinc/18/16/06/1033181606.db2.gz LFFXEKKPQQNLCU-BEFAXECRSA-N 1 0 368.408 2.681 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000079633700 1024317069 /nfs/dbraw/zinc/31/70/69/1024317069.db2.gz GIGZVAYRVZUSBF-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000085401928 1025194376 /nfs/dbraw/zinc/19/43/76/1025194376.db2.gz ZWUVZFPRUYKGEC-JXFKEZNVSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)c1 ZINC001141146133 1025522345 /nfs/dbraw/zinc/52/23/45/1025522345.db2.gz LUHMRTYNZBHYSU-QGZVFWFLSA-N 1 0 355.438 2.572 20 10 FFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141146450 1025525373 /nfs/dbraw/zinc/52/53/73/1025525373.db2.gz VWCUUZHZLFSMKR-QGZVFWFLSA-N 1 0 369.465 2.962 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(CCN(CC5CC5)C4=O)CC3)ccc21 ZINC001141146441 1025525394 /nfs/dbraw/zinc/52/53/94/1025525394.db2.gz VLBZODNDUOXUNQ-UHFFFAOYSA-N 1 0 369.509 2.740 20 10 FFCDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(O)ccc4O)C3)CC2=O)cc1 ZINC001141158203 1025537733 /nfs/dbraw/zinc/53/77/33/1025537733.db2.gz VXMDFRVVVLWZJE-OAQYLSRUSA-N 1 0 368.433 2.735 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)CN1c1ccc(F)cc1 ZINC001141158340 1025538166 /nfs/dbraw/zinc/53/81/66/1025538166.db2.gz ZVRHLYDPDUZQRO-FQEVSTJZSA-N 1 0 356.397 2.866 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1Cc1ccncc1 ZINC001141159722 1025543386 /nfs/dbraw/zinc/54/33/86/1025543386.db2.gz JAHSKJWWNFHAIW-UHFFFAOYSA-N 1 0 367.449 2.650 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1 ZINC001141159765 1025543464 /nfs/dbraw/zinc/54/34/64/1025543464.db2.gz KKOKTGYFJDGMOL-QWFCFKBJSA-N 1 0 356.422 2.694 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141160508 1025544900 /nfs/dbraw/zinc/54/49/00/1025544900.db2.gz XXJSYLINHSVXTP-NRFANRHFSA-N 1 0 367.449 2.508 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C)n1-c1ccccc1C ZINC001141281195 1025752148 /nfs/dbraw/zinc/75/21/48/1025752148.db2.gz QSZTZZWPMGDRPK-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145822 1026604583 /nfs/dbraw/zinc/60/45/83/1026604583.db2.gz TXZPMEGPGRHHCU-UHFFFAOYSA-N 1 0 370.440 2.870 20 10 FFCDRO Fc1cc(CNC2CC[NH+](CC3CC3)CC2)cc(F)c1N1CCOCC1 ZINC000839146626 1026605267 /nfs/dbraw/zinc/60/52/67/1026605267.db2.gz OUDOZBAUGUHBBY-UHFFFAOYSA-N 1 0 365.468 2.765 20 10 FFCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839507548 1026707275 /nfs/dbraw/zinc/70/72/75/1026707275.db2.gz JJHWAAUFKOGPCH-MRXNPFEDSA-N 1 0 355.482 2.637 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000839538364 1026721315 /nfs/dbraw/zinc/72/13/15/1026721315.db2.gz BDKXFTJILCHRAT-LBPRGKRZSA-N 1 0 358.394 2.809 20 10 FFCDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092754775 1027436950 /nfs/dbraw/zinc/43/69/50/1027436950.db2.gz JOXRBGOMOCEKRH-GOSISDBHSA-N 1 0 373.541 2.896 20 10 FFCDRO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1)N1CCOCC1 ZINC000093014076 1027558632 /nfs/dbraw/zinc/55/86/32/1027558632.db2.gz MANWNQMQMGOLBM-OAQYLSRUSA-N 1 0 371.525 2.890 20 10 FFCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362503 1027702677 /nfs/dbraw/zinc/70/26/77/1027702677.db2.gz ZDDGLKQAOSHNIU-MRXNPFEDSA-N 1 0 354.406 2.748 20 10 FFCDRO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093455440 1027727984 /nfs/dbraw/zinc/72/79/84/1027727984.db2.gz WTABQXGRZDKHHS-NRFANRHFSA-N 1 0 356.441 2.754 20 10 FFCDRO CCOc1cccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000093837813 1027849021 /nfs/dbraw/zinc/84/90/21/1027849021.db2.gz ZWNYQUOBLOOJGN-UHFFFAOYSA-N 1 0 354.406 2.519 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@]12CCCO2 ZINC000781420849 1029202370 /nfs/dbraw/zinc/20/23/70/1029202370.db2.gz MNEABDSDLNOFEA-HBMCJLEFSA-N 1 0 360.498 2.980 20 10 FFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(-c2ccco2)n1 ZINC001156658434 1029293142 /nfs/dbraw/zinc/29/31/42/1029293142.db2.gz CMLIIPNPNPPKDO-UHFFFAOYSA-N 1 0 363.465 2.831 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3ccc(N(C)C)cc3C)C2)nc1 ZINC000840937728 1029934030 /nfs/dbraw/zinc/93/40/30/1029934030.db2.gz VSQDJHGKWLBEOX-UHFFFAOYSA-N 1 0 368.481 2.611 20 10 FFCDRO CN1Cc2c(cccc2NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000840957582 1029943051 /nfs/dbraw/zinc/94/30/51/1029943051.db2.gz LDMCBBNWYATGRS-UHFFFAOYSA-N 1 0 350.466 2.636 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000841012504 1029976121 /nfs/dbraw/zinc/97/61/21/1029976121.db2.gz IHZXUMUFSHFGDS-HNNXBMFYSA-N 1 0 368.481 2.760 20 10 FFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044638 1029997531 /nfs/dbraw/zinc/99/75/31/1029997531.db2.gz DXRHJRQGYHTZBD-INMHGKMJSA-N 1 0 369.456 2.709 20 10 FFCDRO COc1c(O)c(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000841047225 1030002276 /nfs/dbraw/zinc/00/22/76/1030002276.db2.gz MGPPRNPFBJMNNP-LLVKDONJSA-N 1 0 361.373 2.946 20 10 FFCDRO Fc1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)ccc1N1CCOCC1 ZINC000841101566 1030037193 /nfs/dbraw/zinc/03/71/93/1030037193.db2.gz VVAJTNHRVDOKRK-OAQYLSRUSA-N 1 0 355.457 2.809 20 10 FFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841152847 1030077483 /nfs/dbraw/zinc/07/74/83/1030077483.db2.gz VVAGDZMKIDLHAE-KRWDZBQOSA-N 1 0 351.410 2.909 20 10 FFCDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000841162103 1030081637 /nfs/dbraw/zinc/08/16/37/1030081637.db2.gz CYZBYHSXSAAPQX-CQSZACIVSA-N 1 0 351.410 2.848 20 10 FFCDRO [NH3+]CCOc1cccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000841286769 1030159115 /nfs/dbraw/zinc/15/91/15/1030159115.db2.gz CIJWTPXGFCUPLD-UHFFFAOYSA-N 1 0 352.438 2.722 20 10 FFCDRO [NH3+]CC[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000841334469 1030208042 /nfs/dbraw/zinc/20/80/42/1030208042.db2.gz DOQSVIQJTAFLDY-OAHLLOKOSA-N 1 0 371.359 2.977 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCOCC2)ccc1N1CCCCC1 ZINC000783717631 1030251441 /nfs/dbraw/zinc/25/14/41/1030251441.db2.gz LLLADBZNHJYLIL-UHFFFAOYSA-N 1 0 363.458 2.558 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000841720450 1030427106 /nfs/dbraw/zinc/42/71/06/1030427106.db2.gz KMHWBJPGZAHYIP-INIZCTEOSA-N 1 0 372.517 2.572 20 10 FFCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742333 1030440656 /nfs/dbraw/zinc/44/06/56/1030440656.db2.gz WJZYGMDYOMZWNK-LPHOPBHVSA-N 1 0 362.518 2.599 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)ccc21 ZINC000841758524 1030446587 /nfs/dbraw/zinc/44/65/87/1030446587.db2.gz IIBSZAYYRUCWMK-RBUKOAKNSA-N 1 0 356.514 2.600 20 10 FFCDRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000784065482 1030448509 /nfs/dbraw/zinc/44/85/09/1030448509.db2.gz OGBLISWRVQRQHX-INIZCTEOSA-N 1 0 364.367 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC3CCCCC3)C(=O)[O-])cc2)CC1 ZINC000841812530 1030481799 /nfs/dbraw/zinc/48/17/99/1030481799.db2.gz WRRVRGHMMTYDSW-HXUWFJFHSA-N 1 0 359.514 2.952 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000841824125 1030489416 /nfs/dbraw/zinc/48/94/16/1030489416.db2.gz KOPJSIPXSVXHON-IBGZPJMESA-N 1 0 358.530 2.981 20 10 FFCDRO CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841857002 1030506226 /nfs/dbraw/zinc/50/62/26/1030506226.db2.gz VHUKVIXBPJMQNI-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841880787 1030517916 /nfs/dbraw/zinc/51/79/16/1030517916.db2.gz HTSSKOJWEMMPIK-FOIQADDNSA-N 1 0 352.482 3.000 20 10 FFCDRO COc1ccc([C@@H](C[NH3+])CN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000842476297 1030749111 /nfs/dbraw/zinc/74/91/11/1030749111.db2.gz LFXMXZNTDTWKCJ-SFHVURJKSA-N 1 0 355.482 2.568 20 10 FFCDRO O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203552527 1030763763 /nfs/dbraw/zinc/76/37/63/1030763763.db2.gz NGLHIXNGIQINHO-WSTZPKSXSA-N 1 0 358.482 2.678 20 10 FFCDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC001203591590 1030776384 /nfs/dbraw/zinc/77/63/84/1030776384.db2.gz KARVUAHDSRAXPH-UHFFFAOYSA-N 1 0 370.497 2.733 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c(O)c1 ZINC001203622881 1030791783 /nfs/dbraw/zinc/79/17/83/1030791783.db2.gz DLQHGDUTZDCSJJ-NQIIRXRSSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c(O)c1 ZINC001203622900 1030793857 /nfs/dbraw/zinc/79/38/57/1030793857.db2.gz DYJRTOQYXSXSKC-QKNQBKEWSA-N 1 0 370.449 2.997 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c(O)c1 ZINC001203634540 1030797556 /nfs/dbraw/zinc/79/75/56/1030797556.db2.gz KYMZKCLMGCMKSU-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(OC)cc1O ZINC001203634490 1030798385 /nfs/dbraw/zinc/79/83/85/1030798385.db2.gz IXNIRVUTRJSTAN-INIZCTEOSA-N 1 0 353.459 2.971 20 10 FFCDRO COc1ccc(C[NH+]2CCC(Oc3nc(C)cc(OC)n3)CC2)c(O)c1 ZINC001203635156 1030799191 /nfs/dbraw/zinc/79/91/91/1030799191.db2.gz LRYRRUPNRUDQGH-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664161 1030814207 /nfs/dbraw/zinc/81/42/07/1030814207.db2.gz PIMDSSBKLZLWTR-HNNXBMFYSA-N 1 0 354.878 2.941 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2C)C(=O)NC)c1O ZINC000842723241 1030925169 /nfs/dbraw/zinc/92/51/69/1030925169.db2.gz VWYIBMURVIMXIW-QGZVFWFLSA-N 1 0 374.456 2.933 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1O ZINC001203877876 1030953339 /nfs/dbraw/zinc/95/33/39/1030953339.db2.gz YFVGOEXVWDHHTN-SJLPKXTDSA-N 1 0 358.413 2.574 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)cc1 ZINC001203932378 1030993201 /nfs/dbraw/zinc/99/32/01/1030993201.db2.gz ZQWDCXJFZZBYML-UTKZUKDTSA-N 1 0 371.456 2.814 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)cc1 ZINC001203933534 1030993663 /nfs/dbraw/zinc/99/36/63/1030993663.db2.gz OUYPPPNKCFHCLL-UHFFFAOYSA-N 1 0 350.470 2.600 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccc(OC)c(F)c1 ZINC000842879517 1031011242 /nfs/dbraw/zinc/01/12/42/1031011242.db2.gz JAQGKOIPBMEQDK-NVXWUHKLSA-N 1 0 372.440 2.722 20 10 FFCDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843130136 1031196421 /nfs/dbraw/zinc/19/64/21/1031196421.db2.gz YHSVBZPZOKHWNG-NRFANRHFSA-N 1 0 355.457 2.720 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001204272505 1031199088 /nfs/dbraw/zinc/19/90/88/1031199088.db2.gz BZZHYIBESJWPIF-PZJWPPBQSA-N 1 0 370.449 2.943 20 10 FFCDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001204274325 1031200288 /nfs/dbraw/zinc/20/02/88/1031200288.db2.gz NNVFTWFFPRQDEG-LJQANCHMSA-N 1 0 366.461 2.936 20 10 FFCDRO OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001204320990 1031226867 /nfs/dbraw/zinc/22/68/67/1031226867.db2.gz BVOOWZLSNOQKIR-HSZRJFAPSA-N 1 0 365.521 2.966 20 10 FFCDRO COCC[N@H+](Cc1ccc(N2CCCC2)cc1)C1CCN(C(C)=O)CC1 ZINC001204326987 1031229743 /nfs/dbraw/zinc/22/97/43/1031229743.db2.gz KRYPBHLBRLSTIO-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347793 1031243049 /nfs/dbraw/zinc/24/30/49/1031243049.db2.gz CBLBIBXCLJODID-IFXJQAMLSA-N 1 0 351.443 2.514 20 10 FFCDRO COc1cc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc(OC)c1 ZINC000843350879 1031342667 /nfs/dbraw/zinc/34/26/67/1031342667.db2.gz ZZUCLJIWFLZQLV-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO COc1ccc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c(OC)c1 ZINC000843350490 1031345585 /nfs/dbraw/zinc/34/55/85/1031345585.db2.gz SLAUGQHALFGZOW-CQSZACIVSA-N 1 0 369.465 2.942 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2C)cc1 ZINC000843482141 1031421385 /nfs/dbraw/zinc/42/13/85/1031421385.db2.gz HBBZPRKFZYGFLJ-OXJNMPFZSA-N 1 0 353.466 2.927 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)c2C)cc1 ZINC000843482610 1031423209 /nfs/dbraw/zinc/42/32/09/1031423209.db2.gz AVOCSMHDHLOVGA-QGZVFWFLSA-N 1 0 363.408 2.830 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000843507059 1031434302 /nfs/dbraw/zinc/43/43/02/1031434302.db2.gz OYKZFUKQCGGTAH-LIRRHRJNSA-N 1 0 373.884 2.991 20 10 FFCDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000831133518 1033960111 /nfs/dbraw/zinc/96/01/11/1033960111.db2.gz YAGBADUWODDHPN-NRFANRHFSA-N 1 0 362.477 2.831 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000831308046 1034028087 /nfs/dbraw/zinc/02/80/87/1034028087.db2.gz HOUHVNFRIMMCHM-RTBURBONSA-N 1 0 359.514 2.648 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC1(F)F ZINC001138338963 1034168440 /nfs/dbraw/zinc/16/84/40/1034168440.db2.gz XYPBPGMTFYNJTM-HNNXBMFYSA-N 1 0 352.425 2.541 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(C)c2O)C1=O ZINC001277025506 1034169261 /nfs/dbraw/zinc/16/92/61/1034169261.db2.gz DYVMVYOXKJYRMC-HXUWFJFHSA-N 1 0 364.461 2.832 20 10 FFCDRO COc1cccnc1N1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138355873 1034193003 /nfs/dbraw/zinc/19/30/03/1034193003.db2.gz FJZHCPURCWNEKL-UHFFFAOYSA-N 1 0 352.482 2.795 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)nc1 ZINC001138359282 1034195091 /nfs/dbraw/zinc/19/50/91/1034195091.db2.gz PEEJNSOQQDLSMX-QGZVFWFLSA-N 1 0 354.454 2.521 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000831727295 1034245881 /nfs/dbraw/zinc/24/58/81/1034245881.db2.gz LMNMIAYCSJGFPT-QZTJIDSGSA-N 1 0 352.482 2.951 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c1O ZINC001277068640 1034393202 /nfs/dbraw/zinc/39/32/02/1034393202.db2.gz RMWJYWRRVWKGLD-SFHVURJKSA-N 1 0 352.862 2.889 20 10 FFCDRO CCc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000832266824 1034688130 /nfs/dbraw/zinc/68/81/30/1034688130.db2.gz JHKRPRAVACHUIK-KRWDZBQOSA-N 1 0 356.426 2.653 20 10 FFCDRO C[C@H](CCOc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267274 1034690407 /nfs/dbraw/zinc/69/04/07/1034690407.db2.gz PFGBOHWZIUGONX-OXQOHEQNSA-N 1 0 355.482 2.974 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000832272675 1034693835 /nfs/dbraw/zinc/69/38/35/1034693835.db2.gz IRCTWVPRZIXUFU-QGZVFWFLSA-N 1 0 370.478 2.828 20 10 FFCDRO COc1ccc(/C=C/C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832281650 1034698781 /nfs/dbraw/zinc/69/87/81/1034698781.db2.gz VHZDQEAXSOHJAJ-NORHQAJESA-N 1 0 369.465 2.599 20 10 FFCDRO COc1ccc2c(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)coc2c1 ZINC000832283827 1034700596 /nfs/dbraw/zinc/70/05/96/1034700596.db2.gz CGPOPYZRCMJORB-LJQANCHMSA-N 1 0 367.449 2.866 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140054834 1035323944 /nfs/dbraw/zinc/32/39/44/1035323944.db2.gz XXPPTIOEHFSWPA-NRFANRHFSA-N 1 0 369.440 2.941 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(F)ccc3O)CC2)C1 ZINC001140063547 1035327728 /nfs/dbraw/zinc/32/77/28/1035327728.db2.gz SFWKTEPRGPHHNS-OAHLLOKOSA-N 1 0 364.461 2.771 20 10 FFCDRO CC(C)(C(N)=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140101495 1035342154 /nfs/dbraw/zinc/34/21/54/1035342154.db2.gz WCYWJWUWLJLSKC-UHFFFAOYSA-N 1 0 355.276 2.878 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c1O ZINC001140179574 1035369732 /nfs/dbraw/zinc/36/97/32/1035369732.db2.gz GKKRNJVBWLFOIM-QXAKKESOSA-N 1 0 358.482 2.611 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1O ZINC001140178943 1035369804 /nfs/dbraw/zinc/36/98/04/1035369804.db2.gz DKHMYGBRQGRMMS-SJORKVTESA-N 1 0 357.479 2.955 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)c1O ZINC001140181240 1035370707 /nfs/dbraw/zinc/37/07/07/1035370707.db2.gz RECPOZRKBCYZCT-GGPKGHCWSA-N 1 0 372.509 2.716 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1O ZINC001140181885 1035371025 /nfs/dbraw/zinc/37/10/25/1035371025.db2.gz YSSXADZWDYOVCR-RXVVDRJESA-N 1 0 371.481 2.656 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCN(CC(=O)N(C)c3ccccc3)CC2)c1O ZINC001140184071 1035371335 /nfs/dbraw/zinc/37/13/35/1035371335.db2.gz LVASYOHFACCOOQ-UHFFFAOYSA-N 1 0 367.493 2.790 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(O)C(F)(F)F ZINC001140282925 1035417455 /nfs/dbraw/zinc/41/74/55/1035417455.db2.gz KXJAPHMULMZZKH-KDOFPFPSSA-N 1 0 372.431 2.783 20 10 FFCDRO Cc1nnc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)o1 ZINC001140288422 1035420056 /nfs/dbraw/zinc/42/00/56/1035420056.db2.gz RZSYEKODDUIEHW-UHFFFAOYSA-N 1 0 356.470 2.719 20 10 FFCDRO Clc1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1N1CCOCC1 ZINC001232193816 1035494023 /nfs/dbraw/zinc/49/40/23/1035494023.db2.gz AIZBFLMEMKMAFH-UHFFFAOYSA-N 1 0 352.862 2.516 20 10 FFCDRO COC(=O)c1cccc2c1CC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC000835068084 1035505241 /nfs/dbraw/zinc/50/52/41/1035505241.db2.gz DJXZLTUTZSPYRG-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000835074218 1035512093 /nfs/dbraw/zinc/51/20/93/1035512093.db2.gz QSHNTPZRFQTLHD-IAGOWNOFSA-N 1 0 372.469 2.828 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(Cc4cnoc4)C3=O)C2)c(O)c1 ZINC001277204407 1035525682 /nfs/dbraw/zinc/52/56/82/1035525682.db2.gz JPIFQDDRJWNNNN-FQEVSTJZSA-N 1 0 355.438 2.622 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc1Cl ZINC001232261739 1035533531 /nfs/dbraw/zinc/53/35/31/1035533531.db2.gz NPASIIDZRUVDHZ-KSSFIOAISA-N 1 0 353.846 2.911 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC001232266973 1035537668 /nfs/dbraw/zinc/53/76/68/1035537668.db2.gz UFXBUPPEHLALFV-QWHCGFSZSA-N 1 0 360.841 2.835 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)c1 ZINC001140620050 1035744839 /nfs/dbraw/zinc/74/48/39/1035744839.db2.gz AOYRUWFRGOWEJY-IBGZPJMESA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)c1 ZINC001140620311 1035746232 /nfs/dbraw/zinc/74/62/32/1035746232.db2.gz JKJXERZGTKPVGD-GASCZTMLSA-N 1 0 357.479 2.751 20 10 FFCDRO CN(C)c1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001232836641 1036090672 /nfs/dbraw/zinc/09/06/72/1036090672.db2.gz SENZMVXKMHKRRE-RTBURBONSA-N 1 0 365.477 2.662 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c(O)c1 ZINC001232838900 1036093173 /nfs/dbraw/zinc/09/31/73/1036093173.db2.gz NRGRJXNAYBUGQX-QGZVFWFLSA-N 1 0 370.497 2.713 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001232841663 1036097813 /nfs/dbraw/zinc/09/78/13/1036097813.db2.gz NUBCZQMUOAAUMH-MRXNPFEDSA-N 1 0 371.456 2.992 20 10 FFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3O)C2)n1 ZINC001232841687 1036097891 /nfs/dbraw/zinc/09/78/91/1036097891.db2.gz OMVDKWSFXGYUAX-KRWDZBQOSA-N 1 0 357.454 2.905 20 10 FFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3O)C2)nc1 ZINC001232841422 1036098833 /nfs/dbraw/zinc/09/88/33/1036098833.db2.gz FPINKISOMLPYAB-SFHVURJKSA-N 1 0 357.454 2.905 20 10 FFCDRO O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233011351 1036246704 /nfs/dbraw/zinc/24/67/04/1036246704.db2.gz CAXWPRVTQCDRNL-INIZCTEOSA-N 1 0 374.481 2.712 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c(O)c1 ZINC001140855786 1036292049 /nfs/dbraw/zinc/29/20/49/1036292049.db2.gz CCPOXRWBDMGRAO-QGZVFWFLSA-N 1 0 360.433 2.821 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCn3cnc(COCCO)c3C2)c1 ZINC001233285101 1036492090 /nfs/dbraw/zinc/49/20/90/1036492090.db2.gz SMIHWDIZDDCNBT-UHFFFAOYSA-N 1 0 373.497 2.801 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333057 1036537617 /nfs/dbraw/zinc/53/76/17/1036537617.db2.gz IDDLEDCCQZKFDJ-YWZLYKJASA-N 1 0 358.388 2.776 20 10 FFCDRO CCOC(=O)C1CCN(C2CC[NH+](Cc3ccc(C)cc3O)CC2)CC1 ZINC001140948200 1036540065 /nfs/dbraw/zinc/54/00/65/1036540065.db2.gz XWZNIWZFWJLYMR-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c(O)c1 ZINC001140950293 1036546171 /nfs/dbraw/zinc/54/61/71/1036546171.db2.gz PTVWIRROLIEPBO-RXVVDRJESA-N 1 0 368.481 2.751 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)c(O)c1 ZINC001140950576 1036548459 /nfs/dbraw/zinc/54/84/59/1036548459.db2.gz YXIMQKMVBPDTCZ-WIYYLYMNSA-N 1 0 373.497 2.630 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)c(O)c1 ZINC001140950474 1036549157 /nfs/dbraw/zinc/54/91/57/1036549157.db2.gz VEHQUZIRNYFAGS-NRFANRHFSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c(O)c1 ZINC001140950799 1036550985 /nfs/dbraw/zinc/55/09/85/1036550985.db2.gz JGNABWVPEJHPLC-AZUAARDMSA-N 1 0 364.445 2.850 20 10 FFCDRO COC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)Cc2cn(C)nc21 ZINC001233452744 1036633675 /nfs/dbraw/zinc/63/36/75/1036633675.db2.gz JBBJFVQSJJRYAC-ZDUSSCGKSA-N 1 0 355.360 2.890 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001233482806 1036649161 /nfs/dbraw/zinc/64/91/61/1036649161.db2.gz CHMFAIYWLXFTKS-OCCSQVGLSA-N 1 0 366.458 2.786 20 10 FFCDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485795 1036652826 /nfs/dbraw/zinc/65/28/26/1036652826.db2.gz KRTBIYKZQPCZCI-YPMHNXCESA-N 1 0 352.431 2.681 20 10 FFCDRO CN1C(=O)CC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c2ccccc21 ZINC001233484565 1036653112 /nfs/dbraw/zinc/65/31/12/1036653112.db2.gz PCKHISYYCOVOSH-UHFFFAOYSA-N 1 0 368.433 2.704 20 10 FFCDRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233484787 1036653871 /nfs/dbraw/zinc/65/38/71/1036653871.db2.gz XLUKMBSGUJUAEY-LJQANCHMSA-N 1 0 374.462 2.884 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233485289 1036653938 /nfs/dbraw/zinc/65/39/38/1036653938.db2.gz PNJXNXYQLJMTOM-OAHLLOKOSA-N 1 0 374.481 2.712 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487776 1036655893 /nfs/dbraw/zinc/65/58/93/1036655893.db2.gz RPQRUWOTONQMOX-IBGZPJMESA-N 1 0 366.458 2.930 20 10 FFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2O)CCO1 ZINC001233776446 1036759325 /nfs/dbraw/zinc/75/93/25/1036759325.db2.gz SMRACBLLXIBZAA-AWEZNQCLSA-N 1 0 362.392 2.833 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c(OC)c1 ZINC001141027269 1036759715 /nfs/dbraw/zinc/75/97/15/1036759715.db2.gz SMLWYMWEJRGDHJ-YOEHRIQHSA-N 1 0 368.433 2.504 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c(OC)c1 ZINC001141032990 1036778735 /nfs/dbraw/zinc/77/87/35/1036778735.db2.gz WFSHQBIPDZHNPE-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141032889 1036780109 /nfs/dbraw/zinc/78/01/09/1036780109.db2.gz RGROSCYAOGXLDJ-UHFFFAOYSA-N 1 0 350.459 2.632 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(C)(C)OC)C3=O)C2)c(O)c1 ZINC001277829533 1036907708 /nfs/dbraw/zinc/90/77/08/1036907708.db2.gz FZNVXSXFOLKQBA-NRFANRHFSA-N 1 0 360.498 2.804 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4ccccc4n(C)c3=O)C2)cc1 ZINC001203090960 1036911876 /nfs/dbraw/zinc/91/18/76/1036911876.db2.gz ZAKQEWZVSZFCFD-SFHVURJKSA-N 1 0 363.461 2.916 20 10 FFCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C2)C1=O ZINC001277831165 1036915847 /nfs/dbraw/zinc/91/58/47/1036915847.db2.gz WFKYJGNHENAXOA-INIZCTEOSA-N 1 0 357.237 2.670 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)CC[C@H]21 ZINC001141078756 1036930067 /nfs/dbraw/zinc/93/00/67/1036930067.db2.gz HFKPYMCALGPZQM-WOJBJXKFSA-N 1 0 353.510 2.828 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)C1=O ZINC001277426893 1036952604 /nfs/dbraw/zinc/95/26/04/1036952604.db2.gz LKEGYZXNJSXKIP-IBGZPJMESA-N 1 0 366.889 2.957 20 10 FFCDRO CC[NH+]1CCN(c2ccc(OC3CCN(c4ncccn4)CC3)cc2)CC1 ZINC001234657070 1037127005 /nfs/dbraw/zinc/12/70/05/1037127005.db2.gz ARHAPSQJMZMHKE-UHFFFAOYSA-N 1 0 367.497 2.666 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CC(=O)Nc2cccc3cccnc32)c1O ZINC001207373162 1037391090 /nfs/dbraw/zinc/39/10/90/1037391090.db2.gz YPWYUMFXTXKCRK-UHFFFAOYSA-N 1 0 351.406 2.986 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235220860 1037422852 /nfs/dbraw/zinc/42/28/52/1037422852.db2.gz ILRYITWAHTVRRW-RBBKRZOGSA-N 1 0 367.468 2.734 20 10 FFCDRO C[C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC001231166183 1037489461 /nfs/dbraw/zinc/48/94/61/1037489461.db2.gz KWBDFRUTWNOYAR-MNEFBYGVSA-N 1 0 362.518 2.612 20 10 FFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231554454 1037677424 /nfs/dbraw/zinc/67/74/24/1037677424.db2.gz SXHFWKVPCORSKV-MRXNPFEDSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1ccc(Br)c(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001231556135 1037680397 /nfs/dbraw/zinc/68/03/97/1037680397.db2.gz XLMFBZDRARWPDL-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001235781107 1037742602 /nfs/dbraw/zinc/74/26/02/1037742602.db2.gz VKDVBAIBYIGVKR-FUHWJXTLSA-N 1 0 358.413 2.521 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c(O)cc1O ZINC001231635664 1037754081 /nfs/dbraw/zinc/75/40/81/1037754081.db2.gz WPJGBCJOYGOAGA-INIZCTEOSA-N 1 0 363.454 2.657 20 10 FFCDRO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)cc1O ZINC001231633940 1037755885 /nfs/dbraw/zinc/75/58/85/1037755885.db2.gz FBDKJXFHLNEBHO-CYBMUJFWSA-N 1 0 366.458 2.795 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)c(O)cc1O ZINC001231637788 1037758293 /nfs/dbraw/zinc/75/82/93/1037758293.db2.gz SLMWSBVDMQDGJP-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO C[C@@H]([NH3+])CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001236098059 1037931890 /nfs/dbraw/zinc/93/18/90/1037931890.db2.gz NBKTWZDURZHNGR-BDJLRTHQSA-N 1 0 362.857 2.794 20 10 FFCDRO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231850827 1037945253 /nfs/dbraw/zinc/94/52/53/1037945253.db2.gz VFGDYKFXMXXROY-JKSUJKDBSA-N 1 0 357.454 2.962 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001231858330 1037956594 /nfs/dbraw/zinc/95/65/94/1037956594.db2.gz UBJPISLKFXZIBI-GOSISDBHSA-N 1 0 368.481 2.551 20 10 FFCDRO CCC[C@H]1CN(Cc2cccc(I)c2O)CC[NH2+]1 ZINC001236177676 1037967601 /nfs/dbraw/zinc/96/76/01/1037967601.db2.gz FUNJRRHGHRVAFQ-LBPRGKRZSA-N 1 0 360.239 2.571 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])c(O)c1 ZINC001236213001 1037989467 /nfs/dbraw/zinc/98/94/67/1037989467.db2.gz ARPCUUVPIPKOCI-MSOLQXFVSA-N 1 0 364.486 2.816 20 10 FFCDRO COc1cc(O)c(CN(C2CC2)[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC001236240900 1037999647 /nfs/dbraw/zinc/99/96/47/1037999647.db2.gz NJVNHLWMHOHPAI-LBPRGKRZSA-N 1 0 355.276 2.880 20 10 FFCDRO COC(=O)[C@H](N)[C@@H]1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236278815 1038019551 /nfs/dbraw/zinc/01/95/51/1038019551.db2.gz WNPADTMKJDJDJU-YLJYHZDGSA-N 1 0 355.482 2.806 20 10 FFCDRO COC(=O)[C@@H](N)[C@@H]1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236278813 1038020931 /nfs/dbraw/zinc/02/09/31/1038020931.db2.gz WNPADTMKJDJDJU-XLIONFOSSA-N 1 0 355.482 2.806 20 10 FFCDRO CCOC(=O)CN(CCC[NH3+])Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236303269 1038032179 /nfs/dbraw/zinc/03/21/79/1038032179.db2.gz JXKPJFNLXNHFFY-UHFFFAOYSA-N 1 0 360.429 2.912 20 10 FFCDRO CCOc1ccc(N2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001277996285 1038185114 /nfs/dbraw/zinc/18/51/14/1038185114.db2.gz FRUVXWZSTYQDQI-NRFANRHFSA-N 1 0 359.514 2.856 20 10 FFCDRO COC(=O)C1CCN(Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236748495 1038233003 /nfs/dbraw/zinc/23/30/03/1038233003.db2.gz QDDPDBBYDMKENT-UHFFFAOYSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(O)cc1Br ZINC001236752290 1038237791 /nfs/dbraw/zinc/23/77/91/1038237791.db2.gz VXEQZSDQYACUFX-GFCCVEGCSA-N 1 0 372.259 2.891 20 10 FFCDRO COc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)cc1Br ZINC001236754497 1038239635 /nfs/dbraw/zinc/23/96/35/1038239635.db2.gz VDNPJEHCOPPRCV-CYBMUJFWSA-N 1 0 355.276 2.833 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2cc(OC)c(OC)cc2O)CCC[C@]12CCC(=O)N2C ZINC001236756899 1038242344 /nfs/dbraw/zinc/24/23/44/1038242344.db2.gz XSCFNHGRISLLGW-ICSRJNTNSA-N 1 0 362.470 2.775 20 10 FFCDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3cc(OCc4ccccc4)ccc3O)[C@H]2C1 ZINC001236779119 1038263798 /nfs/dbraw/zinc/26/37/98/1038263798.db2.gz QHEXLDNVAJLJTM-RBDMOPTHSA-N 1 0 369.461 2.943 20 10 FFCDRO CCc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236786056 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374.266 2.818 20 10 FFCDRO O[C@]1(CF)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236921400 1038357330 /nfs/dbraw/zinc/35/73/30/1038357330.db2.gz FUITVPOQPAUIBP-GOSISDBHSA-N 1 0 356.869 2.863 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC12CC2 ZINC001236926931 1038359837 /nfs/dbraw/zinc/35/98/37/1038359837.db2.gz PJVMNOOFFAPZAV-INIZCTEOSA-N 1 0 364.873 2.562 20 10 FFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001236932245 1038363562 /nfs/dbraw/zinc/36/35/62/1038363562.db2.gz WLOUNFJPOGFQHL-KRWDZBQOSA-N 1 0 361.877 2.605 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)c(O)c1 ZINC001237040372 1038418856 /nfs/dbraw/zinc/41/88/56/1038418856.db2.gz HMIOJQFPBLXPOZ-OAQYLSRUSA-N 1 0 367.449 2.815 20 10 FFCDRO Cc1cccc(C[N@H+](C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC001237202447 1038475612 /nfs/dbraw/zinc/47/56/12/1038475612.db2.gz HDRBEEILMYRITO-UHFFFAOYSA-N 1 0 358.507 2.862 20 10 FFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001208986513 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20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210354194 1039497877 /nfs/dbraw/zinc/49/78/77/1039497877.db2.gz AFEGKPLRMSBUTQ-HXUWFJFHSA-N 1 0 369.484 2.679 20 10 FFCDRO FC(F)(F)Oc1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246998491 1039569552 /nfs/dbraw/zinc/56/95/52/1039569552.db2.gz XPJRBCGYMQPNSS-FOLVSLTJSA-N 1 0 355.404 2.990 20 10 FFCDRO c1cncc(COc2ccc(N3CCN([C@H]4CCC[NH2+]C4)CC3)cc2)c1 ZINC001246998033 1039570804 /nfs/dbraw/zinc/57/08/04/1039570804.db2.gz CTKBRYQYULXXOQ-FQEVSTJZSA-N 1 0 352.482 2.535 20 10 FFCDRO CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253023847 1039925065 /nfs/dbraw/zinc/92/50/65/1039925065.db2.gz WXMCUXVOGIOLIC-ZBFHGGJFSA-N 1 0 355.475 2.529 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(-n4nccn4)cc3)CC2)c(C)c1 ZINC001248772004 1040412987 /nfs/dbraw/zinc/41/29/87/1040412987.db2.gz DJTKHHMICBOQHW-UHFFFAOYSA-N 1 0 363.465 2.907 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3OC)C2)c(O)c1 ZINC001249201595 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IVUQRSRDQYMJTC-UHFFFAOYSA-N 1 0 358.482 2.776 20 10 FFCDRO O=C(NCC(F)(F)F)N1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001278551589 1041114586 /nfs/dbraw/zinc/11/45/86/1041114586.db2.gz KQWUXWNCTAFECI-UHFFFAOYSA-N 1 0 371.403 2.952 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c(O)cc1Br ZINC001250136467 1041126988 /nfs/dbraw/zinc/12/69/88/1041126988.db2.gz QOXIKSIXSXCQEO-ZDUSSCGKSA-N 1 0 364.243 2.906 20 10 FFCDRO O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4cc(Cl)ccc4O)[C@@H]3C2)[nH]1 ZINC001278568979 1041206624 /nfs/dbraw/zinc/20/66/24/1041206624.db2.gz LYRZKWIBKNZMDX-SUMWQHHRSA-N 1 0 359.857 2.853 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(Cc4scnc4C)C[C@H]32)c1 ZINC001278571100 1041215262 /nfs/dbraw/zinc/21/52/62/1041215262.db2.gz OUTOTDGXHNRMHN-WMLDXEAASA-N 1 0 359.495 2.872 20 10 FFCDRO Cc1noc(-c2ccc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2)n1 ZINC001261459902 1041251109 /nfs/dbraw/zinc/25/11/09/1041251109.db2.gz GROCJRRONFRRAA-SFHVURJKSA-N 1 0 365.437 2.541 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cccc3c2OCO3)[NH+](C)C)cc1 ZINC001216665888 1042089671 /nfs/dbraw/zinc/08/96/71/1042089671.db2.gz OLZSRZVENYZOGZ-KRWDZBQOSA-N 1 0 370.453 2.906 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001263095380 1042099599 /nfs/dbraw/zinc/09/95/99/1042099599.db2.gz KVHDZXIWLCHHPQ-FQEVSTJZSA-N 1 0 371.525 2.699 20 10 FFCDRO C[C@]12CN(C(=O)c3cccc(O)c3O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702261533 1042886722 /nfs/dbraw/zinc/88/67/22/1042886722.db2.gz LNJYFMAHRBOODR-IERDGZPVSA-N 1 0 352.434 2.692 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]21 ZINC001279149252 1042919646 /nfs/dbraw/zinc/91/96/46/1042919646.db2.gz CJVUAPNMRNLHAM-MOPGFXCFSA-N 1 0 372.538 2.603 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)cc1 ZINC001279149407 1042920343 /nfs/dbraw/zinc/92/03/43/1042920343.db2.gz GQMWHKXTDVZTIA-HDICACEKSA-N 1 0 371.447 2.980 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001279197585 1042941779 /nfs/dbraw/zinc/94/17/79/1042941779.db2.gz WLJROADNOQRTIU-HXUWFJFHSA-N 1 0 359.445 2.726 20 10 FFCDRO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001279220816 1042950137 /nfs/dbraw/zinc/95/01/37/1042950137.db2.gz MCBWBOIOPSHPBF-IYBDPMFKSA-N 1 0 358.463 2.577 20 10 FFCDRO c1n[nH]cc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279231526 1042956657 /nfs/dbraw/zinc/95/66/57/1042956657.db2.gz QXGYTEIMNDLNQC-NQIIRXRSSA-N 1 0 351.498 2.716 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(C)c2O)C3)CCC1 ZINC001279291036 1042986444 /nfs/dbraw/zinc/98/64/44/1042986444.db2.gz WTFSAXWJSJNSBW-WMZOPIPTSA-N 1 0 358.482 2.693 20 10 FFCDRO COC1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccc(C)cc4O)[C@@H]3C2)CCC1 ZINC001279338737 1043011634 /nfs/dbraw/zinc/01/16/34/1043011634.db2.gz PSGUKGLVVUTFQW-FUHWJXTLSA-N 1 0 358.482 2.693 20 10 FFCDRO COC1(CC(=O)N2CC3(C2)C[NH+](Cc2c(C)cc(C)cc2O)C3)CCC1 ZINC001279427700 1043102226 /nfs/dbraw/zinc/10/22/26/1043102226.db2.gz ISUXTXCZNQVQCB-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)c(O)c1 ZINC001279432654 1043106245 /nfs/dbraw/zinc/10/62/45/1043106245.db2.gz MRERAPYJMAFAEI-OKILXGFUSA-N 1 0 371.403 2.930 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(C)ccc(C)c2O)c1 ZINC001237443665 1043167481 /nfs/dbraw/zinc/16/74/81/1043167481.db2.gz MKPGXMIDMYEKOL-IBGZPJMESA-N 1 0 354.450 2.942 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H]2CN(CC(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001237486376 1043198132 /nfs/dbraw/zinc/19/81/32/1043198132.db2.gz RJLKNIIPKAWOFG-VQIMIIECSA-N 1 0 366.527 2.583 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001237494928 1043206223 /nfs/dbraw/zinc/20/62/23/1043206223.db2.gz MYFTYIKWDXVQOT-UHFFFAOYSA-N 1 0 360.479 2.597 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001279514989 1043211659 /nfs/dbraw/zinc/21/16/59/1043211659.db2.gz WYXSQHYXHBTNLH-CJNGLKHVSA-N 1 0 374.403 2.538 20 10 FFCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001279532993 1043230765 /nfs/dbraw/zinc/23/07/65/1043230765.db2.gz AUZVLZXMTSSCDU-UHFFFAOYSA-N 1 0 356.514 2.913 20 10 FFCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237649284 1043293714 /nfs/dbraw/zinc/29/37/14/1043293714.db2.gz JYHGJGIALQMLFZ-LJQANCHMSA-N 1 0 372.440 2.925 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237674995 1043302989 /nfs/dbraw/zinc/30/29/89/1043302989.db2.gz PJEYEPWOTFMLIF-CYBMUJFWSA-N 1 0 353.415 2.935 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(OC)cc(OC)c1O ZINC001237675858 1043304804 /nfs/dbraw/zinc/30/48/04/1043304804.db2.gz HUDUSOHLXUENOA-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1Br ZINC001237681934 1043309088 /nfs/dbraw/zinc/30/90/88/1043309088.db2.gz MFNWENPZXXASFP-CYBMUJFWSA-N 1 0 351.248 2.892 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2scnc2C)c(O)c1 ZINC001279663860 1043425502 /nfs/dbraw/zinc/42/55/02/1043425502.db2.gz IFDHQKQVJSOPLL-MJGOQNOKSA-N 1 0 373.522 2.805 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c(Cl)c1 ZINC001279666275 1043432415 /nfs/dbraw/zinc/43/24/15/1043432415.db2.gz ZMNMIEFRJFWCOS-GASCZTMLSA-N 1 0 366.889 2.882 20 10 FFCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1OC(F)(F)F ZINC001279680917 1043458456 /nfs/dbraw/zinc/45/84/56/1043458456.db2.gz MOVLUSZUPVKTKK-OKILXGFUSA-N 1 0 373.419 2.501 20 10 FFCDRO O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001279726282 1043536148 /nfs/dbraw/zinc/53/61/48/1043536148.db2.gz JEZDCRSIXNZVNU-UZLBHIALSA-N 1 0 360.454 2.644 20 10 FFCDRO Cc1cc(C)cc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[O-])c1 ZINC000756386295 1043609945 /nfs/dbraw/zinc/60/99/45/1043609945.db2.gz HNXHRDJDADNLDP-OAQYLSRUSA-N 1 0 367.493 2.971 20 10 FFCDRO Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc(C)n1 ZINC001311104017 1043803020 /nfs/dbraw/zinc/80/30/20/1043803020.db2.gz WXBHSBSGABDVKL-KRWDZBQOSA-N 1 0 356.474 2.584 20 10 FFCDRO Cn1ccnc1NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001279968473 1044001833 /nfs/dbraw/zinc/00/18/33/1044001833.db2.gz KTMMOJFWEHAVAA-OXJNMPFZSA-N 1 0 354.454 2.757 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3c(O)cccc3F)C2)cc1 ZINC001313187167 1044266447 /nfs/dbraw/zinc/26/64/47/1044266447.db2.gz SMYZTLVVSQCIHV-INIZCTEOSA-N 1 0 357.429 2.913 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@]23CCCO3)[NH+](C)C)cc1 ZINC001313206771 1044272674 /nfs/dbraw/zinc/27/26/74/1044272674.db2.gz LCJHGUJPNSETAH-ZVDOUQERSA-N 1 0 374.529 2.756 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NCC(F)F)c1O ZINC001280345621 1044634533 /nfs/dbraw/zinc/63/45/33/1044634533.db2.gz BCDICOLZRUMLKM-AWEZNQCLSA-N 1 0 370.465 2.698 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)(C2)C3)c1O ZINC001280346655 1044635769 /nfs/dbraw/zinc/63/57/69/1044635769.db2.gz VZWJFZOXCBRKJL-XBLGPDGASA-N 1 0 358.482 2.657 20 10 FFCDRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001320582835 1045432097 /nfs/dbraw/zinc/43/20/97/1045432097.db2.gz CIPBEHMFZFATMG-UHFFFAOYSA-N 1 0 363.502 2.606 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[NH+]2CCCC2)CCCC1 ZINC001539532731 1070653770 /nfs/dbraw/zinc/65/37/70/1070653770.db2.gz YEOKWUVOZXNGHU-UHFFFAOYSA-N 1 0 355.482 2.741 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001323828440 1045741445 /nfs/dbraw/zinc/74/14/45/1045741445.db2.gz AVZFRHXXSRSLTJ-IXDOHACOSA-N 1 0 359.514 2.781 20 10 FFCDRO COc1ccc(CNC(=O)CC[N@H+](C)Cc2ccccc2O)c(OC)c1 ZINC001324488937 1046060530 /nfs/dbraw/zinc/06/05/30/1046060530.db2.gz RERWUUXHTFKJOL-UHFFFAOYSA-N 1 0 358.438 2.548 20 10 FFCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC001324538241 1046090988 /nfs/dbraw/zinc/09/09/88/1046090988.db2.gz YJIDNZSXSGXCNF-NWDGAFQWSA-N 1 0 358.232 2.595 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[C@H](C[NH+]4CCCCC4)C3)cc2F)CC1 ZINC001324750456 1046205588 /nfs/dbraw/zinc/20/55/88/1046205588.db2.gz ILYBZPBBJMVEBC-HXUWFJFHSA-N 1 0 374.548 2.885 20 10 FFCDRO C[NH2+]C[C@H](C)CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001325681630 1046608749 /nfs/dbraw/zinc/60/87/49/1046608749.db2.gz UBYPEULUXHATQM-INIZCTEOSA-N 1 0 358.486 2.913 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)[NH+](C)C)cc1 ZINC001289600908 1047708371 /nfs/dbraw/zinc/70/83/71/1047708371.db2.gz UTLPNVAQVRRHGN-QUCCMNQESA-N 1 0 371.456 2.614 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC001332087050 1048241299 /nfs/dbraw/zinc/24/12/99/1048241299.db2.gz FHGNMDXSQGVKEV-PXNSSMCTSA-N 1 0 359.514 2.650 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C2CC2)cc1 ZINC001332579952 1048461711 /nfs/dbraw/zinc/46/17/11/1048461711.db2.gz SWHIJLMUFLBLRD-OAHLLOKOSA-N 1 0 366.456 2.671 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC001330529293 1049192050 /nfs/dbraw/zinc/19/20/50/1049192050.db2.gz QXXUUPMONBNDCR-UHFFFAOYSA-N 1 0 358.413 2.893 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)cc2)CC1 ZINC001331258664 1049535830 /nfs/dbraw/zinc/53/58/30/1049535830.db2.gz ZSMXKNVTFFANKB-NXHRZFHOSA-N 1 0 363.452 2.736 20 10 FFCDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341568795 1050195371 /nfs/dbraw/zinc/19/53/71/1050195371.db2.gz FUAWBHWBPOHHGC-LJQANCHMSA-N 1 0 362.537 2.884 20 10 FFCDRO CC(C)(C[NH3+])CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001340106385 1050512253 /nfs/dbraw/zinc/51/22/53/1050512253.db2.gz SWBDGVXRYPTXFB-ZDUSSCGKSA-N 1 0 355.429 2.748 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)Cc3csc(C[NH3+])n3)cc2)CC1 ZINC001340218895 1050627603 /nfs/dbraw/zinc/62/76/03/1050627603.db2.gz MDHCCYNNGHIWAT-UHFFFAOYSA-N 1 0 358.511 2.697 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC001340649895 1051024040 /nfs/dbraw/zinc/02/40/40/1051024040.db2.gz OHGWNXHPGQPAQA-QGZVFWFLSA-N 1 0 367.449 2.657 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001342567952 1051173367 /nfs/dbraw/zinc/17/33/67/1051173367.db2.gz GSYFQJPJIRFHQG-IBGZPJMESA-N 1 0 361.873 2.544 20 10 FFCDRO Cc1c(F)ccc(N)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001304769327 1051689840 /nfs/dbraw/zinc/68/98/40/1051689840.db2.gz VCYUNEHUIIDUAY-GOSISDBHSA-N 1 0 358.461 2.815 20 10 FFCDRO Cc1c(N)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1F ZINC001304767473 1051689872 /nfs/dbraw/zinc/68/98/72/1051689872.db2.gz HNLNADBQURFMBB-SFHVURJKSA-N 1 0 358.461 2.815 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[NH2+]C[C@H]3c3ccccc3)cc2F)CC1 ZINC001345103095 1052258867 /nfs/dbraw/zinc/25/88/67/1052258867.db2.gz BBMLDTPZELLBET-QFIPXVFZSA-N 1 0 368.500 2.724 20 10 FFCDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001307228119 1052272923 /nfs/dbraw/zinc/27/29/23/1052272923.db2.gz OMXUGPWLDUXFMV-MRXNPFEDSA-N 1 0 360.462 2.900 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001343557233 1052304780 /nfs/dbraw/zinc/30/47/80/1052304780.db2.gz JOGGVOZMPCJDDS-UHFFFAOYSA-N 1 0 356.388 2.819 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@](C)(O)C3CCCCC3)cc2F)CC1 ZINC001343561679 1052308207 /nfs/dbraw/zinc/30/82/07/1052308207.db2.gz UEDLHCHCPLHDKU-NRFANRHFSA-N 1 0 363.521 2.998 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1O ZINC001307845156 1052356355 /nfs/dbraw/zinc/35/63/55/1052356355.db2.gz TYLIXQNKBYNFGB-ZWKOTPCHSA-N 1 0 372.852 2.949 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC001308543012 1052466729 /nfs/dbraw/zinc/46/67/29/1052466729.db2.gz FUHFSGJOWZUZSQ-LWCVALJOSA-N 1 0 361.530 2.923 20 10 FFCDRO COc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c(O)c1OC ZINC001334986598 1053177043 /nfs/dbraw/zinc/17/70/43/1053177043.db2.gz XXASICABYKINEG-UHFFFAOYSA-N 1 0 366.458 2.946 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)cc1 ZINC001346738344 1053272552 /nfs/dbraw/zinc/27/25/52/1053272552.db2.gz GEMGDKDADZNTPZ-UHFFFAOYSA-N 1 0 362.424 2.820 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001352101020 1055191716 /nfs/dbraw/zinc/19/17/16/1055191716.db2.gz WOGKQLDVVYXGTB-LGYLBKJUSA-N 1 0 373.453 2.948 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000847302363 1055430820 /nfs/dbraw/zinc/43/08/20/1055430820.db2.gz HERMNNNBOPAHBI-QUCCMNQESA-N 1 0 356.514 2.885 20 10 FFCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc3c(cc2O)OCO3)cc1F ZINC000849353064 1056837018 /nfs/dbraw/zinc/83/70/18/1056837018.db2.gz XQIGOJZWFYCNHA-HOCLYGCPSA-N 1 0 374.412 2.504 20 10 FFCDRO COc1ccc([C@H]2CCNC[C@H]2[NH2+]Cc2cccc(OC)c2O)cc1F ZINC000849353004 1056837757 /nfs/dbraw/zinc/83/77/57/1056837757.db2.gz VKUZFUYURHTMRQ-NVXWUHKLSA-N 1 0 360.429 2.784 20 10 FFCDRO CC(C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)COC1 ZINC001445887801 1058452200 /nfs/dbraw/zinc/45/22/00/1058452200.db2.gz VMLXNXIZQKBEBX-MRXNPFEDSA-N 1 0 366.889 2.799 20 10 FFCDRO C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001448724798 1058810128 /nfs/dbraw/zinc/81/01/28/1058810128.db2.gz WOQICWWNWUEMED-OAQYLSRUSA-N 1 0 354.450 2.669 20 10 FFCDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)Cc3ccc(O)c(O)c3)sc2C1 ZINC001451889419 1059161969 /nfs/dbraw/zinc/16/19/69/1059161969.db2.gz QTTLKCVQUGHAFM-UHFFFAOYSA-N 1 0 361.467 2.892 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001456526478 1060148189 /nfs/dbraw/zinc/14/81/89/1060148189.db2.gz QBEAJNCHROLQIM-GCJKJVERSA-N 1 0 365.477 2.930 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2[nH]nc3ccccc32)[NH+](C)C)cc1 ZINC001456928830 1060230664 /nfs/dbraw/zinc/23/06/64/1060230664.db2.gz DENCTXYQBYSOIK-SFHVURJKSA-N 1 0 351.454 2.662 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CCC[C@]4(CCOC4)O3)CC2)cc1 ZINC001459794458 1060820588 /nfs/dbraw/zinc/82/05/88/1060820588.db2.gz DFFZMQCPMJMDAS-LEWJYISDSA-N 1 0 360.498 2.936 20 10 FFCDRO CCCn1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)n1 ZINC001461087556 1061206932 /nfs/dbraw/zinc/20/69/32/1061206932.db2.gz MLGLKFOJOYATIX-SFHVURJKSA-N 1 0 369.513 2.593 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001461341280 1061296069 /nfs/dbraw/zinc/29/60/69/1061296069.db2.gz ZWCGYWAHIRNMKT-FQEVSTJZSA-N 1 0 365.493 2.802 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccnn2C)NC(=O)OC(C)(C)C)cc1 ZINC001461398055 1061309413 /nfs/dbraw/zinc/30/94/13/1061309413.db2.gz CDEGNSAESZQSOK-SFHVURJKSA-N 1 0 373.501 2.842 20 10 FFCDRO CC[C@@H]1COCCN1CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001461731433 1061390421 /nfs/dbraw/zinc/39/04/21/1061390421.db2.gz KFYQNZHZHRSZQN-MRXNPFEDSA-N 1 0 350.503 2.899 20 10 FFCDRO CC[C@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@H](O)C(C)C ZINC001462345507 1061589811 /nfs/dbraw/zinc/58/98/11/1061589811.db2.gz CQQZLAFSXHHPBV-MAUKXSAKSA-N 1 0 350.434 2.989 20 10 FFCDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001462376638 1061600517 /nfs/dbraw/zinc/60/05/17/1061600517.db2.gz NQRWRPAMUNLTAZ-JSGCOSHPSA-N 1 0 350.434 2.991 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3C[C@H]3C(C)C)CC2)cc1 ZINC001477453484 1061703450 /nfs/dbraw/zinc/70/34/50/1061703450.db2.gz KWHRMSGNVGEEQM-VQTJNVASSA-N 1 0 374.529 2.551 20 10 FFCDRO COC1(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001478732601 1062096044 /nfs/dbraw/zinc/09/60/44/1062096044.db2.gz GLICQGZPZUFXQW-SFHVURJKSA-N 1 0 362.518 2.614 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H](OC(C)(C)C)C3)cc2)CC1 ZINC001479004276 1062179227 /nfs/dbraw/zinc/17/92/27/1062179227.db2.gz JIDYBTOYGWKCDU-UAPYVXQJSA-N 1 0 374.529 2.584 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)C[NH+](C)C)CCCC1 ZINC001524657471 1062941095 /nfs/dbraw/zinc/94/10/95/1062941095.db2.gz JSDTUNRPMOUPMS-UHFFFAOYSA-N 1 0 357.498 2.985 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc4ccsc4c3)cc2)CC1 ZINC001438888517 1063064957 /nfs/dbraw/zinc/06/49/57/1063064957.db2.gz VVMHSWIPMPGGJS-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(C4CC4)c3)cc2)CC1 ZINC001533682856 1063373466 /nfs/dbraw/zinc/37/34/66/1063373466.db2.gz FSCQXXOTBQMAEB-UHFFFAOYSA-N 1 0 350.466 2.641 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001497638784 1063737114 /nfs/dbraw/zinc/73/71/14/1063737114.db2.gz HMAYKHNAYQYBKM-DLURHVIKSA-N 1 0 358.482 2.581 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](CC)CO1 ZINC001471190217 1064595259 /nfs/dbraw/zinc/59/52/59/1064595259.db2.gz GYRZLGMDMNMJPO-AZUAARDMSA-N 1 0 374.529 2.537 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001473998497 1065438028 /nfs/dbraw/zinc/43/80/28/1065438028.db2.gz IZZYKSGPTVOJCI-AWEZNQCLSA-N 1 0 352.438 2.956 20 10 FFCDRO Cc1ccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c(O)c1 ZINC001474477703 1065533148 /nfs/dbraw/zinc/53/31/48/1065533148.db2.gz OTGDIVKRGBTGET-UHFFFAOYSA-N 1 0 368.886 2.812 20 10 FFCDRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474510623 1065539755 /nfs/dbraw/zinc/53/97/55/1065539755.db2.gz MRNNPSBTRZQIDZ-HOTGVXAUSA-N 1 0 368.861 2.915 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc([C@H]2CCC[NH2+]C2)n1CC(F)(F)F ZINC001578496354 1078482339 /nfs/dbraw/zinc/48/23/39/1078482339.db2.gz CUUKJEHXLRGNPJ-LBPRGKRZSA-N 1 0 369.391 2.649 20 10 FFCDRO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001579315300 1078617064 /nfs/dbraw/zinc/61/70/64/1078617064.db2.gz CFWPKBLORJSIIH-IPMKNSEASA-N 1 0 353.466 2.681 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cccc(O)c2)[NH+](C)C)cc1 ZINC001558723676 1076063532 /nfs/dbraw/zinc/06/35/32/1076063532.db2.gz UKXGZSMKBRLFEH-VPLQDYMCSA-N 1 0 353.466 2.891 20 10 FFCDRO COc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1O ZINC001558722788 1076063800 /nfs/dbraw/zinc/06/38/00/1076063800.db2.gz CGAYKTYUEIFTGH-SFHVURJKSA-N 1 0 371.481 2.808 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC001560580558 1076281288 /nfs/dbraw/zinc/28/12/88/1076281288.db2.gz ZPTIVKVBKSXQPM-UYAOXDASSA-N 1 0 374.437 2.876 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1F ZINC001563999086 1076597869 /nfs/dbraw/zinc/59/78/69/1076597869.db2.gz YDZLZOFFIKNYJO-GASCZTMLSA-N 1 0 350.482 2.906 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)C)cc1C ZINC001568462182 1077093576 /nfs/dbraw/zinc/09/35/76/1077093576.db2.gz GQXWNEAAPXPWNH-XSYGEPLQSA-N 1 0 360.498 2.802 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000373383816 512302237 /nfs/dbraw/zinc/30/22/37/512302237.db2.gz AGAYZMKJEZKFAO-KRWDZBQOSA-N 1 0 369.465 2.722 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000051907564 507789428 /nfs/dbraw/zinc/78/94/28/507789428.db2.gz PMSPBVCYKJATMJ-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000052087066 507796776 /nfs/dbraw/zinc/79/67/76/507796776.db2.gz DYRSFXQFXANHFQ-UHFFFAOYSA-N 1 0 360.454 2.782 20 10 FFCDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000090102681 507909061 /nfs/dbraw/zinc/90/90/61/507909061.db2.gz UTWAMRZLYRHIHM-HNNXBMFYSA-N 1 0 372.506 2.528 20 10 FFCDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000109771768 507986760 /nfs/dbraw/zinc/98/67/60/507986760.db2.gz SRCQXAHHOMDOBZ-UHFFFAOYSA-N 1 0 359.382 2.770 20 10 FFCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000371397004 512376338 /nfs/dbraw/zinc/37/63/38/512376338.db2.gz WISCHADDVOWMFE-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000093613082 508149832 /nfs/dbraw/zinc/14/98/32/508149832.db2.gz BDGMETXGKCYEMG-HOTGVXAUSA-N 1 0 370.287 2.907 20 10 FFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000093613083 508149866 /nfs/dbraw/zinc/14/98/66/508149866.db2.gz BDGMETXGKCYEMG-HZPDHXFCSA-N 1 0 370.287 2.907 20 10 FFCDRO C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000105266352 508367588 /nfs/dbraw/zinc/36/75/88/508367588.db2.gz KDOYZCDQHQDQHP-MAUKXSAKSA-N 1 0 361.486 2.566 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000128770620 508641605 /nfs/dbraw/zinc/64/16/05/508641605.db2.gz RDITZLUDOLLKIB-RHSMWYFYSA-N 1 0 350.482 2.763 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OC ZINC000158840592 508758430 /nfs/dbraw/zinc/75/84/30/508758430.db2.gz YOAHOEGGMHDVGC-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)cc1OC ZINC000160119011 508941491 /nfs/dbraw/zinc/94/14/91/508941491.db2.gz JUCNGGXRAHVLSZ-UHFFFAOYSA-N 1 0 374.437 2.705 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000120236179 508956153 /nfs/dbraw/zinc/95/61/53/508956153.db2.gz TVIBAIOJRZSVDX-UHFFFAOYSA-N 1 0 353.466 2.563 20 10 FFCDRO CCCC[N@H+](Cc1ccc(OCCC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160783743 509032341 /nfs/dbraw/zinc/03/23/41/509032341.db2.gz HZCHNIRQFVMIBA-INIZCTEOSA-N 1 0 355.500 2.970 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(N)(=O)=O)cc1 ZINC000126664883 509109601 /nfs/dbraw/zinc/10/96/01/509109601.db2.gz AFFGVCVKUSZXLF-AWEZNQCLSA-N 1 0 359.495 2.567 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000163233240 509352987 /nfs/dbraw/zinc/35/29/87/509352987.db2.gz INTGUJLSRKREER-XLIONFOSSA-N 1 0 356.514 2.911 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1O ZINC000179474665 509463959 /nfs/dbraw/zinc/46/39/59/509463959.db2.gz FCXKVFRLCCLILQ-AEFFLSMTSA-N 1 0 355.438 2.645 20 10 FFCDRO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000192551305 509551518 /nfs/dbraw/zinc/55/15/18/509551518.db2.gz VTTXYYXRYNMUJA-UHFFFAOYSA-N 1 0 372.396 2.608 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000165412596 509570524 /nfs/dbraw/zinc/57/05/24/509570524.db2.gz DHXRKBIYRXGGQP-YWZLYKJASA-N 1 0 371.456 2.615 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176541938 509572767 /nfs/dbraw/zinc/57/27/67/509572767.db2.gz BTVVQEJRHZKORT-UXHICEINSA-N 1 0 354.498 2.831 20 10 FFCDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1O ZINC000186271986 509615503 /nfs/dbraw/zinc/61/55/03/509615503.db2.gz CQQAWIIHUACWIN-AWEZNQCLSA-N 1 0 362.442 2.697 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccccc3O)cc2)C[C@@H](C)O1 ZINC000237658816 509703006 /nfs/dbraw/zinc/70/30/06/509703006.db2.gz GCMIJVSPZXFFGW-HZPDHXFCSA-N 1 0 354.450 2.931 20 10 FFCDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1O2 ZINC000192975313 509721424 /nfs/dbraw/zinc/72/14/24/509721424.db2.gz RIYFODYGSHEKMT-INIZCTEOSA-N 1 0 368.433 2.816 20 10 FFCDRO Cc1cc(Br)cc(CN2CCC([N@H+](C)CCCO)CC2)c1O ZINC000180248183 509833268 /nfs/dbraw/zinc/83/32/68/509833268.db2.gz KEWMYXNRWRSXHH-UHFFFAOYSA-N 1 0 371.319 2.742 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cncc(F)c3)CC2)cc1 ZINC000268828695 510093523 /nfs/dbraw/zinc/09/35/23/510093523.db2.gz NYCLREGSEJEKFV-INIZCTEOSA-N 1 0 358.461 2.702 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000269275012 510319819 /nfs/dbraw/zinc/31/98/19/510319819.db2.gz WDYFZCPSIRAWCO-KFWWJZLASA-N 1 0 367.440 2.891 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O ZINC000181374719 510380346 /nfs/dbraw/zinc/38/03/46/510380346.db2.gz JCRLFBLWBCBQRX-UHFFFAOYSA-N 1 0 360.479 2.775 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199605 510544952 /nfs/dbraw/zinc/54/49/52/510544952.db2.gz RWYDSPBCUUIELY-BBRMVZONSA-N 1 0 362.420 2.740 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(Br)cc1O ZINC000184917346 510583387 /nfs/dbraw/zinc/58/33/87/510583387.db2.gz SJNFWXSXVHUNQW-JTQLQIEISA-N 1 0 353.216 2.828 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)ccc1OC ZINC000269940491 510609650 /nfs/dbraw/zinc/60/96/50/510609650.db2.gz OXJVRUFMHBYTOE-VQTJNVASSA-N 1 0 359.466 2.806 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1 ZINC000185033269 510645217 /nfs/dbraw/zinc/64/52/17/510645217.db2.gz KNCQJATUVKXSPL-CABCVRRESA-N 1 0 357.454 2.872 20 10 FFCDRO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444792 510663690 /nfs/dbraw/zinc/66/36/90/510663690.db2.gz IABDLOBLLGRAAJ-ZBEGNZNMSA-N 1 0 353.825 2.864 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000175676772 510728046 /nfs/dbraw/zinc/72/80/46/510728046.db2.gz VLYSGVXVVDMYMC-CYBMUJFWSA-N 1 0 358.417 2.651 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000276973743 510951083 /nfs/dbraw/zinc/95/10/83/510951083.db2.gz CLNRNYMKLZJEDS-CQSZACIVSA-N 1 0 354.516 2.944 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000278289889 510987601 /nfs/dbraw/zinc/98/76/01/510987601.db2.gz QXZWKNHPRLBPHO-FQEVSTJZSA-N 1 0 371.481 2.658 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000270966977 511040582 /nfs/dbraw/zinc/04/05/82/511040582.db2.gz ZPJWOPMIJOTGOI-UHFFFAOYSA-N 1 0 359.422 2.985 20 10 FFCDRO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162553 511042836 /nfs/dbraw/zinc/04/28/36/511042836.db2.gz BTTXNPXRCZGNKU-UONOGXRCSA-N 1 0 373.409 2.962 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1 ZINC000282648111 511060258 /nfs/dbraw/zinc/06/02/58/511060258.db2.gz KWZPARYTXGDUCN-UHFFFAOYSA-N 1 0 364.530 2.961 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC000289669936 511108999 /nfs/dbraw/zinc/10/89/99/511108999.db2.gz AFVYCCIQBABADW-MSOLQXFVSA-N 1 0 355.482 2.586 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(C)c3O)C2=O)c(OC)c1 ZINC000289892506 511119634 /nfs/dbraw/zinc/11/96/34/511119634.db2.gz SWTIJCKLSLREFZ-SFHVURJKSA-N 1 0 370.449 2.609 20 10 FFCDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)NC(=O)NC1=O ZINC000289960285 511121253 /nfs/dbraw/zinc/12/12/53/511121253.db2.gz ZBKWTKGZIBPPDR-WIYYLYMNSA-N 1 0 370.497 2.630 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000290319385 511133849 /nfs/dbraw/zinc/13/38/49/511133849.db2.gz OCYFKWQNOLSGQV-NSHDSACASA-N 1 0 364.305 2.937 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000295110934 511286032 /nfs/dbraw/zinc/28/60/32/511286032.db2.gz WDPKLZVXIKNKKD-SFHVURJKSA-N 1 0 371.481 2.921 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000271754687 511312467 /nfs/dbraw/zinc/31/24/67/511312467.db2.gz CMWILFMDGVRWGB-LBPRGKRZSA-N 1 0 354.447 2.754 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446693 511525971 /nfs/dbraw/zinc/52/59/71/511525971.db2.gz NXIYVQLHPNALDG-KBXCAEBGSA-N 1 0 371.437 2.718 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCOC1 ZINC000280976936 511675088 /nfs/dbraw/zinc/67/50/88/511675088.db2.gz VVBPIRGCGKBLBK-MOPGFXCFSA-N 1 0 357.450 2.706 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(O)c1C ZINC000363870463 511818992 /nfs/dbraw/zinc/81/89/92/511818992.db2.gz VOPZGRDGIRUJFR-APWZRJJASA-N 1 0 350.528 2.868 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1O ZINC000363918152 511849493 /nfs/dbraw/zinc/84/94/93/511849493.db2.gz IDNDVLHHUUZEMU-UHFFFAOYSA-N 1 0 352.862 2.935 20 10 FFCDRO CCc1nc(C)c(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)o1 ZINC000293548462 512004952 /nfs/dbraw/zinc/00/49/52/512004952.db2.gz YOVOAEBEKBNBMW-UHFFFAOYSA-N 1 0 374.460 2.756 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000297112382 512024360 /nfs/dbraw/zinc/02/43/60/512024360.db2.gz YCIJWTZBOLUWQA-ROUUACIJSA-N 1 0 352.434 2.779 20 10 FFCDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(O)c1O ZINC000275067689 512032408 /nfs/dbraw/zinc/03/24/08/512032408.db2.gz ANQMSKXZMDEVAO-UHFFFAOYSA-N 1 0 371.437 2.501 20 10 FFCDRO C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378429815 512755465 /nfs/dbraw/zinc/75/54/65/512755465.db2.gz TWLLJQOCNHBUBM-RCBQFDQVSA-N 1 0 352.862 2.551 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370782176 513096848 /nfs/dbraw/zinc/09/68/48/513096848.db2.gz RNHJEFSIGNJSNT-SFHVURJKSA-N 1 0 355.429 2.891 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471380048 514858627 /nfs/dbraw/zinc/85/86/27/514858627.db2.gz CKGVIYJDUIKAHX-UHFFFAOYSA-N 1 0 365.477 2.926 20 10 FFCDRO CO[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000511560889 515943882 /nfs/dbraw/zinc/94/38/82/515943882.db2.gz PTGXETLWNWOXJC-NRFANRHFSA-N 1 0 369.509 2.949 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)ccc21 ZINC000578877901 518416854 /nfs/dbraw/zinc/41/68/54/518416854.db2.gz KZZFPNRIQVEBML-KBXCAEBGSA-N 1 0 357.498 2.961 20 10 FFCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824297056 607485405 /nfs/dbraw/zinc/48/54/05/607485405.db2.gz PAXPWSHONGKQOW-UHFFFAOYSA-N 1 0 351.458 2.738 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821831913 606417030 /nfs/dbraw/zinc/41/70/30/606417030.db2.gz SHOQTVXKUQSOSR-UHFFFAOYSA-N 1 0 370.482 2.695 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210508 608502325 /nfs/dbraw/zinc/50/23/25/608502325.db2.gz UKSKULOGEDBUCN-ZDUSSCGKSA-N 1 0 369.425 2.701 20 10 FFCDRO Oc1cccc(Cl)c1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511579 608516107 /nfs/dbraw/zinc/51/61/07/608516107.db2.gz WIWDRGSCRKETDJ-UHFFFAOYSA-N 1 0 370.844 2.548 20 10 FFCDRO Cc1cc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cnc1F ZINC000899260886 735467460 /nfs/dbraw/zinc/46/74/60/735467460.db2.gz UFJFLYQKEXJISV-MDWZMJQESA-N 1 0 351.472 2.825 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000056778742 728104348 /nfs/dbraw/zinc/10/43/48/728104348.db2.gz GOYQOOQZTURXNQ-UHFFFAOYSA-N 1 0 361.511 2.998 20 10 FFCDRO COc1cc(Br)cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC000092616006 728469367 /nfs/dbraw/zinc/46/93/67/728469367.db2.gz FPWXPQQXJLSADT-CQSZACIVSA-N 1 0 355.276 2.833 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1F ZINC000112749968 728548564 /nfs/dbraw/zinc/54/85/64/728548564.db2.gz QILFCVRXTVXYNQ-UHFFFAOYSA-N 1 0 350.482 2.909 20 10 FFCDRO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121038762 728619411 /nfs/dbraw/zinc/61/94/11/728619411.db2.gz WTXSFSFFQRKDNW-MRXNPFEDSA-N 1 0 350.459 2.898 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccc(Br)cc1 ZINC000127722470 728707121 /nfs/dbraw/zinc/70/71/21/728707121.db2.gz CEFXVHDUTHFIHF-AWEZNQCLSA-N 1 0 362.271 2.948 20 10 FFCDRO Cc1nccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000134264448 728729281 /nfs/dbraw/zinc/72/92/81/728729281.db2.gz VJMAXXRPONRUFV-OAHLLOKOSA-N 1 0 360.845 2.538 20 10 FFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000165423597 728972908 /nfs/dbraw/zinc/97/29/08/728972908.db2.gz QSICOJIHBSWWOL-INIZCTEOSA-N 1 0 361.555 2.882 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000182423871 729277385 /nfs/dbraw/zinc/27/73/85/729277385.db2.gz RLXJOJKRWKJXBT-JTQLQIEISA-N 1 0 364.471 2.839 20 10 FFCDRO C[C@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC000184983900 729338876 /nfs/dbraw/zinc/33/88/76/729338876.db2.gz KRKBGUAIYZOZQD-OAHLLOKOSA-N 1 0 350.482 2.955 20 10 FFCDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185256584 729345318 /nfs/dbraw/zinc/34/53/18/729345318.db2.gz LMSLZALMWRIMLJ-AWEZNQCLSA-N 1 0 366.527 2.593 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2O)s1 ZINC000186141814 729361196 /nfs/dbraw/zinc/36/11/96/729361196.db2.gz VPNHOUJXMLNFAC-ZDUSSCGKSA-N 1 0 354.497 2.700 20 10 FFCDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000237106548 729558413 /nfs/dbraw/zinc/55/84/13/729558413.db2.gz OOJOYONQSCKQIY-UHFFFAOYSA-N 1 0 350.260 2.806 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000924718479 738441230 /nfs/dbraw/zinc/44/12/30/738441230.db2.gz YWIXDOKLNGKHIM-LBTNJELSSA-N 1 0 352.450 2.680 20 10 FFCDRO COCCC[NH+]1CCC(NCc2c(O)cccc2Br)CC1 ZINC000858122698 730417158 /nfs/dbraw/zinc/41/71/58/730417158.db2.gz IQHLRGCOLWSOFU-UHFFFAOYSA-N 1 0 357.292 2.745 20 10 FFCDRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3c(O)cccc3Br)C2)cn1 ZINC000858146495 730417838 /nfs/dbraw/zinc/41/78/38/730417838.db2.gz ZLPNWSIJKSFANW-GFCCVEGCSA-N 1 0 365.275 2.647 20 10 FFCDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858172112 730418725 /nfs/dbraw/zinc/41/87/25/730418725.db2.gz JZKHOTSXEICQOZ-MEDUHNTESA-N 1 0 366.259 2.898 20 10 FFCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858186662 730419115 /nfs/dbraw/zinc/41/91/15/730419115.db2.gz IIISGTOPAVUIBO-YWPYICTPSA-N 1 0 358.276 2.810 20 10 FFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862244919 730680991 /nfs/dbraw/zinc/68/09/91/730680991.db2.gz HBVPWYYVVGVSJE-GFCCVEGCSA-N 1 0 354.244 2.930 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1c(O)cccc1Br ZINC000862252510 730682434 /nfs/dbraw/zinc/68/24/34/730682434.db2.gz DAQVQXYQHQWNRR-SRCQZFHVSA-N 1 0 369.303 2.838 20 10 FFCDRO C[NH+](C)CCN(Cc1c(O)cccc1Br)C[C@@H]1CCCO1 ZINC000862366266 730692340 /nfs/dbraw/zinc/69/23/40/730692340.db2.gz GQKWLVIBOIYWLG-ZDUSSCGKSA-N 1 0 357.292 2.697 20 10 FFCDRO CCCn1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000865462601 730958361 /nfs/dbraw/zinc/95/83/61/730958361.db2.gz QIDSMPSCUAPWOT-INIZCTEOSA-N 1 0 363.893 2.801 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(C(F)(F)F)CCCN3)CC2)cc1 ZINC000925859848 738538613 /nfs/dbraw/zinc/53/86/13/738538613.db2.gz SWPVYFOWOWBTEL-QGZVFWFLSA-N 1 0 357.420 2.938 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000873047771 731867963 /nfs/dbraw/zinc/86/79/63/731867963.db2.gz BVZWDXMLUDTTLC-GOSISDBHSA-N 1 0 350.528 2.980 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000873172319 731884724 /nfs/dbraw/zinc/88/47/24/731884724.db2.gz UEMNMSZFJLYWFN-JLYLLQBASA-N 1 0 350.528 2.978 20 10 FFCDRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC000876792726 732281854 /nfs/dbraw/zinc/28/18/54/732281854.db2.gz ZCKTZIUJKSJCRE-UHFFFAOYSA-N 1 0 353.457 2.661 20 10 FFCDRO CCC[C@H](C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000877345689 732347185 /nfs/dbraw/zinc/34/71/85/732347185.db2.gz JRYYXDYXYKWVOQ-MRXNPFEDSA-N 1 0 352.475 2.650 20 10 FFCDRO Cc1ncc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000879212244 732665741 /nfs/dbraw/zinc/66/57/41/732665741.db2.gz XOKHWCNGGHHVRI-HNNXBMFYSA-N 1 0 363.845 2.665 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC000880585012 732927173 /nfs/dbraw/zinc/92/71/73/732927173.db2.gz VCAXXUOGIQEPJT-HNNXBMFYSA-N 1 0 353.846 2.612 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926944079 738670819 /nfs/dbraw/zinc/67/08/19/738670819.db2.gz NIIJMAZWIQTBPL-MAWWSGROSA-N 1 0 372.259 2.618 20 10 FFCDRO CCOCCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000927088653 738689878 /nfs/dbraw/zinc/68/98/78/738689878.db2.gz RHUDUECSVVLMIJ-HNNXBMFYSA-N 1 0 356.894 2.880 20 10 FFCDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(Br)ccc1O ZINC000883308694 733366555 /nfs/dbraw/zinc/36/65/55/733366555.db2.gz VUAILOPIIFGNNV-PWSUYJOCSA-N 1 0 362.289 2.773 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)CC1 ZINC000886324656 733773822 /nfs/dbraw/zinc/77/38/22/733773822.db2.gz BCGBZXLTGNPKER-UHFFFAOYSA-N 1 0 358.873 2.727 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@]2(C)Br)[NH+](C)C)cc1 ZINC000891248124 734404690 /nfs/dbraw/zinc/40/46/90/734404690.db2.gz VWMGPYBVWDUIII-VYDXJSESSA-N 1 0 368.319 2.645 20 10 FFCDRO Cc1csc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891691585 734462965 /nfs/dbraw/zinc/46/29/65/734462965.db2.gz PZXGCZLEONOJRM-MRXNPFEDSA-N 1 0 361.515 2.620 20 10 FFCDRO O=C(Cc1cncs1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676110 738826321 /nfs/dbraw/zinc/82/63/21/738826321.db2.gz BUIRKZJOFNRESJ-AWEZNQCLSA-N 1 0 365.886 2.825 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)c(O)c1OC ZINC000893317943 734685325 /nfs/dbraw/zinc/68/53/25/734685325.db2.gz CSBQCZXIRHBHNS-SHBDPFAUSA-N 1 0 351.443 2.821 20 10 FFCDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731903297 734704503 /nfs/dbraw/zinc/70/45/03/734704503.db2.gz ICAPJYYMMFHYRY-CYBMUJFWSA-N 1 0 365.821 2.764 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@H](O)c2ccsc2)c2cc(F)ccc2n1C ZINC000894281623 734829998 /nfs/dbraw/zinc/82/99/98/734829998.db2.gz QUZRAZJMEAIIOH-MRXNPFEDSA-N 1 0 362.426 2.989 20 10 FFCDRO COc1ccc(CN(C)Cc2csc(C(C)(C)O)n2)c(O)c1OC ZINC000894767606 734913509 /nfs/dbraw/zinc/91/35/09/734913509.db2.gz FJCBCPBGKCOMFS-UHFFFAOYSA-N 1 0 352.456 2.725 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000894847432 734926803 /nfs/dbraw/zinc/92/68/03/734926803.db2.gz ZNOSSEIRZKTGSJ-UHFFFAOYSA-N 1 0 360.479 2.600 20 10 FFCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000895836698 735062144 /nfs/dbraw/zinc/06/21/44/735062144.db2.gz FOTXEOFRBVTIPJ-GFCCVEGCSA-N 1 0 354.166 2.901 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000897229880 735209037 /nfs/dbraw/zinc/20/90/37/735209037.db2.gz YDTQQJFBVMVCLA-MRXNPFEDSA-N 1 0 369.303 2.806 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1C ZINC000897274316 735214136 /nfs/dbraw/zinc/21/41/36/735214136.db2.gz GRSHGRZPYNIVDL-UHFFFAOYSA-N 1 0 366.527 2.789 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000897744375 735272338 /nfs/dbraw/zinc/27/23/38/735272338.db2.gz ZOZYXGPTPFTLIM-LBPRGKRZSA-N 1 0 371.861 2.892 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCSC2)ccc1N1CCCCC1 ZINC000747622816 735575202 /nfs/dbraw/zinc/57/52/02/735575202.db2.gz ZAYAGPPCZZDCOB-QGZVFWFLSA-N 1 0 351.472 2.543 20 10 FFCDRO C[NH+](C)[C@]1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCSC1 ZINC000748647537 735661502 /nfs/dbraw/zinc/66/15/02/735661502.db2.gz PBIXEXGSTRJLNB-IBGZPJMESA-N 1 0 363.527 2.508 20 10 FFCDRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1=CC(=O)CS1 ZINC000754421689 736158722 /nfs/dbraw/zinc/15/87/22/736158722.db2.gz YKMXSRGBEQWFQC-UHFFFAOYSA-N 1 0 364.442 2.866 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000756458710 736332997 /nfs/dbraw/zinc/33/29/97/736332997.db2.gz KDJVYPFTLHGAEG-YPMHNXCESA-N 1 0 365.813 2.865 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756746242 736357653 /nfs/dbraw/zinc/35/76/53/736357653.db2.gz IUDZFPWXPBMEQS-ABAIWWIYSA-N 1 0 368.474 2.626 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000759601859 736580083 /nfs/dbraw/zinc/58/00/83/736580083.db2.gz PFNGKOQSBKZJSD-CQSZACIVSA-N 1 0 354.545 2.895 20 10 FFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760890646 736677766 /nfs/dbraw/zinc/67/77/66/736677766.db2.gz XZFUOPFAKNNGPG-DKSSEZFCSA-N 1 0 352.450 2.507 20 10 FFCDRO CCC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC[N@@H+]1CCOC ZINC000761203901 736707402 /nfs/dbraw/zinc/70/74/02/736707402.db2.gz NCVZFZATSAQROG-INIZCTEOSA-N 1 0 356.894 2.987 20 10 FFCDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000762786383 736867476 /nfs/dbraw/zinc/86/74/76/736867476.db2.gz MYDPMKOUTHKIGE-UHFFFAOYSA-N 1 0 360.248 2.985 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765859355 737167710 /nfs/dbraw/zinc/16/77/10/737167710.db2.gz KERIGWDHTPEIBA-CVEARBPZSA-N 1 0 367.921 2.548 20 10 FFCDRO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765906456 737171559 /nfs/dbraw/zinc/17/15/59/737171559.db2.gz DXGRSVSKERPBDQ-SSOJOUAXSA-N 1 0 358.507 2.982 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000912110735 737266284 /nfs/dbraw/zinc/26/62/84/737266284.db2.gz RYRWZWUBAVZYRD-UHFFFAOYSA-N 1 0 357.420 2.985 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000768445884 737423271 /nfs/dbraw/zinc/42/32/71/737423271.db2.gz IYWOECXFXIHWQG-OAHLLOKOSA-N 1 0 356.388 2.866 20 10 FFCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000768596304 737438323 /nfs/dbraw/zinc/43/83/23/737438323.db2.gz FZQYHQKDFDZHSZ-AEFFLSMTSA-N 1 0 350.528 2.837 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3Nc4cccc(Cl)c4C(=O)N3)cc2)CC1 ZINC000771517983 737732122 /nfs/dbraw/zinc/73/21/22/737732122.db2.gz LIIBGNQSWOHWDD-SFHVURJKSA-N 1 0 356.857 2.946 20 10 FFCDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773044706 737865368 /nfs/dbraw/zinc/86/53/68/737865368.db2.gz REICTUVFLGACTN-XXAQJILISA-N 1 0 358.935 2.984 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773132529 737874169 /nfs/dbraw/zinc/87/41/69/737874169.db2.gz ORACRVDUVZKEEV-MZMPZRCHSA-N 1 0 365.905 2.742 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1O ZINC000775525224 738099300 /nfs/dbraw/zinc/09/93/00/738099300.db2.gz FDVSZXSQYDDQLC-JSGCOSHPSA-N 1 0 350.850 2.839 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c1 ZINC000775779706 738124135 /nfs/dbraw/zinc/12/41/35/738124135.db2.gz FAPBJSKVNFMTEU-QGZVFWFLSA-N 1 0 361.511 2.541 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000776250010 738174610 /nfs/dbraw/zinc/17/46/10/738174610.db2.gz BXLBJKCIOKVDKG-UHFFFAOYSA-N 1 0 351.855 2.974 20 10 FFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000776868116 738240097 /nfs/dbraw/zinc/24/00/97/738240097.db2.gz GWGWYOVYVCQJJT-DJSGYFEHSA-N 1 0 374.275 2.626 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929755590 739018927 /nfs/dbraw/zinc/01/89/27/739018927.db2.gz PWIYRFYUYVSYPT-IVMMDQJWSA-N 1 0 356.260 2.781 20 10 FFCDRO CO[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000786831548 739080153 /nfs/dbraw/zinc/08/01/53/739080153.db2.gz QQBFTMPSDFUAIH-HNNXBMFYSA-N 1 0 350.356 2.719 20 10 FFCDRO C[NH+]1CCC(n2ccc(NC(=O)NCc3cccc(Cl)c3O)n2)CC1 ZINC000931126197 739216098 /nfs/dbraw/zinc/21/60/98/739216098.db2.gz MERZNJAJEXMQSO-UHFFFAOYSA-N 1 0 363.849 2.831 20 10 FFCDRO OCC1(C(F)(F)F)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000932829548 739527415 /nfs/dbraw/zinc/52/74/15/739527415.db2.gz COSDMOUKOBDNLW-UHFFFAOYSA-N 1 0 358.404 2.660 20 10 FFCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303871 740129136 /nfs/dbraw/zinc/12/91/36/740129136.db2.gz FJYXRRZXWGGGGH-INIZCTEOSA-N 1 0 358.507 2.772 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000797117248 740213726 /nfs/dbraw/zinc/21/37/26/740213726.db2.gz LYGKLZGMYWJHEY-ROUUACIJSA-N 1 0 353.532 2.607 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000797119706 740214515 /nfs/dbraw/zinc/21/45/15/740214515.db2.gz TZKKBRBDFGSCPX-WMLDXEAASA-N 1 0 366.527 2.736 20 10 FFCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000799727473 740445489 /nfs/dbraw/zinc/44/54/89/740445489.db2.gz LFKCXZKKJOQPML-ZLOXQWCVSA-N 1 0 356.919 2.738 20 10 FFCDRO Cc1cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)ccc1N(C)C ZINC000815107756 741902084 /nfs/dbraw/zinc/90/20/84/741902084.db2.gz TYTZSZWFZNYCHH-UHFFFAOYSA-N 1 0 357.420 2.952 20 10 FFCDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cc(Cl)c(F)cc1O ZINC000816527535 742038568 /nfs/dbraw/zinc/03/85/68/742038568.db2.gz OEUIIIKVGAZYMQ-UHFFFAOYSA-N 1 0 351.809 2.957 20 10 FFCDRO O=S(=O)(NCC[NH2+]Cc1ccc2ccccc2c1O)c1cccs1 ZINC000816557820 742041991 /nfs/dbraw/zinc/04/19/91/742041991.db2.gz BZOLYICKOIUDBG-UHFFFAOYSA-N 1 0 362.476 2.675 20 10 FFCDRO CCCN1C[C@H](C[NH2+]Cc2cc(Br)cc(C)c2O)CC1=O ZINC000817410832 742139261 /nfs/dbraw/zinc/13/92/61/742139261.db2.gz HWGUAQZFJDTPOT-LBPRGKRZSA-N 1 0 355.276 2.811 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Br)cc(Br)c1[O-] ZINC000817971292 742225615 /nfs/dbraw/zinc/22/56/15/742225615.db2.gz CAKMSAQUAVFENF-NKWVEPMBSA-N 1 0 352.070 2.915 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000818965491 742316606 /nfs/dbraw/zinc/31/66/06/742316606.db2.gz AVGKSNAKQNCFOV-YRGRVCCFSA-N 1 0 364.383 2.842 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000818972086 742317677 /nfs/dbraw/zinc/31/76/77/742317677.db2.gz CYRJKRINNIHFPZ-HXUWFJFHSA-N 1 0 360.885 2.870 20 10 FFCDRO CCOCC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120881 742339947 /nfs/dbraw/zinc/33/99/47/742339947.db2.gz ROUSANLYLRFPFQ-GDBMZVCRSA-N 1 0 358.429 2.634 20 10 FFCDRO C[NH+](C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1cccs1 ZINC000819166308 742346685 /nfs/dbraw/zinc/34/66/85/742346685.db2.gz TTZNWQJOQNAFAG-AWEZNQCLSA-N 1 0 359.451 2.521 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2Cl)C1 ZINC000819291051 742368942 /nfs/dbraw/zinc/36/89/42/742368942.db2.gz PZQZJIJPBNBAKM-WBVHZDCISA-N 1 0 362.905 2.924 20 10 FFCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290652 742369029 /nfs/dbraw/zinc/36/90/29/742369029.db2.gz KELWGLLJNDYSEC-NVXWUHKLSA-N 1 0 370.921 2.690 20 10 FFCDRO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000824479683 743088152 /nfs/dbraw/zinc/08/81/52/743088152.db2.gz ZILWEMDEPQBXKS-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)c(C(F)(F)F)c1 ZINC000824582985 743111277 /nfs/dbraw/zinc/11/12/77/743111277.db2.gz GNGXQPZDBCZUIQ-INIZCTEOSA-N 1 0 359.436 2.708 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1Cl ZINC000824701716 743130577 /nfs/dbraw/zinc/13/05/77/743130577.db2.gz FNKHVVQYMWRHOH-INIZCTEOSA-N 1 0 352.862 2.567 20 10 FFCDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825045854 743201229 /nfs/dbraw/zinc/20/12/29/743201229.db2.gz MRQXJWVDAQBFKS-XJKSGUPXSA-N 1 0 366.259 2.898 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000825144161 743218113 /nfs/dbraw/zinc/21/81/13/743218113.db2.gz LMJHBPJVYCUDQF-ZDUSSCGKSA-N 1 0 365.813 2.612 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000826043614 743360931 /nfs/dbraw/zinc/36/09/31/743360931.db2.gz MDVBZLYMAVVHKF-YUELXQCFSA-N 1 0 356.260 2.517 20 10 FFCDRO CCOC(=O)CC1([NH2+]Cc2cc(Br)ccc2O)CCOCC1 ZINC000827758148 744972197 /nfs/dbraw/zinc/97/21/97/744972197.db2.gz YLWLYUGFTCUMBI-UHFFFAOYSA-N 1 0 372.259 2.747 20 10 FFCDRO C[NH+](C)CCC[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000827855728 744991738 /nfs/dbraw/zinc/99/17/38/744991738.db2.gz GXOZAAOBEHNHNU-HNNXBMFYSA-N 1 0 357.292 2.697 20 10 FFCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@](C)(C(F)F)O1 ZINC000827955262 745007139 /nfs/dbraw/zinc/00/71/39/745007139.db2.gz CMUWLJAUHCKPJG-HNAYVOBHSA-N 1 0 353.457 2.683 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000830636914 745395875 /nfs/dbraw/zinc/39/58/75/745395875.db2.gz HGMBZTVBYVKZPL-UHFFFAOYSA-N 1 0 352.862 2.545 20 10 FFCDRO [NH3+][C@@H](CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000830664616 745400343 /nfs/dbraw/zinc/40/03/43/745400343.db2.gz KUEPMFUCZSRWHL-BBRMVZONSA-N 1 0 353.413 2.500 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2sccc2OC(F)F)cc1 ZINC000832273593 745669599 /nfs/dbraw/zinc/66/95/99/745669599.db2.gz PAGSJMUMTNBSAC-GFCCVEGCSA-N 1 0 355.410 2.845 20 10 FFCDRO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300224 745674766 /nfs/dbraw/zinc/67/47/66/745674766.db2.gz PBLNCERDPQGTRG-CXAGYDPISA-N 1 0 361.873 2.990 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(O)c1 ZINC000834839559 745912038 /nfs/dbraw/zinc/91/20/38/745912038.db2.gz AZIMJVFGVJUOKL-GFCCVEGCSA-N 1 0 351.244 2.976 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834878547 745917646 /nfs/dbraw/zinc/91/76/46/745917646.db2.gz KPLKBTDRNKBJQF-HOCLYGCPSA-N 1 0 371.522 2.794 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000834892925 745920944 /nfs/dbraw/zinc/92/09/44/745920944.db2.gz XOMLOEGENONHRI-GFCCVEGCSA-N 1 0 361.891 2.598 20 10 FFCDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000835046289 745939181 /nfs/dbraw/zinc/93/91/81/745939181.db2.gz QALKZMHOWLWRBM-BWPKMQGJSA-N 1 0 355.404 2.766 20 10 FFCDRO CCn1ncc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000838973250 746747812 /nfs/dbraw/zinc/74/78/12/746747812.db2.gz WIIOUTZPJHBAEB-ZDUSSCGKSA-N 1 0 351.401 2.658 20 10 FFCDRO CCC[NH+]1CCC(NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839146246 746787967 /nfs/dbraw/zinc/78/79/67/746787967.db2.gz AISQOFRODRCDLL-UHFFFAOYSA-N 1 0 353.457 2.765 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)c1 ZINC000840884469 747211708 /nfs/dbraw/zinc/21/17/08/747211708.db2.gz NFYUJQSMLPVQHP-UHFFFAOYSA-N 1 0 354.859 2.552 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000840929774 747231173 /nfs/dbraw/zinc/23/11/73/747231173.db2.gz GDHIDCNQARZSAX-UHFFFAOYSA-N 1 0 361.511 2.601 20 10 FFCDRO CS(=O)(=O)CC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000840974832 747247742 /nfs/dbraw/zinc/24/77/42/747247742.db2.gz INKVBCDWCORJPN-UHFFFAOYSA-N 1 0 350.528 2.981 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1O ZINC000841746296 747447606 /nfs/dbraw/zinc/44/76/06/747447606.db2.gz XTLYOAMKYPTBJW-AAEUAGOBSA-N 1 0 365.813 2.865 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Cl)cc1O ZINC000841753426 747449572 /nfs/dbraw/zinc/44/95/72/747449572.db2.gz SYSHUXGTDKCZSN-GFCCVEGCSA-N 1 0 369.870 2.662 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)cc1F ZINC000841761722 747452622 /nfs/dbraw/zinc/45/26/22/747452622.db2.gz RTVLVMZFQGNWHM-UHFFFAOYSA-N 1 0 350.482 2.942 20 10 FFCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841895464 747484326 /nfs/dbraw/zinc/48/43/26/747484326.db2.gz CPWOSKITBJPNTL-CQSZACIVSA-N 1 0 352.910 2.985 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000842007485 747500602 /nfs/dbraw/zinc/50/06/02/747500602.db2.gz YQKSLCCNFQCSGD-INIZCTEOSA-N 1 0 354.445 2.671 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843124300 747777451 /nfs/dbraw/zinc/77/74/51/747777451.db2.gz XTWJAFMIHWURJF-INIZCTEOSA-N 1 0 355.276 2.739 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1O ZINC000846139097 748414644 /nfs/dbraw/zinc/41/46/44/748414644.db2.gz PYUVCPFNBCARKV-GFCCVEGCSA-N 1 0 350.440 2.623 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206929 748430475 /nfs/dbraw/zinc/43/04/75/748430475.db2.gz VVHGRADFWJJAHL-QWRGUYRKSA-N 1 0 353.260 2.816 20 10 FFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848547111 748956592 /nfs/dbraw/zinc/95/65/92/748956592.db2.gz KANJZSZBDFQMBA-VHSXEESVSA-N 1 0 359.264 2.681 20 10 FFCDRO [NH3+]C[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000848596072 748970306 /nfs/dbraw/zinc/97/03/06/748970306.db2.gz RYHRKGZELWRARS-AWEZNQCLSA-N 1 0 357.332 2.587 20 10 FFCDRO COC[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)OC ZINC000850345334 749345942 /nfs/dbraw/zinc/34/59/42/749345942.db2.gz UYENXIMNFXYEOV-MRXNPFEDSA-N 1 0 351.447 2.726 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1F ZINC000850344974 749346242 /nfs/dbraw/zinc/34/62/42/749346242.db2.gz DKTOSABDCVYELZ-UHFFFAOYSA-N 1 0 356.507 2.976 20 10 FFCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000850550524 749386364 /nfs/dbraw/zinc/38/63/64/749386364.db2.gz PYWSRBWETLAFKS-CYBMUJFWSA-N 1 0 355.866 2.525 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000397451593 845868759 /nfs/dbraw/zinc/86/87/59/845868759.db2.gz NNCQFAVLMRTFOE-LBPRGKRZSA-N 1 0 356.850 2.771 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275836766 1013057818 /nfs/dbraw/zinc/05/78/18/1013057818.db2.gz GLHFERDXAXEHOB-LIRRHRJNSA-N 1 0 366.889 2.895 20 10 FFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837680 1013067454 /nfs/dbraw/zinc/06/74/54/1013067454.db2.gz LKVMILPHGFIDQX-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO Oc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511580 948434443 /nfs/dbraw/zinc/43/44/43/948434443.db2.gz WLQLWAQBZDYOQD-UHFFFAOYSA-N 1 0 369.400 2.755 20 10 FFCDRO Cc1nc(CC2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)no1 ZINC000896549248 971570829 /nfs/dbraw/zinc/57/08/29/971570829.db2.gz HPVPKOJWFBBDOT-UHFFFAOYSA-N 1 0 370.497 2.794 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000783219898 971622241 /nfs/dbraw/zinc/62/22/41/971622241.db2.gz BJIYNGDOSWDGBF-ICSRJNTNSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001026962826 972201288 /nfs/dbraw/zinc/20/12/88/972201288.db2.gz VSUDOGUDLYFQLT-XODKDNOYSA-N 1 0 372.509 2.757 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ncc[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000773407635 1013317488 /nfs/dbraw/zinc/31/74/88/1013317488.db2.gz ABANUCNPJJXKLC-INIZCTEOSA-N 1 0 359.474 2.831 20 10 FFCDRO CC(C)[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891241458 962527029 /nfs/dbraw/zinc/52/70/29/962527029.db2.gz ARIPQXHTIPYUHG-HOJAQTOUSA-N 1 0 361.530 2.923 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(F)F)ncn2)[NH+](C)C)cc1 ZINC000891241439 962527924 /nfs/dbraw/zinc/52/79/24/962527924.db2.gz AJWGSHMSFLIDTH-MRXNPFEDSA-N 1 0 363.412 2.513 20 10 FFCDRO Cc1cc(C)n(CCCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891243734 962543526 /nfs/dbraw/zinc/54/35/26/962543526.db2.gz UMQZDOUUFCJORE-HXUWFJFHSA-N 1 0 371.529 2.765 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2onc3c2CCCC3)[NH+](C)C)cc1 ZINC000891246288 962567667 /nfs/dbraw/zinc/56/76/67/962567667.db2.gz BWEHKIZAWFFIPL-SFHVURJKSA-N 1 0 356.470 2.652 20 10 FFCDRO CC(C)c1nn(C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252059 962598554 /nfs/dbraw/zinc/59/85/54/962598554.db2.gz FKYBRVBGILRUFO-SFHVURJKSA-N 1 0 357.502 2.642 20 10 FFCDRO Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc2nccn12 ZINC000891254649 962612099 /nfs/dbraw/zinc/61/20/99/962612099.db2.gz ZVKQKDFXVLLMGZ-INIZCTEOSA-N 1 0 371.510 2.803 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)cc1Cn1cccn1 ZINC000873051810 1013365477 /nfs/dbraw/zinc/36/54/77/1013365477.db2.gz HMBBOSRJYQMNMX-IBGZPJMESA-N 1 0 355.413 2.902 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001276063720 1013386512 /nfs/dbraw/zinc/38/65/12/1013386512.db2.gz KOAHITPYWIYPDP-FQEVSTJZSA-N 1 0 364.461 2.772 20 10 FFCDRO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001276063666 1013386562 /nfs/dbraw/zinc/38/65/62/1013386562.db2.gz IYVGCPFSCOYUKW-IBGZPJMESA-N 1 0 350.434 2.525 20 10 FFCDRO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276063969 1013387689 /nfs/dbraw/zinc/38/76/89/1013387689.db2.gz NUBQVUMKSFHHPM-INIZCTEOSA-N 1 0 364.461 2.675 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnc(OC(F)(F)F)cn3)cc2)CC1 ZINC001167431031 963084380 /nfs/dbraw/zinc/08/43/80/963084380.db2.gz CBWNQBLYMPRRLK-UHFFFAOYSA-N 1 0 367.375 2.739 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001276077874 1013409650 /nfs/dbraw/zinc/40/96/50/1013409650.db2.gz WIEIPFRIUXPXKP-LBPRGKRZSA-N 1 0 353.260 2.503 20 10 FFCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894298091 964324482 /nfs/dbraw/zinc/32/44/82/964324482.db2.gz GFDBVUXRZWSRIW-WMLDXEAASA-N 1 0 373.449 2.919 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891580215 964516791 /nfs/dbraw/zinc/51/67/91/964516791.db2.gz CEUKWYNNUGHDFR-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC2(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000894782177 965691571 /nfs/dbraw/zinc/69/15/71/965691571.db2.gz JOJJXBXJRTWJCV-HNNXBMFYSA-N 1 0 372.435 2.997 20 10 FFCDRO COc1ccc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)c(O)c1OC ZINC000892261369 966510300 /nfs/dbraw/zinc/51/03/00/966510300.db2.gz AGUPXTOQZASVRC-UHFFFAOYSA-N 1 0 371.481 2.769 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cn2ccnc2)cc1C ZINC001087251435 968110366 /nfs/dbraw/zinc/11/03/66/968110366.db2.gz VDQIMTUBEAJVBJ-APWZRJJASA-N 1 0 370.497 2.617 20 10 FFCDRO O=C1N[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CC[C@@H]2CO1 ZINC000281173293 968313373 /nfs/dbraw/zinc/31/33/73/968313373.db2.gz GZOPYDHQCQCHIO-MJGOQNOKSA-N 1 0 368.433 2.902 20 10 FFCDRO CCCc1ncc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000895229285 968524678 /nfs/dbraw/zinc/52/46/78/968524678.db2.gz DYZUNVRPYBLPJX-GOSISDBHSA-N 1 0 373.501 2.795 20 10 FFCDRO CCOc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179586684 968977818 /nfs/dbraw/zinc/97/78/18/968977818.db2.gz NVMIWEQDQATOJK-UHFFFAOYSA-N 1 0 369.465 2.547 20 10 FFCDRO COc1cccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+]2CCCC2)c1 ZINC000177658482 969293563 /nfs/dbraw/zinc/29/35/63/969293563.db2.gz IDRNKTDZAHMKPZ-SFHVURJKSA-N 1 0 370.449 2.982 20 10 FFCDRO [NH3+][C@H](CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000165411022 969809015 /nfs/dbraw/zinc/80/90/15/969809015.db2.gz MALYYRVHYLYRIS-LJQANCHMSA-N 1 0 371.456 2.759 20 10 FFCDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892698233 970074350 /nfs/dbraw/zinc/07/43/50/970074350.db2.gz ZHJYKCMTOOFBGL-UHFFFAOYSA-N 1 0 358.438 2.548 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)cc1C ZINC001104732128 970192750 /nfs/dbraw/zinc/19/27/50/970192750.db2.gz PGIQVBQJNGAPAW-SJLPKXTDSA-N 1 0 370.497 2.544 20 10 FFCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2C1 ZINC000895576855 970756340 /nfs/dbraw/zinc/75/63/40/970756340.db2.gz UUZIYOAWPVMRLB-BGYRXZFFSA-N 1 0 366.461 2.881 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(C)([NH3+])CC2)CCCC1 ZINC000653132943 1014235411 /nfs/dbraw/zinc/23/54/11/1014235411.db2.gz OHSCFGWTZBJEAN-UHFFFAOYSA-N 1 0 355.482 2.869 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000653128749 1014233902 /nfs/dbraw/zinc/23/39/02/1014233902.db2.gz WVQZAXHXFPZBMJ-HUUCEWRRSA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC2(C)CC[NH2+]CC2)CCCC1 ZINC000653134691 1014235103 /nfs/dbraw/zinc/23/51/03/1014235103.db2.gz HWHFFVROPPYCNK-UHFFFAOYSA-N 1 0 355.482 2.787 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000876523959 1014292279 /nfs/dbraw/zinc/29/22/79/1014292279.db2.gz HFRKGVOAJWNAKU-UHFFFAOYSA-N 1 0 351.494 2.970 20 10 FFCDRO Oc1ccc(N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)cc1 ZINC000876525873 1014293339 /nfs/dbraw/zinc/29/33/39/1014293339.db2.gz PMZDSHSXNCSVRI-UHFFFAOYSA-N 1 0 367.493 2.676 20 10 FFCDRO Cn1c2cc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)ccc2oc1=O ZINC000876551422 1014300072 /nfs/dbraw/zinc/30/00/72/1014300072.db2.gz RCOGPXUYZOLBGG-UHFFFAOYSA-N 1 0 367.449 2.600 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cnc4c(cnn4C)c3)CC2)cc1 ZINC000876632251 1014331352 /nfs/dbraw/zinc/33/13/52/1014331352.db2.gz RLZZCIJNFFRQJY-UHFFFAOYSA-N 1 0 351.454 2.689 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[NH+](C)C)cc1 ZINC000899097980 976902301 /nfs/dbraw/zinc/90/23/01/976902301.db2.gz JWEAIKBKBWSZIK-LJQANCHMSA-N 1 0 368.481 2.786 20 10 FFCDRO CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102578 976914623 /nfs/dbraw/zinc/91/46/23/976914623.db2.gz QWZLROINGWOJMF-FQEVSTJZSA-N 1 0 369.513 2.982 20 10 FFCDRO OCC[N@H+](CCc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876734975 1014371391 /nfs/dbraw/zinc/37/13/91/1014371391.db2.gz BKCIZEVFXDZSMQ-UHFFFAOYSA-N 1 0 354.494 2.685 20 10 FFCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876742160 1014373277 /nfs/dbraw/zinc/37/32/77/1014373277.db2.gz RGKLIANRDAVMRB-JKSUJKDBSA-N 1 0 367.440 2.746 20 10 FFCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876916065 1014419632 /nfs/dbraw/zinc/41/96/32/1014419632.db2.gz JLOQXBGAWFHZLB-UHFFFAOYSA-N 1 0 367.493 2.639 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccc(F)cc1 ZINC000876966553 1014434607 /nfs/dbraw/zinc/43/46/07/1014434607.db2.gz UBYVVHCZDRHBOH-IBGZPJMESA-N 1 0 372.484 2.728 20 10 FFCDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)ccn1 ZINC000876965868 1014435191 /nfs/dbraw/zinc/43/51/91/1014435191.db2.gz MHPPYKRWKYRIFT-OAHLLOKOSA-N 1 0 373.472 2.911 20 10 FFCDRO COc1cnc(F)c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000876965195 1014435199 /nfs/dbraw/zinc/43/51/99/1014435199.db2.gz DRUJMWAASDBHQP-UHFFFAOYSA-N 1 0 359.445 2.728 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[nH]c1C ZINC000876965935 1014435238 /nfs/dbraw/zinc/43/52/38/1014435238.db2.gz NLRUHGVAWIDCAG-UHFFFAOYSA-N 1 0 371.481 2.608 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000876997684 1014445638 /nfs/dbraw/zinc/44/56/38/1014445638.db2.gz DRMGQMVSZVTXLU-DLBZAZTESA-N 1 0 359.514 2.527 20 10 FFCDRO COC(=O)c1c(CNC2CC[NH+](C3CC3)CC2)c2cc(F)ccc2n1C ZINC000894162960 978034284 /nfs/dbraw/zinc/03/42/84/978034284.db2.gz CXVXLGFFBMLGIC-UHFFFAOYSA-N 1 0 359.445 2.820 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+]Cc3cccc(S(N)(=O)=O)c3)cc2)CC1 ZINC000877024585 1014452741 /nfs/dbraw/zinc/45/27/41/1014452741.db2.gz INLUNXUVHLYTDJ-UHFFFAOYSA-N 1 0 373.522 2.860 20 10 FFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877464135 1014591138 /nfs/dbraw/zinc/59/11/38/1014591138.db2.gz GXIAODJIWJXKOH-HXUWFJFHSA-N 1 0 354.494 2.649 20 10 FFCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877567583 1014629588 /nfs/dbraw/zinc/62/95/88/1014629588.db2.gz YLMOHTLRKQGOLA-UXHICEINSA-N 1 0 360.498 2.859 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@](C)(O)c1ccccc1 ZINC000877598736 1014639671 /nfs/dbraw/zinc/63/96/71/1014639671.db2.gz KISVAWQYNDVGDX-JOCHJYFZSA-N 1 0 354.494 2.987 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[nH]1 ZINC000877598819 1014640829 /nfs/dbraw/zinc/64/08/29/1014640829.db2.gz TYQRAMARGVRQGA-OAHLLOKOSA-N 1 0 357.454 2.816 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1OC ZINC000897405435 980409144 /nfs/dbraw/zinc/40/91/44/980409144.db2.gz CWEZHJVVNTXJBY-AWEZNQCLSA-N 1 0 366.458 2.851 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)CC3(O)CCCCC3)C2)cc1 ZINC000905288179 980414741 /nfs/dbraw/zinc/41/47/41/980414741.db2.gz AVAGXGKLXXEVAY-HKUYNNGSSA-N 1 0 362.514 2.557 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000906739015 981134472 /nfs/dbraw/zinc/13/44/72/981134472.db2.gz MMTQEMVMRXUKEL-FQEVSTJZSA-N 1 0 373.541 2.634 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000841947056 982455282 /nfs/dbraw/zinc/45/52/82/982455282.db2.gz MNZPMCBSQLZYAE-LJQANCHMSA-N 1 0 356.470 2.795 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000841959444 982471318 /nfs/dbraw/zinc/47/13/18/982471318.db2.gz OHWGAONCBJYABM-UHFFFAOYSA-N 1 0 370.497 2.593 20 10 FFCDRO CCN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878241779 1014940990 /nfs/dbraw/zinc/94/09/90/1014940990.db2.gz ZLFAZFFUBSEAGE-OAHLLOKOSA-N 1 0 374.403 2.784 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCCCC1)C[C@@H]1CCCO1 ZINC000878240587 1014941371 /nfs/dbraw/zinc/94/13/71/1014941371.db2.gz IPZWIFIDYQWSEJ-OALUTQOASA-N 1 0 363.498 2.819 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1 ZINC000056352337 984432174 /nfs/dbraw/zinc/43/21/74/984432174.db2.gz UINLTXCPLJFUCW-IBGZPJMESA-N 1 0 354.498 2.725 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000764811399 984728579 /nfs/dbraw/zinc/72/85/79/984728579.db2.gz SUFLFBDEWNCREC-LJQANCHMSA-N 1 0 356.466 2.694 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000996825599 984731471 /nfs/dbraw/zinc/73/14/71/984731471.db2.gz UCIGMDDWGNQIRB-MOPGFXCFSA-N 1 0 360.498 2.899 20 10 FFCDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000764925328 984821729 /nfs/dbraw/zinc/82/17/29/984821729.db2.gz NEKYBMSLPPUAHZ-LJQANCHMSA-N 1 0 372.557 2.882 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765361481 985044444 /nfs/dbraw/zinc/04/44/44/985044444.db2.gz VUOGYEHVJSDNCY-UZLBHIALSA-N 1 0 358.482 2.990 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)Nc3ccccn3)CC2)cc1 ZINC000765405091 985074371 /nfs/dbraw/zinc/07/43/71/985074371.db2.gz VWPTYWMZBKNWFK-UHFFFAOYSA-N 1 0 354.454 2.677 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2F)CC1 ZINC000921587738 985413885 /nfs/dbraw/zinc/41/38/85/985413885.db2.gz UORKXNYRUFQMTF-UHFFFAOYSA-N 1 0 358.461 2.998 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cnn(C4CCC4)c3)CC2)cc1 ZINC000921607597 985422515 /nfs/dbraw/zinc/42/25/15/985422515.db2.gz KJGYJOOTLDECGA-UHFFFAOYSA-N 1 0 369.513 2.529 20 10 FFCDRO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000173383794 985813591 /nfs/dbraw/zinc/81/35/91/985813591.db2.gz GWKNYAVQIRQWOY-MRXNPFEDSA-N 1 0 374.485 2.807 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000174439704 986226380 /nfs/dbraw/zinc/22/63/80/986226380.db2.gz JVVWSRLIUIZBQD-UHFFFAOYSA-N 1 0 366.509 2.581 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000174466509 986229168 /nfs/dbraw/zinc/22/91/68/986229168.db2.gz ZOMRUOKHVWORJO-QGZVFWFLSA-N 1 0 370.449 2.560 20 10 FFCDRO Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000913683220 986820055 /nfs/dbraw/zinc/82/00/55/986820055.db2.gz SNYFPCAOSFOMPF-UHFFFAOYSA-N 1 0 373.472 2.762 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000761641661 987649648 /nfs/dbraw/zinc/64/96/48/987649648.db2.gz WYHZSUWENURLKN-UHFFFAOYSA-N 1 0 358.442 2.735 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000153209916 987776707 /nfs/dbraw/zinc/77/67/07/987776707.db2.gz AOAJDHCHQSHMAV-UHFFFAOYSA-N 1 0 364.486 2.546 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153278930 987838840 /nfs/dbraw/zinc/83/88/40/987838840.db2.gz UIJIKZOHZXWZCQ-PBHICJAKSA-N 1 0 358.438 2.572 20 10 FFCDRO CC[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000153812858 989729802 /nfs/dbraw/zinc/72/98/02/989729802.db2.gz CJEVBXYZPJGKKG-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000916624874 989844820 /nfs/dbraw/zinc/84/48/20/989844820.db2.gz VPVKHOGVMFBCBO-MOPGFXCFSA-N 1 0 374.554 2.666 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C3CCCC3)CC2)cc1 ZINC000917836220 990281890 /nfs/dbraw/zinc/28/18/90/990281890.db2.gz LEMYKFVXHUUAHV-OAQYLSRUSA-N 1 0 371.525 2.998 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000918907183 990522429 /nfs/dbraw/zinc/52/24/29/990522429.db2.gz VWTVYAOMTWTWGC-LJQANCHMSA-N 1 0 371.525 2.794 20 10 FFCDRO CN(C)C(=O)COc1ccccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155192257 990804006 /nfs/dbraw/zinc/80/40/06/990804006.db2.gz KBQWOWRZXHRQOT-UHFFFAOYSA-N 1 0 355.482 2.852 20 10 FFCDRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879650914 1015625035 /nfs/dbraw/zinc/62/50/35/1015625035.db2.gz WOVMASAYNFYTLG-ZDUSSCGKSA-N 1 0 357.410 2.538 20 10 FFCDRO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2ccccc2O)c1OC ZINC000879648772 1015625064 /nfs/dbraw/zinc/62/50/64/1015625064.db2.gz CZWPMQNUSHKQBM-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000180588073 991517423 /nfs/dbraw/zinc/51/74/23/991517423.db2.gz XCTAVFJHHNZZMV-OAHLLOKOSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182469810 992062595 /nfs/dbraw/zinc/06/25/95/992062595.db2.gz BKNPFPJQCPBHTO-LBPRGKRZSA-N 1 0 359.382 2.988 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000072591600 993195658 /nfs/dbraw/zinc/19/56/58/993195658.db2.gz OUFGKSFEXDVMFS-ICSRJNTNSA-N 1 0 357.450 2.813 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1O ZINC000809748338 994602614 /nfs/dbraw/zinc/60/26/14/994602614.db2.gz ORGZZTUBPMJSPW-INIZCTEOSA-N 1 0 362.445 2.547 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2C)cc1C ZINC001082503491 994776466 /nfs/dbraw/zinc/77/64/66/994776466.db2.gz NGZZLPVIIDNQSW-VQIMIIECSA-N 1 0 353.466 2.957 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc3c(c2)CCO3)cc(OC)c1 ZINC000747622828 994869050 /nfs/dbraw/zinc/86/90/50/994869050.db2.gz ZYTVCLUGKXZUGB-KRWDZBQOSA-N 1 0 357.450 2.580 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)oc3C)CC2)cc1 ZINC000024088813 1015910602 /nfs/dbraw/zinc/91/06/02/1015910602.db2.gz JTJJDVMBAHEINR-UHFFFAOYSA-N 1 0 371.481 2.847 20 10 FFCDRO CCc1c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)cnn1C ZINC001082615991 995079358 /nfs/dbraw/zinc/07/93/58/995079358.db2.gz UUOISGFJYGHXMI-CRAIPNDOSA-N 1 0 370.497 2.550 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)C1 ZINC000811486546 995156111 /nfs/dbraw/zinc/15/61/11/995156111.db2.gz LISMIKXSSYZIMM-NRFANRHFSA-N 1 0 363.505 2.893 20 10 FFCDRO CN(C)c1ccc(CN(C)CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811731294 995229422 /nfs/dbraw/zinc/22/94/22/995229422.db2.gz ZUGKLECKFQCVMM-RBUKOAKNSA-N 1 0 357.498 2.702 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)cc1 ZINC000811930744 995291050 /nfs/dbraw/zinc/29/10/50/995291050.db2.gz CQNCJWXWRHLFHZ-KRWDZBQOSA-N 1 0 362.518 2.646 20 10 FFCDRO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000812780876 995533122 /nfs/dbraw/zinc/53/31/22/995533122.db2.gz VZOJDGNQKPPINB-NRFANRHFSA-N 1 0 355.434 2.938 20 10 FFCDRO CC[N@H+](C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)C ZINC000812892180 995572268 /nfs/dbraw/zinc/57/22/68/995572268.db2.gz DJYZMMFJCHRCAK-LJQANCHMSA-N 1 0 363.546 2.546 20 10 FFCDRO COc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n1 ZINC001082835952 995597587 /nfs/dbraw/zinc/59/75/87/995597587.db2.gz JFHOLUPHDSAZJR-CRAIPNDOSA-N 1 0 369.465 2.658 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000727226717 995723884 /nfs/dbraw/zinc/72/38/84/995723884.db2.gz NUPGGTJTUJMYKA-DLBZAZTESA-N 1 0 362.518 2.614 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2F)CC1 ZINC000727467925 995832438 /nfs/dbraw/zinc/83/24/38/995832438.db2.gz BIKHXBIWFUBIKE-UHFFFAOYSA-N 1 0 354.429 2.953 20 10 FFCDRO CCOC1(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CCC1 ZINC000826719836 1016027655 /nfs/dbraw/zinc/02/76/55/1016027655.db2.gz WDAOYEOIYAORQW-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO [NH3+]CCCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827258890 1016060045 /nfs/dbraw/zinc/06/00/45/1016060045.db2.gz FQUVWDYNYAVQGX-UHFFFAOYSA-N 1 0 373.419 2.677 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000730227884 996991476 /nfs/dbraw/zinc/99/14/76/996991476.db2.gz KAPLCPNVMKTYBQ-KRWDZBQOSA-N 1 0 368.525 2.768 20 10 FFCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000730278176 997055719 /nfs/dbraw/zinc/05/57/19/997055719.db2.gz MQSWRTJGOCTTDM-UHFFFAOYSA-N 1 0 373.419 2.500 20 10 FFCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824710343 997066466 /nfs/dbraw/zinc/06/64/66/997066466.db2.gz XXBQAGQZWGXBEW-APWZRJJASA-N 1 0 363.458 2.726 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)c1 ZINC000824715809 997068843 /nfs/dbraw/zinc/06/88/43/997068843.db2.gz OCWNVANPIOTQSM-LJQANCHMSA-N 1 0 371.481 2.921 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000825289905 997296576 /nfs/dbraw/zinc/29/65/76/997296576.db2.gz JTFSALRTNOPXDK-GXTWGEPZSA-N 1 0 362.426 2.562 20 10 FFCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173926 997693660 /nfs/dbraw/zinc/69/36/60/997693660.db2.gz DSKDCOSRVMYGMB-IBGZPJMESA-N 1 0 361.530 2.536 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]([NH3+])c3ccc(C)cc3)CC2)cc1 ZINC000844175274 997694936 /nfs/dbraw/zinc/69/49/36/997694936.db2.gz IXDWKGDPEWVVNK-HXUWFJFHSA-N 1 0 353.466 2.742 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccnn1C1CCCC1 ZINC000844219992 997709128 /nfs/dbraw/zinc/70/91/28/997709128.db2.gz QAFQZGZEQZWRKW-UHFFFAOYSA-N 1 0 353.470 2.848 20 10 FFCDRO O=C(NCc1ccccc1O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881138341 1016175566 /nfs/dbraw/zinc/17/55/66/1016175566.db2.gz SRYDGZWQYIDNAA-IBGZPJMESA-N 1 0 366.465 2.998 20 10 FFCDRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000731842820 998292762 /nfs/dbraw/zinc/29/27/62/998292762.db2.gz HOWYJUWGCIOUSY-CABCVRRESA-N 1 0 370.449 2.861 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC[C@H](F)C1 ZINC000845085967 998325520 /nfs/dbraw/zinc/32/55/20/998325520.db2.gz PEPTWKNWVJKWSS-IBGZPJMESA-N 1 0 374.504 2.862 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ccnc(C4CC4)n3)CC2)cc1 ZINC000731997341 998406310 /nfs/dbraw/zinc/40/63/10/998406310.db2.gz JJJBNMSPBIXCAA-UHFFFAOYSA-N 1 0 353.470 2.597 20 10 FFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500603 998608772 /nfs/dbraw/zinc/60/87/72/998608772.db2.gz WMNKLPURYCKLMF-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3nsc4ccccc43)CC2)c(O)c1 ZINC001144504094 998611805 /nfs/dbraw/zinc/61/18/05/998611805.db2.gz LOWLNQXHAFJGJW-UHFFFAOYSA-N 1 0 357.435 2.735 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504349 998611885 /nfs/dbraw/zinc/61/18/85/998611885.db2.gz QHWGPDAUBRVOBM-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(O)c1 ZINC001144519879 998618170 /nfs/dbraw/zinc/61/81/70/998618170.db2.gz BYVITICSCKWVJF-UHFFFAOYSA-N 1 0 368.231 2.600 20 10 FFCDRO O=C1Nc2ccccc2CN1C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509081 998622302 /nfs/dbraw/zinc/62/23/02/998622302.db2.gz KKJQCHPILCRZNG-UHFFFAOYSA-N 1 0 369.421 2.816 20 10 FFCDRO CN(CC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1)C(=O)OC(C)(C)C ZINC001144509004 998622633 /nfs/dbraw/zinc/62/26/33/998622633.db2.gz HCLMNCXBYKKQAB-UHFFFAOYSA-N 1 0 366.458 2.882 20 10 FFCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000732468011 998674732 /nfs/dbraw/zinc/67/47/32/998674732.db2.gz YHGBDAOKCZCHSI-HXUWFJFHSA-N 1 0 374.529 2.537 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(CN2CC[NH+](CCO)CC2)cc1 ZINC000732577735 998710046 /nfs/dbraw/zinc/71/00/46/998710046.db2.gz GTYLVZQOEYJYNZ-UHFFFAOYSA-N 1 0 353.510 2.823 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000733331055 998964019 /nfs/dbraw/zinc/96/40/19/998964019.db2.gz YNRSOOVNCNPHLL-UHFFFAOYSA-N 1 0 374.506 2.610 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)Cc1ccc(C)cc1)cc2=O ZINC000746134072 999951175 /nfs/dbraw/zinc/95/11/75/999951175.db2.gz PGTBPTPWUPNTCA-UHFFFAOYSA-N 1 0 368.437 2.942 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CCO)C2CC2)C1 ZINC000768056603 1000174236 /nfs/dbraw/zinc/17/42/36/1000174236.db2.gz SMHCNZSFAXWROS-IBGZPJMESA-N 1 0 369.509 2.685 20 10 FFCDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846047044 1000197340 /nfs/dbraw/zinc/19/73/40/1000197340.db2.gz ICUYIJHGRUHZFQ-LEWJYISDSA-N 1 0 352.478 2.831 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc(N3CCCC3)nc2)cc1 ZINC000846053858 1000198314 /nfs/dbraw/zinc/19/83/14/1000198314.db2.gz YCSDYAOYUIIFCE-UHFFFAOYSA-N 1 0 355.486 2.654 20 10 FFCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000846092493 1000200976 /nfs/dbraw/zinc/20/09/76/1000200976.db2.gz DMQMJFJSHWECQY-MRXNPFEDSA-N 1 0 360.458 2.543 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cc(=O)n3ccccc3n2)ccc1OC ZINC000846109444 1000203006 /nfs/dbraw/zinc/20/30/06/1000203006.db2.gz JFMQRERLRIUVTP-UHFFFAOYSA-N 1 0 353.422 2.529 20 10 FFCDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846112711 1000203202 /nfs/dbraw/zinc/20/32/02/1000203202.db2.gz WVSDGBCRJXZDRL-GOSISDBHSA-N 1 0 371.456 2.528 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000846168208 1000215440 /nfs/dbraw/zinc/21/54/40/1000215440.db2.gz IKNMTGVKBIXYJV-UONOGXRCSA-N 1 0 366.458 2.687 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC000846138821 1000217419 /nfs/dbraw/zinc/21/74/19/1000217419.db2.gz UKKYNZVEGMQIAC-UHFFFAOYSA-N 1 0 356.445 2.884 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](COCc3ccccc3)C1)[C@H](O)CO2 ZINC000768465599 1000262982 /nfs/dbraw/zinc/26/29/82/1000262982.db2.gz IUUPPICMSVMBBJ-OXQOHEQNSA-N 1 0 355.434 2.857 20 10 FFCDRO CN(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768464784 1000263033 /nfs/dbraw/zinc/26/30/33/1000263033.db2.gz VLAYFXINQRUTTI-FQEVSTJZSA-N 1 0 354.450 2.919 20 10 FFCDRO COc1cc(C)nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768527203 1000283043 /nfs/dbraw/zinc/28/30/43/1000283043.db2.gz HBYGGTXGDZJHID-UHFFFAOYSA-N 1 0 367.497 2.938 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000846664343 1000403989 /nfs/dbraw/zinc/40/39/89/1000403989.db2.gz YDGIRIGWTJWWFS-BZUAXINKSA-N 1 0 373.419 2.616 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCCC1 ZINC000846683780 1000408332 /nfs/dbraw/zinc/40/83/32/1000408332.db2.gz VKINPYUTUXDTGW-QFIPXVFZSA-N 1 0 367.493 2.883 20 10 FFCDRO CCOc1ccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(O)c1 ZINC000769191528 1000447965 /nfs/dbraw/zinc/44/79/65/1000447965.db2.gz DCOWLOZNARJSPS-HDICACEKSA-N 1 0 361.530 2.781 20 10 FFCDRO Cn1cc(CN2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000769311210 1000490087 /nfs/dbraw/zinc/49/00/87/1000490087.db2.gz ZQWDBBAJLHVODW-UHFFFAOYSA-N 1 0 353.514 2.728 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCC2(C)COC2)C1 ZINC000769664112 1000571742 /nfs/dbraw/zinc/57/17/42/1000571742.db2.gz WVHLUFREOBACAX-UHFFFAOYSA-N 1 0 356.466 2.988 20 10 FFCDRO Cc1cccc(N(C(=O)c2cccc(O)c2O)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001148213820 1001069340 /nfs/dbraw/zinc/06/93/40/1001069340.db2.gz KGVOVJWVFUBDJR-HRAATJIYSA-N 1 0 368.433 2.574 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)cc1C ZINC001086869078 1001302885 /nfs/dbraw/zinc/30/28/85/1001302885.db2.gz OMMBLLKPWJMYRT-FUHWJXTLSA-N 1 0 369.465 2.793 20 10 FFCDRO COC(=O)[C@](C)(C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000787424295 1001689294 /nfs/dbraw/zinc/68/92/94/1001689294.db2.gz QLXOPDVTAKAYCD-HXUWFJFHSA-N 1 0 359.422 2.630 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001232978227 1036209589 /nfs/dbraw/zinc/20/95/89/1036209589.db2.gz CUATWUOZHWHHJJ-SMDDNHRTSA-N 1 0 359.207 2.608 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cc[nH]c(=O)c3)CC2)cc1 ZINC000788507568 1001815714 /nfs/dbraw/zinc/81/57/14/1001815714.db2.gz RMYADOXYPQTKQY-KRWDZBQOSA-N 1 0 370.497 2.659 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)CC1 ZINC000788520849 1001816728 /nfs/dbraw/zinc/81/67/28/1001816728.db2.gz YLOVDOSKQUKYFV-UHFFFAOYSA-N 1 0 369.490 2.693 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1ccc(N(C)C)cc1 ZINC000774483875 1001926121 /nfs/dbraw/zinc/92/61/21/1001926121.db2.gz QCYQYUATLLGAAI-CABCVRRESA-N 1 0 366.465 2.777 20 10 FFCDRO COCC[N@H+]1[C@H](C)CN(Cc2c(O)cccc2Br)C[C@@H]1C ZINC001182574394 1001962610 /nfs/dbraw/zinc/96/26/10/1001962610.db2.gz NOUVAYQCRYTROY-BETUJISGSA-N 1 0 357.292 2.696 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000774520048 1001966239 /nfs/dbraw/zinc/96/62/39/1001966239.db2.gz YSULHGYREDQWFR-MGPQQGTHSA-N 1 0 374.441 2.767 20 10 FFCDRO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3ccccc3O)c2)C1=O ZINC000790612381 1002447612 /nfs/dbraw/zinc/44/76/12/1002447612.db2.gz XIVBQPAUZYYWPM-OAQYLSRUSA-N 1 0 365.433 2.907 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]CC3(OC)CCCC3)CC2)cc1 ZINC000790948181 1002521987 /nfs/dbraw/zinc/52/19/87/1002521987.db2.gz ZCUYKBNAHFRRQQ-UHFFFAOYSA-N 1 0 361.530 2.756 20 10 FFCDRO C[C@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]1C[N@H+](CCCF)C2 ZINC001092311180 1002652589 /nfs/dbraw/zinc/65/25/89/1002652589.db2.gz JRZAABPIHFAKRK-KDOFPFPSSA-N 1 0 361.421 2.603 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(O)c1 ZINC000792790071 1003179335 /nfs/dbraw/zinc/17/93/35/1003179335.db2.gz PPSVEUDZWVNISL-QGZVFWFLSA-N 1 0 361.417 2.642 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000792838084 1003206527 /nfs/dbraw/zinc/20/65/27/1003206527.db2.gz HEIAXWRROHLDDV-GOSISDBHSA-N 1 0 369.465 2.865 20 10 FFCDRO COCC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000775031440 1003345100 /nfs/dbraw/zinc/34/51/00/1003345100.db2.gz BBUQYYHEGZDVLH-LJQANCHMSA-N 1 0 363.458 2.870 20 10 FFCDRO COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(OC)cc2O)cc1C ZINC000793390264 1003361917 /nfs/dbraw/zinc/36/19/17/1003361917.db2.gz NOMQPDQRILPRCL-UHFFFAOYSA-N 1 0 359.422 2.859 20 10 FFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793609438 1003444262 /nfs/dbraw/zinc/44/42/62/1003444262.db2.gz KIRAUIMGMGGWHM-CJNGLKHVSA-N 1 0 357.406 2.631 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000102441266 1003777765 /nfs/dbraw/zinc/77/77/65/1003777765.db2.gz OUVYZLDMWKPFOB-UHFFFAOYSA-N 1 0 372.513 2.590 20 10 FFCDRO CC[N@H+](CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000102570711 1003905508 /nfs/dbraw/zinc/90/55/08/1003905508.db2.gz DIUCEVBCSJKQQY-UHFFFAOYSA-N 1 0 362.518 2.647 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1cccc(C)c1 ZINC000747235861 1003987270 /nfs/dbraw/zinc/98/72/70/1003987270.db2.gz IEWBOAAURVQTHH-WOJBJXKFSA-N 1 0 367.493 2.996 20 10 FFCDRO Cc1cc(C)c(CNC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(O)c1 ZINC001197618424 1004280788 /nfs/dbraw/zinc/28/07/88/1004280788.db2.gz BLLYHFIPQPXSFU-GOSISDBHSA-N 1 0 354.450 2.506 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4C[C@@H]43)cc2F)CC1 ZINC000806750466 1004403135 /nfs/dbraw/zinc/40/31/35/1004403135.db2.gz SIDOJBMHXKJHKI-APWZRJJASA-N 1 0 360.477 2.662 20 10 FFCDRO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775826819 1004531325 /nfs/dbraw/zinc/53/13/25/1004531325.db2.gz IHLGOGCRRVRZED-INIZCTEOSA-N 1 0 355.482 2.866 20 10 FFCDRO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775828070 1004534529 /nfs/dbraw/zinc/53/45/29/1004534529.db2.gz PVVNIZHCRKKDJR-CQSZACIVSA-N 1 0 355.438 2.829 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833532 1004546441 /nfs/dbraw/zinc/54/64/41/1004546441.db2.gz CWLCTOMTYZIDKT-OAHLLOKOSA-N 1 0 371.481 2.737 20 10 FFCDRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(OC)ccc1O ZINC000775831527 1004553290 /nfs/dbraw/zinc/55/32/90/1004553290.db2.gz MBKVHWJXWFFTDE-LJQANCHMSA-N 1 0 356.466 2.970 20 10 FFCDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000807440342 1004602202 /nfs/dbraw/zinc/60/22/02/1004602202.db2.gz ILQOSSRHNHJZDS-ZFWWWQNUSA-N 1 0 361.442 2.922 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC001199792657 1005029941 /nfs/dbraw/zinc/02/99/41/1005029941.db2.gz QBCVPPZTDVHPTI-GHTZIAJQSA-N 1 0 361.530 2.610 20 10 FFCDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000776023612 1005032487 /nfs/dbraw/zinc/03/24/87/1005032487.db2.gz LJUHJAFBZTZQJR-UHFFFAOYSA-N 1 0 364.461 2.874 20 10 FFCDRO C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850483871 1005818150 /nfs/dbraw/zinc/81/81/50/1005818150.db2.gz XABQQFXCFYLWOT-CQSZACIVSA-N 1 0 363.458 2.842 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1O ZINC000850576850 1005823426 /nfs/dbraw/zinc/82/34/26/1005823426.db2.gz PWQQUUDNBYLEMA-PKOBYXMFSA-N 1 0 369.509 2.868 20 10 FFCDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000852355233 1005990469 /nfs/dbraw/zinc/99/04/69/1005990469.db2.gz QHELYKRTFYQGEP-MJGOQNOKSA-N 1 0 363.546 2.592 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)C2)cc1 ZINC000852450511 1006032244 /nfs/dbraw/zinc/03/22/44/1006032244.db2.gz OBALIYXSIOBWIS-ROUUACIJSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000852455239 1006035375 /nfs/dbraw/zinc/03/53/75/1006035375.db2.gz SZEBDYJSJSYVJA-PKOBYXMFSA-N 1 0 372.513 2.544 20 10 FFCDRO Cc1cc(Cn2cc(COc3ccc(C[NH3+])cc3)nn2)ccc1N(C)C ZINC000881377347 1006071651 /nfs/dbraw/zinc/07/16/51/1006071651.db2.gz KBLNYOQFKMXIGE-UHFFFAOYSA-N 1 0 351.454 2.739 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000852597403 1006097282 /nfs/dbraw/zinc/09/72/82/1006097282.db2.gz RHISJWCTSRVCKI-AZUAARDMSA-N 1 0 359.514 2.650 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(O)c(Cl)c3)cc2)CC1 ZINC000881855496 1006244198 /nfs/dbraw/zinc/24/41/98/1006244198.db2.gz XWGIQIFUAYLHDS-UHFFFAOYSA-N 1 0 373.884 2.656 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000853121826 1006305778 /nfs/dbraw/zinc/30/57/78/1006305778.db2.gz JBJRPRRYFHFGNS-HXUWFJFHSA-N 1 0 362.420 2.749 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853560384 1006443967 /nfs/dbraw/zinc/44/39/67/1006443967.db2.gz OUIGXRJKNJFNGB-NQIIRXRSSA-N 1 0 368.477 2.567 20 10 FFCDRO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001134681943 1006443974 /nfs/dbraw/zinc/44/39/74/1006443974.db2.gz OCCBLUTZBUJOPK-LJQANCHMSA-N 1 0 370.497 2.968 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000814909605 1006463162 /nfs/dbraw/zinc/46/31/62/1006463162.db2.gz LLLHGTFDAXSGRM-WPGJWXSHSA-N 1 0 359.426 2.703 20 10 FFCDRO COC(=O)NC1CC[NH+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000853625261 1006482141 /nfs/dbraw/zinc/48/21/41/1006482141.db2.gz BBMBSVCYFFDLGP-UHFFFAOYSA-N 1 0 372.421 2.652 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1OC ZINC000882820903 1006518694 /nfs/dbraw/zinc/51/86/94/1006518694.db2.gz DTVVACYLHWUHAF-ZDUSSCGKSA-N 1 0 358.398 2.722 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@H]1n1cccn1 ZINC000815167036 1006525401 /nfs/dbraw/zinc/52/54/01/1006525401.db2.gz OCNBYOKQWWAHBC-HBMCJLEFSA-N 1 0 370.497 2.869 20 10 FFCDRO CC(C)[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)COc1ccccc1 ZINC000775199732 1006734549 /nfs/dbraw/zinc/73/45/49/1006734549.db2.gz JXMNCZKDBWQCAM-MRXNPFEDSA-N 1 0 359.422 2.771 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H]3c4ccccc4OC[C@@H]3F)cc2)CC1 ZINC000883290755 1006736019 /nfs/dbraw/zinc/73/60/19/1006736019.db2.gz FXFOTZMWNQHTAP-PZJWPPBQSA-N 1 0 355.457 3.000 20 10 FFCDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298223 1006764557 /nfs/dbraw/zinc/76/45/57/1006764557.db2.gz YLEGHLQTRAQEPP-SFHVURJKSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)cc1 ZINC000854300908 1006765722 /nfs/dbraw/zinc/76/57/22/1006765722.db2.gz DAQRLQQLMNQRHH-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000748051904 1006946994 /nfs/dbraw/zinc/94/69/94/1006946994.db2.gz WUQYZAPXFSVCIW-QZTJIDSGSA-N 1 0 373.541 2.631 20 10 FFCDRO CC1(C)NC(=O)N(CCC[N@H+](Cc2ccccc2O)C2CCCC2)C1=O ZINC000112601107 1006977911 /nfs/dbraw/zinc/97/79/11/1006977911.db2.gz QPJUAIBGHHAOHS-UHFFFAOYSA-N 1 0 359.470 2.857 20 10 FFCDRO CN(C)C(=O)CCN1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816546534 1007106476 /nfs/dbraw/zinc/10/64/76/1007106476.db2.gz NBADLJZOTMJFGC-UHFFFAOYSA-N 1 0 355.482 2.578 20 10 FFCDRO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775256984 1007112664 /nfs/dbraw/zinc/11/26/64/1007112664.db2.gz BZCWZQFOMWHINZ-SFHVURJKSA-N 1 0 367.493 2.799 20 10 FFCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000816562311 1007120325 /nfs/dbraw/zinc/12/03/25/1007120325.db2.gz GYKSTVHRJCMQQF-APWZRJJASA-N 1 0 367.493 2.815 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000816624835 1007124470 /nfs/dbraw/zinc/12/44/70/1007124470.db2.gz IZTDMRWHVMZBLU-IBGZPJMESA-N 1 0 358.457 2.698 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000855227128 1007191543 /nfs/dbraw/zinc/19/15/43/1007191543.db2.gz TXEHDFQULIJQIR-MGPUTAFESA-N 1 0 363.477 2.603 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)cc1 ZINC000855232202 1007199029 /nfs/dbraw/zinc/19/90/29/1007199029.db2.gz QWTKMVWVAPNHSZ-SFHVURJKSA-N 1 0 353.466 2.766 20 10 FFCDRO C[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccc(N2CCOCC2)cc1 ZINC000121320027 1007406540 /nfs/dbraw/zinc/40/65/40/1007406540.db2.gz OZXWYKCECIYUDX-UHFFFAOYSA-N 1 0 363.465 2.940 20 10 FFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000775372752 1007578628 /nfs/dbraw/zinc/57/86/28/1007578628.db2.gz IIYMTJDTHFEVNJ-GJZGRUSLSA-N 1 0 361.438 2.890 20 10 FFCDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000817411088 1007592396 /nfs/dbraw/zinc/59/23/96/1007592396.db2.gz MRROQYXXGJLZRY-QGZVFWFLSA-N 1 0 374.485 2.933 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817944229 1007820112 /nfs/dbraw/zinc/82/01/12/1007820112.db2.gz YDWYUZSXYJIZIN-KZNAEPCWSA-N 1 0 372.473 2.631 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000817942726 1007821359 /nfs/dbraw/zinc/82/13/59/1007821359.db2.gz QPJDOZMCAJWHLR-OALUTQOASA-N 1 0 353.445 2.994 20 10 FFCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C[C@H]2C1 ZINC000818329656 1007903330 /nfs/dbraw/zinc/90/33/30/1007903330.db2.gz BFHIHZUHFLKBQE-YRIDSSQKSA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)CC2)cc1 ZINC000818329856 1007903339 /nfs/dbraw/zinc/90/33/39/1007903339.db2.gz GIRMIPWQZGPDQP-CMQMCVIQSA-N 1 0 373.541 2.610 20 10 FFCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818966739 1007981847 /nfs/dbraw/zinc/98/18/47/1007981847.db2.gz NYVXPYOSOWSVHA-IIBYNOLFSA-N 1 0 358.457 2.917 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000818943612 1007986801 /nfs/dbraw/zinc/98/68/01/1007986801.db2.gz WRAYOVVOMMIXCL-JOCHJYFZSA-N 1 0 369.509 2.531 20 10 FFCDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818972778 1008012599 /nfs/dbraw/zinc/01/25/99/1008012599.db2.gz JMMDELATOAFHBW-NRFANRHFSA-N 1 0 370.493 2.670 20 10 FFCDRO CCCC[N@@H+]1CCCC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168767 1008055528 /nfs/dbraw/zinc/05/55/28/1008055528.db2.gz VZBKCBPIKWREJX-QGZVFWFLSA-N 1 0 359.470 2.811 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819170763 1008057377 /nfs/dbraw/zinc/05/73/77/1008057377.db2.gz OGSFGNYQELHSGS-MRXNPFEDSA-N 1 0 359.470 2.524 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3cccc(C)c3C)CC2)cc1 ZINC000819394095 1008113775 /nfs/dbraw/zinc/11/37/75/1008113775.db2.gz QHTONHAAVCILKK-FQEVSTJZSA-N 1 0 369.509 2.907 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000857318601 1008121241 /nfs/dbraw/zinc/12/12/41/1008121241.db2.gz SYNCXJUNLWRHEK-OAHLLOKOSA-N 1 0 358.413 2.626 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000819581574 1008181659 /nfs/dbraw/zinc/18/16/59/1008181659.db2.gz ABILEPCXNOJPAN-XLAORIBOSA-N 1 0 359.514 2.899 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000819696034 1008208050 /nfs/dbraw/zinc/20/80/50/1008208050.db2.gz IRVRJMJSRZEJPM-OWCLPIDISA-N 1 0 362.470 2.545 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000819837684 1008237506 /nfs/dbraw/zinc/23/75/06/1008237506.db2.gz PRGYODYTTFTVEE-SFHVURJKSA-N 1 0 355.482 2.589 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000819896692 1008244427 /nfs/dbraw/zinc/24/44/27/1008244427.db2.gz JVESFPZCTQNILN-OAHLLOKOSA-N 1 0 366.421 2.761 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3Cc4ccccc4NC3=O)CC2)cc1 ZINC000858283069 1008339649 /nfs/dbraw/zinc/33/96/49/1008339649.db2.gz XHVQEXGHVOTPNE-FQEVSTJZSA-N 1 0 351.450 2.817 20 10 FFCDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000858677222 1008401739 /nfs/dbraw/zinc/40/17/39/1008401739.db2.gz CWJKUOFABSODQY-KRWDZBQOSA-N 1 0 353.466 2.978 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCC[N@H+](C)C3)CC2)cc1 ZINC000858767320 1008419613 /nfs/dbraw/zinc/41/96/13/1008419613.db2.gz HKIIIHILNDHLQM-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000859379677 1008508341 /nfs/dbraw/zinc/50/83/41/1008508341.db2.gz OWZHGPOFWYKNHK-IBGZPJMESA-N 1 0 367.493 2.859 20 10 FFCDRO CC(C)(C)n1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC000886325497 1008639746 /nfs/dbraw/zinc/63/97/46/1008639746.db2.gz HWBPPYFTCMWPEE-UHFFFAOYSA-N 1 0 369.513 2.630 20 10 FFCDRO CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1Cc1ccccc1 ZINC000822804391 1008770267 /nfs/dbraw/zinc/77/02/67/1008770267.db2.gz XRUWTBDRICQRGN-GOSISDBHSA-N 1 0 365.437 2.848 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)c1 ZINC000138502427 1008782924 /nfs/dbraw/zinc/78/29/24/1008782924.db2.gz SPDLRGGZJHTSGH-CQSZACIVSA-N 1 0 358.438 2.837 20 10 FFCDRO CC[N@H+](CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000822965827 1008842336 /nfs/dbraw/zinc/84/23/36/1008842336.db2.gz ARLJPAVZOHTMBK-KRWDZBQOSA-N 1 0 362.518 2.551 20 10 FFCDRO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000773774262 1009152732 /nfs/dbraw/zinc/15/27/32/1009152732.db2.gz SRBFQMVIBYTTIC-QGZVFWFLSA-N 1 0 356.422 2.755 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726949 1009208080 /nfs/dbraw/zinc/20/80/80/1009208080.db2.gz ZIPGQIVSKRMJCI-IEBWSBKVSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)c(Br)c1 ZINC001206371325 1009273988 /nfs/dbraw/zinc/27/39/88/1009273988.db2.gz SNUUYURPESXPPC-HNNXBMFYSA-N 1 0 361.255 2.816 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](CC)c1ccncc1)cc2=O ZINC000130284054 1009326044 /nfs/dbraw/zinc/32/60/44/1009326044.db2.gz MPDOIWMBQGXSCW-INIZCTEOSA-N 1 0 369.425 2.590 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000861573398 1009469223 /nfs/dbraw/zinc/46/92/23/1009469223.db2.gz GVYDKKOOIZIGFR-BGYRXZFFSA-N 1 0 362.493 2.813 20 10 FFCDRO C[C@@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC000861621069 1009488199 /nfs/dbraw/zinc/48/81/99/1009488199.db2.gz WIJGTLOGDHFNKB-UZLBHIALSA-N 1 0 374.529 2.614 20 10 FFCDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000773844742 1009614428 /nfs/dbraw/zinc/61/44/28/1009614428.db2.gz GHLLDDLUCUODNU-OAHLLOKOSA-N 1 0 368.481 2.630 20 10 FFCDRO Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccc2n1 ZINC000773855621 1009656988 /nfs/dbraw/zinc/65/69/88/1009656988.db2.gz GBVSPZSPKLLAEN-AWEZNQCLSA-N 1 0 365.437 2.525 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)Cc2ccccc21 ZINC000862538132 1009872486 /nfs/dbraw/zinc/87/24/86/1009872486.db2.gz NFARYOVGWFVMOS-INIZCTEOSA-N 1 0 357.406 2.682 20 10 FFCDRO COC1(CO)CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000773934479 1010174855 /nfs/dbraw/zinc/17/48/55/1010174855.db2.gz JXBGZDRYJBQHEZ-UHFFFAOYSA-N 1 0 374.456 2.889 20 10 FFCDRO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(N)cc1 ZINC000863558673 1010255349 /nfs/dbraw/zinc/25/53/49/1010255349.db2.gz SHBHUWSYWPLHCE-UHFFFAOYSA-N 1 0 370.522 2.893 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ncoc3C)C[C@H]2C)cc1C ZINC001093663322 1010430273 /nfs/dbraw/zinc/43/02/73/1010430273.db2.gz VDYQFHFNPYGJEX-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339293 1010547481 /nfs/dbraw/zinc/54/74/81/1010547481.db2.gz FGBKDTVRMHITPK-JQWIXIFHSA-N 1 0 372.259 2.794 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339287 1010547571 /nfs/dbraw/zinc/54/75/71/1010547571.db2.gz FGBKDTVRMHITPK-CMPLNLGQSA-N 1 0 372.259 2.794 20 10 FFCDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000794753111 1010575163 /nfs/dbraw/zinc/57/51/63/1010575163.db2.gz BRDCEUFIOXFINA-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccnn2CC2CCC2)ccc1N1CCOCC1 ZINC000865419277 1010781051 /nfs/dbraw/zinc/78/10/51/1010781051.db2.gz VMBUPXRCNHXYMP-UHFFFAOYSA-N 1 0 358.461 2.949 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1O ZINC000868066667 1011158068 /nfs/dbraw/zinc/15/80/68/1011158068.db2.gz NBOKTEYSFDJSNY-HNNXBMFYSA-N 1 0 354.454 2.812 20 10 FFCDRO COCCC1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000644770037 1011214810 /nfs/dbraw/zinc/21/48/10/1011214810.db2.gz XZZUDDSQRIMVAN-UHFFFAOYSA-N 1 0 369.509 2.903 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000122710646 1011873934 /nfs/dbraw/zinc/87/39/34/1011873934.db2.gz LMEUWHVVVSVJHW-BQFCYCMXSA-N 1 0 372.513 2.509 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c(O)c1 ZINC001275241550 1012128880 /nfs/dbraw/zinc/12/88/80/1012128880.db2.gz DRPLXIOVSCDSCS-HUUCEWRRSA-N 1 0 372.387 2.919 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1O ZINC001275241542 1012129658 /nfs/dbraw/zinc/12/96/58/1012129658.db2.gz JDOODTLGOZEMEV-ZIAGYGMSSA-N 1 0 372.387 2.919 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 ZINC001275254235 1012155088 /nfs/dbraw/zinc/15/50/88/1012155088.db2.gz MUWGFEIVJKHESJ-ZIAGYGMSSA-N 1 0 358.360 2.528 20 10 FFCDRO C[C@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1C(=O)OC(C)(C)C ZINC001173055387 1012213540 /nfs/dbraw/zinc/21/35/40/1012213540.db2.gz ITSHYYXAEZTVKZ-GXTWGEPZSA-N 1 0 366.458 2.724 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)cc1 ZINC001275372607 1012376070 /nfs/dbraw/zinc/37/60/70/1012376070.db2.gz IIABLWNPLPTMCS-NRFANRHFSA-N 1 0 353.466 2.527 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275385730 1012404331 /nfs/dbraw/zinc/40/43/31/1012404331.db2.gz LHOSJFOTDQAIAG-HRAATJIYSA-N 1 0 358.482 2.883 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000828258242 1032640669 /nfs/dbraw/zinc/64/06/69/1032640669.db2.gz AOEOUDRNQOLZJR-YOIVXCQUSA-N 1 0 359.426 2.702 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000780188649 1017239192 /nfs/dbraw/zinc/23/91/92/1017239192.db2.gz PHHMTBODWAJAJQ-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827119283 1017334293 /nfs/dbraw/zinc/33/42/93/1017334293.db2.gz JKGPCEDGWNSZMR-HXUWFJFHSA-N 1 0 368.477 2.878 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C3CC3)C3CCOCC3)CC2)cc1 ZINC000924831417 1017509672 /nfs/dbraw/zinc/50/96/72/1017509672.db2.gz KOYWOUIWLKYOIM-JOCHJYFZSA-N 1 0 373.541 2.612 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cc(OC)no3)cc2F)CC1 ZINC000924995754 1017574647 /nfs/dbraw/zinc/57/46/47/1017574647.db2.gz IYOYSYCTYSUYRB-CQSZACIVSA-N 1 0 362.449 2.815 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3CCCO)cc2)CC1 ZINC000926872206 1018276026 /nfs/dbraw/zinc/27/60/26/1018276026.db2.gz AXFVRYPFEXKLPP-WIYYLYMNSA-N 1 0 373.541 2.809 20 10 FFCDRO CN1CCC[C@H]1c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC001137443294 1018485932 /nfs/dbraw/zinc/48/59/32/1018485932.db2.gz KIFZUQIOOSJJDB-SFHVURJKSA-N 1 0 354.454 2.691 20 10 FFCDRO C[C@](NCc1ccc(N2CCOCC2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000930019916 1019815058 /nfs/dbraw/zinc/81/50/58/1019815058.db2.gz XRDJTROXDSAYPS-HXUWFJFHSA-N 1 0 373.884 2.667 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2ccnn2CC[NH+](C)C)cc1 ZINC000900026787 1020147693 /nfs/dbraw/zinc/14/76/93/1020147693.db2.gz PDGRXJWIQWLMIR-UHFFFAOYSA-N 1 0 357.502 2.563 20 10 FFCDRO COc1ccccc1N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000902638753 1020358049 /nfs/dbraw/zinc/35/80/49/1020358049.db2.gz PUIHELFKXLYJBR-LJQANCHMSA-N 1 0 370.449 2.539 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000931263872 1020394490 /nfs/dbraw/zinc/39/44/90/1020394490.db2.gz XBTSUFHPPFYEQE-VAMGGRTRSA-N 1 0 358.482 2.687 20 10 FFCDRO C[NH+](C)CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726700505 1020508988 /nfs/dbraw/zinc/50/89/88/1020508988.db2.gz CZYKSCGFSNGKRH-UHFFFAOYSA-N 1 0 370.444 2.508 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccnc(F)c2F)[NH+](C)C)cc1 ZINC000931980230 1020654292 /nfs/dbraw/zinc/65/42/92/1020654292.db2.gz BXDMDNHPABCGSN-HNNXBMFYSA-N 1 0 363.412 2.850 20 10 FFCDRO C[C@H](Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218003511 1032945393 /nfs/dbraw/zinc/94/53/93/1032945393.db2.gz WNEVUYMFSZRXQN-LBPRGKRZSA-N 1 0 351.402 2.935 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933080633 1020953754 /nfs/dbraw/zinc/95/37/54/1020953754.db2.gz CHYUDXHOLPYQAI-IBGZPJMESA-N 1 0 359.514 2.507 20 10 FFCDRO C[C@@H](Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218007623 1032946701 /nfs/dbraw/zinc/94/67/01/1032946701.db2.gz XBVPIROPGQLTLU-LLVKDONJSA-N 1 0 367.401 2.640 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CCN(c3ccc(O[C@@H]4CC[NH2+]C4)cc3)CC2)cc1 ZINC001218037926 1032964701 /nfs/dbraw/zinc/96/47/01/1032964701.db2.gz BNJWWXMHIXHHAW-HXUWFJFHSA-N 1 0 368.437 2.662 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[NH2+]CC[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218043529 1032969375 /nfs/dbraw/zinc/96/93/75/1032969375.db2.gz KJKXWFSAWHRURI-PIGZYNQJSA-N 1 0 351.402 2.853 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934640498 1021314755 /nfs/dbraw/zinc/31/47/55/1021314755.db2.gz UUFQRPMEOYJOAT-OAQYLSRUSA-N 1 0 360.498 2.541 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934836938 1021422379 /nfs/dbraw/zinc/42/23/79/1021422379.db2.gz GCYCGGHSYIIEGW-OALUTQOASA-N 1 0 359.514 2.507 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(C)cc1)cc2=O ZINC000047279478 1022537743 /nfs/dbraw/zinc/53/77/43/1022537743.db2.gz GTLOFQPBKFMHIX-UHFFFAOYSA-N 1 0 354.410 2.552 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CC2(CC1=O)CCOCC2 ZINC000753090899 1023266263 /nfs/dbraw/zinc/26/62/63/1023266263.db2.gz KWCVLTYYGDONDQ-UHFFFAOYSA-N 1 0 359.514 2.950 20 10 FFCDRO O=C(NC[C@H]1CCCCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001120579703 1023369906 /nfs/dbraw/zinc/36/99/06/1023369906.db2.gz VPPVVQFTULXNKB-MSOLQXFVSA-N 1 0 361.486 2.615 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218407360 1033142454 /nfs/dbraw/zinc/14/24/54/1033142454.db2.gz PNHZTLVLSWIJLS-CHWSQXEVSA-N 1 0 351.402 2.990 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1C(C)C ZINC000755940691 1023653681 /nfs/dbraw/zinc/65/36/81/1023653681.db2.gz YJMYIOXOWSVMIC-GOSISDBHSA-N 1 0 373.541 2.953 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000756149538 1023673586 /nfs/dbraw/zinc/67/35/86/1023673586.db2.gz LIQPMMBUTLDJAZ-OAHLLOKOSA-N 1 0 362.376 2.964 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)ccc1O ZINC000756524452 1023722818 /nfs/dbraw/zinc/72/28/18/1023722818.db2.gz JEQQNPQJLOGCER-WLRWDXFRSA-N 1 0 373.840 2.951 20 10 FFCDRO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756902151 1023766735 /nfs/dbraw/zinc/76/67/35/1023766735.db2.gz QEIVFFDOIBPZNZ-IEBWSBKVSA-N 1 0 374.506 2.867 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3cc(F)ccc3O)C2)nc1 ZINC000757657996 1023843457 /nfs/dbraw/zinc/84/34/57/1023843457.db2.gz VEMXFDLRODNHTB-GFCCVEGCSA-N 1 0 359.401 2.642 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@H]3C[NH2+]C[C@H]31)C(=O)c1ccccc1C2=O ZINC001218460579 1033167406 /nfs/dbraw/zinc/16/74/06/1033167406.db2.gz MXPRHTHOSZGPIO-BJOOFOGMSA-N 1 0 363.413 2.853 20 10 FFCDRO C[NH+]1CCN(c2ccccc2NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779493211 1023936910 /nfs/dbraw/zinc/93/69/10/1023936910.db2.gz KKERYPYIVHRBRB-CLFYSBASSA-N 1 0 353.422 2.502 20 10 FFCDRO O=C(c1ccco1)N1CCC[C@@]2(CN(Cc3c(O)cccc3F)CCO2)C1 ZINC001137835490 1033173876 /nfs/dbraw/zinc/17/38/76/1033173876.db2.gz ILCAQTHWIKMAJD-HXUWFJFHSA-N 1 0 374.412 2.632 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(CCC(=O)N4CC4CC4)CC3)ccc21 ZINC001141141715 1025510035 /nfs/dbraw/zinc/51/00/35/1025510035.db2.gz VSILLHSHZCMGGK-UHFFFAOYSA-N 1 0 369.509 2.882 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)Cc2ccccc21 ZINC001141145637 1025521465 /nfs/dbraw/zinc/52/14/65/1025521465.db2.gz XIDIWAAITYSAFJ-GOSISDBHSA-N 1 0 352.434 2.788 20 10 FFCDRO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141145387 1025521915 /nfs/dbraw/zinc/52/19/15/1025521915.db2.gz BGENTLIPNQOIGL-QGZVFWFLSA-N 1 0 354.454 2.657 20 10 FFCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)n1 ZINC001141146552 1025524912 /nfs/dbraw/zinc/52/49/12/1025524912.db2.gz YSAAXOGNGVCDTF-UHFFFAOYSA-N 1 0 354.454 2.657 20 10 FFCDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001141159718 1025543455 /nfs/dbraw/zinc/54/34/55/1025543455.db2.gz IYSHKAZIVKSDHE-UHFFFAOYSA-N 1 0 366.461 2.895 20 10 FFCDRO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141162782 1025545608 /nfs/dbraw/zinc/54/56/08/1025545608.db2.gz DLVJMPAXGBZIDQ-UHFFFAOYSA-N 1 0 361.463 2.881 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)c2C)cc1 ZINC001141196750 1025597415 /nfs/dbraw/zinc/59/74/15/1025597415.db2.gz LJZIEAWAJBCYEP-UZLBHIALSA-N 1 0 353.466 2.879 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@@H]1C1CC1 ZINC000838532645 1026402203 /nfs/dbraw/zinc/40/22/03/1026402203.db2.gz HHIWENAUJCKJCM-OAQYLSRUSA-N 1 0 368.525 2.913 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000838785257 1026504399 /nfs/dbraw/zinc/50/43/99/1026504399.db2.gz HKVOVEVYQWZOGX-UHFFFAOYSA-N 1 0 354.454 2.528 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000840187116 1027002229 /nfs/dbraw/zinc/00/22/29/1027002229.db2.gz FWPUUGFXCBJPBE-OAHLLOKOSA-N 1 0 370.449 2.821 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000248711727 1027782691 /nfs/dbraw/zinc/78/26/91/1027782691.db2.gz BJSNNZDFGNJTPV-MAUKXSAKSA-N 1 0 369.465 2.721 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001161134572 1028030459 /nfs/dbraw/zinc/03/04/59/1028030459.db2.gz CZUFJLLKMDBCIU-UHFFFAOYSA-N 1 0 366.509 2.825 20 10 FFCDRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534083 1028219062 /nfs/dbraw/zinc/21/90/62/1028219062.db2.gz DORFWPJFWWBTBO-AWEZNQCLSA-N 1 0 371.403 2.624 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)cc1C ZINC001103967127 1028429781 /nfs/dbraw/zinc/42/97/81/1028429781.db2.gz UYRFIBMELSHALN-BHIYHBOVSA-N 1 0 360.498 2.614 20 10 FFCDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001162887709 1028697114 /nfs/dbraw/zinc/69/71/14/1028697114.db2.gz UQCCXCOIFQQGEJ-IBGZPJMESA-N 1 0 357.410 2.550 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000780706147 1028776573 /nfs/dbraw/zinc/77/65/73/1028776573.db2.gz LPYSLAIDKWOJOK-RBUKOAKNSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000781003762 1028928200 /nfs/dbraw/zinc/92/82/00/1028928200.db2.gz SFLMEGSWLJPQRU-GOSISDBHSA-N 1 0 370.449 2.982 20 10 FFCDRO C[C@@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCOC1 ZINC000781166244 1029036831 /nfs/dbraw/zinc/03/68/31/1029036831.db2.gz RDNLPAHLOUKQAH-JOCHJYFZSA-N 1 0 371.525 2.652 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(SC)ncn3)CC2)cc1 ZINC001156256502 1029114799 /nfs/dbraw/zinc/11/47/99/1029114799.db2.gz BRDRNABETJQZAP-UHFFFAOYSA-N 1 0 373.526 2.831 20 10 FFCDRO C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000781397104 1029190698 /nfs/dbraw/zinc/19/06/98/1029190698.db2.gz XEAJSPNTUSAWOG-QFBILLFUSA-N 1 0 373.497 2.733 20 10 FFCDRO CN(C)c1cc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656900 1029289866 /nfs/dbraw/zinc/28/98/66/1029289866.db2.gz BIICESPZKOXBBO-UHFFFAOYSA-N 1 0 360.893 2.560 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3nccnc3Cl)cc2)CC1 ZINC001156658574 1029293474 /nfs/dbraw/zinc/29/34/74/1029293474.db2.gz VWPQKIVAWMJPMS-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@]3(CC[C@@H](C)C3)C1)cc2=O ZINC000782106782 1029571139 /nfs/dbraw/zinc/57/11/39/1029571139.db2.gz JQXQDARTDRSLNT-BFUOFWGJSA-N 1 0 358.442 2.624 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000840886851 1029908062 /nfs/dbraw/zinc/90/80/62/1029908062.db2.gz ANYMZQLOZZYPQL-UHFFFAOYSA-N 1 0 373.884 2.792 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000840911058 1029921422 /nfs/dbraw/zinc/92/14/22/1029921422.db2.gz VPFBJNDPWBHNBQ-UHFFFAOYSA-N 1 0 355.442 2.686 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)c(Cl)c1 ZINC000840923410 1029927809 /nfs/dbraw/zinc/92/78/09/1029927809.db2.gz UDMXPLJLUYYTDH-CYBMUJFWSA-N 1 0 372.860 2.502 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000840951524 1029942061 /nfs/dbraw/zinc/94/20/61/1029942061.db2.gz YFTJSEOANPDJKX-CVEARBPZSA-N 1 0 369.431 2.904 20 10 FFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044642 1029998112 /nfs/dbraw/zinc/99/81/12/1029998112.db2.gz DXRHJRQGYHTZBD-VYDXJSESSA-N 1 0 369.456 2.709 20 10 FFCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000841045745 1029999733 /nfs/dbraw/zinc/99/97/33/1029999733.db2.gz PEVJPRMUILNSCU-IBGZPJMESA-N 1 0 360.546 2.769 20 10 FFCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000841044479 1030000635 /nfs/dbraw/zinc/00/06/35/1030000635.db2.gz YMKVCQBUQSYHNQ-SFHVURJKSA-N 1 0 370.888 2.776 20 10 FFCDRO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1O ZINC000783510682 1030131824 /nfs/dbraw/zinc/13/18/24/1030131824.db2.gz RKHDERNEKKWLQZ-KRWDZBQOSA-N 1 0 359.514 2.767 20 10 FFCDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(N)cc1 ZINC000841300518 1030169676 /nfs/dbraw/zinc/16/96/76/1030169676.db2.gz QXKCNUNCRHHHLV-MRXNPFEDSA-N 1 0 353.470 2.601 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000783702929 1030240898 /nfs/dbraw/zinc/24/08/98/1030240898.db2.gz CGZFJVRZHBNMSJ-UHFFFAOYSA-N 1 0 356.474 2.538 20 10 FFCDRO CCO[C@H]1C[C@](CO)([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000783724965 1030253527 /nfs/dbraw/zinc/25/35/27/1030253527.db2.gz ZGSOWXQQEIWQAL-PZJWPPBQSA-N 1 0 362.514 2.820 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000841654262 1030384636 /nfs/dbraw/zinc/38/46/36/1030384636.db2.gz MTMZOEZFRVPIFQ-INIZCTEOSA-N 1 0 372.517 2.572 20 10 FFCDRO C[C@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000841739689 1030437934 /nfs/dbraw/zinc/43/79/34/1030437934.db2.gz BBTOEZHEDCYQLR-JXFKEZNVSA-N 1 0 368.481 2.583 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000841742415 1030440705 /nfs/dbraw/zinc/44/07/05/1030440705.db2.gz XNEICHQEGFBMTG-KZNAEPCWSA-N 1 0 374.529 2.649 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000841851365 1030501531 /nfs/dbraw/zinc/50/15/31/1030501531.db2.gz PKHZIRRXWZMTGF-INIZCTEOSA-N 1 0 370.522 2.778 20 10 FFCDRO O=C(NCCCN1CC[NH2+]CC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000841919228 1030542537 /nfs/dbraw/zinc/54/25/37/1030542537.db2.gz IMLQYTBDCFWWRE-UHFFFAOYSA-N 1 0 374.529 2.532 20 10 FFCDRO Nc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000841961736 1030560468 /nfs/dbraw/zinc/56/04/68/1030560468.db2.gz HASIIEKYEHUVJJ-UHFFFAOYSA-N 1 0 352.482 2.729 20 10 FFCDRO CC(C)CCN1C[C@H]2CC[N@H+](Cc3ccccc3O)CC[C@H]2S1(=O)=O ZINC001203552097 1030758899 /nfs/dbraw/zinc/75/88/99/1030758899.db2.gz ZZVHXRAWGXJION-IEBWSBKVSA-N 1 0 366.527 2.664 20 10 FFCDRO Cc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccccc4O)C3)C2)nn1 ZINC001203552308 1030762164 /nfs/dbraw/zinc/76/21/64/1030762164.db2.gz ITOGYYNEQNTEIR-OAQYLSRUSA-N 1 0 368.481 2.610 20 10 FFCDRO COc1cccc(CN2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c1O ZINC001203590056 1030772039 /nfs/dbraw/zinc/77/20/39/1030772039.db2.gz SYOPXBASDZOUMA-MRXNPFEDSA-N 1 0 359.470 2.906 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c1O ZINC001203591587 1030776220 /nfs/dbraw/zinc/77/62/20/1030776220.db2.gz JYVZUGKKPAMHPS-INIZCTEOSA-N 1 0 355.438 2.730 20 10 FFCDRO COc1cccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)c1O ZINC001203600164 1030779807 /nfs/dbraw/zinc/77/98/07/1030779807.db2.gz UQACVLHEZGJZRO-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c1O ZINC001203617123 1030789449 /nfs/dbraw/zinc/78/94/49/1030789449.db2.gz IIDQNWNJFLXYSQ-QGZVFWFLSA-N 1 0 355.438 2.580 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001203623657 1030790761 /nfs/dbraw/zinc/79/07/61/1030790761.db2.gz VUJFNLSGYPWYDE-YOEHRIQHSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203628510 1030796554 /nfs/dbraw/zinc/79/65/54/1030796554.db2.gz AFFZHCKQXZPURO-FXAWDEMLSA-N 1 0 354.450 2.738 20 10 FFCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1O ZINC001203640352 1030800135 /nfs/dbraw/zinc/80/01/35/1030800135.db2.gz XPMPBAXWUBHBRT-MRXNPFEDSA-N 1 0 353.260 2.742 20 10 FFCDRO O=C1CCCC2(CC[NH+](Cc3cc(Br)ccc3O)CC2)N1 ZINC001203641889 1030801472 /nfs/dbraw/zinc/80/14/72/1030801472.db2.gz AHQFRMPWDLNZBD-UHFFFAOYSA-N 1 0 353.260 2.789 20 10 FFCDRO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657837 1030810166 /nfs/dbraw/zinc/81/01/66/1030810166.db2.gz HASXVRSDFZFPDR-IEBWSBKVSA-N 1 0 364.873 2.553 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccnn2-c2ccccn2)ccc1N1CCOCC1 ZINC000842669122 1030889173 /nfs/dbraw/zinc/88/91/73/1030889173.db2.gz BCGIDTHCEZJIDH-UHFFFAOYSA-N 1 0 367.428 2.533 20 10 FFCDRO CC(C)Cn1nccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000842710128 1030916188 /nfs/dbraw/zinc/91/61/88/1030916188.db2.gz DIIXYDWLVJBXFQ-UHFFFAOYSA-N 1 0 364.440 2.944 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccs1 ZINC000842750159 1030940443 /nfs/dbraw/zinc/94/04/43/1030940443.db2.gz OAOLHUKVUWYFED-IBGZPJMESA-N 1 0 373.522 2.769 20 10 FFCDRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203876620 1030949777 /nfs/dbraw/zinc/94/97/77/1030949777.db2.gz GKAITVWNOCWKAY-UHFFFAOYSA-N 1 0 373.478 2.683 20 10 FFCDRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879179 1030955679 /nfs/dbraw/zinc/95/56/79/1030955679.db2.gz MYWYQTMTZQIDEZ-KRWDZBQOSA-N 1 0 352.434 2.736 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(N(C)C)cc3)CC2)C1 ZINC001203935650 1030995660 /nfs/dbraw/zinc/99/56/60/1030995660.db2.gz AMGHPKMVJXRZGT-GOSISDBHSA-N 1 0 359.514 2.602 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCCN3CC(=O)NC)CC2)cc1 ZINC001203940521 1030996946 /nfs/dbraw/zinc/99/69/46/1030996946.db2.gz OHSYVXZGTPEPBR-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c(O)c1 ZINC001204273369 1031199393 /nfs/dbraw/zinc/19/93/93/1031199393.db2.gz BCIDUBQNHBTEIY-FXAWDEMLSA-N 1 0 356.422 2.695 20 10 FFCDRO CN1CC[C@@]2(C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2c2ccccc2)C1=O ZINC001204273401 1031199448 /nfs/dbraw/zinc/19/94/48/1031199448.db2.gz BMQCTIAZYZFADH-NQIIRXRSSA-N 1 0 352.434 2.546 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(O)c1 ZINC001204274074 1031201295 /nfs/dbraw/zinc/20/12/95/1031201295.db2.gz HLJHKIGDJFSBQQ-LAUBAEHRSA-N 1 0 370.449 2.943 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CN1c1ccc(F)cc1 ZINC001204273783 1031201389 /nfs/dbraw/zinc/20/13/89/1031201389.db2.gz UTRAPNGTSFFPMA-HXUWFJFHSA-N 1 0 356.397 2.866 20 10 FFCDRO CN1C(=O)CC2(CC[NH+](Cc3ccc(O)cc3O)CC2)c2ccccc21 ZINC001204274868 1031201466 /nfs/dbraw/zinc/20/14/66/1031201466.db2.gz VAFMOURGTGXXRU-UHFFFAOYSA-N 1 0 352.434 2.998 20 10 FFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204325602 1031229196 /nfs/dbraw/zinc/22/91/96/1031229196.db2.gz RHUUNLRVRHKKOV-TZIWHRDSSA-N 1 0 358.482 2.831 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001204340115 1031234125 /nfs/dbraw/zinc/23/41/25/1031234125.db2.gz CXTCXSLPKZZSNX-GWCFXTLKSA-N 1 0 354.244 2.964 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CC12CC2 ZINC001204340149 1031235312 /nfs/dbraw/zinc/23/53/12/1031235312.db2.gz FIYIHCASPGOFQX-LBPRGKRZSA-N 1 0 370.243 2.548 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)cc(O)c1O ZINC001204341955 1031238379 /nfs/dbraw/zinc/23/83/79/1031238379.db2.gz IEALYDYRWMVAAS-UHFFFAOYSA-N 1 0 372.396 2.731 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c1O ZINC001143108481 1031239285 /nfs/dbraw/zinc/23/92/85/1031239285.db2.gz QDPATSSYIAEGQI-BHIYHBOVSA-N 1 0 372.509 2.805 20 10 FFCDRO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204344718 1031241195 /nfs/dbraw/zinc/24/11/95/1031241195.db2.gz BTRSORNSVYMXLG-AWEZNQCLSA-N 1 0 366.458 2.938 20 10 FFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347796 1031243356 /nfs/dbraw/zinc/24/33/56/1031243356.db2.gz CBLBIBXCLJODID-LIRRHRJNSA-N 1 0 351.443 2.514 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1O ZINC000798119934 1031315044 /nfs/dbraw/zinc/31/50/44/1031315044.db2.gz IPUJYOAZWDCMLD-QGZVFWFLSA-N 1 0 361.486 2.997 20 10 FFCDRO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350208 1031340915 /nfs/dbraw/zinc/34/09/15/1031340915.db2.gz PKWLHNCCSLXRPQ-BEFAXECRSA-N 1 0 365.477 2.926 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCCOc1ccccc1F ZINC000843350653 1031343509 /nfs/dbraw/zinc/34/35/09/1031343509.db2.gz SBLLXCHBLYAANU-UHFFFAOYSA-N 1 0 371.456 2.622 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCc1cccc2cccnc21 ZINC000843351829 1031345319 /nfs/dbraw/zinc/34/53/19/1031345319.db2.gz GMXUJAMZHYDHGY-UHFFFAOYSA-N 1 0 374.488 2.805 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843362777 1031356135 /nfs/dbraw/zinc/35/61/35/1031356135.db2.gz QGXWUBJPSOSXRN-CZUORRHYSA-N 1 0 369.465 2.675 20 10 FFCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000843433738 1031400573 /nfs/dbraw/zinc/40/05/73/1031400573.db2.gz IYWOPHFEFONOLV-WMZOPIPTSA-N 1 0 374.506 2.740 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000843433736 1031400631 /nfs/dbraw/zinc/40/06/31/1031400631.db2.gz IYWOPHFEFONOLV-FUHWJXTLSA-N 1 0 374.506 2.740 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2C)cc1 ZINC000843482142 1031421749 /nfs/dbraw/zinc/42/17/49/1031421749.db2.gz HBBZPRKFZYGFLJ-OXQOHEQNSA-N 1 0 353.466 2.927 20 10 FFCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843488078 1031425742 /nfs/dbraw/zinc/42/57/42/1031425742.db2.gz PWMVQBYPLQLKIT-CRAIPNDOSA-N 1 0 370.449 2.763 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](N)CSCC[NH3+])n2)cc1 ZINC001206630627 1031447228 /nfs/dbraw/zinc/44/72/28/1031447228.db2.gz KSXWQBIYJPJSGI-INIZCTEOSA-N 1 0 357.483 2.836 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(O)c1 ZINC001205024122 1031489460 /nfs/dbraw/zinc/48/94/60/1031489460.db2.gz ROVPRTJRGHOTJL-UHFFFAOYSA-N 1 0 354.450 2.790 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000799161303 1031674293 /nfs/dbraw/zinc/67/42/93/1031674293.db2.gz ZITUHQQXXMBZGZ-FQEVSTJZSA-N 1 0 358.438 2.732 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCc2ccccc21 ZINC000799343784 1031743185 /nfs/dbraw/zinc/74/31/85/1031743185.db2.gz NVXKZQMCDGINGX-JOCHJYFZSA-N 1 0 370.468 2.976 20 10 FFCDRO CCC(=O)C[N@@H+]1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276873905 1033345679 /nfs/dbraw/zinc/34/56/79/1033345679.db2.gz YKDYYHLVZNBQEJ-OAQYLSRUSA-N 1 0 357.498 2.689 20 10 FFCDRO CCOCC[NH+]1CCC2(C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001276874321 1033349987 /nfs/dbraw/zinc/34/99/87/1033349987.db2.gz HSMFZXKKHGEVIN-IBGZPJMESA-N 1 0 359.514 2.507 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000830207768 1033509218 /nfs/dbraw/zinc/50/92/18/1033509218.db2.gz NNWKSCIUEKVBMF-INIZCTEOSA-N 1 0 370.424 2.872 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000831123176 1033955669 /nfs/dbraw/zinc/95/56/69/1033955669.db2.gz HOGCKABQLQJJIR-UHFFFAOYSA-N 1 0 368.481 2.622 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCc4ccccc4[C@H]3C[NH3+])ccc21 ZINC000831123591 1033956631 /nfs/dbraw/zinc/95/66/31/1033956631.db2.gz XZOQAGHTYALTAS-OAQYLSRUSA-N 1 0 364.493 2.837 20 10 FFCDRO CC1=NC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C(=O)N1C ZINC001138222213 1033974359 /nfs/dbraw/zinc/97/43/59/1033974359.db2.gz MBRQSWATVACPJF-UHFFFAOYSA-N 1 0 354.498 2.902 20 10 FFCDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336528 1034168040 /nfs/dbraw/zinc/16/80/40/1034168040.db2.gz BVPOYHRZRCXXGN-IBGZPJMESA-N 1 0 371.525 2.972 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359295 1034197318 /nfs/dbraw/zinc/19/73/18/1034197318.db2.gz PVYMREVVGXPXER-IBGZPJMESA-N 1 0 359.514 2.528 20 10 FFCDRO c1cncc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC001138498464 1034337211 /nfs/dbraw/zinc/33/72/11/1034337211.db2.gz ZRCMEFMJFUMMQZ-UHFFFAOYSA-N 1 0 353.466 2.962 20 10 FFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499851 1034343341 /nfs/dbraw/zinc/34/33/41/1034343341.db2.gz LZPJRGYWDKJTPL-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676670 1034536939 /nfs/dbraw/zinc/53/69/39/1034536939.db2.gz RHHHCOKFOMYVNB-HNNXBMFYSA-N 1 0 369.303 2.633 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC001221281850 1034642681 /nfs/dbraw/zinc/64/26/81/1034642681.db2.gz FFUCPIANENLLGV-NQIIRXRSSA-N 1 0 366.509 2.994 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000832271989 1034693867 /nfs/dbraw/zinc/69/38/67/1034693867.db2.gz BLELKVMWMITQIW-JFIYKMOQSA-N 1 0 359.420 2.951 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c([nH]c2=O)CCCCC3)cc1 ZINC000832273739 1034694064 /nfs/dbraw/zinc/69/40/64/1034694064.db2.gz POKIAOKCVZMGRR-GOSISDBHSA-N 1 0 368.481 2.552 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2cccc(N(C)C)c2)cc1 ZINC000832284229 1034701237 /nfs/dbraw/zinc/70/12/37/1034701237.db2.gz IJIYUBAOSDEOMU-HXUWFJFHSA-N 1 0 354.498 2.567 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc4nonc4c3)CC2)cc1 ZINC001139223505 1035015213 /nfs/dbraw/zinc/01/52/13/1035015213.db2.gz RPYXYKYGEPXGGC-UHFFFAOYSA-N 1 0 368.437 2.570 20 10 FFCDRO COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139252931 1035030366 /nfs/dbraw/zinc/03/03/66/1035030366.db2.gz GAWCGXAJRBLRFG-UHFFFAOYSA-N 1 0 373.472 2.924 20 10 FFCDRO COc1cc(CN2CC(OCc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139256434 1035030438 /nfs/dbraw/zinc/03/04/38/1035030438.db2.gz BCXHXNHOXSFPLO-UHFFFAOYSA-N 1 0 356.466 2.863 20 10 FFCDRO COc1cc(CN2CCCc3cc(O)c(O)cc3C2)cc(C[NH+](C)C)c1O ZINC001139258974 1035032023 /nfs/dbraw/zinc/03/20/23/1035032023.db2.gz CQKBTFWJZQIBMB-UHFFFAOYSA-N 1 0 372.465 2.822 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2cc(F)ccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001140053719 1035323282 /nfs/dbraw/zinc/32/32/82/1035323282.db2.gz AQHXPXMHRKXKIQ-ICSRJNTNSA-N 1 0 364.461 2.913 20 10 FFCDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2cc(F)ccc2O)C3)n1 ZINC001140054674 1035324129 /nfs/dbraw/zinc/32/41/29/1035324129.db2.gz WFIPNKRCIFHPFI-UTKZUKDTSA-N 1 0 372.440 2.900 20 10 FFCDRO COC[C@H]1CN(Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001140057798 1035325364 /nfs/dbraw/zinc/32/53/64/1035325364.db2.gz MXFUJXPRXGCQQA-OAHLLOKOSA-N 1 0 354.422 2.599 20 10 FFCDRO Cc1cc(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC000834568976 1035408427 /nfs/dbraw/zinc/40/84/27/1035408427.db2.gz HDPFCOPLEDDVGV-JOCHJYFZSA-N 1 0 369.509 2.552 20 10 FFCDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140286863 1035419601 /nfs/dbraw/zinc/41/96/01/1035419601.db2.gz UBVHIUYWVDAMGR-QFIPXVFZSA-N 1 0 371.525 2.625 20 10 FFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001140338439 1035443503 /nfs/dbraw/zinc/44/35/03/1035443503.db2.gz JDRAXYCRLBNJLX-LJQANCHMSA-N 1 0 374.872 2.565 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001140341194 1035444412 /nfs/dbraw/zinc/44/44/12/1035444412.db2.gz BPJDAJNTBAMTAA-UKRRQHHQSA-N 1 0 356.850 2.506 20 10 FFCDRO COC(=O)COc1ccccc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001140421043 1035471509 /nfs/dbraw/zinc/47/15/09/1035471509.db2.gz KXEHFMLWHARIBZ-UHFFFAOYSA-N 1 0 370.449 2.569 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2.992 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c(O)c1 ZINC001236810094 1038284064 /nfs/dbraw/zinc/28/40/64/1038284064.db2.gz UXUPOGROPLLFCM-INIZCTEOSA-N 1 0 371.481 2.981 20 10 FFCDRO COCCN1CC[N@H+](Cc2c(C)cc(OC)cc2O)Cc2cccnc21 ZINC001236811757 1038286972 /nfs/dbraw/zinc/28/69/72/1038286972.db2.gz TYPQOMXHHOAFFH-UHFFFAOYSA-N 1 0 357.454 2.573 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](Oc3nccc(OC)n3)C2)c(O)c1 ZINC001236815279 1038287921 /nfs/dbraw/zinc/28/79/21/1038287921.db2.gz ISDJLXNMIOKOKJ-AWEZNQCLSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c(O)c1 ZINC001236821680 1038291334 /nfs/dbraw/zinc/29/13/34/1038291334.db2.gz SJLWSPWITRVHEQ-UHFFFAOYSA-N 1 0 368.477 2.986 20 10 FFCDRO O=C(CC1CC1)N[C@@H]1C[N@@H+](Cc2cc3ccccc3cc2O)[C@@H]2COC[C@H]12 ZINC001236832827 1038295317 /nfs/dbraw/zinc/29/53/17/1038295317.db2.gz QWZZHPOFXIUPIE-VAMGGRTRSA-N 1 0 366.461 2.661 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C2)O1 ZINC001236929640 1038361804 /nfs/dbraw/zinc/36/18/04/1038361804.db2.gz HTMZNEHINIAWGW-IBGZPJMESA-N 1 0 364.873 2.848 20 10 FFCDRO Cc1nc2c(s1)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)CC2 ZINC001236938959 1038368724 /nfs/dbraw/zinc/36/87/24/1038368724.db2.gz POUGVOBFFBXAPC-UHFFFAOYSA-N 1 0 360.502 2.901 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(Oc4ccccc4F)C3)c(F)c2)CC1 ZINC001236941853 1038371207 /nfs/dbraw/zinc/37/12/07/1038371207.db2.gz GFUXANBSCNEASG-UHFFFAOYSA-N 1 0 373.447 2.980 20 10 FFCDRO Cc1cc(CN2CCN[C@H](C(F)(F)F)C2)c(O)cc1Br ZINC001237001197 1038406314 /nfs/dbraw/zinc/40/63/14/1038406314.db2.gz UISGEGKEPXXRNC-LBPRGKRZSA-N 1 0 353.182 2.799 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c(O)c1 ZINC001237041353 1038418445 /nfs/dbraw/zinc/41/84/45/1038418445.db2.gz PWLFEROCCYDKMT-UHFFFAOYSA-N 1 0 368.477 2.963 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c(O)c1 ZINC001237041709 1038418526 /nfs/dbraw/zinc/41/85/26/1038418526.db2.gz SDPGCSXLGISLFU-OSYLJGHBSA-N 1 0 358.482 2.918 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001237042358 1038418965 /nfs/dbraw/zinc/41/89/65/1038418965.db2.gz ZWSTZKXXCHWPJC-HZPDHXFCSA-N 1 0 356.422 2.588 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c(O)c1 ZINC001237048216 1038421845 /nfs/dbraw/zinc/42/18/45/1038421845.db2.gz RJTSTVJFEPUYDP-MRXNPFEDSA-N 1 0 359.426 2.551 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237045321 1038422108 /nfs/dbraw/zinc/42/21/08/1038422108.db2.gz IVBHUHMVGAVHKM-IRXDYDNUSA-N 1 0 364.486 2.976 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(O)c1 ZINC001237044298 1038422160 /nfs/dbraw/zinc/42/21/60/1038422160.db2.gz YBFCILISHYMVNJ-QKNQBKEWSA-N 1 0 370.449 2.602 20 10 FFCDRO COc1cc(C)nc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)n1 ZINC001237051351 1038423224 /nfs/dbraw/zinc/42/32/24/1038423224.db2.gz KXMGYCPXMVNBTR-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)c(Br)c1 ZINC001237061283 1038427332 /nfs/dbraw/zinc/42/73/32/1038427332.db2.gz FAEXQUMVSDEGNX-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237114094 1038447952 /nfs/dbraw/zinc/44/79/52/1038447952.db2.gz HBALZELPUUYBNV-UHFFFAOYSA-N 1 0 358.360 2.878 20 10 FFCDRO CC1([NH+]2CCOCC2)CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237123870 1038450552 /nfs/dbraw/zinc/45/05/52/1038450552.db2.gz UFBKWUYMOPOKKY-UHFFFAOYSA-N 1 0 374.403 2.978 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(F)(C4CC4)CC3)cc2)CC1 ZINC001246382046 1039330651 /nfs/dbraw/zinc/33/06/51/1039330651.db2.gz LQRCQEKCEURMGA-UHFFFAOYSA-N 1 0 374.504 2.862 20 10 FFCDRO CCOC(=O)CC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001258499290 1039404143 /nfs/dbraw/zinc/40/41/43/1039404143.db2.gz JKMCPWNDUCRFFG-OAHLLOKOSA-N 1 0 350.459 2.558 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)c1O ZINC001276683551 1039523108 /nfs/dbraw/zinc/52/31/08/1039523108.db2.gz MOXAUOAXJZMIJH-NRFANRHFSA-N 1 0 351.450 2.863 20 10 FFCDRO O=C1C[C@H]([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CN1 ZINC001247006221 1039576318 /nfs/dbraw/zinc/57/63/18/1039576318.db2.gz UQSYRTAQXXISOZ-KRWDZBQOSA-N 1 0 362.433 2.505 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1C ZINC001259170209 1039762245 /nfs/dbraw/zinc/76/22/45/1039762245.db2.gz POSZLZMORBZQGO-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001278688045 1039813414 /nfs/dbraw/zinc/81/34/14/1039813414.db2.gz SKRYKDAOCNMALY-IBGZPJMESA-N 1 0 353.457 2.520 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001278761323 1040562401 /nfs/dbraw/zinc/56/24/01/1040562401.db2.gz DQGWQORXMNGPMG-BTHPGYMESA-N 1 0 372.509 2.515 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(O)c1 ZINC001249201202 1040624455 /nfs/dbraw/zinc/62/44/55/1040624455.db2.gz KFDIVMFJXMYDFA-UHFFFAOYSA-N 1 0 356.422 2.546 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC001249201570 1040626139 /nfs/dbraw/zinc/62/61/39/1040626139.db2.gz YGEZUGZATMUUPS-UHFFFAOYSA-N 1 0 371.433 2.683 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccc(N3CCOCC3)cc2)no1)c1ccccc1O ZINC001249339991 1040690603 /nfs/dbraw/zinc/69/06/03/1040690603.db2.gz QOFDANVSMPUKNK-QGZVFWFLSA-N 1 0 366.421 2.521 20 10 FFCDRO COc1cc(F)c(-c2noc(C[C@@H]([NH3+])c3ccccc3O)n2)cc1OC ZINC001249340088 1040691020 /nfs/dbraw/zinc/69/10/20/1040691020.db2.gz UPCLWTCBKHYIFX-CYBMUJFWSA-N 1 0 359.357 2.841 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001254566473 1040801722 /nfs/dbraw/zinc/80/17/22/1040801722.db2.gz KJDMTAYHWSQAFL-SFHVURJKSA-N 1 0 353.422 2.688 20 10 FFCDRO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001254772393 1040943004 /nfs/dbraw/zinc/94/30/04/1040943004.db2.gz UHGPETOXUYVWBQ-UHFFFAOYSA-N 1 0 359.495 2.856 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CCC([NH+](C)C)CC2)c(O)c1 ZINC001249724687 1040961163 /nfs/dbraw/zinc/96/11/63/1040961163.db2.gz JIANEWLPPREWMS-UHFFFAOYSA-N 1 0 364.486 2.640 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001249731604 1040966809 /nfs/dbraw/zinc/96/68/09/1040966809.db2.gz VQIZOIHRPCFIAL-XIRDDKMYSA-N 1 0 351.418 2.904 20 10 FFCDRO CC(C)(C)OC(=O)NCc1c[nH+]ccc1N(CCO)c1ccc(N)cc1 ZINC001249820741 1041018773 /nfs/dbraw/zinc/01/87/73/1041018773.db2.gz KEEICFXOWQRXDI-UHFFFAOYSA-N 1 0 358.442 2.819 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1O ZINC001278554321 1041132061 /nfs/dbraw/zinc/13/20/61/1041132061.db2.gz PVNAZOCEJBUCIA-CALCHBBNSA-N 1 0 359.857 2.792 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)CCC2 ZINC001250672501 1041290824 /nfs/dbraw/zinc/29/08/24/1041290824.db2.gz XWNQOWAQPMVOSG-MRXNPFEDSA-N 1 0 363.841 2.939 20 10 FFCDRO COc1cccc([C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3C)CC2)c1 ZINC001250718353 1041324744 /nfs/dbraw/zinc/32/47/44/1041324744.db2.gz TVQITRWDMBHNIH-NRFANRHFSA-N 1 0 356.466 2.868 20 10 FFCDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261671222 1041362938 /nfs/dbraw/zinc/36/29/38/1041362938.db2.gz KXBQCNUDYDXONP-UHFFFAOYSA-N 1 0 350.526 2.788 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)CSC)C[C@H]2C)cc1C ZINC001214341781 1041384728 /nfs/dbraw/zinc/38/47/28/1041384728.db2.gz VLDGXQIEOUJLPG-HLLBOEOZSA-N 1 0 350.528 2.939 20 10 FFCDRO COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c([O-])cc(F)cc3F)(C1)CCC2 ZINC001278606328 1041397661 /nfs/dbraw/zinc/39/76/61/1041397661.db2.gz VSCYNBDFFUWIMB-MOPGFXCFSA-N 1 0 370.440 2.816 20 10 FFCDRO CC1(C)CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC(C)(C)[NH2+]1 ZINC001263704901 1042444373 /nfs/dbraw/zinc/44/43/73/1042444373.db2.gz IAEBSUMXBAVYOU-UHFFFAOYSA-N 1 0 374.529 2.585 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3ccnc3C)C2)cc1C ZINC001264490842 1042695029 /nfs/dbraw/zinc/69/50/29/1042695029.db2.gz CRLQCCHSIDHDKA-RBUKOAKNSA-N 1 0 370.497 2.583 20 10 FFCDRO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001279141626 1042916105 /nfs/dbraw/zinc/91/61/05/1042916105.db2.gz HAPHYPVTKROSMS-ALOPSCKCSA-N 1 0 356.470 2.599 20 10 FFCDRO COCCOCN1CCCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)C1 ZINC001279196964 1042941849 /nfs/dbraw/zinc/94/18/49/1042941849.db2.gz FPRMTMRQUYXLTC-UHFFFAOYSA-N 1 0 366.477 2.830 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001279197380 1042941967 /nfs/dbraw/zinc/94/19/67/1042941967.db2.gz UAYSFYWRFFJJOB-GASCZTMLSA-N 1 0 362.367 2.759 20 10 FFCDRO Cc1cc(CN2CC3(C2)CCC[N@H+](Cc2cc(F)ccc2O)C3)n(C)n1 ZINC001279197305 1042941995 /nfs/dbraw/zinc/94/19/95/1042941995.db2.gz QFRWOGBROULNPR-UHFFFAOYSA-N 1 0 358.461 2.671 20 10 FFCDRO CC(C)NC(=O)N1CCC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001279231231 1042956628 /nfs/dbraw/zinc/95/66/28/1042956628.db2.gz LVDXRBSDVZJEDK-UHFFFAOYSA-N 1 0 356.514 2.913 20 10 FFCDRO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@H](C1)O2 ZINC001279236151 1042959815 /nfs/dbraw/zinc/95/98/15/1042959815.db2.gz YUFFTCVQKIFAHL-CALCHBBNSA-N 1 0 373.522 2.859 20 10 FFCDRO Cc1ncsc1CN1[C@H]2COC[C@@H]1C[N@H+](Cc1cccc(C)c1O)C2 ZINC001279291070 1042986218 /nfs/dbraw/zinc/98/62/18/1042986218.db2.gz XGJYSGZKPRXCPZ-CALCHBBNSA-N 1 0 359.495 2.551 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NCC(F)(F)F)c1O ZINC001279291061 1042986287 /nfs/dbraw/zinc/98/62/87/1042986287.db2.gz XBLVYFISDRGLAV-KBPBESRZSA-N 1 0 357.376 2.621 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237214125 1043056552 /nfs/dbraw/zinc/05/65/52/1043056552.db2.gz CKIZJRHYXBGVNJ-XLIONFOSSA-N 1 0 350.503 2.584 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001237214989 1043059042 /nfs/dbraw/zinc/05/90/42/1043059042.db2.gz IVOPZKVJHMCMPK-ICSRJNTNSA-N 1 0 364.530 2.974 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001237488813 1043203889 /nfs/dbraw/zinc/20/38/89/1043203889.db2.gz RCGHCJBBYKKSHD-WIYYLYMNSA-N 1 0 366.461 2.674 20 10 FFCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001237641093 1043288371 /nfs/dbraw/zinc/28/83/71/1043288371.db2.gz LOCMXDIDBOAIAY-UWJYYQICSA-N 1 0 371.408 2.820 20 10 FFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237671812 1043301210 /nfs/dbraw/zinc/30/12/10/1043301210.db2.gz BLXDUAFTFISRBP-QRWLVFNGSA-N 1 0 365.470 2.817 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c(O)c(OC)c1 ZINC001237677132 1043305247 /nfs/dbraw/zinc/30/52/47/1043305247.db2.gz XMFXCNVCMBAFQJ-OAHLLOKOSA-N 1 0 362.470 2.634 20 10 FFCDRO CC(C)(C)[NH+]1CCN(Cc2cccc(I)c2O)CC1 ZINC001237779363 1043353170 /nfs/dbraw/zinc/35/31/70/1043353170.db2.gz FKVRAMTVZHAORG-UHFFFAOYSA-N 1 0 374.266 2.913 20 10 FFCDRO C[NH+](C)[C@H]1CCCN(Cc2cccc(I)c2O)C1 ZINC001237779698 1043354229 /nfs/dbraw/zinc/35/42/29/1043354229.db2.gz LTFNDMGQWUBFGI-LBPRGKRZSA-N 1 0 360.239 2.523 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3cc(F)cc(Cl)c3[O-])CC2)C1=O ZINC001237799926 1043366164 /nfs/dbraw/zinc/36/61/64/1043366164.db2.gz KFELUTKLAYSMDQ-UHFFFAOYSA-N 1 0 370.852 2.646 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(CN(C(=O)CCc4ccc[nH]4)C3)C2)c(O)c1 ZINC001279664013 1043425464 /nfs/dbraw/zinc/42/54/64/1043425464.db2.gz OBTZNWMIRZYMOK-UHFFFAOYSA-N 1 0 353.466 2.560 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c1O ZINC001238062018 1043508740 /nfs/dbraw/zinc/50/87/40/1043508740.db2.gz SHNDWYTZIJKYGR-FQEVSTJZSA-N 1 0 372.444 2.592 20 10 FFCDRO Cc1cc(F)cc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1O ZINC001238063130 1043511441 /nfs/dbraw/zinc/51/14/41/1043511441.db2.gz XWJZOWIPUFHNMB-WOJBJXKFSA-N 1 0 371.456 2.710 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)cc1 ZINC001279744664 1043575180 /nfs/dbraw/zinc/57/51/80/1043575180.db2.gz UNFBMJOFSZMWHP-QGZVFWFLSA-N 1 0 361.555 2.975 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(F)(C4CC4)C3)C2)cc1 ZINC001279745004 1043575638 /nfs/dbraw/zinc/57/56/38/1043575638.db2.gz ZPMNOOIEMHNKBL-YLJYHZDGSA-N 1 0 357.473 2.535 20 10 FFCDRO C[C@@H]1CC[C@@](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(CC(=O)[O-])C1 ZINC000756314463 1043579098 /nfs/dbraw/zinc/57/90/98/1043579098.db2.gz ZVCVBLRCMYIQON-UTKZUKDTSA-N 1 0 359.514 2.809 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000756380128 1043599526 /nfs/dbraw/zinc/59/95/26/1043599526.db2.gz DYXDQIQVCJQHJH-WOJBJXKFSA-N 1 0 359.514 2.952 20 10 FFCDRO CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)Cc2ccnn21)C(C)C ZINC001279970950 1044009071 /nfs/dbraw/zinc/00/90/71/1044009071.db2.gz JZZPOLIUQPWIAK-SFHVURJKSA-N 1 0 356.470 2.793 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CCC(F)CC2)c1O ZINC001279977462 1044024120 /nfs/dbraw/zinc/02/41/20/1044024120.db2.gz MTHULNADCQHYKG-ZYJFZYNKSA-N 1 0 362.445 2.762 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001279979711 1044025619 /nfs/dbraw/zinc/02/56/19/1044025619.db2.gz FAMVSDAULQKJRO-WIYYLYMNSA-N 1 0 356.466 2.791 20 10 FFCDRO Cc1cc(F)cc(CN2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)c1O ZINC001280034177 1044111578 /nfs/dbraw/zinc/11/15/78/1044111578.db2.gz ZAFFDTZGSHPFCM-UHFFFAOYSA-N 1 0 357.429 2.648 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)Nc3nnco3)C2)c(O)c1 ZINC001280047227 1044135135 /nfs/dbraw/zinc/13/51/35/1044135135.db2.gz BUQDIIUSLFDFAE-BEFAXECRSA-N 1 0 356.426 2.715 20 10 FFCDRO O=C(NCC(F)F)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001280082644 1044183886 /nfs/dbraw/zinc/18/38/86/1044183886.db2.gz GRNNTMVZDMIAQK-CYBMUJFWSA-N 1 0 368.424 2.861 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(CC4CC4)CC3)cc2)CC1 ZINC001313213087 1044275841 /nfs/dbraw/zinc/27/58/41/1044275841.db2.gz ZLCQLHQHBBFBIE-UHFFFAOYSA-N 1 0 356.514 2.818 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001318408554 1045293809 /nfs/dbraw/zinc/29/38/09/1045293809.db2.gz COTBDZRWOJRGSK-UXHICEINSA-N 1 0 374.529 2.836 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](CCO)Cc3ccccc3)cc2F)CC1 ZINC001321351106 1045636817 /nfs/dbraw/zinc/63/68/17/1045636817.db2.gz XOAPIZJMNICQRY-FQEVSTJZSA-N 1 0 371.500 2.661 20 10 FFCDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323726260 1045699301 /nfs/dbraw/zinc/69/93/01/1045699301.db2.gz JRQQSKFVHATGNS-UHFFFAOYSA-N 1 0 362.537 2.885 20 10 FFCDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001325658654 1046598044 /nfs/dbraw/zinc/59/80/44/1046598044.db2.gz IUAQCVOLCUDIAX-JOCHJYFZSA-N 1 0 371.500 2.963 20 10 FFCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001325893127 1046678917 /nfs/dbraw/zinc/67/89/17/1046678917.db2.gz XCZJKVBJGYEOFW-XLIONFOSSA-N 1 0 359.514 2.902 20 10 FFCDRO Cc1ccc2c(c1)S[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC001326038977 1046737666 /nfs/dbraw/zinc/73/76/66/1046737666.db2.gz UUPGCZGLODBJOF-IEBWSBKVSA-N 1 0 355.507 2.894 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn(C3CCCCC3)c2)cc1 ZINC001326282492 1046846719 /nfs/dbraw/zinc/84/67/19/1046846719.db2.gz RACFMBAJTFEKBU-IBGZPJMESA-N 1 0 355.486 2.884 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)cc1 ZINC001290005652 1047807863 /nfs/dbraw/zinc/80/78/63/1047807863.db2.gz PJSOZIOZFPDCHW-GOSISDBHSA-N 1 0 370.449 2.602 20 10 FFCDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1c1ccc(F)cc1 ZINC001327478828 1047915334 /nfs/dbraw/zinc/91/53/34/1047915334.db2.gz FHWZBUBBCXXNAK-RBUKOAKNSA-N 1 0 356.445 2.695 20 10 FFCDRO C[NH2+][C@H](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001327487590 1047919417 /nfs/dbraw/zinc/91/94/17/1047919417.db2.gz SPWLLYVFOPUGGU-ZIAGYGMSSA-N 1 0 370.444 2.554 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1O ZINC001331552556 1047999191 /nfs/dbraw/zinc/99/91/91/1047999191.db2.gz HRUYBAQNZLHTMV-UHFFFAOYSA-N 1 0 358.438 2.952 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC001332087052 1048241791 /nfs/dbraw/zinc/24/17/91/1048241791.db2.gz FHGNMDXSQGVKEV-YLJYHZDGSA-N 1 0 359.514 2.650 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC001332515328 1048429738 /nfs/dbraw/zinc/42/97/38/1048429738.db2.gz FTQJPCJCKQDPII-GZOSKZMVSA-N 1 0 363.477 2.573 20 10 FFCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 ZINC001333873575 1049153162 /nfs/dbraw/zinc/15/31/62/1049153162.db2.gz KSXFWUPCKIEBEO-UWJYYQICSA-N 1 0 371.477 2.858 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC001331273272 1049542820 /nfs/dbraw/zinc/54/28/20/1049542820.db2.gz XDCRHSCAAYGAOT-JKSUJKDBSA-N 1 0 369.303 2.888 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001295275072 1049913105 /nfs/dbraw/zinc/91/31/05/1049913105.db2.gz DWXFNNAPEOHPJC-PKOBYXMFSA-N 1 0 359.514 2.854 20 10 FFCDRO [NH3+][C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCCCSc1nccs1 ZINC001341563099 1050190452 /nfs/dbraw/zinc/19/04/52/1050190452.db2.gz VMYXFGCVYNIFIQ-AWEZNQCLSA-N 1 0 360.508 2.793 20 10 FFCDRO [NH3+]CCCc1ccc(OCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC001341569946 1050196095 /nfs/dbraw/zinc/19/60/95/1050196095.db2.gz CROUZNLFMIVHFH-UHFFFAOYSA-N 1 0 367.493 2.873 20 10 FFCDRO C[C@@H](NC(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC001341677792 1050299583 /nfs/dbraw/zinc/29/95/83/1050299583.db2.gz SSTURIYNCLVJRC-LKUPVBHCSA-N 1 0 357.498 2.623 20 10 FFCDRO C[C@@H]1[NH2+]CCn2c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 ZINC001340319003 1050718236 /nfs/dbraw/zinc/71/82/36/1050718236.db2.gz DQVRTTSYLLGISL-RDJZCZTQSA-N 1 0 369.465 2.679 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001342567953 1051173467 /nfs/dbraw/zinc/17/34/67/1051173467.db2.gz GSYFQJPJIRFHQG-LJQANCHMSA-N 1 0 361.873 2.544 20 10 FFCDRO CS[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH+]1CCCC1 ZINC001341075326 1051419184 /nfs/dbraw/zinc/41/91/84/1051419184.db2.gz CYDLIHHJJVMOHB-WOJBJXKFSA-N 1 0 361.555 2.535 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC001345079563 1052244644 /nfs/dbraw/zinc/24/46/44/1052244644.db2.gz XSIOHIGXVXKLSI-IRXDYDNUSA-N 1 0 360.498 2.720 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC001308338461 1052448052 /nfs/dbraw/zinc/44/80/52/1052448052.db2.gz ZIEVZOFTWNLBPN-UHFFFAOYSA-N 1 0 363.508 2.616 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@]3(C)CCCCO3)CC2)cc(OC)c1OC ZINC001308669915 1052484286 /nfs/dbraw/zinc/48/42/86/1052484286.db2.gz MAYOOKLMJCMKNN-FQEVSTJZSA-N 1 0 364.486 2.794 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N(C)C3(C[NH3+])CCOCC3)cc2)CC1 ZINC001335431577 1053358899 /nfs/dbraw/zinc/35/88/99/1053358899.db2.gz NDTVCWWIYKRODH-UHFFFAOYSA-N 1 0 374.529 2.572 20 10 FFCDRO COCCOC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001335464655 1053380905 /nfs/dbraw/zinc/38/09/05/1053380905.db2.gz GEALSLGHKRRHGO-GJZGRUSLSA-N 1 0 358.429 2.898 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC(OCC(N)=O)CC2)cc1 ZINC001347782810 1054314218 /nfs/dbraw/zinc/31/42/18/1054314218.db2.gz VUFFOTIAWNNJGB-UHFFFAOYSA-N 1 0 373.522 2.851 20 10 FFCDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1O ZINC001348937121 1055007814 /nfs/dbraw/zinc/00/78/14/1055007814.db2.gz NGSZEFCWPRJVKW-OAHLLOKOSA-N 1 0 367.449 2.804 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC001337838745 1055050382 /nfs/dbraw/zinc/05/03/82/1055050382.db2.gz RZFAPAGDZJUOLP-IYBDPMFKSA-N 1 0 353.466 2.808 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1O ZINC000848900479 1055330326 /nfs/dbraw/zinc/33/03/26/1055330326.db2.gz MALJLOGBMQVHNG-AWEZNQCLSA-N 1 0 356.430 3.000 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@](C)(C(=O)[O-])c3ccccc3)cc2)CC1 ZINC001350602155 1055855827 /nfs/dbraw/zinc/85/58/27/1055855827.db2.gz VQPFYTZJICJXJO-OAQYLSRUSA-N 1 0 353.466 2.528 20 10 FFCDRO C[C@@H]1CO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001545632431 1071823024 /nfs/dbraw/zinc/82/30/24/1071823024.db2.gz LTOFCXSICBMPIY-NUTKFTJISA-N 1 0 352.862 2.551 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C ZINC001503479210 1059032727 /nfs/dbraw/zinc/03/27/27/1059032727.db2.gz BNZFIIZAQBYNHK-ZYSHUDEJSA-N 1 0 370.497 2.525 20 10 FFCDRO Cc1cc(CNC(=O)c2ccnn2CC[NH+](C)C)c(C)n1-c1ccccc1 ZINC001454627901 1059587405 /nfs/dbraw/zinc/58/74/05/1059587405.db2.gz WVUGVWLDMCRKST-UHFFFAOYSA-N 1 0 365.481 2.782 20 10 FFCDRO COc1ccc2c(c1)[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000848393523 1059925228 /nfs/dbraw/zinc/92/52/28/1059925228.db2.gz FWEQFHMLXCDYAN-TZIWHRDSSA-N 1 0 367.493 2.997 20 10 FFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccn1 ZINC000848519985 1060209644 /nfs/dbraw/zinc/20/96/44/1060209644.db2.gz GUOHPMCZSXXHPZ-MAUKXSAKSA-N 1 0 368.481 2.643 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C3CC3)[nH]c2=O)[NH+](C)C)cc1 ZINC001456938778 1060233842 /nfs/dbraw/zinc/23/38/42/1060233842.db2.gz YIXDGIQLJUKLGJ-LJQANCHMSA-N 1 0 368.481 2.763 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC001456937228 1060234861 /nfs/dbraw/zinc/23/48/61/1060234861.db2.gz VEVGVVUEERDLGW-GOSISDBHSA-N 1 0 374.416 2.833 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001460635028 1061041861 /nfs/dbraw/zinc/04/18/61/1061041861.db2.gz FRYADFCTJCCDDB-OAHLLOKOSA-N 1 0 357.429 2.531 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H](CO)Cc3ccccc3)cc2F)CC1 ZINC001461101086 1061208762 /nfs/dbraw/zinc/20/87/62/1061208762.db2.gz PBEQXPXSXXLPPN-HXUWFJFHSA-N 1 0 371.500 2.518 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)Cc3cccc(Cl)c3)cc2)CC1 ZINC001461728084 1061391170 /nfs/dbraw/zinc/39/11/70/1061391170.db2.gz JVCFXILMFHAIRU-OAQYLSRUSA-N 1 0 373.928 2.785 20 10 FFCDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001477634964 1061761170 /nfs/dbraw/zinc/76/11/70/1061761170.db2.gz NBDADPAJQVYZMN-LJQANCHMSA-N 1 0 358.530 2.941 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2Cc3ccccc3C2)[NH+](C)C)cc1 ZINC001478393072 1062001569 /nfs/dbraw/zinc/00/15/69/1062001569.db2.gz XOTKLKIZMFEMRB-OAQYLSRUSA-N 1 0 366.509 2.822 20 10 FFCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC001438905185 1063068149 /nfs/dbraw/zinc/06/81/49/1063068149.db2.gz WXBYXSJYJVOWDT-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1ccn2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)nc2c1 ZINC001439960696 1063241062 /nfs/dbraw/zinc/24/10/62/1063241062.db2.gz NQDARSXHJFHADL-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc43)cc2)CC1 ZINC001533683870 1063373722 /nfs/dbraw/zinc/37/37/22/1063373722.db2.gz LSGXKSOACFMPDS-LJQANCHMSA-N 1 0 367.518 2.944 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2CO)C1 ZINC001441092134 1063395953 /nfs/dbraw/zinc/39/59/53/1063395953.db2.gz BNJMKPCLYXVFPZ-KRWDZBQOSA-N 1 0 369.509 2.781 20 10 FFCDRO COC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCCC1 ZINC001469833899 1064217215 /nfs/dbraw/zinc/21/72/15/1064217215.db2.gz ZNGRJPOCWZRWIU-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c(O)c1OC ZINC001474477391 1065532777 /nfs/dbraw/zinc/53/27/77/1065532777.db2.gz RZISFESPRCOICY-LBPRGKRZSA-N 1 0 369.425 2.749 20 10 FFCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474636719 1065568525 /nfs/dbraw/zinc/56/85/25/1065568525.db2.gz OZBIOAWYHPCPTK-RBBKRZOGSA-N 1 0 352.478 2.567 20 10 FFCDRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001577012440 1078293700 /nfs/dbraw/zinc/29/37/00/1078293700.db2.gz SARFGCNTHJIXNG-JJRVBVJISA-N 1 0 374.508 2.828 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@@H]1CC1(C)C ZINC001578496396 1078482125 /nfs/dbraw/zinc/48/21/25/1078482125.db2.gz GGOBBMKPGDJYDN-HRCADAONSA-N 1 0 355.486 2.871 20 10 FFCDRO C[C@@H]([NH3+])Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1O ZINC001579405894 1078626495 /nfs/dbraw/zinc/62/64/95/1078626495.db2.gz HWFNJOMXVJCLJN-CYBMUJFWSA-N 1 0 357.483 2.620 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC[NH2+]C2)nnc1N1CCCC1 ZINC001579617670 1078650821 /nfs/dbraw/zinc/65/08/21/1078650821.db2.gz UDKANQONROXPRM-KRWDZBQOSA-N 1 0 368.529 2.768 20 10 FFCDRO CN(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC001583475681 1079221046 /nfs/dbraw/zinc/22/10/46/1079221046.db2.gz LJCKZAGJTKLFAX-UHFFFAOYSA-N 1 0 370.472 2.574 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1F ZINC001559642454 1076178725 /nfs/dbraw/zinc/17/87/25/1076178725.db2.gz PQXPHEQUQPLTQY-XLIONFOSSA-N 1 0 364.461 2.685 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CC(C)C)C(=O)N1CCOCC1 ZINC001560516106 1076277084 /nfs/dbraw/zinc/27/70/84/1076277084.db2.gz TUSGEKMTMBHPKB-SFHVURJKSA-N 1 0 357.498 2.850 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001561040137 1076323622 /nfs/dbraw/zinc/32/36/22/1076323622.db2.gz KSBMXYANRXGPOI-CBUFDYBVSA-N 1 0 371.481 2.924 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C2CC2)cc1C ZINC001566724477 1076977891 /nfs/dbraw/zinc/97/78/91/1076977891.db2.gz JJOAEIAVXOPADS-MLYOOKFZSA-N 1 0 358.482 2.556 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc2ccccc2c1O ZINC000359958872 210200846 /nfs/dbraw/zinc/20/08/46/210200846.db2.gz LENBHOJQVJWIRR-PKOBYXMFSA-N 1 0 369.509 2.603 20 10 FFCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)nn1 ZINC000375170367 512194418 /nfs/dbraw/zinc/19/44/18/512194418.db2.gz FGNANIAMLYBMES-HNNXBMFYSA-N 1 0 366.421 2.761 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCc2ccccc21 ZINC000366920883 512251486 /nfs/dbraw/zinc/25/14/86/512251486.db2.gz IUVIBYCIJPIDEQ-QFIPXVFZSA-N 1 0 352.478 2.837 20 10 FFCDRO O=C(C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCOCC1 ZINC000042912788 506679371 /nfs/dbraw/zinc/67/93/71/506679371.db2.gz VQXDRRJTVKYBGQ-UHFFFAOYSA-N 1 0 354.450 2.616 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000067977843 507074814 /nfs/dbraw/zinc/07/48/14/507074814.db2.gz MWZZJBFIJYYCNM-UHFFFAOYSA-N 1 0 374.506 2.739 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000367066340 512321775 /nfs/dbraw/zinc/32/17/75/512321775.db2.gz MPFFTPYIHGTGEA-OAQYLSRUSA-N 1 0 373.541 2.756 20 10 FFCDRO CC(C)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[NH+](C)C ZINC000106915507 507829115 /nfs/dbraw/zinc/82/91/15/507829115.db2.gz BXIUTLLCRUGNJR-QGZVFWFLSA-N 1 0 369.456 2.959 20 10 FFCDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089546747 507846418 /nfs/dbraw/zinc/84/64/18/507846418.db2.gz ZMNOGMHSTBILAS-HNNXBMFYSA-N 1 0 371.456 2.655 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000073898643 507964951 /nfs/dbraw/zinc/96/49/51/507964951.db2.gz UOYLSNXNMCLWLJ-OAHLLOKOSA-N 1 0 361.442 2.876 20 10 FFCDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000091867434 508020496 /nfs/dbraw/zinc/02/04/96/508020496.db2.gz NCLKRSCEQYPEPK-MRXNPFEDSA-N 1 0 373.501 2.551 20 10 FFCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159476 508086999 /nfs/dbraw/zinc/08/69/99/508086999.db2.gz MNBVQUOMQWMHGB-HXUWFJFHSA-N 1 0 360.498 2.680 20 10 FFCDRO C[NH+]1CCC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000081325572 508162869 /nfs/dbraw/zinc/16/28/69/508162869.db2.gz CJSUDZUUYKTWAS-UHFFFAOYSA-N 1 0 367.440 2.715 20 10 FFCDRO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000112583650 508199659 /nfs/dbraw/zinc/19/96/59/508199659.db2.gz RJFVKXLMOWFZGK-AWEZNQCLSA-N 1 0 358.438 2.546 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000113328183 508260704 /nfs/dbraw/zinc/26/07/04/508260704.db2.gz FXSHFURURLHPDE-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(O)cc3)cc2F)CC1 ZINC000133680771 508434324 /nfs/dbraw/zinc/43/43/24/508434324.db2.gz FSZKWDDQGFXKFZ-UHFFFAOYSA-N 1 0 371.456 2.532 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000152985896 508537395 /nfs/dbraw/zinc/53/73/95/508537395.db2.gz DZEREJRNKWVDMV-SFHVURJKSA-N 1 0 367.497 2.958 20 10 FFCDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119186499 508743776 /nfs/dbraw/zinc/74/37/76/508743776.db2.gz HDIREIGEZDTHLJ-NVXWUHKLSA-N 1 0 352.450 2.509 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000154739823 508845880 /nfs/dbraw/zinc/84/58/80/508845880.db2.gz KBFYDFROHIHVPO-LJQANCHMSA-N 1 0 356.514 2.982 20 10 FFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151544900 509040760 /nfs/dbraw/zinc/04/07/60/509040760.db2.gz IFQKPBODWWYBME-HNNXBMFYSA-N 1 0 365.493 2.523 20 10 FFCDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000161294928 509098544 /nfs/dbraw/zinc/09/85/44/509098544.db2.gz OUUITSBMTSRVSW-KKSFZXQISA-N 1 0 356.466 2.916 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132977853 509098859 /nfs/dbraw/zinc/09/88/59/509098859.db2.gz WBFPRSAUMMJDKM-CQSZACIVSA-N 1 0 367.465 2.838 20 10 FFCDRO C[NH+](C)CCCOc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000264149413 509352148 /nfs/dbraw/zinc/35/21/48/509352148.db2.gz JQDGJBWMOOYMLG-UHFFFAOYSA-N 1 0 357.454 2.722 20 10 FFCDRO COc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000264282138 509432396 /nfs/dbraw/zinc/43/23/96/509432396.db2.gz RBSQGNOEESYHEK-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179554231 509508956 /nfs/dbraw/zinc/50/89/56/509508956.db2.gz ALDZLPUXYGANSP-UHFFFAOYSA-N 1 0 354.406 2.972 20 10 FFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000186109072 509525788 /nfs/dbraw/zinc/52/57/88/509525788.db2.gz TWFGAACLBOOIQI-ZYHUDNBSSA-N 1 0 356.264 2.609 20 10 FFCDRO CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c(O)c1 ZINC000236938871 509537670 /nfs/dbraw/zinc/53/76/70/509537670.db2.gz SJZWGVQPYKNVSD-UHFFFAOYSA-N 1 0 369.465 2.970 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(O)c1 ZINC000186141335 509542622 /nfs/dbraw/zinc/54/26/22/509542622.db2.gz JRQNXWRKBYRSPT-ZDUSSCGKSA-N 1 0 354.497 2.733 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCCC(=O)NC(N)=O)Cc1ccccc1O ZINC000179649049 509554466 /nfs/dbraw/zinc/55/44/66/509554466.db2.gz SAGDUOWDJVKYSD-OAHLLOKOSA-N 1 0 355.438 2.931 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000237875114 509758630 /nfs/dbraw/zinc/75/86/30/509758630.db2.gz WDYFZCPSIRAWCO-RBSFLKMASA-N 1 0 367.440 2.891 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000171380266 510117247 /nfs/dbraw/zinc/11/72/47/510117247.db2.gz GOODYNQPSSRVPN-HNNXBMFYSA-N 1 0 373.522 2.828 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2F)CC1 ZINC000193991164 510166055 /nfs/dbraw/zinc/16/60/55/510166055.db2.gz FPVLXWDQYKDHQY-NSISKUIASA-N 1 0 360.473 2.834 20 10 FFCDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000268981126 510173597 /nfs/dbraw/zinc/17/35/97/510173597.db2.gz HRLMDCWJAHDPEO-HPUBIQBYSA-N 1 0 363.477 2.618 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000181030517 510248449 /nfs/dbraw/zinc/24/84/49/510248449.db2.gz SZLFBIFNLDBXCN-UHFFFAOYSA-N 1 0 355.843 2.618 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000177856138 510290794 /nfs/dbraw/zinc/29/07/94/510290794.db2.gz CKFYABZPLDGUBF-OAHLLOKOSA-N 1 0 353.532 2.607 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)ccc1OC ZINC000269940493 510609632 /nfs/dbraw/zinc/60/96/32/510609632.db2.gz OXJVRUFMHBYTOE-WOJBJXKFSA-N 1 0 359.466 2.806 20 10 FFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)cc1O)CC2 ZINC000185318157 510802927 /nfs/dbraw/zinc/80/29/27/510802927.db2.gz MNQUQRAQRZQHRN-BXKDBHETSA-N 1 0 351.248 2.720 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000182209982 510814291 /nfs/dbraw/zinc/81/42/91/510814291.db2.gz RVCZMPZREHKANS-HNNXBMFYSA-N 1 0 356.422 2.584 20 10 FFCDRO CN(Cc1ccccc1O)CC1(C[N@H+](C)Cc2ccccc2O)COC1 ZINC000182334335 510851436 /nfs/dbraw/zinc/85/14/36/510851436.db2.gz QBZSSMOERQLNNT-UHFFFAOYSA-N 1 0 356.466 2.678 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c(O)c1 ZINC000285485959 510926919 /nfs/dbraw/zinc/92/69/19/510926919.db2.gz LYAHIGMXFIYCEZ-KRWDZBQOSA-N 1 0 372.469 2.930 20 10 FFCDRO CN(C)S(=O)(=O)CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000294008463 510927635 /nfs/dbraw/zinc/92/76/35/510927635.db2.gz DDXFBRXETLUXNZ-SFHVURJKSA-N 1 0 362.495 2.547 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCOc2ncccc2Cl)ccc1[N+](=O)[O-] ZINC000278472381 510994168 /nfs/dbraw/zinc/99/41/68/510994168.db2.gz HLSXZGXKAUQWNG-UHFFFAOYSA-N 1 0 353.762 2.526 20 10 FFCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1O ZINC000278804086 511007576 /nfs/dbraw/zinc/00/75/76/511007576.db2.gz RKVWWGHYAOCUHN-GFCCVEGCSA-N 1 0 355.276 2.670 20 10 FFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297613979 511009870 /nfs/dbraw/zinc/00/98/70/511009870.db2.gz IRJWXFODGXJWTG-SJLPKXTDSA-N 1 0 352.482 2.575 20 10 FFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000278872505 511012033 /nfs/dbraw/zinc/01/20/33/511012033.db2.gz RZFMOTYAJJIOHL-LJHODMEESA-N 1 0 352.450 2.507 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000288398203 511074346 /nfs/dbraw/zinc/07/43/46/511074346.db2.gz HQSVCFSKSVZBOC-OAHLLOKOSA-N 1 0 358.438 2.891 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000294718245 511153198 /nfs/dbraw/zinc/15/31/98/511153198.db2.gz FHBBYMXRICDUMF-UHFFFAOYSA-N 1 0 359.426 2.611 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000283012244 511200014 /nfs/dbraw/zinc/20/00/14/511200014.db2.gz OVNYBFMCXNJZLW-QGZVFWFLSA-N 1 0 370.449 2.560 20 10 FFCDRO COC[C@]1(C[NH2+]Cc2cc(OC)c(OC)cc2O)OCCc2ccccc21 ZINC000291451486 511203158 /nfs/dbraw/zinc/20/31/58/511203158.db2.gz COAKGNOVPAUYGG-NRFANRHFSA-N 1 0 373.449 2.614 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000333361109 511217788 /nfs/dbraw/zinc/21/77/88/511217788.db2.gz SWHZBROXMQNYPF-UHFFFAOYSA-N 1 0 352.438 2.829 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295110888 511285977 /nfs/dbraw/zinc/28/59/77/511285977.db2.gz WCQOMIBPPWQAOT-IBGZPJMESA-N 1 0 371.481 2.921 20 10 FFCDRO COC1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOCC1 ZINC000365474524 511471202 /nfs/dbraw/zinc/47/12/02/511471202.db2.gz MZPZYOTVVOAOGY-QGZVFWFLSA-N 1 0 368.905 2.795 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCN(C)CC2)c(C(F)(F)F)c1 ZINC000280626830 511538654 /nfs/dbraw/zinc/53/86/54/511538654.db2.gz QTBLDBYJFRZBBA-UHFFFAOYSA-N 1 0 359.436 2.660 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@]4(CCOC4)C3)cc2)CC1 ZINC000295983037 511578707 /nfs/dbraw/zinc/57/87/07/511578707.db2.gz LIUVYXQIYYBUIO-DYESRHJHSA-N 1 0 360.498 2.682 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCN[C@@H](C)c3cc(C)on3)CC2)cc1 ZINC000284285520 511668971 /nfs/dbraw/zinc/66/89/71/511668971.db2.gz XPEXVFIVDXZBNI-KRWDZBQOSA-N 1 0 358.486 2.855 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296325219 511699921 /nfs/dbraw/zinc/69/99/21/511699921.db2.gz FZUBXEZNOPGDBD-AEFFLSMTSA-N 1 0 352.434 2.649 20 10 FFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000281217793 511762840 /nfs/dbraw/zinc/76/28/40/511762840.db2.gz TVNDHZDMXHYYFG-NVXWUHKLSA-N 1 0 363.477 2.571 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000292899510 511763614 /nfs/dbraw/zinc/76/36/14/511763614.db2.gz ZSTXFFRBDMSBMQ-GFCCVEGCSA-N 1 0 364.433 2.638 20 10 FFCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296616470 511820380 /nfs/dbraw/zinc/82/03/80/511820380.db2.gz YVVWDTQZQUFNKV-HNNXBMFYSA-N 1 0 352.500 2.562 20 10 FFCDRO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274760508 511933354 /nfs/dbraw/zinc/93/33/54/511933354.db2.gz JZLGBJWKBALNIA-UONOGXRCSA-N 1 0 354.248 2.663 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cc(Cl)ccc1O ZINC000284944229 511940097 /nfs/dbraw/zinc/94/00/97/511940097.db2.gz VPIGGPVHXBLGDJ-YRILPIOLSA-N 1 0 362.861 2.792 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncoc3C3CC3)cc2F)CC1 ZINC000293507031 511989760 /nfs/dbraw/zinc/98/97/60/511989760.db2.gz VFQYWWXUFGLCRI-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1OC ZINC000285170812 512024868 /nfs/dbraw/zinc/02/48/68/512024868.db2.gz PRMYAIPCNYGYPU-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1O ZINC000368325381 512900678 /nfs/dbraw/zinc/90/06/78/512900678.db2.gz ZZDRVTFBXZOEEK-YUTCNCBUSA-N 1 0 355.276 2.669 20 10 FFCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC(O)CC1 ZINC000377068476 513106901 /nfs/dbraw/zinc/10/69/01/513106901.db2.gz RRAITPBJFFDIKV-PWZRNIHTSA-N 1 0 366.889 2.677 20 10 FFCDRO COC[C@@H](C)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435520920 513609981 /nfs/dbraw/zinc/60/99/81/513609981.db2.gz UIMZBNSQMUDAHG-MRXNPFEDSA-N 1 0 357.498 2.901 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C)COC2)C1 ZINC000435853376 513698905 /nfs/dbraw/zinc/69/89/05/513698905.db2.gz CDEMJYGFOZOUIM-UHFFFAOYSA-N 1 0 355.482 2.561 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2=CCOCC2)C1 ZINC000452410935 514342825 /nfs/dbraw/zinc/34/28/25/514342825.db2.gz RAMYIROVZLDELX-UHFFFAOYSA-N 1 0 367.493 2.871 20 10 FFCDRO CC1(N2CCOCC2)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000529664005 517270138 /nfs/dbraw/zinc/27/01/38/517270138.db2.gz GWICCUGZQBSFNJ-UHFFFAOYSA-N 1 0 369.303 2.841 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820431857 606412956 /nfs/dbraw/zinc/41/29/56/606412956.db2.gz IYIOHPLWLJNGNT-CYBMUJFWSA-N 1 0 370.482 2.616 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO1 ZINC000823732250 606752032 /nfs/dbraw/zinc/75/20/32/606752032.db2.gz JPMYORLITVCHPO-SFHVURJKSA-N 1 0 365.437 2.754 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@@H]1CCCO1 ZINC000826511122 608498958 /nfs/dbraw/zinc/49/89/58/608498958.db2.gz CQJZWJUIGQDHJS-HNNXBMFYSA-N 1 0 371.466 2.815 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000154678905 728810069 /nfs/dbraw/zinc/81/00/69/728810069.db2.gz XIJQBBQQARRHOG-UHFFFAOYSA-N 1 0 354.545 2.895 20 10 FFCDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC000898001682 735302166 /nfs/dbraw/zinc/30/21/66/735302166.db2.gz QLMGFLOFJVXTOJ-RTBURBONSA-N 1 0 352.450 2.684 20 10 FFCDRO CCc1onc(C)c1/C=C1/SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000899260831 735467564 /nfs/dbraw/zinc/46/75/64/735467564.db2.gz RSYRJVCYKZDUML-NTEUORMPSA-N 1 0 351.497 2.841 20 10 FFCDRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000092615721 728469479 /nfs/dbraw/zinc/46/94/79/728469479.db2.gz HDSVRPMKQNLVID-UHFFFAOYSA-N 1 0 374.312 2.589 20 10 FFCDRO C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000109771374 728529043 /nfs/dbraw/zinc/52/90/43/728529043.db2.gz SIDBTLUXTTTZPQ-UHFFFAOYSA-N 1 0 350.365 2.742 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000122743482 728651194 /nfs/dbraw/zinc/65/11/94/728651194.db2.gz MVGKIGWWRSQZTB-HNNXBMFYSA-N 1 0 361.511 2.820 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(F)c1 ZINC000134270086 728729454 /nfs/dbraw/zinc/72/94/54/728729454.db2.gz JLICJTVPMNVZCR-INIZCTEOSA-N 1 0 363.820 2.974 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000151452167 728745536 /nfs/dbraw/zinc/74/55/36/728745536.db2.gz SFHUBLFGAWVWGG-VQIMIIECSA-N 1 0 366.502 2.807 20 10 FFCDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000180788239 729224351 /nfs/dbraw/zinc/22/43/51/729224351.db2.gz NGBKZVIIPXARGW-AWEZNQCLSA-N 1 0 374.275 2.791 20 10 FFCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1c(O)cccc1Br ZINC000858143780 730417774 /nfs/dbraw/zinc/41/77/74/730417774.db2.gz VWSOZMMPUTVSSN-UHFFFAOYSA-N 1 0 367.243 2.966 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)[C@H]1n1cccn1 ZINC000858170202 730418506 /nfs/dbraw/zinc/41/85/06/730418506.db2.gz HPUQJQZZVBWPHG-FVQBIDKESA-N 1 0 366.259 2.860 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c2c1c(F)ccc2O ZINC000858499125 730427367 /nfs/dbraw/zinc/42/73/67/730427367.db2.gz YJJXIYRJQWNEJB-IGHBBLSQSA-N 1 0 356.463 2.530 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)cc1 ZINC000779609822 738472239 /nfs/dbraw/zinc/47/22/39/738472239.db2.gz VMAGTFICZHZSHI-LJQANCHMSA-N 1 0 367.559 2.827 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861686325 730634429 /nfs/dbraw/zinc/63/44/29/730634429.db2.gz NZTCQRVRWGKUOE-FZMZJTMJSA-N 1 0 370.291 2.827 20 10 FFCDRO O=C([C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1)N1CCCC1 ZINC000862369875 730693156 /nfs/dbraw/zinc/69/31/56/730693156.db2.gz YISJXLKQVWZGFR-LBPRGKRZSA-N 1 0 353.260 2.599 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](O)C(F)(F)F ZINC000866463592 731063206 /nfs/dbraw/zinc/06/32/06/731063206.db2.gz BXKMNTZIDAIAQG-RWSFTLGLSA-N 1 0 350.356 2.625 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc(F)ccc1O ZINC000866492481 731066633 /nfs/dbraw/zinc/06/66/33/731066633.db2.gz HPVSOYXHAHEATJ-HZUKXOBISA-N 1 0 354.422 2.552 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccccc1O ZINC000866493514 731066862 /nfs/dbraw/zinc/06/68/62/731066862.db2.gz VYLIZBODKOEYFR-ZOBUZTSGSA-N 1 0 350.459 2.803 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccccc1O ZINC000866493512 731066924 /nfs/dbraw/zinc/06/69/24/731066924.db2.gz VYLIZBODKOEYFR-YQQAZPJKSA-N 1 0 350.459 2.803 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2c(I)cnn2C)c(O)c1 ZINC000866631071 731081961 /nfs/dbraw/zinc/08/19/61/731081961.db2.gz DHHSFLDUWATKLX-SNVBAGLBSA-N 1 0 371.222 2.890 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000775646675 738109159 /nfs/dbraw/zinc/10/91/59/738109159.db2.gz MYWOWVDSOIVYEB-INIZCTEOSA-N 1 0 369.303 2.760 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2c(I)cnn2C)c1O ZINC000877775294 732427566 /nfs/dbraw/zinc/42/75/66/732427566.db2.gz SAIGDFDPCAPZSF-UHFFFAOYSA-N 1 0 371.222 2.583 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CCNC3=O)CC2)c1O ZINC000877782604 732430055 /nfs/dbraw/zinc/43/00/55/732430055.db2.gz FVLYIIJRFBQLTP-UHFFFAOYSA-N 1 0 353.260 2.565 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)c(F)cc1[O-] ZINC000926946992 738671795 /nfs/dbraw/zinc/67/17/95/738671795.db2.gz HQUQAKMSVDJPPV-FHTCGPRVSA-N 1 0 360.223 2.748 20 10 FFCDRO CCO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000926965375 738675270 /nfs/dbraw/zinc/67/52/70/738675270.db2.gz QJWSIONIOVMTSX-WBVHZDCISA-N 1 0 369.937 2.794 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c4c(nn3C)CCSC4)C2)cc1 ZINC000883165284 733345150 /nfs/dbraw/zinc/34/51/50/733345150.db2.gz BALUFCQRDDNVFQ-CQSZACIVSA-N 1 0 358.511 2.587 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC2)cc1 ZINC000883360059 733373177 /nfs/dbraw/zinc/37/31/77/733373177.db2.gz SZWJZGWOAQHREQ-AWEZNQCLSA-N 1 0 368.346 2.812 20 10 FFCDRO Cc1csc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891249081 734404654 /nfs/dbraw/zinc/40/46/54/734404654.db2.gz PGMAQOFRAMMLJO-QGZVFWFLSA-N 1 0 360.527 2.869 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891675030 734460313 /nfs/dbraw/zinc/46/03/13/734460313.db2.gz WUBLEADIJAIBFJ-MRXNPFEDSA-N 1 0 354.545 2.801 20 10 FFCDRO Cc1nc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891687628 734461797 /nfs/dbraw/zinc/46/17/97/734461797.db2.gz ZKENPQWVBOTYFW-KRWDZBQOSA-N 1 0 361.515 2.620 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC[C@@H](O)C(F)(F)F)c2cc(F)ccc2n1C ZINC000894769364 734914288 /nfs/dbraw/zinc/91/42/88/734914288.db2.gz FHJMVDHTZRIRRM-CYBMUJFWSA-N 1 0 362.323 2.507 20 10 FFCDRO Cc1[nH+]c2cc(NCc3cccc(Cl)c3O)ccc2n1C(CO)CO ZINC000894927635 734937818 /nfs/dbraw/zinc/93/78/18/734937818.db2.gz WCISZYNCUKPQNS-UHFFFAOYSA-N 1 0 361.829 2.842 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000897176442 735202008 /nfs/dbraw/zinc/20/20/08/735202008.db2.gz WLNBXZTTWSBJBB-OAHLLOKOSA-N 1 0 355.862 2.808 20 10 FFCDRO COc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)c(O)c1OC ZINC000897420538 735232644 /nfs/dbraw/zinc/23/26/44/735232644.db2.gz AZLKFPAJPLJIJO-UHFFFAOYSA-N 1 0 352.431 2.556 20 10 FFCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370900 735234583 /nfs/dbraw/zinc/23/45/83/735234583.db2.gz ULXINOZROJFZHV-WMZOPIPTSA-N 1 0 350.528 2.980 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000897526308 735243212 /nfs/dbraw/zinc/24/32/12/735243212.db2.gz ZFBVLTFMVVQEBW-IBGZPJMESA-N 1 0 361.511 2.871 20 10 FFCDRO CCn1cc(NC(=S)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000899723878 735547886 /nfs/dbraw/zinc/54/78/86/735547886.db2.gz FMSRUHNXWROMOH-QGZVFWFLSA-N 1 0 360.531 2.558 20 10 FFCDRO CC1(C)CC[N@H+](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000900156439 735607169 /nfs/dbraw/zinc/60/71/69/735607169.db2.gz XHLKCEOSSWWCMX-UHFFFAOYSA-N 1 0 365.861 2.542 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000750817068 735817331 /nfs/dbraw/zinc/81/73/31/735817331.db2.gz IJYBTJDGJWSWKS-UHFFFAOYSA-N 1 0 350.434 2.718 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)CC1CCCC1 ZINC000789348139 739340582 /nfs/dbraw/zinc/34/05/82/739340582.db2.gz LJONLXLBYSNWMY-INIZCTEOSA-N 1 0 355.862 2.962 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1 ZINC000903172733 736047475 /nfs/dbraw/zinc/04/74/75/736047475.db2.gz CQDPTFHJWNQEHQ-OAHLLOKOSA-N 1 0 362.495 2.943 20 10 FFCDRO CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755295255 736247667 /nfs/dbraw/zinc/24/76/67/736247667.db2.gz XAOONWLUBXKXOK-IAGOWNOFSA-N 1 0 365.543 2.863 20 10 FFCDRO C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000756543695 736340485 /nfs/dbraw/zinc/34/04/85/736340485.db2.gz HTSJQWOTFWIUEO-NEPJUHHUSA-N 1 0 374.298 2.580 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756746257 736357512 /nfs/dbraw/zinc/35/75/12/736357512.db2.gz IUDZFPWXPBMEQS-NHYWBVRUSA-N 1 0 368.474 2.626 20 10 FFCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000760698578 736661734 /nfs/dbraw/zinc/66/17/34/736661734.db2.gz LPCSSKKZPLGJNH-LFPIHBKWSA-N 1 0 353.488 2.832 20 10 FFCDRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCCCC2)cc1 ZINC000760806772 736669680 /nfs/dbraw/zinc/66/96/80/736669680.db2.gz DEJRQGUPEBMGGS-SFHVURJKSA-N 1 0 350.528 2.934 20 10 FFCDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760890652 736677933 /nfs/dbraw/zinc/67/79/33/736677933.db2.gz XZFUOPFAKNNGPG-POZUXBRTSA-N 1 0 352.450 2.507 20 10 FFCDRO CC(C)[NH+](CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C(C)C ZINC000760929944 736680658 /nfs/dbraw/zinc/68/06/58/736680658.db2.gz QKJZAJCJVTXYGV-UHFFFAOYSA-N 1 0 367.877 2.929 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761316952 736721751 /nfs/dbraw/zinc/72/17/51/736721751.db2.gz FGQQHXMWZMFOGT-CABCVRRESA-N 1 0 365.861 2.683 20 10 FFCDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000764639914 737037439 /nfs/dbraw/zinc/03/74/39/737037439.db2.gz TZXXHHNUEKHORZ-CQSZACIVSA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@@H](CNC(=O)NCc1cccc(Br)c1O)[NH+]1CCCCC1 ZINC000764790958 737050193 /nfs/dbraw/zinc/05/01/93/737050193.db2.gz LCCQSKZLAYZGGL-LBPRGKRZSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765287160 737105058 /nfs/dbraw/zinc/10/50/58/737105058.db2.gz SEYOXYOYRVQMMY-CABCVRRESA-N 1 0 365.905 2.838 20 10 FFCDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981517 737180331 /nfs/dbraw/zinc/18/03/31/737180331.db2.gz WAQFCAPVYZAUFA-GOSISDBHSA-N 1 0 350.528 2.980 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000912109624 737266085 /nfs/dbraw/zinc/26/60/85/737266085.db2.gz IJECOVCLBHEOGQ-OAHLLOKOSA-N 1 0 357.420 2.985 20 10 FFCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(O)c1 ZINC000768197512 737406264 /nfs/dbraw/zinc/40/62/64/737406264.db2.gz JROYDMAXAHWYRG-CYBMUJFWSA-N 1 0 364.467 2.631 20 10 FFCDRO CCCCNC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768296531 737412667 /nfs/dbraw/zinc/41/26/67/737412667.db2.gz PVKTYNKMXIKOIU-UHFFFAOYSA-N 1 0 360.571 2.983 20 10 FFCDRO CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054981 737689787 /nfs/dbraw/zinc/68/97/87/737689787.db2.gz ASGXYEDUFBCOGD-BFYDXBDKSA-N 1 0 352.862 2.551 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCSC1 ZINC000771066175 737691382 /nfs/dbraw/zinc/69/13/82/737691382.db2.gz OWKAXOGDWBKHNG-SWLSCSKDSA-N 1 0 354.903 2.879 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3Nc4cc(Cl)ccc4C(=O)N3)cc2)CC1 ZINC000771520629 737732158 /nfs/dbraw/zinc/73/21/58/737732158.db2.gz LIXHSAXWDGWDNY-SFHVURJKSA-N 1 0 356.857 2.946 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772957740 737859224 /nfs/dbraw/zinc/85/92/24/737859224.db2.gz GREBHDDRMSETTQ-CQSZACIVSA-N 1 0 351.466 2.618 20 10 FFCDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773013327 737863498 /nfs/dbraw/zinc/86/34/98/737863498.db2.gz YGQQEXZKOWJKQL-CQSZACIVSA-N 1 0 363.893 2.681 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CSCC=C(C)C)CC2)cc1 ZINC000773566926 737920691 /nfs/dbraw/zinc/92/06/91/737920691.db2.gz VOZHDHFRQAZICY-SFHVURJKSA-N 1 0 350.528 2.878 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921586009 738008589 /nfs/dbraw/zinc/00/85/89/738008589.db2.gz VHDVNZBCJDCTHR-AWEZNQCLSA-N 1 0 360.479 2.771 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1cc(Br)ccc1O ZINC000775503135 738097781 /nfs/dbraw/zinc/09/77/81/738097781.db2.gz BYSHFGOWZBXBBK-ZFWWWQNUSA-N 1 0 357.292 2.916 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1O ZINC000775525226 738099456 /nfs/dbraw/zinc/09/94/56/738099456.db2.gz FDVSZXSQYDDQLC-OCCSQVGLSA-N 1 0 350.850 2.839 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929755591 739018715 /nfs/dbraw/zinc/01/87/15/739018715.db2.gz PWIYRFYUYVSYPT-NOLJZWGESA-N 1 0 356.260 2.781 20 10 FFCDRO CCn1cccc(C[NH2+]Cc2cc(Br)cc(C)c2O)c1=O ZINC000789757684 739385411 /nfs/dbraw/zinc/38/54/11/739385411.db2.gz OZYNKJGFUDMTTQ-UHFFFAOYSA-N 1 0 351.244 2.935 20 10 FFCDRO C[C@H]1OCC[C@]12CN(Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932274 739515613 /nfs/dbraw/zinc/51/56/13/739515613.db2.gz NFIJIWYVKZLOJY-HSMVNMDESA-N 1 0 356.260 2.923 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)N1CCOCC1 ZINC000792976853 739725586 /nfs/dbraw/zinc/72/55/86/739725586.db2.gz SCETVBLOHLCOLI-ZIAGYGMSSA-N 1 0 359.436 2.970 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)s1 ZINC000796530424 740150221 /nfs/dbraw/zinc/15/02/21/740150221.db2.gz KFYIKPXYXSTPTB-WDEREUQCSA-N 1 0 364.471 2.568 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000797117246 740213664 /nfs/dbraw/zinc/21/36/64/740213664.db2.gz LYGKLZGMYWJHEY-MSOLQXFVSA-N 1 0 353.532 2.607 20 10 FFCDRO CN(CC[NH2+]Cc1cc(Cl)ccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000797879937 740283621 /nfs/dbraw/zinc/28/36/21/740283621.db2.gz QBQPHKLEZWDEJG-UHFFFAOYSA-N 1 0 372.849 2.595 20 10 FFCDRO COc1cc(N2CC[NH+](CCSC(C)C)CC2)cc(OC)c1OC ZINC000801541114 740628844 /nfs/dbraw/zinc/62/88/44/740628844.db2.gz KSHIXEHFBPGHLS-UHFFFAOYSA-N 1 0 354.516 2.976 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c1O ZINC000809743537 741339560 /nfs/dbraw/zinc/33/95/60/741339560.db2.gz USOVOWRUVUFZCU-SNVBAGLBSA-N 1 0 358.154 2.566 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)ccc2O)cc1O ZINC000809748532 741339613 /nfs/dbraw/zinc/33/96/13/741339613.db2.gz UMTOPXURZMBXEZ-CYBMUJFWSA-N 1 0 351.830 2.701 20 10 FFCDRO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000809980867 741369258 /nfs/dbraw/zinc/36/92/58/741369258.db2.gz VCQPOZGPOFCBNR-KUHUBIRLSA-N 1 0 351.491 2.679 20 10 FFCDRO COc1ccncc1C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000814297904 741810258 /nfs/dbraw/zinc/81/02/58/741810258.db2.gz AYJFHLSDBNAXIM-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO Oc1c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)ccc2ccccc21 ZINC000816608518 742046612 /nfs/dbraw/zinc/04/66/12/742046612.db2.gz BICWVRZPSVYAEC-MRXNPFEDSA-N 1 0 354.372 2.898 20 10 FFCDRO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817965176 742224959 /nfs/dbraw/zinc/22/49/59/742224959.db2.gz NMGQOQTZHVLBIV-SSDOTTSWSA-N 1 0 364.081 2.787 20 10 FFCDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971293 742225661 /nfs/dbraw/zinc/22/56/61/742225661.db2.gz CAKMSAQUAVFENF-RNFRBKRXSA-N 1 0 352.070 2.915 20 10 FFCDRO Cc1cc(NC(=O)CC[NH2+]Cc2ccc(N3CCSCC3)cc2)no1 ZINC000818964373 742316276 /nfs/dbraw/zinc/31/62/76/742316276.db2.gz UBSIQAVUEHTRCG-UHFFFAOYSA-N 1 0 360.483 2.655 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000820886480 742563394 /nfs/dbraw/zinc/56/33/94/742563394.db2.gz QEJDHODQBGDEFR-GFCCVEGCSA-N 1 0 355.276 2.845 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1(C[NH+](C)C)CC1 ZINC000820887105 742563917 /nfs/dbraw/zinc/56/39/17/742563917.db2.gz YAHJLGKVWFJPEF-UHFFFAOYSA-N 1 0 355.276 2.845 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000824161177 743030007 /nfs/dbraw/zinc/03/00/07/743030007.db2.gz KVQSYYNDYBSDLR-IBGZPJMESA-N 1 0 357.523 2.901 20 10 FFCDRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c2ccccc21 ZINC000824516625 743098170 /nfs/dbraw/zinc/09/81/70/743098170.db2.gz MSRRTJYMIRSRDV-LLVKDONJSA-N 1 0 355.818 2.845 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)c(C(F)(F)F)c1 ZINC000824564322 743106418 /nfs/dbraw/zinc/10/64/18/743106418.db2.gz IVKPXVBQMYJQTN-MRXNPFEDSA-N 1 0 359.436 2.708 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)c(C(F)(F)F)c1 ZINC000824582986 743111252 /nfs/dbraw/zinc/11/12/52/743111252.db2.gz GNGXQPZDBCZUIQ-MRXNPFEDSA-N 1 0 359.436 2.708 20 10 FFCDRO Cc1cc(O)c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000824726527 743136557 /nfs/dbraw/zinc/13/65/57/743136557.db2.gz VRBLDYREAGZFHK-KRWDZBQOSA-N 1 0 351.922 2.956 20 10 FFCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824767966 743144466 /nfs/dbraw/zinc/14/44/66/743144466.db2.gz CNRFSNBNZHQOPQ-CQSZACIVSA-N 1 0 353.260 2.742 20 10 FFCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825024896 743197350 /nfs/dbraw/zinc/19/73/50/743197350.db2.gz WHMXRRPHXRWTRU-GOSISDBHSA-N 1 0 361.463 2.638 20 10 FFCDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825038319 743199436 /nfs/dbraw/zinc/19/94/36/743199436.db2.gz XZDMEBQINCDBHK-OAHLLOKOSA-N 1 0 357.292 2.601 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825291475 743243176 /nfs/dbraw/zinc/24/31/76/743243176.db2.gz LNUMZAUPQAEOJG-FZMZJTMJSA-N 1 0 355.276 2.891 20 10 FFCDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000825629498 743303468 /nfs/dbraw/zinc/30/34/68/743303468.db2.gz XWGLZIOHKQUZFV-ZBFHGGJFSA-N 1 0 358.276 2.810 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826130437 743369772 /nfs/dbraw/zinc/36/97/72/743369772.db2.gz IAPSZLACAVRPJW-GJZGRUSLSA-N 1 0 350.503 2.585 20 10 FFCDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000827555218 743600195 /nfs/dbraw/zinc/60/01/95/743600195.db2.gz PZGBXVUORRRFML-NSHDSACASA-N 1 0 355.276 2.891 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000827775857 744975564 /nfs/dbraw/zinc/97/55/64/744975564.db2.gz JMMPBVZBCZQCMR-ZIAGYGMSSA-N 1 0 354.422 2.838 20 10 FFCDRO C[N@H+](CCNC(=O)c1csc(Cc2ccc(N)cc2)n1)C1CCCC1 ZINC000828767664 745113536 /nfs/dbraw/zinc/11/35/36/745113536.db2.gz VWRGHJWQHSCOSL-UHFFFAOYSA-N 1 0 358.511 2.920 20 10 FFCDRO [NH3+][C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000830665502 745401294 /nfs/dbraw/zinc/40/12/94/745401294.db2.gz YIMHIEVDUPEYNN-CZUORRHYSA-N 1 0 353.413 2.500 20 10 FFCDRO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300227 745674736 /nfs/dbraw/zinc/67/47/36/745674736.db2.gz PBLNCERDPQGTRG-SUMWQHHRSA-N 1 0 361.873 2.990 20 10 FFCDRO CC[N@H+](CCC(=O)N1CCCC1)Cc1cc(Br)ccc1O ZINC000838859505 746724029 /nfs/dbraw/zinc/72/40/29/746724029.db2.gz KFJMSPUAKTZIOJ-UHFFFAOYSA-N 1 0 355.276 2.989 20 10 FFCDRO C[C@H](CCn1cccn1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145644 746787570 /nfs/dbraw/zinc/78/75/70/746787570.db2.gz RVOVYUDLCRLFDG-CQSZACIVSA-N 1 0 350.413 2.566 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840916639 747224056 /nfs/dbraw/zinc/22/40/56/747224056.db2.gz AGYPLFGIUOZUFU-UHFFFAOYSA-N 1 0 360.907 2.600 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744260 747446695 /nfs/dbraw/zinc/44/66/95/747446695.db2.gz GOPGIIKMMMIOFG-GFCCVEGCSA-N 1 0 368.886 2.946 20 10 FFCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843453014 747838809 /nfs/dbraw/zinc/83/88/09/747838809.db2.gz ZDTLDLMONFMQNL-UHFFFAOYSA-N 1 0 365.275 2.543 20 10 FFCDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845938032 748356939 /nfs/dbraw/zinc/35/69/39/748356939.db2.gz TZECHVCDLUMTCH-VQIMIIECSA-N 1 0 350.528 2.980 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846143594 748414446 /nfs/dbraw/zinc/41/44/46/748414446.db2.gz JRXGDHJQVOPLIU-STQMWFEESA-N 1 0 364.467 2.721 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1O ZINC000846164124 748418528 /nfs/dbraw/zinc/41/85/28/748418528.db2.gz FOLPVYNHRKHWFG-ZDUSSCGKSA-N 1 0 370.515 2.644 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000846168535 748419269 /nfs/dbraw/zinc/41/92/69/748419269.db2.gz AINRNAPMZNJSDM-LLVKDONJSA-N 1 0 367.243 2.676 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000848525705 748949045 /nfs/dbraw/zinc/94/90/45/748949045.db2.gz SLKOEWUIDMUICP-VXGBXAGGSA-N 1 0 373.291 2.535 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848562476 748961241 /nfs/dbraw/zinc/96/12/41/748961241.db2.gz DQFLJXXHPHCEHN-WCQYABFASA-N 1 0 365.275 2.881 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1O ZINC000848911593 749033202 /nfs/dbraw/zinc/03/32/02/749033202.db2.gz HINUUZOVKXJYHR-KRWDZBQOSA-N 1 0 360.479 2.507 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H]2CCCN2CCCO)c(O)c(C(C)(C)C)c1 ZINC000850313186 749339788 /nfs/dbraw/zinc/33/97/88/749339788.db2.gz RHDGFFUZQJPDEI-INIZCTEOSA-N 1 0 350.503 2.635 20 10 FFCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356361 749350977 /nfs/dbraw/zinc/35/09/77/749350977.db2.gz RPLBZBHVWQGQFN-FUHWJXTLSA-N 1 0 350.528 2.837 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000852899636 749971188 /nfs/dbraw/zinc/97/11/88/749971188.db2.gz AYWUJDSEEHTKHS-MAUKXSAKSA-N 1 0 359.857 2.744 20 10 FFCDRO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1O ZINC000389894016 845840153 /nfs/dbraw/zinc/84/01/53/845840153.db2.gz LITHCWKZFIVYPZ-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000397439493 845867666 /nfs/dbraw/zinc/86/76/66/845867666.db2.gz QSTBAPAUXADVTK-GJZGRUSLSA-N 1 0 350.459 2.987 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000895649719 970805498 /nfs/dbraw/zinc/80/54/98/970805498.db2.gz CDTUEWJCQCPYFY-ZWKOTPCHSA-N 1 0 374.529 2.647 20 10 FFCDRO CN1CCC[C@H]1c1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[nH]n1 ZINC000895710236 970871872 /nfs/dbraw/zinc/87/18/72/970871872.db2.gz IPANTIXSISKOLC-IBGZPJMESA-N 1 0 353.470 2.707 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000840301237 971020358 /nfs/dbraw/zinc/02/03/58/971020358.db2.gz DKULRSMRIOQHEB-LPHOPBHVSA-N 1 0 358.530 2.776 20 10 FFCDRO CCOCCN1CC[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001275836894 1013057479 /nfs/dbraw/zinc/05/74/79/1013057479.db2.gz IQKHERKXZDXBMI-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CC1(C)C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000840335692 971090877 /nfs/dbraw/zinc/09/08/77/971090877.db2.gz RKIGMOXSCFQHOC-IBGZPJMESA-N 1 0 356.514 2.816 20 10 FFCDRO COc1ccc(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)c(O)c1OC ZINC000895939247 971098360 /nfs/dbraw/zinc/09/83/60/971098360.db2.gz KZWPIJYXNOLLIC-UHFFFAOYSA-N 1 0 356.422 2.926 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CCC3(COC3)CC2)[NH+](C)C)cc1 ZINC000896477110 971512421 /nfs/dbraw/zinc/51/24/21/971512421.db2.gz XKDMWDJHKSNSEI-LJQANCHMSA-N 1 0 374.529 2.614 20 10 FFCDRO COc1ccc([C@H](O)C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000873010888 1013345614 /nfs/dbraw/zinc/34/56/14/1013345614.db2.gz OQFIJNZNEFGJIT-HXUWFJFHSA-N 1 0 367.449 2.772 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nncc3ccccc32)[NH+](C)C)cc1 ZINC000891243996 962544442 /nfs/dbraw/zinc/54/44/42/962544442.db2.gz XHVARQVHWJTWLN-IBGZPJMESA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000891246734 962564473 /nfs/dbraw/zinc/56/44/73/962564473.db2.gz CMORWTQESWIFIQ-PMACEKPBSA-N 1 0 365.477 2.842 20 10 FFCDRO C/C(=C/c1cccnc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248533 962577726 /nfs/dbraw/zinc/57/77/26/962577726.db2.gz YFMSRDWSWCTWDP-QTXHJTIISA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c(C3CCC3)cnn2C)[NH+](C)C)cc1 ZINC000891248155 962579205 /nfs/dbraw/zinc/57/92/05/962579205.db2.gz WDYZYGNWMNSLSL-LJQANCHMSA-N 1 0 369.513 2.786 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C(C)C ZINC000891247777 962579234 /nfs/dbraw/zinc/57/92/34/962579234.db2.gz KHRUWSWXQDZBIW-LJQANCHMSA-N 1 0 357.502 2.871 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C2CCOCC2)[NH+](C)C)cc1 ZINC000891248765 962589427 /nfs/dbraw/zinc/58/94/27/962589427.db2.gz NVBOFXBNSMUDJJ-IBGZPJMESA-N 1 0 361.530 2.924 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000891250281 962596489 /nfs/dbraw/zinc/59/64/89/962596489.db2.gz WGINDXPBUNFRRO-XUVXKRRUSA-N 1 0 352.482 2.670 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1C ZINC000873069584 1013372688 /nfs/dbraw/zinc/37/26/88/1013372688.db2.gz LYSPQUPVPQYXRA-OXJNMPFZSA-N 1 0 359.470 2.594 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4cccnc4)nn3)cc2)CC1 ZINC001167426989 963028902 /nfs/dbraw/zinc/02/89/02/963028902.db2.gz SIHACBRCUUWOON-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276084829 1013429056 /nfs/dbraw/zinc/42/90/56/1013429056.db2.gz CIUWLJJXLILDPZ-IBGZPJMESA-N 1 0 350.434 2.525 20 10 FFCDRO C[C@@H](NC(=O)NC1(C[NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000891440053 964051792 /nfs/dbraw/zinc/05/17/92/964051792.db2.gz DHLGEZZRUVKJLY-MRXNPFEDSA-N 1 0 360.502 2.545 20 10 FFCDRO C[C@@H](NC(=O)N1CC[NH2+]CCC12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000891440926 964065542 /nfs/dbraw/zinc/06/55/42/964065542.db2.gz KWQVAFWHNUURLK-QGZVFWFLSA-N 1 0 372.513 2.512 20 10 FFCDRO CCCC[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000051180064 964283282 /nfs/dbraw/zinc/28/32/82/964283282.db2.gz JIHMTUAXBDOXCK-HZPDHXFCSA-N 1 0 365.493 2.787 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@](C)(O)c2ccco2)c2cc(F)ccc2n1C ZINC000894315802 964671923 /nfs/dbraw/zinc/67/19/23/964671923.db2.gz MTUUFTKKECBSBY-LJQANCHMSA-N 1 0 360.385 2.694 20 10 FFCDRO CCNC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC000091974680 965355901 /nfs/dbraw/zinc/35/59/01/965355901.db2.gz WQYRZESNZZBWGO-UHFFFAOYSA-N 1 0 358.438 2.548 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000894552668 965473808 /nfs/dbraw/zinc/47/38/08/965473808.db2.gz FGTVWXAVBLPSKV-QGZVFWFLSA-N 1 0 358.413 2.739 20 10 FFCDRO C[C@@H]1[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[N@@H+]1C ZINC000825688875 1013585630 /nfs/dbraw/zinc/58/56/30/1013585630.db2.gz ZKRKHGRCXSUILZ-CXAGYDPISA-N 1 0 367.440 2.713 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c1O ZINC000894784399 965694059 /nfs/dbraw/zinc/69/40/59/965694059.db2.gz JQBDGQZGDDVDBX-HNNXBMFYSA-N 1 0 358.438 2.809 20 10 FFCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(OC)c(OC)c2O)c1 ZINC000894787319 965694960 /nfs/dbraw/zinc/69/49/60/965694960.db2.gz VXLJWZXBZLLCPT-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)CC[C@@H]2CO)C1 ZINC001176038661 1013616432 /nfs/dbraw/zinc/61/64/32/1013616432.db2.gz SQJQJHIVOMIQOG-IAGOWNOFSA-N 1 0 369.509 2.780 20 10 FFCDRO c1cnc2c(c1)N1CCC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000934495548 966568686 /nfs/dbraw/zinc/56/86/86/966568686.db2.gz YOWPEMAOEVSQRH-FQEVSTJZSA-N 1 0 364.493 2.903 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]2C)cc1C ZINC001104472719 967592539 /nfs/dbraw/zinc/59/25/39/967592539.db2.gz BKBQKPNOVXKRGA-CRAIPNDOSA-N 1 0 370.497 2.923 20 10 FFCDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892419949 968467570 /nfs/dbraw/zinc/46/75/70/968467570.db2.gz KEUNOFIKKLOBAL-UHFFFAOYSA-N 1 0 363.410 2.725 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001024169250 968791222 /nfs/dbraw/zinc/79/12/22/968791222.db2.gz LHMGOUUXAVLYTN-YVWKXTFCSA-N 1 0 360.498 2.899 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000177267405 969152401 /nfs/dbraw/zinc/15/24/01/969152401.db2.gz XXUZRQSBVNDDFL-IYOUNJFTSA-N 1 0 364.461 2.808 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000177869803 969366100 /nfs/dbraw/zinc/36/61/00/969366100.db2.gz RGYZHCHSBPDYDL-QGZVFWFLSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)c(O)c1OC ZINC000892664679 969733697 /nfs/dbraw/zinc/73/36/97/969733697.db2.gz AGVGNXGGYVIEFO-UHFFFAOYSA-N 1 0 358.394 2.656 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000164200092 969742222 /nfs/dbraw/zinc/74/22/22/969742222.db2.gz TTXKFOZKLJESLX-NVXWUHKLSA-N 1 0 352.438 2.807 20 10 FFCDRO COc1ccc(C[NH2+]CC2(N(C)C)Cc3ccccc3C2)c(O)c1OC ZINC000893018098 970501061 /nfs/dbraw/zinc/50/10/61/970501061.db2.gz CEKGEUWTOXYQDG-UHFFFAOYSA-N 1 0 356.466 2.598 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1O ZINC000895495256 970677839 /nfs/dbraw/zinc/67/78/39/970677839.db2.gz PRHUWZVNYPCKTE-OAHLLOKOSA-N 1 0 362.376 2.883 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@H](CO)Cc2ccoc2)c2cc(F)ccc2n1C ZINC000895585184 970762048 /nfs/dbraw/zinc/76/20/48/970762048.db2.gz JQWPRNZEGDOCHL-CQSZACIVSA-N 1 0 374.412 2.638 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC001088216485 973698986 /nfs/dbraw/zinc/69/89/86/973698986.db2.gz KFFMJSOIWCLRLM-CVEARBPZSA-N 1 0 357.458 2.899 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001116040085 1032084141 /nfs/dbraw/zinc/08/41/41/1032084141.db2.gz LPDHUQAGQWLMOP-VQTJNVASSA-N 1 0 374.529 2.537 20 10 FFCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCc2ccccc21 ZINC000066906370 974777400 /nfs/dbraw/zinc/77/74/00/974777400.db2.gz WEEULJLYWGAASV-JOCHJYFZSA-N 1 0 352.478 2.837 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000653134454 1014235204 /nfs/dbraw/zinc/23/52/04/1014235204.db2.gz AQQPXVXESBVXEQ-KSSFIOAISA-N 1 0 355.482 2.643 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCCC1 ZINC000653134453 1014235580 /nfs/dbraw/zinc/23/55/80/1014235580.db2.gz AQQPXVXESBVXEQ-KDOFPFPSSA-N 1 0 355.482 2.643 20 10 FFCDRO CCCC(=O)NC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876617157 1014325305 /nfs/dbraw/zinc/32/53/05/1014325305.db2.gz GSIVMQOCBBDOAM-UHFFFAOYSA-N 1 0 359.514 2.528 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000898451735 976462265 /nfs/dbraw/zinc/46/22/65/976462265.db2.gz OUNFVCHNHWJAKT-FQEVSTJZSA-N 1 0 354.498 2.505 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)C(C)(C)C[NH+]2CCCC2)cc1 ZINC000842170682 976682134 /nfs/dbraw/zinc/68/21/34/976682134.db2.gz BFZRZVUMPDIBCW-UHFFFAOYSA-N 1 0 360.546 2.517 20 10 FFCDRO COC1(C)CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899103858 976914495 /nfs/dbraw/zinc/91/44/95/976914495.db2.gz OGVRWFBWZGVWBS-SFHVURJKSA-N 1 0 362.518 2.566 20 10 FFCDRO Cc1cccc(CN(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000899098781 976923117 /nfs/dbraw/zinc/92/31/17/976923117.db2.gz RVPOLHPVPQHPHY-FQEVSTJZSA-N 1 0 369.513 2.900 20 10 FFCDRO CN(C)c1ccc([C@H](O)c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC001211704214 977075369 /nfs/dbraw/zinc/07/53/69/977075369.db2.gz QHAGBGKHKADNPE-SFHVURJKSA-N 1 0 352.438 2.946 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1n1ccnc1 ZINC000876807983 1014399149 /nfs/dbraw/zinc/39/91/49/1014399149.db2.gz MGFINDFBTGHZNY-UTKZUKDTSA-N 1 0 354.498 2.927 20 10 FFCDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000893943337 977609047 /nfs/dbraw/zinc/60/90/47/977609047.db2.gz PZHMMRKNYCVJDU-HXUWFJFHSA-N 1 0 359.422 2.630 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c(O)c1OC ZINC000894000059 977633422 /nfs/dbraw/zinc/63/34/22/977633422.db2.gz HSBWCOVRIUYTJA-QGZVFWFLSA-N 1 0 370.449 2.609 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(O)c1 ZINC000876971584 1014436844 /nfs/dbraw/zinc/43/68/44/1014436844.db2.gz BQEISTTYEOPGNV-LJQANCHMSA-N 1 0 354.450 2.899 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCN1c1ccccc1 ZINC000877007426 1014446787 /nfs/dbraw/zinc/44/67/87/1014446787.db2.gz POGAZPZJSKRNFZ-NRFANRHFSA-N 1 0 365.477 2.543 20 10 FFCDRO CO[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000877072189 1014468001 /nfs/dbraw/zinc/46/80/01/1014468001.db2.gz XZEXWVSGJHIERE-IIDMSEBBSA-N 1 0 370.440 2.898 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)c1 ZINC000877532004 1014614546 /nfs/dbraw/zinc/61/45/46/1014614546.db2.gz BADQFGLEIYNHFF-GFCCVEGCSA-N 1 0 361.442 2.940 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(C)cc1O)Cc1ccc(OC)c(F)c1 ZINC000877603134 1014641943 /nfs/dbraw/zinc/64/19/43/1014641943.db2.gz GAIWWACZGZGBLM-MRXNPFEDSA-N 1 0 360.429 2.543 20 10 FFCDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877616636 1014647331 /nfs/dbraw/zinc/64/73/31/1014647331.db2.gz LWBPYTJVMZRHOC-FQEVSTJZSA-N 1 0 367.493 2.514 20 10 FFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000729603912 980434775 /nfs/dbraw/zinc/43/47/75/980434775.db2.gz XYTDXUKAKVAEIB-QZTJIDSGSA-N 1 0 374.529 2.615 20 10 FFCDRO Cc1cc(Cn2cc(CN3CCC([NH3+])CC3)nn2)ccc1N1CCCCC1 ZINC000905813136 980522906 /nfs/dbraw/zinc/52/29/06/980522906.db2.gz NBWVFINTRNCJHY-UHFFFAOYSA-N 1 0 368.529 2.548 20 10 FFCDRO O=C(c1ccc(O)c(O)c1O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001272043766 980579775 /nfs/dbraw/zinc/57/97/75/980579775.db2.gz KWFCYASBSQEFRH-OKILXGFUSA-N 1 0 360.454 2.530 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1C ZINC000877800301 1014733637 /nfs/dbraw/zinc/73/36/37/1014733637.db2.gz VSOHCFMYRCVOSI-NEWSRXKRSA-N 1 0 360.498 2.641 20 10 FFCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000897578687 982307994 /nfs/dbraw/zinc/30/79/94/982307994.db2.gz CCOJSXKIWIQPGL-MRXNPFEDSA-N 1 0 374.460 2.808 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccnn3[C@@H]3CCCOC3)cc2)CC1 ZINC000898095203 982608999 /nfs/dbraw/zinc/60/89/99/982608999.db2.gz MWPXLQWUVSHNLD-LJQANCHMSA-N 1 0 355.486 2.599 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911633377 983859920 /nfs/dbraw/zinc/85/99/20/983859920.db2.gz RRDUQZQYCIWZNV-NRFANRHFSA-N 1 0 370.497 2.534 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000164415506 984366645 /nfs/dbraw/zinc/36/66/45/984366645.db2.gz UEMCGEQEIDFJKZ-KRWDZBQOSA-N 1 0 362.514 2.995 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000056330888 984431248 /nfs/dbraw/zinc/43/12/48/984431248.db2.gz LAPKTPOZICFNIY-UHFFFAOYSA-N 1 0 367.497 2.611 20 10 FFCDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cnc3ccccc3n2)c2ccccc2O1 ZINC000760818830 984531825 /nfs/dbraw/zinc/53/18/25/984531825.db2.gz SNIKNWLDBBZJMJ-WFTPILKQSA-N 1 0 374.444 2.999 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCOCC1 ZINC000765255588 985009821 /nfs/dbraw/zinc/00/98/21/985009821.db2.gz RBDZIDKLXMELHH-ICSRJNTNSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc([C@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168586724 985631787 /nfs/dbraw/zinc/63/17/87/985631787.db2.gz KIYQNLXAYXPIIQ-RYGJVYDSSA-N 1 0 359.422 2.650 20 10 FFCDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000139957514 985641270 /nfs/dbraw/zinc/64/12/70/985641270.db2.gz ITJLYZSGNOKMGN-QZTJIDSGSA-N 1 0 374.529 2.758 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000174466525 986228237 /nfs/dbraw/zinc/22/82/37/986228237.db2.gz ZOMRUOKHVWORJO-KRWDZBQOSA-N 1 0 370.449 2.560 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000999745156 986613906 /nfs/dbraw/zinc/61/39/06/986613906.db2.gz LRZYQORYVWJETN-YOUFYPILSA-N 1 0 372.509 2.899 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000765882359 986807438 /nfs/dbraw/zinc/80/74/38/986807438.db2.gz BRIWAQWZHOESSR-KRWDZBQOSA-N 1 0 360.546 2.736 20 10 FFCDRO COC(=O)c1ccccc1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000186504327 987514173 /nfs/dbraw/zinc/51/41/73/987514173.db2.gz QMALZBCYHBBIGG-UHFFFAOYSA-N 1 0 368.477 2.984 20 10 FFCDRO COCC1(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)[C@H](C)C2)CC1 ZINC001106429027 988140068 /nfs/dbraw/zinc/14/00/68/988140068.db2.gz STMKCVVVJVPQQQ-SJLPKXTDSA-N 1 0 360.498 2.614 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)cc2)CC1 ZINC000922338160 988448157 /nfs/dbraw/zinc/44/81/57/988448157.db2.gz IEAPOFVTJLYYNO-HSALFYBXSA-N 1 0 371.525 2.683 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1 ZINC000922499653 988647970 /nfs/dbraw/zinc/64/79/70/988647970.db2.gz FJZNTRQYFCLQPP-UHFFFAOYSA-N 1 0 358.486 2.840 20 10 FFCDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(O)c3O)cc2)C[C@H](C)O1 ZINC000186913570 989377496 /nfs/dbraw/zinc/37/74/96/989377496.db2.gz TXCNMZDXMKEZAJ-GJZGRUSLSA-N 1 0 370.449 2.637 20 10 FFCDRO CCc1nc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)co1 ZINC000153866182 989751078 /nfs/dbraw/zinc/75/10/78/989751078.db2.gz OLFHZQWMBZXIKC-UHFFFAOYSA-N 1 0 368.481 2.699 20 10 FFCDRO C[C@@]12CN(C(=O)c3cccc(O)c3O)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702261529 989936441 /nfs/dbraw/zinc/93/64/41/989936441.db2.gz LNJYFMAHRBOODR-HRAATJIYSA-N 1 0 352.434 2.692 20 10 FFCDRO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000702227784 989937460 /nfs/dbraw/zinc/93/74/60/989937460.db2.gz NYTGDIACLRJHMI-PMACEKPBSA-N 1 0 351.494 2.785 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3OCC[C@@H]4O)cc2)CC1 ZINC000766087666 990006088 /nfs/dbraw/zinc/00/60/88/990006088.db2.gz SSZTYFPWXLZLPL-FQEVSTJZSA-N 1 0 353.466 2.866 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154582861 990307837 /nfs/dbraw/zinc/30/78/37/990307837.db2.gz JZWBPXDGUPXKNM-WBVHZDCISA-N 1 0 352.438 2.807 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001035057831 990354515 /nfs/dbraw/zinc/35/45/15/990354515.db2.gz VUQVWOGAGXICMC-MLYOOKFZSA-N 1 0 358.482 2.652 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCCCC(=O)C3)cc2)CC1 ZINC000918844236 990511339 /nfs/dbraw/zinc/51/13/39/990511339.db2.gz BTMCWRSHQDKVMS-SFHVURJKSA-N 1 0 357.498 2.594 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C3CCC(O)CC3)cc2)CC1 ZINC000918852632 990512214 /nfs/dbraw/zinc/51/22/14/990512214.db2.gz SXXDTWSMOHULQS-UHFFFAOYSA-N 1 0 373.541 2.632 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cc(C3CC3)nn2C)cc1Cn1cccn1 ZINC000922948260 990761162 /nfs/dbraw/zinc/76/11/62/990761162.db2.gz UFKXMSHQQUJYDV-UHFFFAOYSA-N 1 0 351.454 2.841 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000921113356 990976463 /nfs/dbraw/zinc/97/64/63/990976463.db2.gz YCYDGYNKZANWBA-NHCUHLMSSA-N 1 0 371.525 2.887 20 10 FFCDRO C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]C1 ZINC000237613066 991289151 /nfs/dbraw/zinc/28/91/51/991289151.db2.gz AXVSKMXVEFFFNK-IFXJQAMLSA-N 1 0 367.440 2.763 20 10 FFCDRO C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237673316 991300704 /nfs/dbraw/zinc/30/07/04/991300704.db2.gz MGLQAWOPNQRZJA-YLJYHZDGSA-N 1 0 373.541 2.537 20 10 FFCDRO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651148 1015625363 /nfs/dbraw/zinc/62/53/63/1015625363.db2.gz KCIFNGBVWLNMML-UONOGXRCSA-N 1 0 356.422 2.534 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C ZINC000237864104 991371342 /nfs/dbraw/zinc/37/13/42/991371342.db2.gz IKPAWDXSVSKYOP-SFHVURJKSA-N 1 0 354.450 2.779 20 10 FFCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(F)ccc3O)CC2)nc1 ZINC000180008900 991396815 /nfs/dbraw/zinc/39/68/15/991396815.db2.gz HBCKFGWEGPGFSR-UHFFFAOYSA-N 1 0 373.428 2.815 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1CCCc2ccccc21 ZINC000237947377 991406460 /nfs/dbraw/zinc/40/64/60/991406460.db2.gz UZILJLKQTZDSHR-UHFFFAOYSA-N 1 0 365.477 2.592 20 10 FFCDRO COc1cccc(CC(=O)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000068986417 991559216 /nfs/dbraw/zinc/55/92/16/991559216.db2.gz KHITXIHBJJENLK-UHFFFAOYSA-N 1 0 368.477 2.905 20 10 FFCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H]2C(F)(F)F)cc1Br ZINC001236982921 991988374 /nfs/dbraw/zinc/98/83/74/991988374.db2.gz SXPJSLPNIWLXAY-LBPRGKRZSA-N 1 0 353.182 2.799 20 10 FFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(O)c1O ZINC000182249685 991991276 /nfs/dbraw/zinc/99/12/76/991991276.db2.gz RIPUJNSFPFOCNZ-UHFFFAOYSA-N 1 0 364.392 2.888 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000182320133 992006960 /nfs/dbraw/zinc/00/69/60/992006960.db2.gz HASBJIFUDRCHRK-OAHLLOKOSA-N 1 0 354.450 2.899 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCCN(C)c2ccccc2)c1 ZINC000182337684 992014524 /nfs/dbraw/zinc/01/45/24/992014524.db2.gz WUSHJQZABNWYKV-INIZCTEOSA-N 1 0 371.481 2.694 20 10 FFCDRO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123993 992410564 /nfs/dbraw/zinc/41/05/64/992410564.db2.gz ONEVYCLVZOFMRH-LJQANCHMSA-N 1 0 359.514 2.746 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4[C@H]3O)CC2)cc1 ZINC000808730202 994244779 /nfs/dbraw/zinc/24/47/79/994244779.db2.gz UNPAGMZGCWSNQM-TZIWHRDSSA-N 1 0 354.450 2.748 20 10 FFCDRO Cc1ccc(O)c(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000809728480 994582100 /nfs/dbraw/zinc/58/21/00/994582100.db2.gz ZJQXRMRVMQYOMP-UHFFFAOYSA-N 1 0 355.482 2.820 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCc1ccccc1O3)[C@H](O)CO2 ZINC000811782567 995242908 /nfs/dbraw/zinc/24/29/08/995242908.db2.gz OTWAKVVRNWHWHA-NQIIRXRSSA-N 1 0 353.418 2.788 20 10 FFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000811868289 995274358 /nfs/dbraw/zinc/27/43/58/995274358.db2.gz TVIGJBPYXYHVOL-DLBZAZTESA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)c3ccccc3OC)CC2)cc1 ZINC000812833311 995547902 /nfs/dbraw/zinc/54/79/02/995547902.db2.gz HUGPLSFADJPECW-HXUWFJFHSA-N 1 0 356.466 2.996 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2OCC(=O)N(C)C)c1 ZINC000813331439 995666765 /nfs/dbraw/zinc/66/67/65/995666765.db2.gz OZZNURWIIIUWJI-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C1 ZINC000727467006 995831391 /nfs/dbraw/zinc/83/13/91/995831391.db2.gz NZFIRAQTGBHZSI-MRXNPFEDSA-N 1 0 363.465 2.554 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCCC[NH+]3CCCCC3)C2)cc1 ZINC000824144755 996800951 /nfs/dbraw/zinc/80/09/51/996800951.db2.gz GOWLAULFVDNLTC-GOSISDBHSA-N 1 0 374.529 2.697 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nn4cc(C)nc4s3)cc2F)CC1 ZINC000730109282 996868782 /nfs/dbraw/zinc/86/87/82/996868782.db2.gz PLUBBHOZHBCDNS-UHFFFAOYSA-N 1 0 374.489 2.992 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3O)cc2F)CC1 ZINC000730194741 996958738 /nfs/dbraw/zinc/95/87/38/996958738.db2.gz OOXMTEUQBUMUNR-UHFFFAOYSA-N 1 0 357.429 2.603 20 10 FFCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000828014000 996961303 /nfs/dbraw/zinc/96/13/03/996961303.db2.gz QQAKIRGJUVLCCQ-UHFFFAOYSA-N 1 0 358.461 2.970 20 10 FFCDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(N)=O ZINC000824609364 997011440 /nfs/dbraw/zinc/01/14/40/997011440.db2.gz YKOUDWVXTYGFTG-SFHVURJKSA-N 1 0 359.514 2.637 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1OC ZINC000824634596 997020966 /nfs/dbraw/zinc/02/09/66/997020966.db2.gz AYUIQFMBWYXKSL-OXQOHEQNSA-N 1 0 361.413 2.709 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000730257569 997023209 /nfs/dbraw/zinc/02/32/09/997023209.db2.gz QVKVNHIIJJNLNY-UHFFFAOYSA-N 1 0 353.466 2.997 20 10 FFCDRO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824709592 997063735 /nfs/dbraw/zinc/06/37/35/997063735.db2.gz MMYAXVXVGAFDFJ-MOPGFXCFSA-N 1 0 362.514 2.729 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)ccc1OC ZINC000825046380 997194383 /nfs/dbraw/zinc/19/43/83/997194383.db2.gz SOYLSUOEFXTWSA-YLJYHZDGSA-N 1 0 359.470 2.975 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1N1CCCCC1 ZINC000826845258 1016100562 /nfs/dbraw/zinc/10/05/62/1016100562.db2.gz HZGFNRCOMRNEBF-QGZVFWFLSA-N 1 0 370.457 2.699 20 10 FFCDRO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825118942 997220360 /nfs/dbraw/zinc/22/03/60/997220360.db2.gz ZJVQSNAQUJZIMX-MRXNPFEDSA-N 1 0 371.447 2.839 20 10 FFCDRO CCc1cccc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c1O ZINC000826888524 1016167544 /nfs/dbraw/zinc/16/75/44/1016167544.db2.gz IDRIQGGKVLQGSH-KDURUIRLSA-N 1 0 364.445 2.572 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000844726814 998099541 /nfs/dbraw/zinc/09/95/41/998099541.db2.gz XFUHLSZYBGZXDI-UHFFFAOYSA-N 1 0 360.454 2.986 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000844898170 998210967 /nfs/dbraw/zinc/21/09/67/998210967.db2.gz SZFRGPBFVVDBLR-QGZVFWFLSA-N 1 0 362.518 2.505 20 10 FFCDRO CCOc1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000732230144 998563400 /nfs/dbraw/zinc/56/34/00/998563400.db2.gz DGZJTUOQIUANKA-UHFFFAOYSA-N 1 0 368.433 2.957 20 10 FFCDRO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499549 998608722 /nfs/dbraw/zinc/60/87/22/998608722.db2.gz IGRWEIUYVVGMHU-OLZOCXBDSA-N 1 0 366.458 2.929 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515800 998627655 /nfs/dbraw/zinc/62/76/55/998627655.db2.gz ZFKYLQHPCGAVED-NEPJUHHUSA-N 1 0 352.431 2.539 20 10 FFCDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000733334363 998965775 /nfs/dbraw/zinc/96/57/75/998965775.db2.gz IITJYYDXGBNIKW-SFHVURJKSA-N 1 0 373.884 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)n[nH]2)cc1C ZINC001085143492 999026085 /nfs/dbraw/zinc/02/60/85/999026085.db2.gz BJRXZEXZVXPNNY-IAGOWNOFSA-N 1 0 356.470 2.866 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnn2C)cc1C ZINC001085148821 999028889 /nfs/dbraw/zinc/02/88/89/999028889.db2.gz PEEIGAQZARBYBJ-IAGOWNOFSA-N 1 0 356.470 2.568 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000740006323 999656995 /nfs/dbraw/zinc/65/69/95/999656995.db2.gz KFQHOXFIDPKBSU-IFMALSPDSA-N 1 0 353.510 2.725 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000740006970 999657209 /nfs/dbraw/zinc/65/72/09/999657209.db2.gz PTTJYKGEDPFTJR-NQIIRXRSSA-N 1 0 370.493 2.764 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](CC(C)C)C3)CC2)cc1 ZINC000745946431 999937597 /nfs/dbraw/zinc/93/75/97/999937597.db2.gz DZCYBPPFVDEDER-GOSISDBHSA-N 1 0 359.514 2.712 20 10 FFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001169974307 1000141785 /nfs/dbraw/zinc/14/17/85/1000141785.db2.gz IONIHMHBBTWIAB-HNNXBMFYSA-N 1 0 363.502 2.519 20 10 FFCDRO CC(C)C[C@@H](O)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000768047523 1000176601 /nfs/dbraw/zinc/17/66/01/1000176601.db2.gz TUFXPBOBWAAUBW-QGZVFWFLSA-N 1 0 371.525 2.931 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cnc(N2CCCC2)nc1)C[C@H]1CCCO1 ZINC000768161493 1000187895 /nfs/dbraw/zinc/18/78/95/1000187895.db2.gz FXKGEPSFSLPSMZ-LJQANCHMSA-N 1 0 368.481 2.964 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000846002267 1000192720 /nfs/dbraw/zinc/19/27/20/1000192720.db2.gz PWVGDLPOAFIJLI-INIZCTEOSA-N 1 0 374.481 2.547 20 10 FFCDRO Cn1ccnc1[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846056508 1000195321 /nfs/dbraw/zinc/19/53/21/1000195321.db2.gz HJRFSDRTDZCWBC-INIZCTEOSA-N 1 0 351.406 2.928 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110097 1000203118 /nfs/dbraw/zinc/20/31/18/1000203118.db2.gz WUKHARVRZDLMSA-NRFANRHFSA-N 1 0 357.450 2.992 20 10 FFCDRO CC[C@H](F)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096641451 1016394591 /nfs/dbraw/zinc/39/45/91/1016394591.db2.gz QNNXIPGZKHUZAS-UKMLZYKCSA-N 1 0 361.421 2.932 20 10 FFCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768463356 1000262790 /nfs/dbraw/zinc/26/27/90/1000262790.db2.gz HKYTZRSZSQTZNR-DYVFJYSZSA-N 1 0 363.454 2.762 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000846663224 1000408116 /nfs/dbraw/zinc/40/81/16/1000408116.db2.gz FOALZNOHIBYUBL-GOSISDBHSA-N 1 0 354.429 2.732 20 10 FFCDRO C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846703923 1000414193 /nfs/dbraw/zinc/41/41/93/1000414193.db2.gz RJMCLKKDZOHZMZ-CXAGYDPISA-N 1 0 352.394 2.704 20 10 FFCDRO C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846703929 1000414372 /nfs/dbraw/zinc/41/43/72/1000414372.db2.gz RJMCLKKDZOHZMZ-GUYCJALGSA-N 1 0 352.394 2.704 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000769232169 1000470926 /nfs/dbraw/zinc/47/09/26/1000470926.db2.gz IIJDGIDNNZPGCU-CQSZACIVSA-N 1 0 364.442 2.952 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000847038198 1000529114 /nfs/dbraw/zinc/52/91/14/1000529114.db2.gz RTUHWATZFJRSSI-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCC2(O)CC2)C1 ZINC000769665157 1000572851 /nfs/dbraw/zinc/57/28/51/1000572851.db2.gz QUAIYCNHFGQUDW-UHFFFAOYSA-N 1 0 356.466 2.866 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cnccc3C)CC2)cc1 ZINC000772445808 1001396059 /nfs/dbraw/zinc/39/60/59/1001396059.db2.gz JCEFXHAIMLXLGT-GOSISDBHSA-N 1 0 354.498 2.871 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1C ZINC000785564859 1001458751 /nfs/dbraw/zinc/45/87/51/1001458751.db2.gz ULMDXVLDIAZFJX-QGZVFWFLSA-N 1 0 370.497 2.691 20 10 FFCDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000787437351 1001691064 /nfs/dbraw/zinc/69/10/64/1001691064.db2.gz STUYASYCXMCLRA-FQEVSTJZSA-N 1 0 357.406 2.732 20 10 FFCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000788313197 1001790205 /nfs/dbraw/zinc/79/02/05/1001790205.db2.gz IEFBGMVNXLZEHH-UHFFFAOYSA-N 1 0 374.529 2.541 20 10 FFCDRO COc1cc(C)c(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c(O)c1 ZINC001183095990 1002162188 /nfs/dbraw/zinc/16/21/88/1002162188.db2.gz XPVNBISTIDSKMC-IBGZPJMESA-N 1 0 369.509 2.615 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCCC1 ZINC000790954440 1002525964 /nfs/dbraw/zinc/52/59/64/1002525964.db2.gz RWKQGAPWRADQBP-SFHVURJKSA-N 1 0 359.514 2.827 20 10 FFCDRO Cc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001185415454 1002950045 /nfs/dbraw/zinc/95/00/45/1002950045.db2.gz QYZHTFHSAVQHES-UHFFFAOYSA-N 1 0 352.482 2.746 20 10 FFCDRO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CC[C@H](C)C1 ZINC000792463846 1003009012 /nfs/dbraw/zinc/00/90/12/1003009012.db2.gz FDFVYIOCTBUVFS-PXNSSMCTSA-N 1 0 361.530 2.848 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000793391368 1003363733 /nfs/dbraw/zinc/36/37/33/1003363733.db2.gz WOLDBRNFAKIXFY-CYBMUJFWSA-N 1 0 372.421 2.694 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000773106597 1003519414 /nfs/dbraw/zinc/51/94/14/1003519414.db2.gz YDZWEHJJNGIBDM-GOSISDBHSA-N 1 0 352.482 2.928 20 10 FFCDRO C[C@@H](N1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1)C(F)(F)F ZINC000775735481 1003881935 /nfs/dbraw/zinc/88/19/35/1003881935.db2.gz PFLJJYDMMXICER-MRXNPFEDSA-N 1 0 370.463 2.507 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1cccc(C)c1 ZINC000747235860 1003987792 /nfs/dbraw/zinc/98/77/92/1003987792.db2.gz IEWBOAAURVQTHH-VQTJNVASSA-N 1 0 367.493 2.996 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000807550539 1004623337 /nfs/dbraw/zinc/62/33/37/1004623337.db2.gz RZRZFLDJNGQCSB-FQEVSTJZSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OCC(C)(C)C)CC2)cc1 ZINC001194398635 1004722238 /nfs/dbraw/zinc/72/22/38/1004722238.db2.gz RFGPYFRJRDIRIP-UHFFFAOYSA-N 1 0 363.502 2.980 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000775618073 1004835997 /nfs/dbraw/zinc/83/59/97/1004835997.db2.gz PGWXXBKPKHXMKF-IRXDYDNUSA-N 1 0 359.514 2.758 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H]2CCCO[C@H]21 ZINC000776156747 1005201421 /nfs/dbraw/zinc/20/14/21/1005201421.db2.gz MKAYMXGNNFIMHZ-IJXRJRJASA-N 1 0 371.525 2.682 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)nc3)cc2F)CC1 ZINC000106702478 1005356450 /nfs/dbraw/zinc/35/64/50/1005356450.db2.gz VBGGOVIUAXRFTJ-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COc3ccccc3)cc2F)CC1 ZINC000106702870 1005356532 /nfs/dbraw/zinc/35/65/32/1005356532.db2.gz CGCRLBHOBCFGJY-UHFFFAOYSA-N 1 0 371.456 2.663 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c(OC)c1 ZINC001137049013 1005406037 /nfs/dbraw/zinc/40/60/37/1005406037.db2.gz UZNCJTFZIJRIOG-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C ZINC000827066800 1016968887 /nfs/dbraw/zinc/96/88/87/1016968887.db2.gz VAIYBXULNXSAKY-INIZCTEOSA-N 1 0 362.470 2.877 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000109032131 1005774875 /nfs/dbraw/zinc/77/48/75/1005774875.db2.gz UEBONXKPLDVGBS-MRXNPFEDSA-N 1 0 362.493 2.955 20 10 FFCDRO COCCN(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850347488 1005809003 /nfs/dbraw/zinc/80/90/03/1005809003.db2.gz SMRCFABRMXVGMQ-GOSISDBHSA-N 1 0 370.497 2.541 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000850347088 1005809148 /nfs/dbraw/zinc/80/91/48/1005809148.db2.gz NGAAYXCLEMVFGP-FQEVSTJZSA-N 1 0 366.509 2.923 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)C2)cc1 ZINC000850487488 1005818218 /nfs/dbraw/zinc/81/82/18/1005818218.db2.gz HDSKDAIVDLIGKX-IRXDYDNUSA-N 1 0 374.506 2.726 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000850483557 1005818327 /nfs/dbraw/zinc/81/83/27/1005818327.db2.gz YQISPSJVWREAKA-IEBWSBKVSA-N 1 0 357.450 2.598 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000850758664 1005836830 /nfs/dbraw/zinc/83/68/30/1005836830.db2.gz CCPXERKEIVPMTM-LJQANCHMSA-N 1 0 354.454 2.735 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850762230 1005837675 /nfs/dbraw/zinc/83/76/75/1005837675.db2.gz HGLXBKURKICLPR-BFUOFWGJSA-N 1 0 371.437 2.511 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000007588097 1005840200 /nfs/dbraw/zinc/84/02/00/1005840200.db2.gz FGIPWWDZVKIPJK-QGZVFWFLSA-N 1 0 353.466 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000851639953 1005902234 /nfs/dbraw/zinc/90/22/34/1005902234.db2.gz NNYAMBCCHHBAJP-FXAWDEMLSA-N 1 0 353.466 2.870 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)cc1 ZINC000851937364 1005924301 /nfs/dbraw/zinc/92/43/01/1005924301.db2.gz OTJXRTZEEGJNQS-OAHLLOKOSA-N 1 0 374.529 2.882 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000852373737 1005995590 /nfs/dbraw/zinc/99/55/90/1005995590.db2.gz NXEOBRIDIFVABF-QGZVFWFLSA-N 1 0 372.513 2.590 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000852598260 1006096217 /nfs/dbraw/zinc/09/62/17/1006096217.db2.gz VRBVTHASKOCWCJ-TZIWHRDSSA-N 1 0 373.541 2.992 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852664037 1006130069 /nfs/dbraw/zinc/13/00/69/1006130069.db2.gz BEEFOCVCFSCTMP-HOTGVXAUSA-N 1 0 357.429 2.779 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)CC1 ZINC000881848790 1006242117 /nfs/dbraw/zinc/24/21/17/1006242117.db2.gz ALTCWCOYKICXAW-UHFFFAOYSA-N 1 0 365.477 2.718 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3OCc4ccccc43)cc2)CC1 ZINC000881854971 1006244118 /nfs/dbraw/zinc/24/41/18/1006244118.db2.gz NGKANLGENLILPR-OAQYLSRUSA-N 1 0 365.477 2.716 20 10 FFCDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121504 1006305572 /nfs/dbraw/zinc/30/55/72/1006305572.db2.gz FXIOFPQKHSNWJT-NRFANRHFSA-N 1 0 358.457 2.918 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000853243268 1006347291 /nfs/dbraw/zinc/34/72/91/1006347291.db2.gz ATSCFZOYMKRAGE-MSOLQXFVSA-N 1 0 374.529 2.838 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(CO)c(F)cn3)cc2F)CC1 ZINC000853293246 1006361271 /nfs/dbraw/zinc/36/12/71/1006361271.db2.gz CWSFDACWXPDIOR-UHFFFAOYSA-N 1 0 362.424 2.606 20 10 FFCDRO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235067 1006363183 /nfs/dbraw/zinc/36/31/83/1006363183.db2.gz LIWVXYKCNSRXRB-NVXWUHKLSA-N 1 0 370.449 2.511 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000111512011 1006506126 /nfs/dbraw/zinc/50/61/26/1006506126.db2.gz JGCLLXXZIXGMOA-LJQANCHMSA-N 1 0 374.529 2.838 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4c3ncn4C3CC3)cc2)CC1 ZINC000882879867 1006544982 /nfs/dbraw/zinc/54/49/82/1006544982.db2.gz QOJMWFRBARSVRB-UHFFFAOYSA-N 1 0 363.469 2.525 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)cc1C ZINC001135135501 1006738371 /nfs/dbraw/zinc/73/83/71/1006738371.db2.gz WIZOMSYWBMDXER-TZIWHRDSSA-N 1 0 368.477 2.782 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(CC[NH+](C)C)C3CCCC3)C2)cc1 ZINC000854300142 1006765626 /nfs/dbraw/zinc/76/56/26/1006765626.db2.gz PQZZITATTZXQSS-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@]3(C)CC3(F)F)cc2)CC1 ZINC000883776004 1007000196 /nfs/dbraw/zinc/00/01/96/1007000196.db2.gz OOCRYFNAXDFGNM-SFHVURJKSA-N 1 0 366.456 2.673 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000775256968 1007111967 /nfs/dbraw/zinc/11/19/67/1007111967.db2.gz BKACMLZYKWOYJI-MGPUTAFESA-N 1 0 371.437 2.816 20 10 FFCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000816562314 1007120397 /nfs/dbraw/zinc/12/03/97/1007120397.db2.gz GYKSTVHRJCMQQF-VQIMIIECSA-N 1 0 367.493 2.815 20 10 FFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258562 1007128324 /nfs/dbraw/zinc/12/83/24/1007128324.db2.gz DYARONAZRIVOHG-NQIIRXRSSA-N 1 0 370.493 2.922 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2)c1 ZINC000775368617 1007512323 /nfs/dbraw/zinc/51/23/23/1007512323.db2.gz CCAZVUWZUYRSQT-CHWSQXEVSA-N 1 0 357.410 2.788 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)CCCOc2ccccc2)c1 ZINC000775368554 1007515425 /nfs/dbraw/zinc/51/54/25/1007515425.db2.gz AQTOSCLOLAQKQI-MRXNPFEDSA-N 1 0 372.465 2.979 20 10 FFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113601936 1007534153 /nfs/dbraw/zinc/53/41/53/1007534153.db2.gz JANMGSFDAFFPSQ-IBGZPJMESA-N 1 0 374.529 2.587 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000775371495 1007553113 /nfs/dbraw/zinc/55/31/13/1007553113.db2.gz YTFSOYLNFHAYDB-TVBYKBMUSA-N 1 0 358.482 2.992 20 10 FFCDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817887755 1007785184 /nfs/dbraw/zinc/78/51/84/1007785184.db2.gz DLSZPSUVHMHJJZ-UZLBHIALSA-N 1 0 357.473 2.710 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21 ZINC000817999943 1007830368 /nfs/dbraw/zinc/83/03/68/1007830368.db2.gz ZKAUQVXKWXQNBZ-YJBOKZPZSA-N 1 0 370.522 2.872 20 10 FFCDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000818013035 1007855318 /nfs/dbraw/zinc/85/53/18/1007855318.db2.gz XIAKQNNTKLOUJK-IBGZPJMESA-N 1 0 355.482 2.901 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000818117213 1007866782 /nfs/dbraw/zinc/86/67/82/1007866782.db2.gz WIFRRWNJFOZBNK-UWJYYQICSA-N 1 0 367.493 2.941 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)n1 ZINC000856594496 1007905754 /nfs/dbraw/zinc/90/57/54/1007905754.db2.gz GLCQTWPAOPJIGL-XYASWCNUSA-N 1 0 370.497 2.781 20 10 FFCDRO CCCN(CCC)c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000818431815 1007909206 /nfs/dbraw/zinc/90/92/06/1007909206.db2.gz UIKOKELUKMRSKH-LEWJYISDSA-N 1 0 355.530 2.973 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC001191269886 1007951705 /nfs/dbraw/zinc/95/17/05/1007951705.db2.gz ZJSDZTPJMZEOPH-RDJZCZTQSA-N 1 0 372.303 2.889 20 10 FFCDRO CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818658334 1007961747 /nfs/dbraw/zinc/96/17/47/1007961747.db2.gz QGVMWBFVBIXUQZ-SFHVURJKSA-N 1 0 374.529 2.553 20 10 FFCDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000818964384 1007979910 /nfs/dbraw/zinc/97/99/10/1007979910.db2.gz UPOARVAJEKDFCV-IBGZPJMESA-N 1 0 373.478 2.971 20 10 FFCDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954782 1007992382 /nfs/dbraw/zinc/99/23/82/1007992382.db2.gz WQTQQLXMKGAUNL-QFIPXVFZSA-N 1 0 353.510 2.869 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1F ZINC000818985009 1008001598 /nfs/dbraw/zinc/00/15/98/1008001598.db2.gz LCOKYAWVOBFJBZ-OAHLLOKOSA-N 1 0 357.429 2.903 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002053 1008005136 /nfs/dbraw/zinc/00/51/36/1008005136.db2.gz HONHXANPEPCVEQ-QGZVFWFLSA-N 1 0 372.456 2.880 20 10 FFCDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094952 1008032104 /nfs/dbraw/zinc/03/21/04/1008032104.db2.gz PCIPSBIMBRJNJS-GOSISDBHSA-N 1 0 369.421 2.501 20 10 FFCDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000819115116 1008048050 /nfs/dbraw/zinc/04/80/50/1008048050.db2.gz CTZRXCCWRLQQSX-NLWGTHIKSA-N 1 0 363.546 2.592 20 10 FFCDRO C[C@H]1CCC[C@@](CN2C(=O)CN(Cc3ccccc3O)C2=O)([NH+](C)C)C1 ZINC000819165310 1008054403 /nfs/dbraw/zinc/05/44/03/1008054403.db2.gz TYUYKKUBCYTKOJ-MGPUTAFESA-N 1 0 359.470 2.667 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3cc(C)cc(C)c3)CC2)cc1 ZINC000819395700 1008114777 /nfs/dbraw/zinc/11/47/77/1008114777.db2.gz RCHXDNLZYNFVTG-NRFANRHFSA-N 1 0 369.509 2.907 20 10 FFCDRO O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819454701 1008138543 /nfs/dbraw/zinc/13/85/43/1008138543.db2.gz SMAATWULXIJHAR-YUQDSPFASA-N 1 0 369.509 2.570 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1F ZINC000858121065 1008305907 /nfs/dbraw/zinc/30/59/07/1008305907.db2.gz SYQYZVDGNCWKAC-UHFFFAOYSA-N 1 0 363.408 2.646 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000858186875 1008319729 /nfs/dbraw/zinc/31/97/29/1008319729.db2.gz NTVRCHKPLGKPJS-MRXNPFEDSA-N 1 0 367.428 2.784 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4NC3=O)CC2)cc1 ZINC000858283071 1008339481 /nfs/dbraw/zinc/33/94/81/1008339481.db2.gz XHVQEXGHVOTPNE-HXUWFJFHSA-N 1 0 351.450 2.817 20 10 FFCDRO Cc1cc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CCOCC2)on1 ZINC000858326340 1008346614 /nfs/dbraw/zinc/34/66/14/1008346614.db2.gz YVICQHKPPXLJIP-UHFFFAOYSA-N 1 0 357.454 2.615 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000858766482 1008419407 /nfs/dbraw/zinc/41/94/07/1008419407.db2.gz NGGHAOGQKHAIIP-QGZVFWFLSA-N 1 0 351.450 2.873 20 10 FFCDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000822843516 1008787517 /nfs/dbraw/zinc/78/75/17/1008787517.db2.gz OMOLGZDIEPACTG-UHFFFAOYSA-N 1 0 351.410 2.805 20 10 FFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000886747565 1008857169 /nfs/dbraw/zinc/85/71/69/1008857169.db2.gz YGXJSIXWFJRWLR-OALUTQOASA-N 1 0 359.514 2.682 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000823236005 1008957545 /nfs/dbraw/zinc/95/75/45/1008957545.db2.gz XTSDUJZSXHSCCV-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO CCn1nnc(C)c1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000823955403 1009277898 /nfs/dbraw/zinc/27/78/98/1009277898.db2.gz KUYYFIDVEMATDA-AWEZNQCLSA-N 1 0 365.428 2.966 20 10 FFCDRO CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000823955404 1009278030 /nfs/dbraw/zinc/27/80/30/1009278030.db2.gz KUYYFIDVEMATDA-CQSZACIVSA-N 1 0 365.428 2.966 20 10 FFCDRO COc1cc(NC(=O)NCc2cc(C)ccc2O)ccc1OCC[NH+](C)C ZINC000861181966 1009295320 /nfs/dbraw/zinc/29/53/20/1009295320.db2.gz YGSBUUVMRAFXLT-UHFFFAOYSA-N 1 0 373.453 2.971 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NOC2CC[NH+](C)CC2)cc1 ZINC000861550643 1009458882 /nfs/dbraw/zinc/45/88/82/1009458882.db2.gz QMFDBOZMKSMNCB-UHFFFAOYSA-N 1 0 369.465 2.591 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001180130182 1009557043 /nfs/dbraw/zinc/55/70/43/1009557043.db2.gz ACJPAIIFYCTNLK-INGXTZMFSA-N 1 0 357.498 2.525 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000861801814 1009563061 /nfs/dbraw/zinc/56/30/61/1009563061.db2.gz ANBZOOHSISEITJ-HNNXBMFYSA-N 1 0 355.482 2.763 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000861808297 1009566436 /nfs/dbraw/zinc/56/64/36/1009566436.db2.gz KMWLKSTYEBQZDT-YLJYHZDGSA-N 1 0 351.450 2.683 20 10 FFCDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000777222302 1009602338 /nfs/dbraw/zinc/60/23/38/1009602338.db2.gz LKALVPDILNDJPL-ZIAGYGMSSA-N 1 0 366.458 2.756 20 10 FFCDRO CN(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889674696 1010050436 /nfs/dbraw/zinc/05/04/36/1010050436.db2.gz RYBFAFCLBXUGGW-UHFFFAOYSA-N 1 0 370.472 2.919 20 10 FFCDRO O=C(CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)Nc1ccccc1 ZINC000119603079 1010310083 /nfs/dbraw/zinc/31/00/83/1010310083.db2.gz UDYAYPOZBSLYGC-UHFFFAOYSA-N 1 0 365.477 2.637 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnc(C)c3)cc2F)CC1 ZINC000119793587 1010375112 /nfs/dbraw/zinc/37/51/12/1010375112.db2.gz FFOBWKAFQXJDIG-UHFFFAOYSA-N 1 0 371.460 2.993 20 10 FFCDRO C[N@H+](CCn1cc(COc2ccc(N)cc2)nn1)Cc1cccc(F)c1 ZINC000864626978 1010532722 /nfs/dbraw/zinc/53/27/22/1010532722.db2.gz GDZNJOQKPPGNJQ-UHFFFAOYSA-N 1 0 355.417 2.710 20 10 FFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000015571677 1010756105 /nfs/dbraw/zinc/75/61/05/1010756105.db2.gz SVDZSCNYODSWTP-UHFFFAOYSA-N 1 0 354.450 2.942 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(C4CCOCC4)ns3)cc2)CC1 ZINC000865294756 1010757263 /nfs/dbraw/zinc/75/72/63/1010757263.db2.gz RGRHWQXJTKOKMN-UHFFFAOYSA-N 1 0 373.526 2.796 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCC(CNC(C)=O)CC3)C2)cc1 ZINC000865608454 1010826282 /nfs/dbraw/zinc/82/62/82/1010826282.db2.gz JWQLWFWGSOKUSS-XBMUEBEBSA-N 1 0 359.514 2.806 20 10 FFCDRO CCn1ccc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)[C@H](C)C2)n1 ZINC001094088203 1010847408 /nfs/dbraw/zinc/84/74/08/1010847408.db2.gz HLBLYYPKZDBASM-SJLPKXTDSA-N 1 0 370.497 2.718 20 10 FFCDRO C[C@H](NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1O ZINC000868091797 1011163753 /nfs/dbraw/zinc/16/37/53/1011163753.db2.gz NVIPIRBEYGJILF-INIZCTEOSA-N 1 0 369.465 2.785 20 10 FFCDRO c1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000716227397 1011164767 /nfs/dbraw/zinc/16/47/67/1011164767.db2.gz HUIROZGZUXQXGQ-JOCHJYFZSA-N 1 0 351.494 2.887 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000113343267 1011402560 /nfs/dbraw/zinc/40/25/60/1011402560.db2.gz VQTNKJFXBQDAMC-QGZVFWFLSA-N 1 0 361.486 2.622 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3occ4c3CCC4)cc2F)CC1 ZINC000796231858 1011420550 /nfs/dbraw/zinc/42/05/50/1011420550.db2.gz LRDJQLWRXVXTED-UHFFFAOYSA-N 1 0 371.456 2.979 20 10 FFCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCCN2C ZINC001275027587 1011826831 /nfs/dbraw/zinc/82/68/31/1011826831.db2.gz WACNQRLJHZBFLP-QZTJIDSGSA-N 1 0 357.498 2.881 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)c(OC)c1 ZINC001172761166 1011999334 /nfs/dbraw/zinc/99/93/34/1011999334.db2.gz FIUAHZMEDGJAAN-INIZCTEOSA-N 1 0 364.486 2.946 20 10 FFCDRO O=C(CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2O)C1=O)c1cccs1 ZINC001275232566 1012114721 /nfs/dbraw/zinc/11/47/21/1012114721.db2.gz SZKOVERHDYBRGC-HXUWFJFHSA-N 1 0 370.474 2.904 20 10 FFCDRO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001275247539 1012134478 /nfs/dbraw/zinc/13/44/78/1012134478.db2.gz BMJGDFLBEXXTLF-HFBAOOFYSA-N 1 0 350.846 2.588 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1O ZINC001275279021 1012190720 /nfs/dbraw/zinc/19/07/20/1012190720.db2.gz FZUPKJFTSGRSLB-UHFFFAOYSA-N 1 0 368.424 2.876 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001275279038 1012191169 /nfs/dbraw/zinc/19/11/69/1012191169.db2.gz GKYZKJKQBVGQHD-ZUOKHONESA-N 1 0 360.454 2.546 20 10 FFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001275279788 1012193600 /nfs/dbraw/zinc/19/36/00/1012193600.db2.gz NVNNAHQTUJFZCS-HXUWFJFHSA-N 1 0 360.454 2.547 20 10 FFCDRO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001275577795 1012639474 /nfs/dbraw/zinc/63/94/74/1012639474.db2.gz FUKPEIWAZINHBP-GOSISDBHSA-N 1 0 354.397 2.568 20 10 FFCDRO CC[C@@H](C)N1CCC2(CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)C1=O ZINC001275676696 1012836197 /nfs/dbraw/zinc/83/61/97/1012836197.db2.gz RLOQZCUWFWHSKB-CQSZACIVSA-N 1 0 362.470 2.719 20 10 FFCDRO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3c(C)ccc(C)c3O)CC2)C1=O ZINC001275770656 1012984757 /nfs/dbraw/zinc/98/47/57/1012984757.db2.gz DOTSJPYHXOHKCV-INIZCTEOSA-N 1 0 358.482 2.801 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000924704702 1017435870 /nfs/dbraw/zinc/43/58/70/1017435870.db2.gz HKQRWBRXXSFPPT-INIZCTEOSA-N 1 0 374.403 2.783 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cc1 ZINC000924831419 1017510303 /nfs/dbraw/zinc/51/03/03/1017510303.db2.gz KOYWOUIWLKYOIM-QFIPXVFZSA-N 1 0 373.541 2.612 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2F)C[C@H](C)O1 ZINC000827365311 1017775928 /nfs/dbraw/zinc/77/59/28/1017775928.db2.gz OYGXFLFIFSQTQJ-MDOVXXIYSA-N 1 0 371.456 2.756 20 10 FFCDRO C[C@H]([NH3+])[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000925689938 1017819364 /nfs/dbraw/zinc/81/93/64/1017819364.db2.gz DSZGKWSFNKJMRW-IFXJQAMLSA-N 1 0 361.436 2.980 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000925776462 1017846934 /nfs/dbraw/zinc/84/69/34/1017846934.db2.gz HJWRGOKJFCXJSH-IIBYNOLFSA-N 1 0 366.509 2.566 20 10 FFCDRO Cc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)ccc1N1CCCCC1 ZINC000827438401 1018030253 /nfs/dbraw/zinc/03/02/53/1018030253.db2.gz OPCDWQYWOJDICU-UHFFFAOYSA-N 1 0 356.514 2.975 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000749115631 1018176189 /nfs/dbraw/zinc/17/61/89/1018176189.db2.gz JJCWFMFBCAOUQW-YLJYHZDGSA-N 1 0 360.546 2.516 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927648852 1018599885 /nfs/dbraw/zinc/59/98/85/1018599885.db2.gz RKRJDDVLYAEIAF-SFHVURJKSA-N 1 0 361.486 2.567 20 10 FFCDRO Cc1cc(C(=O)CN2CCN(C)[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000828610429 1032778165 /nfs/dbraw/zinc/77/81/65/1032778165.db2.gz CLTYJEFCGZBEAV-HUUCEWRRSA-N 1 0 358.461 2.835 20 10 FFCDRO COC[C@]1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[NH2+]C1 ZINC000827821021 1018746859 /nfs/dbraw/zinc/74/68/59/1018746859.db2.gz LIAGOJQZFPUQEC-NRFANRHFSA-N 1 0 359.514 2.698 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2)cc1 ZINC000802311487 1019988140 /nfs/dbraw/zinc/98/81/40/1019988140.db2.gz TWOFEQVRIUFSRY-UWJYYQICSA-N 1 0 374.525 2.821 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H](C)c2ccccc2O)[C@@H](c2cnn(C)c2)C1 ZINC000827956371 1020123135 /nfs/dbraw/zinc/12/31/35/1020123135.db2.gz LCBFALZMYWZGDV-AYOQOUSVSA-N 1 0 370.497 2.817 20 10 FFCDRO CN(C)c1ccc([C@H](CN2C(=O)[C@H]3CCCCCN3C2=O)[NH+](C)C)cc1 ZINC000900184744 1020249110 /nfs/dbraw/zinc/24/91/10/1020249110.db2.gz GBGMDKBPXQCAAW-MSOLQXFVSA-N 1 0 358.486 2.562 20 10 FFCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000725849465 1020269833 /nfs/dbraw/zinc/26/98/33/1020269833.db2.gz INWTZDUYNWSIBE-UHFFFAOYSA-N 1 0 350.418 2.901 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000828882869 1032888427 /nfs/dbraw/zinc/88/84/27/1032888427.db2.gz FCXAONVGSIRVEG-QUCCMNQESA-N 1 0 359.514 2.602 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000900261076 1020313529 /nfs/dbraw/zinc/31/35/29/1020313529.db2.gz NHUCGULJVRTXJF-UHFFFAOYSA-N 1 0 374.573 2.955 20 10 FFCDRO CN1CCCc2cc(CNC(=O)C3CCC([NH+]4CCOCC4)CC3)ccc21 ZINC000900434085 1020418374 /nfs/dbraw/zinc/41/83/74/1020418374.db2.gz UVQLYNPOABOMNZ-UHFFFAOYSA-N 1 0 371.525 2.576 20 10 FFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000726238610 1020440245 /nfs/dbraw/zinc/44/02/45/1020440245.db2.gz PXJWIYYXGPEBEL-DLBZAZTESA-N 1 0 358.530 2.989 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000726608688 1020494101 /nfs/dbraw/zinc/49/41/01/1020494101.db2.gz NSBDFTGPHPULRR-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000800856677 1020602857 /nfs/dbraw/zinc/60/28/57/1020602857.db2.gz RHMZJEIGACMMCJ-IBGZPJMESA-N 1 0 364.442 2.858 20 10 FFCDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000903093088 1020673612 /nfs/dbraw/zinc/67/36/12/1020673612.db2.gz GZODQQOGVIGUEA-QUCCMNQESA-N 1 0 359.514 2.826 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933080635 1020954151 /nfs/dbraw/zinc/95/41/51/1020954151.db2.gz CHYUDXHOLPYQAI-LJQANCHMSA-N 1 0 359.514 2.507 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000749557921 1021006166 /nfs/dbraw/zinc/00/61/66/1021006166.db2.gz HBBFAQURNOTQNS-XKGZKEIXSA-N 1 0 374.529 2.756 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]CC[C@H]3F)ccc(O)c21 ZINC001218017837 1032956625 /nfs/dbraw/zinc/95/66/25/1032956625.db2.gz WLCSEEVHUGJHPN-UKRRQHHQSA-N 1 0 355.365 2.637 20 10 FFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N4CCN(C)CC4)c(F)c3)CC2)n1 ZINC001116440359 1021218102 /nfs/dbraw/zinc/21/81/02/1021218102.db2.gz RGHKMNUTCRZQAP-UHFFFAOYSA-N 1 0 373.476 2.649 20 10 FFCDRO COc1c(O[C@H]2C[NH2+][C@H](C)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001218039576 1032965526 /nfs/dbraw/zinc/96/55/26/1032965526.db2.gz DOLQPOKLGAAJPX-VXGBXAGGSA-N 1 0 367.401 2.614 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116585297 1021295540 /nfs/dbraw/zinc/29/55/40/1021295540.db2.gz WRYGTYAVIMBGIB-BBRMVZONSA-N 1 0 360.479 2.947 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3C[C@@H](C)c4c3c(O)ccc4C)C2=O)n(C)n1 ZINC001116588370 1021296634 /nfs/dbraw/zinc/29/66/34/1021296634.db2.gz DHUSKTLBWSLKAP-SNPRPXQTSA-N 1 0 354.454 2.686 20 10 FFCDRO COc1cc(O[C@H]2CC[NH2+]C2)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC001218179740 1033036601 /nfs/dbraw/zinc/03/66/01/1033036601.db2.gz JECIEGDTCDVBNM-LBPRGKRZSA-N 1 0 369.373 2.621 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CCN(c3ccc(O[C@H]4CC[NH2+]C4)cc3)CC2)cc1 ZINC001218180738 1033037730 /nfs/dbraw/zinc/03/77/30/1033037730.db2.gz BNJWWXMHIXHHAW-FQEVSTJZSA-N 1 0 368.437 2.662 20 10 FFCDRO Cc1cnc(C)nc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001119907392 1023156355 /nfs/dbraw/zinc/15/63/55/1023156355.db2.gz NCOKUZNRTKWPNQ-KRWDZBQOSA-N 1 0 356.474 2.584 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc2c1C(=O)c1ccccc1C2=O ZINC001218333355 1033111757 /nfs/dbraw/zinc/11/17/57/1033111757.db2.gz YEWMYEYBGRQYHI-BJOOFOGMSA-N 1 0 363.413 2.766 20 10 FFCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001120572533 1023367076 /nfs/dbraw/zinc/36/70/76/1023367076.db2.gz GFGKZFTUVZMTNS-SFHVURJKSA-N 1 0 362.543 2.523 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC001120574507 1023368194 /nfs/dbraw/zinc/36/81/94/1023368194.db2.gz MWECDOCNJMUYLW-LJQANCHMSA-N 1 0 374.529 2.572 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@H](C)[C@H]3CC[NH3+])C2)cc1 ZINC001120634606 1023396455 /nfs/dbraw/zinc/39/64/55/1023396455.db2.gz TVHRKOKDQOJPAV-SQGPQFPESA-N 1 0 374.529 2.680 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000754009717 1023414341 /nfs/dbraw/zinc/41/43/41/1023414341.db2.gz KLTSMQXNFOBNOX-MJGOQNOKSA-N 1 0 363.546 2.545 20 10 FFCDRO CC[C@H](C)C[N@H+](CC)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754052709 1023419769 /nfs/dbraw/zinc/41/97/69/1023419769.db2.gz YCEGPXWIVDFLGC-AZUAARDMSA-N 1 0 363.546 2.546 20 10 FFCDRO C[C@@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218399178 1033138265 /nfs/dbraw/zinc/13/82/65/1033138265.db2.gz OABVYFQIOLWVDF-VXGBXAGGSA-N 1 0 366.373 2.890 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+]C[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218416819 1033146799 /nfs/dbraw/zinc/14/67/99/1033146799.db2.gz UGAXYMKULSODJP-BLLLJJGKSA-N 1 0 351.402 2.847 20 10 FFCDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218426791 1033148096 /nfs/dbraw/zinc/14/80/96/1033148096.db2.gz XWPSZXDDXQEWRH-XHDPSFHLSA-N 1 0 366.373 2.747 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(F)ccc1O ZINC000756457535 1023713213 /nfs/dbraw/zinc/71/32/13/1023713213.db2.gz RICRXMVPGDTGGB-IUODEOHRSA-N 1 0 374.412 2.507 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)c2c1c(F)ccc2O ZINC000756561700 1023729665 /nfs/dbraw/zinc/72/96/65/1023729665.db2.gz HCGOTFIXGBXMRC-XJKSGUPXSA-N 1 0 363.477 2.612 20 10 FFCDRO [NH3+][C@@H]1CCc2cc(C(=O)Nc3cccc(N4CCCC4)c3)ccc2NC1=O ZINC001121910849 1024161170 /nfs/dbraw/zinc/16/11/70/1024161170.db2.gz ONIOUOIRFIJWJM-GOSISDBHSA-N 1 0 364.449 2.751 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC001121990527 1024243034 /nfs/dbraw/zinc/24/30/34/1024243034.db2.gz FTQJPCJCKQDPII-SZXPJGKVSA-N 1 0 363.477 2.573 20 10 FFCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])Cc3ccc4cc[nH]c4c3)ccc21 ZINC001121996782 1024247411 /nfs/dbraw/zinc/24/74/11/1024247411.db2.gz NOILIKCQHCRIBR-IBGZPJMESA-N 1 0 362.477 2.737 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000758719874 1024266858 /nfs/dbraw/zinc/26/68/58/1024266858.db2.gz JNRDLCWUJRXRPI-IEBWSBKVSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H](C)O)cc1 ZINC001141140448 1025508160 /nfs/dbraw/zinc/50/81/60/1025508160.db2.gz MICWNMVSOKBQKO-QGZVFWFLSA-N 1 0 370.493 2.949 20 10 FFCDRO CN1CCOc2cc(C[NH+]3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)ccc21 ZINC001141141005 1025509608 /nfs/dbraw/zinc/50/96/08/1025509608.db2.gz NXCKIRVLMZCCEU-IAGOWNOFSA-N 1 0 370.522 2.536 20 10 FFCDRO CC(C)[N@@H+]1CCOC[C@]2(CCCN(Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141142143 1025511400 /nfs/dbraw/zinc/51/14/00/1025511400.db2.gz HDYIUGRTOUFXJY-QFIPXVFZSA-N 1 0 373.541 2.838 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)ccc21 ZINC001141142070 1025511916 /nfs/dbraw/zinc/51/19/16/1025511916.db2.gz DVEAFQOFKRGNOO-IRXDYDNUSA-N 1 0 373.497 2.956 20 10 FFCDRO COc1ccc(OC2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)nc1 ZINC001141145844 1025522586 /nfs/dbraw/zinc/52/25/86/1025522586.db2.gz IUIKLYMGXKDWLV-UHFFFAOYSA-N 1 0 369.465 2.962 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1c1ccccc1 ZINC001141146440 1025525087 /nfs/dbraw/zinc/52/50/87/1025525087.db2.gz VKTRELNKFAVJCY-RTBURBONSA-N 1 0 366.461 2.904 20 10 FFCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)N1Cc1ccncc1 ZINC001141157268 1025538343 /nfs/dbraw/zinc/53/83/43/1025538343.db2.gz FTZZHCWFOUDKCR-NRFANRHFSA-N 1 0 367.449 2.650 20 10 FFCDRO CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837183925 1025638732 /nfs/dbraw/zinc/63/87/32/1025638732.db2.gz OXEMQJOXEIPMQV-HYXAFXHYSA-N 1 0 372.387 2.986 20 10 FFCDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000837882055 1026084499 /nfs/dbraw/zinc/08/44/99/1026084499.db2.gz IKYIAOSSCAMNRX-ZWKOTPCHSA-N 1 0 374.529 2.710 20 10 FFCDRO Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC[NH+](C)C ZINC000838179972 1026245879 /nfs/dbraw/zinc/24/58/79/1026245879.db2.gz JVCPLGJWQAVRGV-WEVVVXLNSA-N 1 0 356.422 2.999 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)cc2F)CC1 ZINC000838334951 1026320836 /nfs/dbraw/zinc/32/08/36/1026320836.db2.gz BUDMYIVCZBOLJK-ZIFCJYIRSA-N 1 0 374.504 2.955 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)c1 ZINC000840110862 1026959792 /nfs/dbraw/zinc/95/97/92/1026959792.db2.gz UXLHJYUELPWTHM-UHFFFAOYSA-N 1 0 373.453 2.920 20 10 FFCDRO CC(=O)OCc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC001141787820 1026984692 /nfs/dbraw/zinc/98/46/92/1026984692.db2.gz XZVWSCHDDKGUQT-UHFFFAOYSA-N 1 0 358.438 2.811 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000840321810 1027048493 /nfs/dbraw/zinc/04/84/93/1027048493.db2.gz OUHWPGYVDHPAJQ-GUXCAODWSA-N 1 0 358.530 2.774 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)[C@@H]3CCCC[C@H]31)cc2=O ZINC000248413777 1027608148 /nfs/dbraw/zinc/60/81/48/1027608148.db2.gz GJUJRKPTIZJELJ-DUVNUKRYSA-N 1 0 358.442 2.622 20 10 FFCDRO COCc1ccnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160618962 1027776909 /nfs/dbraw/zinc/77/69/09/1027776909.db2.gz NZWPHOVGPBCPEY-RTBURBONSA-N 1 0 366.421 2.887 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000248711724 1027782613 /nfs/dbraw/zinc/78/26/13/1027782613.db2.gz BJSNNZDFGNJTPV-CRAIPNDOSA-N 1 0 369.465 2.721 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccccc2O)[C@H](c2cnn(C)c2)C1 ZINC000827960222 1028877089 /nfs/dbraw/zinc/87/70/89/1028877089.db2.gz LCBFALZMYWZGDV-IPELMVKDSA-N 1 0 370.497 2.817 20 10 FFCDRO COCc1ccnc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC001156261349 1029116119 /nfs/dbraw/zinc/11/61/19/1029116119.db2.gz TVVPTUFBBXEGOA-UHFFFAOYSA-N 1 0 370.497 2.861 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(Cl)cnn3)CC2)cc1 ZINC001164328563 1029246720 /nfs/dbraw/zinc/24/67/20/1029246720.db2.gz XKPQOTBDVMXNBD-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO CCc1nc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)ncc1F ZINC001164330095 1029248224 /nfs/dbraw/zinc/24/82/24/1029248224.db2.gz JUSJEISVKDYXRV-UHFFFAOYSA-N 1 0 373.476 2.811 20 10 FFCDRO COC(=O)c1ccc(C)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656170 1029290108 /nfs/dbraw/zinc/29/01/08/1029290108.db2.gz QXWMDRGPGZJHFC-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO COC(=O)c1cc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656381 1029291261 /nfs/dbraw/zinc/29/12/61/1029291261.db2.gz RKGDDGRUFMSXJL-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3cnc(Cl)nc3)cc2)CC1 ZINC001156656125 1029291780 /nfs/dbraw/zinc/29/17/80/1029291780.db2.gz PCRUOECMEDEUQE-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(N4CCCCC4)n3)cc2)CC1 ZINC001156656891 1029292018 /nfs/dbraw/zinc/29/20/18/1029292018.db2.gz AORLSZZUPJSQFX-UHFFFAOYSA-N 1 0 366.513 2.831 20 10 FFCDRO CC(C)n1cnc2cnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC001156658779 1029292496 /nfs/dbraw/zinc/29/24/96/1029292496.db2.gz ZSORZYBNTQXGBY-UHFFFAOYSA-N 1 0 365.485 2.771 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(-c4cccnc4)n3)cc2)CC1 ZINC001156658047 1029293574 /nfs/dbraw/zinc/29/35/74/1029293574.db2.gz RJLJBXPTKKBFAM-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3NC4(CC4)C(=O)N3c3ccccc3)cc2)CC1 ZINC000840829172 1029890726 /nfs/dbraw/zinc/89/07/26/1029890726.db2.gz VUKKBPUPXOSALG-HXUWFJFHSA-N 1 0 362.477 2.606 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000840929647 1029930019 /nfs/dbraw/zinc/93/00/19/1029930019.db2.gz DUVOWYAYBKALKP-QGZVFWFLSA-N 1 0 354.498 2.971 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000840936983 1029934356 /nfs/dbraw/zinc/93/43/56/1029934356.db2.gz PONJBEXQJCXIGY-INIZCTEOSA-N 1 0 350.466 2.949 20 10 FFCDRO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840956376 1029944097 /nfs/dbraw/zinc/94/40/97/1029944097.db2.gz SGINWZSMYQOYNU-RXVVDRJESA-N 1 0 356.441 2.970 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C(=O)[O-])c3)cc2F)CC1 ZINC000840994508 1029965732 /nfs/dbraw/zinc/96/57/32/1029965732.db2.gz AXHLDBUTNVYSPY-UHFFFAOYSA-N 1 0 371.456 2.956 20 10 FFCDRO COc1c(O)c(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000841047226 1030002621 /nfs/dbraw/zinc/00/26/21/1030002621.db2.gz MGPPRNPFBJMNNP-NSHDSACASA-N 1 0 361.373 2.946 20 10 FFCDRO Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000841104719 1030039615 /nfs/dbraw/zinc/03/96/15/1030039615.db2.gz YKXOBPHWFWRQNK-UHFFFAOYSA-N 1 0 366.465 2.889 20 10 FFCDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841160074 1030082863 /nfs/dbraw/zinc/08/28/63/1030082863.db2.gz AMEFRRILCBLYDX-CQSZACIVSA-N 1 0 351.410 2.861 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1ccccc1O ZINC000783521332 1030135498 /nfs/dbraw/zinc/13/54/98/1030135498.db2.gz VUCZXYYVSVKDMU-NZSAHSFTSA-N 1 0 365.477 2.642 20 10 FFCDRO [NH3+]Cc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000841304383 1030175572 /nfs/dbraw/zinc/17/55/72/1030175572.db2.gz KFQSPNBVVJSWMT-UHFFFAOYSA-N 1 0 372.444 2.567 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]2)c1 ZINC000697570012 1030294706 /nfs/dbraw/zinc/29/47/06/1030294706.db2.gz RLVHRJKUXLMVNE-UHFFFAOYSA-N 1 0 374.441 2.511 20 10 FFCDRO Nc1ccc(CCNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000841676042 1030395084 /nfs/dbraw/zinc/39/50/84/1030395084.db2.gz MJECHVCMLHDDJU-UHFFFAOYSA-N 1 0 366.509 2.818 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000841793557 1030470295 /nfs/dbraw/zinc/47/02/95/1030470295.db2.gz NBJYSCPKABSUON-UYAOXDASSA-N 1 0 356.514 2.816 20 10 FFCDRO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843706 1030498224 /nfs/dbraw/zinc/49/82/24/1030498224.db2.gz MIZAUQQFOUDLND-ZIAGYGMSSA-N 1 0 370.444 2.683 20 10 FFCDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841963137 1030562157 /nfs/dbraw/zinc/56/21/57/1030562157.db2.gz XGSUKJYGLKEKSB-UHFFFAOYSA-N 1 0 356.470 2.710 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCCC1 ZINC000841986643 1030569307 /nfs/dbraw/zinc/56/93/07/1030569307.db2.gz MVEPOUGUEDNFBT-QZTJIDSGSA-N 1 0 361.486 2.600 20 10 FFCDRO CN(Cc1cccnc1)[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H]2CCCO[C@H]12 ZINC001203552224 1030760945 /nfs/dbraw/zinc/76/09/45/1030760945.db2.gz FRMWWRZDFXSXRM-SBHAEUEKSA-N 1 0 353.466 2.651 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001203551950 1030761361 /nfs/dbraw/zinc/76/13/61/1030761361.db2.gz UQPDYSKSRMUVQI-INIZCTEOSA-N 1 0 350.422 2.695 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1O ZINC001203591305 1030776904 /nfs/dbraw/zinc/77/69/04/1030776904.db2.gz GWKAGOHSBQXDPE-GHTZIAJQSA-N 1 0 370.449 2.998 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)c1O ZINC001203608353 1030782416 /nfs/dbraw/zinc/78/24/16/1030782416.db2.gz MUEPTUNCOZYXLM-HOTGVXAUSA-N 1 0 356.422 2.588 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001203608034 1030784800 /nfs/dbraw/zinc/78/48/00/1030784800.db2.gz GSPIBMPSJNTILL-NRFANRHFSA-N 1 0 367.449 2.815 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c1O ZINC001203617873 1030788241 /nfs/dbraw/zinc/78/82/41/1030788241.db2.gz WMJWSLCNJCEHPQ-UHFFFAOYSA-N 1 0 361.486 2.951 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c(O)c1 ZINC001203622901 1030792397 /nfs/dbraw/zinc/79/23/97/1030792397.db2.gz DYJRTOQYXSXSKC-SFHLNBCPSA-N 1 0 370.449 2.997 20 10 FFCDRO COc1ccc(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)c(O)c1 ZINC001203628752 1030795791 /nfs/dbraw/zinc/79/57/91/1030795791.db2.gz FCBXFBOERRZSFU-UHFFFAOYSA-N 1 0 352.434 2.955 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1C(F)(F)F ZINC001203636683 1030799136 /nfs/dbraw/zinc/79/91/36/1030799136.db2.gz ZUOFHNRQJSIYRA-KOLCDFICSA-N 1 0 354.166 2.757 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C(=O)OC(C)(C)C ZINC000842616189 1030824643 /nfs/dbraw/zinc/82/46/43/1030824643.db2.gz PUQHKFNINNQCRX-SRCQZFHVSA-N 1 0 363.454 2.618 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)Cc1ccc(OC)c(F)c1 ZINC000842718279 1030921359 /nfs/dbraw/zinc/92/13/59/1030921359.db2.gz KXDZLKLOZXWQCI-QGZVFWFLSA-N 1 0 374.456 2.846 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001203878407 1030951993 /nfs/dbraw/zinc/95/19/93/1030951993.db2.gz TXZHUEVDOXIQNT-CTNGQTDRSA-N 1 0 370.449 2.943 20 10 FFCDRO CN1CC[C@@]2(C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2c2ccccc2)C1=O ZINC001203877607 1030953030 /nfs/dbraw/zinc/95/30/30/1030953030.db2.gz TYRIBPUJPOSRRL-UTKZUKDTSA-N 1 0 352.434 2.546 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]2c2ccccc2)C1=O ZINC001203877723 1030953243 /nfs/dbraw/zinc/95/32/43/1030953243.db2.gz WTKWZQMWYQFDQF-GCJKJVERSA-N 1 0 366.461 2.936 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1O ZINC001203877874 1030953883 /nfs/dbraw/zinc/95/38/83/1030953883.db2.gz YFVGOEXVWDHHTN-AEFFLSMTSA-N 1 0 358.413 2.574 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203931397 1030990625 /nfs/dbraw/zinc/99/06/25/1030990625.db2.gz GVJXSCOENJHHTQ-IFMALSPDSA-N 1 0 357.542 2.933 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3C3CC3)cc2F)CC1 ZINC000797452082 1031114876 /nfs/dbraw/zinc/11/48/76/1031114876.db2.gz UZRWHZCYJHXRNL-FUHWJXTLSA-N 1 0 360.477 2.565 20 10 FFCDRO O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccc(O)cc1O ZINC001204274593 1031201786 /nfs/dbraw/zinc/20/17/86/1031201786.db2.gz QBDCKQOHQGOPAQ-NRFANRHFSA-N 1 0 367.449 2.650 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)N1Cc1ccncc1 ZINC001204274023 1031202035 /nfs/dbraw/zinc/20/20/35/1031202035.db2.gz YQONFLHORIIDLW-OAQYLSRUSA-N 1 0 367.449 2.650 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001204336291 1031235965 /nfs/dbraw/zinc/23/59/65/1031235965.db2.gz LJLDGWMABRGYEN-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc(O)c1O ZINC001204346046 1031243481 /nfs/dbraw/zinc/24/34/81/1031243481.db2.gz KIMRJIIVUFYGFH-APWZRJJASA-N 1 0 370.449 2.730 20 10 FFCDRO COc1cnc(N2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)nc1 ZINC001143117131 1031247620 /nfs/dbraw/zinc/24/76/20/1031247620.db2.gz UYHWSOMOFRLOFY-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184353 1031331423 /nfs/dbraw/zinc/33/14/23/1031331423.db2.gz UAYNTHSNCOEHEZ-CHWSQXEVSA-N 1 0 373.419 2.649 20 10 FFCDRO COc1ccccc1[C@@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350458 1031345410 /nfs/dbraw/zinc/34/54/10/1031345410.db2.gz RHPAGHWCRNWCPR-OAHLLOKOSA-N 1 0 353.466 2.784 20 10 FFCDRO C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000799980212 1031941412 /nfs/dbraw/zinc/94/14/12/1031941412.db2.gz MWDOUYGPMBWVQP-CBGDNZLLSA-N 1 0 371.525 2.648 20 10 FFCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cccc(I)c2O)C1 ZINC001205851939 1032031014 /nfs/dbraw/zinc/03/10/14/1032031014.db2.gz DDMZRNXKTSSUMG-CMPLNLGQSA-N 1 0 360.239 2.556 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)cc2)CC1 ZINC000830051523 1033442798 /nfs/dbraw/zinc/44/27/98/1033442798.db2.gz AHGADJUGNMHTPW-VXKWHMMOSA-N 1 0 374.525 2.712 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1O ZINC000830207769 1033508979 /nfs/dbraw/zinc/50/89/79/1033508979.db2.gz NNWKSCIUEKVBMF-MRXNPFEDSA-N 1 0 370.424 2.872 20 10 FFCDRO CCSCC[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276927957 1033621813 /nfs/dbraw/zinc/62/18/13/1033621813.db2.gz XPIRILJXNHIWCC-HXUWFJFHSA-N 1 0 361.555 2.930 20 10 FFCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)NCCC3(O)C[NH2+]C3)c2)cc1 ZINC001219697616 1033762672 /nfs/dbraw/zinc/76/26/72/1033762672.db2.gz VPWSJCSGUMDNHZ-UHFFFAOYSA-N 1 0 367.453 2.622 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)cc2)CC1 ZINC000830822344 1033803417 /nfs/dbraw/zinc/80/34/17/1033803417.db2.gz GJOWXZVAOVIURB-UZKOGDIHSA-N 1 0 374.525 2.664 20 10 FFCDRO C[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000831139455 1033964683 /nfs/dbraw/zinc/96/46/83/1033964683.db2.gz CLLGDBLGTWEYFF-FQEVSTJZSA-N 1 0 358.413 2.879 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3c(C)n(C)c4ccccc43)C2)C1=O ZINC001138255521 1034024172 /nfs/dbraw/zinc/02/41/72/1034024172.db2.gz KCVKAHQDZYHUBC-JOCHJYFZSA-N 1 0 369.509 2.948 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000831322350 1034036517 /nfs/dbraw/zinc/03/65/17/1034036517.db2.gz VFLKBKCRVIHFRJ-MISYRCLQSA-N 1 0 359.514 2.504 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277025635 1034168859 /nfs/dbraw/zinc/16/88/59/1034168859.db2.gz GALDONJIAITBJC-VBKZILBWSA-N 1 0 362.445 2.774 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)CC2)O1 ZINC001138339410 1034170215 /nfs/dbraw/zinc/17/02/15/1034170215.db2.gz DMGPDHSTXMNTQX-UHFFFAOYSA-N 1 0 356.466 2.763 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1O ZINC001277026569 1034173042 /nfs/dbraw/zinc/17/30/42/1034173042.db2.gz UBIUWKPXYBOZIL-ZIAGYGMSSA-N 1 0 360.351 2.967 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)O1 ZINC001138340929 1034173021 /nfs/dbraw/zinc/17/30/21/1034173021.db2.gz BZXIJJCBUXFIPO-OAQYLSRUSA-N 1 0 356.466 2.763 20 10 FFCDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000831654719 1034181720 /nfs/dbraw/zinc/18/17/20/1034181720.db2.gz LIIBOLUYCADJGQ-TZIWHRDSSA-N 1 0 363.546 2.590 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)c1 ZINC001138359175 1034195400 /nfs/dbraw/zinc/19/54/00/1034195400.db2.gz MAHDSDJQDFVNCG-UHFFFAOYSA-N 1 0 352.482 2.795 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](NC(=O)N4CCCC4)C3)ccc21 ZINC001138359558 1034197024 /nfs/dbraw/zinc/19/70/24/1034197024.db2.gz UGYDGENLGQAWIO-LJQANCHMSA-N 1 0 356.514 2.839 20 10 FFCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)c(OC)c1 ZINC001138389430 1034225120 /nfs/dbraw/zinc/22/51/20/1034225120.db2.gz OTQQOXSCHXRNDZ-GHTZIAJQSA-N 1 0 361.530 2.694 20 10 FFCDRO c1ccc(C[N@H+]2CCC23CN(Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC001138499114 1034338284 /nfs/dbraw/zinc/33/82/84/1034338284.db2.gz XRWPANUUSPMISA-UHFFFAOYSA-N 1 0 363.505 2.984 20 10 FFCDRO Cc1cc(O[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC001138499789 1034343023 /nfs/dbraw/zinc/34/30/23/1034343023.db2.gz JHIMDCJWOLTFQG-HXUWFJFHSA-N 1 0 368.481 2.665 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000832272940 1034693813 /nfs/dbraw/zinc/69/38/13/1034693813.db2.gz KFUDFTKSBNHWTB-APWZRJJASA-N 1 0 353.466 2.825 20 10 FFCDRO COc1ccc(C(=O)CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832278484 1034697147 /nfs/dbraw/zinc/69/71/47/1034697147.db2.gz CWRUWTYGXHYPAW-LJQANCHMSA-N 1 0 369.465 2.540 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2ncc(C(C)(C)C)o2)cc1 ZINC000832284042 1034700909 /nfs/dbraw/zinc/70/09/09/1034700909.db2.gz HACFLNMEZKFFKH-MRXNPFEDSA-N 1 0 358.486 2.787 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139673728 1035194339 /nfs/dbraw/zinc/19/43/39/1035194339.db2.gz WMDCNKCSUTUYIP-SJLPKXTDSA-N 1 0 363.502 2.521 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO[C@@H]2C1 ZINC001140058307 1035326095 /nfs/dbraw/zinc/32/60/95/1035326095.db2.gz WUILBFYEXZAFKN-WMLDXEAASA-N 1 0 366.433 2.599 20 10 FFCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cccc1Br ZINC001140099726 1035341626 /nfs/dbraw/zinc/34/16/26/1035341626.db2.gz RCIHFFXCKBMFLK-INIZCTEOSA-N 1 0 353.260 2.742 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)c1O ZINC001140180124 1035369903 /nfs/dbraw/zinc/36/99/03/1035369903.db2.gz BRVAYWSJYLYFJX-RTBURBONSA-N 1 0 370.424 2.764 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2)C1 ZINC000834523251 1035403630 /nfs/dbraw/zinc/40/36/30/1035403630.db2.gz QSCCKFVMOHVBLO-IEBWSBKVSA-N 1 0 365.477 2.871 20 10 FFCDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140283269 1035418124 /nfs/dbraw/zinc/41/81/24/1035418124.db2.gz QWZDAWKECXMPSI-GOSISDBHSA-N 1 0 360.498 2.813 20 10 FFCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140287068 1035419465 /nfs/dbraw/zinc/41/94/65/1035419465.db2.gz HGERKMLWYKDESD-UHFFFAOYSA-N 1 0 373.541 2.727 20 10 FFCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140286862 1035419608 /nfs/dbraw/zinc/41/96/08/1035419608.db2.gz UBVHIUYWVDAMGR-JOCHJYFZSA-N 1 0 371.525 2.625 20 10 FFCDRO O=C(N[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001140340679 1035444568 /nfs/dbraw/zinc/44/45/68/1035444568.db2.gz ZUWOYZNOGBFDKK-XCRHUMRWSA-N 1 0 364.873 2.551 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1c(O)cccc1Cl ZINC001140342021 1035444896 /nfs/dbraw/zinc/44/48/96/1035444896.db2.gz OPNXILJXHUPBIM-UHFFFAOYSA-N 1 0 357.834 2.754 20 10 FFCDRO O=C(c1cccnc1)N1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140344966 1035446775 /nfs/dbraw/zinc/44/67/75/1035446775.db2.gz OICKPBFSHLTCAV-GASCZTMLSA-N 1 0 357.841 2.645 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464735 1035485490 /nfs/dbraw/zinc/48/54/90/1035485490.db2.gz AFRMWFHFZBFFDQ-UHFFFAOYSA-N 1 0 352.862 2.649 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001140466849 1035486472 /nfs/dbraw/zinc/48/64/72/1035486472.db2.gz JRQWUCCCFNHEKM-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000835041727 1035492274 /nfs/dbraw/zinc/49/22/74/1035492274.db2.gz ABPJWXUNYNJYNJ-VGOKWCNXSA-N 1 0 368.403 2.539 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000835048314 1035492389 /nfs/dbraw/zinc/49/23/89/1035492389.db2.gz QAYZZZZGFBQYKT-QLPSFHHPSA-N 1 0 350.466 2.946 20 10 FFCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000835055598 1035494304 /nfs/dbraw/zinc/49/43/04/1035494304.db2.gz XAAQXJXZGBRHES-LKGOPFMKSA-N 1 0 363.502 2.583 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(F)CN(Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204741 1035529733 /nfs/dbraw/zinc/52/97/33/1035529733.db2.gz VTJNHUFXSNYELC-ZOCIIQOWSA-N 1 0 352.425 2.882 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)c(O)c1 ZINC001277204761 1035530421 /nfs/dbraw/zinc/53/04/21/1035530421.db2.gz WKLGPXLBHFOEDU-NRFANRHFSA-N 1 0 358.482 2.612 20 10 FFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(OC)cc1O)C2 ZINC001232268115 1035537629 /nfs/dbraw/zinc/53/76/29/1035537629.db2.gz MFYONQJBYOVBQG-SJLPKXTDSA-N 1 0 369.845 2.598 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277211928 1035568555 /nfs/dbraw/zinc/56/85/55/1035568555.db2.gz CGRJABUCPKRZIY-DJJJIMSYSA-N 1 0 364.873 2.756 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1 ZINC001140624065 1035753176 /nfs/dbraw/zinc/75/31/76/1035753176.db2.gz FCJQZAHIWUKFOX-HXUWFJFHSA-N 1 0 362.470 2.912 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140661372 1035811551 /nfs/dbraw/zinc/81/15/51/1035811551.db2.gz CAPDMGZGEJGUIT-LJQANCHMSA-N 1 0 357.429 2.711 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c1O ZINC001140747899 1036044016 /nfs/dbraw/zinc/04/40/16/1036044016.db2.gz CLHONNPRLJDWRS-UHFFFAOYSA-N 1 0 370.497 2.770 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1O ZINC001140748245 1036047573 /nfs/dbraw/zinc/04/75/73/1036047573.db2.gz HXVKWDUEGXUGSH-UHFFFAOYSA-N 1 0 362.433 2.859 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001140749522 1036053666 /nfs/dbraw/zinc/05/36/66/1036053666.db2.gz CQGCFGKIXJKLJJ-GFCCVEGCSA-N 1 0 369.343 2.868 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(O)c1 ZINC001232834126 1036088405 /nfs/dbraw/zinc/08/84/05/1036088405.db2.gz HMMJIALPDGDKPW-UHFFFAOYSA-N 1 0 352.438 2.922 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)c(O)c1 ZINC001232840802 1036097787 /nfs/dbraw/zinc/09/77/87/1036097787.db2.gz JRXACCKIDJUBBH-UHFFFAOYSA-N 1 0 362.861 2.945 20 10 FFCDRO C[N@@H+](Cc1cc(O)c(O)c(O)c1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233011641 1036246553 /nfs/dbraw/zinc/24/65/53/1036246553.db2.gz AQJSLYFZAUHULQ-UHFFFAOYSA-N 1 0 366.458 2.882 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c([O-])cc(Br)cc3F)CC[C@H]21 ZINC001233033944 1036275365 /nfs/dbraw/zinc/27/53/65/1036275365.db2.gz YWDAKUXNRVSMOU-QMTHXVAHSA-N 1 0 371.250 2.737 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c(O)c1 ZINC001140855473 1036292137 /nfs/dbraw/zinc/29/21/37/1036292137.db2.gz ANYLCGKVOCFBEV-UHFFFAOYSA-N 1 0 355.486 2.741 20 10 FFCDRO C[C@@]1(O)COCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233194311 1036432973 /nfs/dbraw/zinc/43/29/73/1036432973.db2.gz QZQZUPVGSBKASN-KRWDZBQOSA-N 1 0 366.255 2.891 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cccc(O)c3OC)CC2)cc1 ZINC001233257417 1036469207 /nfs/dbraw/zinc/46/92/07/1036469207.db2.gz HAMOKFBXKVBHON-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c1 ZINC001233287406 1036492907 /nfs/dbraw/zinc/49/29/07/1036492907.db2.gz ORVMEECUILJHEQ-ZWKOTPCHSA-N 1 0 350.478 2.934 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c1O ZINC001233290872 1036495159 /nfs/dbraw/zinc/49/51/59/1036495159.db2.gz AOBOMALKRFIQFT-CYBMUJFWSA-N 1 0 353.781 2.637 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140948738 1036541944 /nfs/dbraw/zinc/54/19/44/1036541944.db2.gz YEPGXJLACJRNFB-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)c(O)c1 ZINC001140949369 1036543572 /nfs/dbraw/zinc/54/35/72/1036543572.db2.gz ACCFBGBRKRMGHG-GASCZTMLSA-N 1 0 357.479 2.751 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233452694 1036633030 /nfs/dbraw/zinc/63/30/30/1036633030.db2.gz HHASLWXLKKJJCL-CYBMUJFWSA-N 1 0 368.403 2.801 20 10 FFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455172 1036634391 /nfs/dbraw/zinc/63/43/91/1036634391.db2.gz ZOYXGXAHCJQHIL-CQSZACIVSA-N 1 0 360.376 2.528 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233483427 1036650499 /nfs/dbraw/zinc/65/04/99/1036650499.db2.gz YXKAXCWMRTYLJD-LJQANCHMSA-N 1 0 364.442 2.779 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cc1O ZINC001233484016 1036651318 /nfs/dbraw/zinc/65/13/18/1036651318.db2.gz VFOPCGNWKVZZMW-UWJYYQICSA-N 1 0 370.449 2.811 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233484793 1036653370 /nfs/dbraw/zinc/65/33/70/1036653370.db2.gz XPWQZWQSENTJMD-FPOVZHCZSA-N 1 0 374.481 2.949 20 10 FFCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486833 1036655532 /nfs/dbraw/zinc/65/55/32/1036655532.db2.gz FGKGMFXJUHYWSE-UHFFFAOYSA-N 1 0 357.410 2.590 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486682 1036656111 /nfs/dbraw/zinc/65/61/11/1036656111.db2.gz XTZCPLHBTPBOOG-DGCLKSJQSA-N 1 0 352.431 2.539 20 10 FFCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(OC(F)(F)F)c1O ZINC001233745639 1036742118 /nfs/dbraw/zinc/74/21/18/1036742118.db2.gz NDXXHUJQBKPELS-MRXNPFEDSA-N 1 0 358.360 2.878 20 10 FFCDRO Oc1c(CN2CC[NH+](C3CCOCC3)CC2)cccc1OC(F)(F)F ZINC001233755243 1036749171 /nfs/dbraw/zinc/74/91/71/1036749171.db2.gz SLTXHIDARXXEOQ-UHFFFAOYSA-N 1 0 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COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3cccc(C)c3)CCO2)c1 ZINC001207173750 1037227503 /nfs/dbraw/zinc/22/75/03/1037227503.db2.gz BKKXVWKFRXVOTK-FQEVSTJZSA-N 1 0 356.466 2.700 20 10 FFCDRO Cc1cc(O)c(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1Br ZINC001235405117 1037529602 /nfs/dbraw/zinc/52/96/02/1037529602.db2.gz NUFGJIFWNXJVHJ-JKSUJKDBSA-N 1 0 357.267 2.987 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c(O)c1 ZINC001277943942 1037539511 /nfs/dbraw/zinc/53/95/11/1037539511.db2.gz DTVBIHCFSOEDPU-UHFFFAOYSA-N 1 0 367.440 2.538 20 10 FFCDRO COc1ccc(Br)c(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001231556024 1037680193 /nfs/dbraw/zinc/68/01/93/1037680193.db2.gz XLMFBZDRARWPDL-BXUZGUMPSA-N 1 0 355.276 2.689 20 10 FFCDRO O=C(CC1CC1)N[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H]2COC[C@H]12 ZINC001231587537 1037706959 /nfs/dbraw/zinc/70/69/59/1037706959.db2.gz MLHITXXYKNSMOA-VAMGGRTRSA-N 1 0 366.461 2.661 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(C)c3O)CC2)C1 ZINC001231592829 1037712131 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355.438 2.791 20 10 FFCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(I)c1O ZINC001236136099 1037945629 /nfs/dbraw/zinc/94/56/29/1037945629.db2.gz VMQDVYLMKSKGDK-GFCCVEGCSA-N 1 0 360.239 2.571 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CCC3(CCN(S(C)(=O)=O)CC3)CC2)c(O)c1 ZINC001231850894 1037945858 /nfs/dbraw/zinc/94/58/58/1037945858.db2.gz WAUDGJOZIFBBCM-UHFFFAOYSA-N 1 0 366.527 2.647 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001231853645 1037950302 /nfs/dbraw/zinc/95/03/02/1037950302.db2.gz YMZKEYVZMAMTOG-SFHVURJKSA-N 1 0 359.514 2.986 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001231857685 1037956958 /nfs/dbraw/zinc/95/69/58/1037956958.db2.gz MZICGGHNLJIIEL-UHFFFAOYSA-N 1 0 371.525 2.986 20 10 FFCDRO CCN1C[C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]2S1(=O)=O ZINC001231879152 1037973718 /nfs/dbraw/zinc/97/37/18/1037973718.db2.gz WXRYCHBZMXOWNE-VQIMIIECSA-N 1 0 374.506 2.791 20 10 FFCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]21 ZINC001231880335 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COc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236755123 1038242727 /nfs/dbraw/zinc/24/27/27/1038242727.db2.gz ZIUYGIFRWWWCPE-HNNXBMFYSA-N 1 0 374.437 2.856 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001236786216 1038266895 /nfs/dbraw/zinc/26/68/95/1038266895.db2.gz SPJBUHKUWCMZJD-HXUWFJFHSA-N 1 0 368.477 2.878 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)c(O)c1 ZINC001236789839 1038270519 /nfs/dbraw/zinc/27/05/19/1038270519.db2.gz TXKKCFXUDWVMGR-YFVAEKQCSA-N 1 0 372.509 2.850 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c(O)c1 ZINC001236788837 1038271898 /nfs/dbraw/zinc/27/18/98/1038271898.db2.gz PKNYQBUBXQXCGS-NRFANRHFSA-N 1 0 360.498 2.804 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001236810427 1038285029 /nfs/dbraw/zinc/28/50/29/1038285029.db2.gz XMPDTLZLMDGLNW-KBAYOESNSA-N 1 0 359.426 2.895 20 10 FFCDRO COc1cc(C)c(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c(O)c1 ZINC001236810736 1038285837 /nfs/dbraw/zinc/28/58/37/1038285837.db2.gz JGHMMMAUYRVXFK-GGPHIMKMSA-N 1 0 370.449 2.687 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(O)c1 ZINC001236812427 1038286028 /nfs/dbraw/zinc/28/60/28/1038286028.db2.gz ADKANNPAPDYEAM-INIZCTEOSA-N 1 0 352.434 2.940 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC3CC2(C(=O)NCc2ccco2)C3)c(O)c1 ZINC001236812092 1038287026 /nfs/dbraw/zinc/28/70/26/1038287026.db2.gz VTXWDIUSWJJNLX-UHFFFAOYSA-N 1 0 356.422 2.583 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC[NH+](CC4CCCC4)CC3)c(F)c2)CC1 ZINC001236934116 1038364772 /nfs/dbraw/zinc/36/47/72/1038364772.db2.gz CTIUTYPYEYFILG-UHFFFAOYSA-N 1 0 374.548 2.885 20 10 FFCDRO CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001278043166 1038412637 /nfs/dbraw/zinc/41/26/37/1038412637.db2.gz OLRKQTWJPJAYSY-UHFFFAOYSA-N 1 0 362.470 2.808 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001237048874 1038424241 /nfs/dbraw/zinc/42/42/41/1038424241.db2.gz YVXLMCSVQFZJNO-IBGZPJMESA-N 1 0 370.449 2.933 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C1=O ZINC001237049408 1038424336 /nfs/dbraw/zinc/42/43/36/1038424336.db2.gz WIYJIUBXEPNLGQ-UHFFFAOYSA-N 1 0 360.498 2.977 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1C(F)(F)F ZINC001237053437 1038425617 /nfs/dbraw/zinc/42/56/17/1038425617.db2.gz LPBIRMYABKDKRJ-PWSUYJOCSA-N 1 0 373.293 2.936 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC12CC2 ZINC001237058695 1038427185 /nfs/dbraw/zinc/42/71/85/1038427185.db2.gz BECSFHQBEIPDLM-CYBMUJFWSA-N 1 0 359.344 2.718 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC12CC2 ZINC001237058701 1038427302 /nfs/dbraw/zinc/42/73/02/1038427302.db2.gz BECSFHQBEIPDLM-ZDUSSCGKSA-N 1 0 359.344 2.718 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1)C1CC1 ZINC001237062952 1038429717 /nfs/dbraw/zinc/42/97/17/1038429717.db2.gz QSAUZHKCUVIVQC-CQSZACIVSA-N 1 0 372.387 2.824 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c(Br)c1 ZINC001237067348 1038432674 /nfs/dbraw/zinc/43/26/74/1038432674.db2.gz IHKQTGFJAMDXBF-LBPRGKRZSA-N 1 0 371.275 2.606 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237074041 1038436222 /nfs/dbraw/zinc/43/62/22/1038436222.db2.gz ZCWZDASMGIOIKK-GHMZBOCLSA-N 1 0 372.259 2.794 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3c(O)cccc3OC(F)(F)F)C[C@H]2CN1CC1CC1 ZINC001237117011 1038447530 /nfs/dbraw/zinc/44/75/30/1038447530.db2.gz NMLIBOBPDNFADL-STQMWFEESA-N 1 0 370.371 2.591 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001237126118 1038451936 /nfs/dbraw/zinc/45/19/36/1038451936.db2.gz USPOSOLWYWDATC-LLVKDONJSA-N 1 0 373.306 2.873 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1OCCO ZINC001237200321 1038475114 /nfs/dbraw/zinc/47/51/14/1038475114.db2.gz ZYZKUYAYDPHLAG-UHFFFAOYSA-N 1 0 356.466 2.526 20 10 FFCDRO CC(C)(C)OC(=O)N1C(CN2CCc3cccc(O)c3C2)=CS[C@H]1N ZINC001208664220 1038477158 /nfs/dbraw/zinc/47/71/58/1038477158.db2.gz RSVBKZFECZBJJP-INIZCTEOSA-N 1 0 363.483 2.818 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001256452133 1038518027 /nfs/dbraw/zinc/51/80/27/1038518027.db2.gz KGWGHBSKRLKKSK-JSGCOSHPSA-N 1 0 366.458 2.724 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCN1Cc1ccccc1 ZINC001256528273 1038544785 /nfs/dbraw/zinc/54/47/85/1038544785.db2.gz YOBKHFXZKXQDSY-CRAIPNDOSA-N 1 0 356.466 2.989 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(C)c1 ZINC001251200873 1039007496 /nfs/dbraw/zinc/00/74/96/1039007496.db2.gz YSOOUOWSPDCFNE-SFHVURJKSA-N 1 0 356.466 2.566 20 10 FFCDRO COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC001537482460 1070192591 /nfs/dbraw/zinc/19/25/91/1070192591.db2.gz FORDDOUJUFOWID-LJQANCHMSA-N 1 0 373.472 2.862 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001278428937 1039233469 /nfs/dbraw/zinc/23/34/69/1039233469.db2.gz XPNQTITXLWQUJU-FQEVSTJZSA-N 1 0 357.454 2.620 20 10 FFCDRO CC(C)CN1C(=O)COCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276682892 1039502752 /nfs/dbraw/zinc/50/27/52/1039502752.db2.gz DGVZXOSXOJZDDS-UHFFFAOYSA-N 1 0 354.450 2.615 20 10 FFCDRO C[C@@H]1C[C@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001246998876 1039570650 /nfs/dbraw/zinc/57/06/50/1039570650.db2.gz HFFGQHCYSOSFQI-WIYYLYMNSA-N 1 0 366.509 2.923 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001278490143 1039839150 /nfs/dbraw/zinc/83/91/50/1039839150.db2.gz BALCLEPHNSBERY-IBGZPJMESA-N 1 0 368.905 2.954 20 10 FFCDRO Cc1ccc(CS(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001259267253 1039863087 /nfs/dbraw/zinc/86/30/87/1039863087.db2.gz FKTFLBRSLGEZLU-UHFFFAOYSA-N 1 0 374.506 2.785 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(C)C[NH2+]CC[C@@H]3O)n2)cc1 ZINC001247749525 1039931840 /nfs/dbraw/zinc/93/18/40/1039931840.db2.gz IFCAPIOJYPHUDE-PXNSSMCTSA-N 1 0 352.438 2.756 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(C)CC[NH2+]C[C@@H]3O)n2)cc1 ZINC001247828412 1039975989 /nfs/dbraw/zinc/97/59/89/1039975989.db2.gz ITANUGUDKPJBKV-PXNSSMCTSA-N 1 0 352.438 2.756 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]Cc2cccc(O)c2O)cc1 ZINC001253433457 1040180898 /nfs/dbraw/zinc/18/08/98/1040180898.db2.gz GJTNHKPDTRORII-KRWDZBQOSA-N 1 0 373.449 2.703 20 10 FFCDRO COc1ccc(CNCc2nc(-c3ccc(F)c(OC)c3)no2)c(O)c1 ZINC001248252306 1040194196 /nfs/dbraw/zinc/19/41/96/1040194196.db2.gz LZKQGSRONGOMNT-UHFFFAOYSA-N 1 0 359.357 2.888 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c(O)c1 ZINC001249172658 1040613739 /nfs/dbraw/zinc/61/37/39/1040613739.db2.gz OWQACIYCDPIMRV-UHFFFAOYSA-N 1 0 354.450 2.738 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3OC)C2)c(O)c1 ZINC001249201596 1040626947 /nfs/dbraw/zinc/62/69/47/1040626947.db2.gz ZLDWHKYBLMGQRV-QGZVFWFLSA-N 1 0 371.433 2.770 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(O)c1 ZINC001249208641 1040629106 /nfs/dbraw/zinc/62/91/06/1040629106.db2.gz ZNLJSOODEBAPEK-PMACEKPBSA-N 1 0 366.461 2.566 20 10 FFCDRO CCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(CC(=O)OC)cc3O)C2)n1 ZINC001249207675 1040629299 /nfs/dbraw/zinc/62/92/99/1040629299.db2.gz GNDTXZVTYWBGLY-MRXNPFEDSA-N 1 0 373.453 2.823 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCN(c4cnccn4)CC3)ccc2O1 ZINC001249223461 1040638500 /nfs/dbraw/zinc/63/85/00/1040638500.db2.gz HBEVWIACZGITAK-UHFFFAOYSA-N 1 0 352.438 2.689 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249244762 1040645628 /nfs/dbraw/zinc/64/56/28/1040645628.db2.gz MLYJLLAKUSYQRX-OAHLLOKOSA-N 1 0 373.449 2.921 20 10 FFCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259413 1040655988 /nfs/dbraw/zinc/65/59/88/1040655988.db2.gz XGOLYLVQFMMXIB-OAHLLOKOSA-N 1 0 359.470 2.812 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001249725856 1040963574 /nfs/dbraw/zinc/96/35/74/1040963574.db2.gz RWYIHNZWBSAVJK-UHFFFAOYSA-N 1 0 364.486 2.640 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCC(C(C)=O)CC2)c(O)c1 ZINC001249738034 1040971377 /nfs/dbraw/zinc/97/13/77/1040971377.db2.gz OPSOLXOJAGGHFD-UHFFFAOYSA-N 1 0 363.454 2.915 20 10 FFCDRO Oc1ccc(CC[NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)cc1O ZINC001254993058 1041086034 /nfs/dbraw/zinc/08/60/34/1041086034.db2.gz GONJNVPBGGWXTA-IHWFROFDSA-N 1 0 368.477 2.662 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC001255039642 1041115419 /nfs/dbraw/zinc/11/54/19/1041115419.db2.gz NZGXBMARBHYQSF-OAQYLSRUSA-N 1 0 360.498 2.793 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(CN(C(=O)[C@H]4C=CCC=C4C)C3)C2)c1 ZINC001278569245 1041209774 /nfs/dbraw/zinc/20/97/74/1041209774.db2.gz SCEDVCSROMMNAG-SFHVURJKSA-N 1 0 354.450 2.567 20 10 FFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(Cl)ccc2O)n(C)n1 ZINC001278569386 1041212045 /nfs/dbraw/zinc/21/20/45/1041212045.db2.gz WGOZNAIAUSZTTO-CALCHBBNSA-N 1 0 360.889 2.936 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001261494273 1041267986 /nfs/dbraw/zinc/26/79/86/1041267986.db2.gz KPUWENHPYUCGAX-UHFFFAOYSA-N 1 0 355.482 2.592 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1O ZINC001262109591 1041563273 /nfs/dbraw/zinc/56/32/73/1041563273.db2.gz YGQNSXMCMVWFOA-UHFFFAOYSA-N 1 0 374.485 2.708 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001279333598 1043007813 /nfs/dbraw/zinc/00/78/13/1043007813.db2.gz HWOWQWVDHKJKAN-QAPCUYQASA-N 1 0 367.921 2.533 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c(O)c1 ZINC001279337493 1043010117 /nfs/dbraw/zinc/01/01/17/1043010117.db2.gz BENVZVYVQUREER-RDJZCZTQSA-N 1 0 358.404 2.928 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@H]21 ZINC001279338969 1043011526 /nfs/dbraw/zinc/01/15/26/1043011526.db2.gz SIHDEDWZITYFBJ-AEFFLSMTSA-N 1 0 359.495 2.551 20 10 FFCDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237215844 1043058876 /nfs/dbraw/zinc/05/88/76/1043058876.db2.gz PGXLNUFPKRHTJT-SAABIXHNSA-N 1 0 350.528 2.932 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001279430877 1043104920 /nfs/dbraw/zinc/10/49/20/1043104920.db2.gz WYMGUIZPUGDYGR-FPOVZHCZSA-N 1 0 359.514 2.589 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cc(Cl)ccc2O)c1 ZINC001237437240 1043161622 /nfs/dbraw/zinc/16/16/22/1043161622.db2.gz UEVIBYNESIBECE-KRWDZBQOSA-N 1 0 360.841 2.979 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279488175 1043173256 /nfs/dbraw/zinc/17/32/56/1043173256.db2.gz GANXKAMDLWLCSA-KGLIPLIRSA-N 1 0 362.424 2.593 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC001237487692 1043200697 /nfs/dbraw/zinc/20/06/97/1043200697.db2.gz LBOPBLLZJMMQRO-UHFFFAOYSA-N 1 0 354.450 2.805 20 10 FFCDRO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1c(C)cccc1O ZINC001237494706 1043206672 /nfs/dbraw/zinc/20/66/72/1043206672.db2.gz KVFFIGLKSHWABI-RDJZCZTQSA-N 1 0 350.459 2.767 20 10 FFCDRO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001279573750 1043280949 /nfs/dbraw/zinc/28/09/49/1043280949.db2.gz YVLWLPLQWBDZMY-UHFFFAOYSA-N 1 0 367.877 2.767 20 10 FFCDRO COc1cc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237669135 1043300290 /nfs/dbraw/zinc/30/02/90/1043300290.db2.gz IQTRPOBQONDYDY-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237681674 1043308047 /nfs/dbraw/zinc/30/80/47/1043308047.db2.gz KHLHDQVZEDXUEA-UHFFFAOYSA-N 1 0 355.276 2.906 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3ncc(C)cn3)C2)c(O)c(OC)c1 ZINC001237683679 1043308530 /nfs/dbraw/zinc/30/85/30/1043308530.db2.gz IJUCBKZSQHEAII-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c(O)c(OC)c1 ZINC001237683218 1043309913 /nfs/dbraw/zinc/30/99/13/1043309913.db2.gz FYRDVAIVVYFKDQ-UHFFFAOYSA-N 1 0 362.470 2.632 20 10 FFCDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc(I)c2O)C1 ZINC001237779697 1043353376 /nfs/dbraw/zinc/35/33/76/1043353376.db2.gz LTFNDMGQWUBFGI-GFCCVEGCSA-N 1 0 360.239 2.523 20 10 FFCDRO Cc1cc(F)cc(CN2CCCn3c(CN(C)C(C)C)nnc3C2)c1O ZINC001238062920 1043509118 /nfs/dbraw/zinc/50/91/18/1043509118.db2.gz YZCLZYFWRSOWEK-UHFFFAOYSA-N 1 0 361.465 2.677 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCC(F)F)C2)cc1 ZINC001279744639 1043575476 /nfs/dbraw/zinc/57/54/76/1043575476.db2.gz UHLJUKWJTMHWIE-DNVCBOLYSA-N 1 0 351.441 2.736 20 10 FFCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)c(C)c1 ZINC001279768754 1043612494 /nfs/dbraw/zinc/61/24/94/1043612494.db2.gz NZEFFTIBLNKNFK-OAQYLSRUSA-N 1 0 359.514 2.774 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NC(C)(C)C)CC2)cc(O)c1O ZINC001279860172 1043785545 /nfs/dbraw/zinc/78/55/45/1043785545.db2.gz IXNAFPJPMPUHFG-AWEZNQCLSA-N 1 0 362.470 2.623 20 10 FFCDRO COC[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C[NH2+]1 ZINC001238885057 1043931270 /nfs/dbraw/zinc/93/12/70/1043931270.db2.gz IDHOGCYXVLKZPF-ABUFQMGBSA-N 1 0 374.466 2.757 20 10 FFCDRO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]2C[C@H]21)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238911353 1043946201 /nfs/dbraw/zinc/94/62/01/1043946201.db2.gz WFQCEVDBDPPZJQ-ACILOPFISA-N 1 0 356.451 2.988 20 10 FFCDRO O=S(=O)(N[C@@H]1C[NH2+]C[C@@H]2C[C@@H]21)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238911356 1043946536 /nfs/dbraw/zinc/94/65/36/1043946536.db2.gz WFQCEVDBDPPZJQ-LEFGDPCMSA-N 1 0 356.451 2.988 20 10 FFCDRO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cc(F)cc(C)c4O)[C@@H]3C2)n(C)n1 ZINC001280028334 1044104729 /nfs/dbraw/zinc/10/47/29/1044104729.db2.gz SQZBMNZTQVOSDA-HNAYVOBHSA-N 1 0 358.461 2.588 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)Nc2ccc(O)cc2O)c(O)c1 ZINC001280046958 1044134186 /nfs/dbraw/zinc/13/41/86/1044134186.db2.gz SZJQWXJRGQVHMR-VBKZILBWSA-N 1 0 354.406 2.715 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H]2CCCS2)[NH+](C)C)cc1 ZINC001313085416 1044229758 /nfs/dbraw/zinc/22/97/58/1044229758.db2.gz JVXTUYOHWHFMTD-ROUUACIJSA-N 1 0 364.559 2.940 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCc3c(O)cccc3F)C2)cc1 ZINC001313187168 1044266005 /nfs/dbraw/zinc/26/60/05/1044266005.db2.gz SMYZTLVVSQCIHV-MRXNPFEDSA-N 1 0 357.429 2.913 20 10 FFCDRO O=C(Nc1nnco1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292152 1044558760 /nfs/dbraw/zinc/55/87/60/1044558760.db2.gz HQUVOTLNFFKHDV-KSSFIOAISA-N 1 0 360.389 2.545 20 10 FFCDRO Cc1n[nH]c(=O)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C ZINC001319767839 1045266933 /nfs/dbraw/zinc/26/69/33/1045266933.db2.gz RZHPGWUEQJUOLN-CQSZACIVSA-N 1 0 360.433 2.626 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)NCC(F)(F)F ZINC001320253037 1045375688 /nfs/dbraw/zinc/37/56/88/1045375688.db2.gz OJLZAFMONCPOGF-YUMQZZPRSA-N 1 0 369.181 2.872 20 10 FFCDRO CN(C)c1ncccc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001323447722 1045593847 /nfs/dbraw/zinc/59/38/47/1045593847.db2.gz XQGGGQJBMOJEGJ-UHFFFAOYSA-N 1 0 354.498 2.646 20 10 FFCDRO CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1(C)C ZINC001539707174 1070684919 /nfs/dbraw/zinc/68/49/19/1070684919.db2.gz OOFUKMHWEOKGRT-IPMKNSEASA-N 1 0 359.514 2.723 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])c3ccsc3)cc2)CC1 ZINC001326322762 1046874165 /nfs/dbraw/zinc/87/41/65/1046874165.db2.gz DQRBHVJOAMSEES-GOSISDBHSA-N 1 0 359.495 2.806 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)cc2)CC1 ZINC001326492991 1046955362 /nfs/dbraw/zinc/95/53/62/1046955362.db2.gz VNHRVZUOPNLETQ-SFHVURJKSA-N 1 0 371.525 2.792 20 10 FFCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327254209 1047257429 /nfs/dbraw/zinc/25/74/29/1047257429.db2.gz KTCVDJFLCGIGRG-UHFFFAOYSA-N 1 0 371.504 2.868 20 10 FFCDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)Cc1ccccc1 ZINC000827320708 1047999528 /nfs/dbraw/zinc/99/95/28/1047999528.db2.gz NMZKSKONAXVYSF-IBGZPJMESA-N 1 0 369.534 2.816 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC001331924495 1048174028 /nfs/dbraw/zinc/17/40/28/1048174028.db2.gz JLCOVAAZTYXCDW-WBVHZDCISA-N 1 0 374.506 2.958 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cc2F)CC1 ZINC001331966698 1048189803 /nfs/dbraw/zinc/18/98/03/1048189803.db2.gz UCQXRRYOOWFPRB-WIYYLYMNSA-N 1 0 361.505 2.872 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001329259542 1048639746 /nfs/dbraw/zinc/63/97/46/1048639746.db2.gz LOKUBYMVBSWCIW-UHFFFAOYSA-N 1 0 370.522 2.922 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C(=O)[O-])c4ccccc43)cc2)CC1 ZINC001333218987 1048764593 /nfs/dbraw/zinc/76/45/93/1048764593.db2.gz PPBJOLJCTIBNQP-LEWJYISDSA-N 1 0 365.477 2.841 20 10 FFCDRO COc1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c(O)c1OC ZINC001333737986 1049093104 /nfs/dbraw/zinc/09/31/04/1049093104.db2.gz VXLXYZVVVMJJIA-UHFFFAOYSA-N 1 0 372.343 2.992 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCCSc3nccs3)C[C@@H]2C1 ZINC001333753378 1049102471 /nfs/dbraw/zinc/10/24/71/1049102471.db2.gz IYOHQBQHOZDJSM-SOUVJXGZSA-N 1 0 368.572 2.997 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)cc1 ZINC001340045107 1050455594 /nfs/dbraw/zinc/45/55/94/1050455594.db2.gz PVFMJYNPYANDFX-YZGWKJHDSA-N 1 0 359.514 2.696 20 10 FFCDRO CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC[NH+]1CCCC1 ZINC001302848195 1051212617 /nfs/dbraw/zinc/21/26/17/1051212617.db2.gz XAHMDXOPLBGUNG-UHFFFAOYSA-N 1 0 357.502 2.914 20 10 FFCDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3ccc(N)cc3)CC2)cc1 ZINC001345160117 1052297351 /nfs/dbraw/zinc/29/73/51/1052297351.db2.gz RGGVIQMQGXVHNT-UHFFFAOYSA-N 1 0 373.522 2.821 20 10 FFCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1CC1CC1 ZINC001308502533 1052462455 /nfs/dbraw/zinc/46/24/55/1052462455.db2.gz UDHSYYIFNMNYKN-KRWDZBQOSA-N 1 0 372.469 2.686 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2)CC1 ZINC001308627944 1052479543 /nfs/dbraw/zinc/47/95/43/1052479543.db2.gz QZRPWTJAVCLIOY-SFHVURJKSA-N 1 0 352.482 2.817 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3nccs3)cc2F)CC1 ZINC001345719312 1052587177 /nfs/dbraw/zinc/58/71/77/1052587177.db2.gz ZAWBCTYOFTXYCV-WAYWQWQTSA-N 1 0 374.485 2.754 20 10 FFCDRO CCOc1ccc(N2CCN(CCc3nc(C(C)=O)c(C)[nH]3)CC2)cc1 ZINC001347104031 1053623027 /nfs/dbraw/zinc/62/30/27/1053623027.db2.gz JOUAZDNAFRSWSS-UHFFFAOYSA-N 1 0 356.470 2.684 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C2CC2)cc1 ZINC001336194842 1053832929 /nfs/dbraw/zinc/83/29/29/1053832929.db2.gz YKOUNRDRZFXFKH-TZIWHRDSSA-N 1 0 356.514 2.959 20 10 FFCDRO [NH3+]C1CC2(C1)CC(NC(=O)N(Cc1ccco1)Cc1ccccc1O)C2 ZINC001337070618 1054455772 /nfs/dbraw/zinc/45/57/72/1054455772.db2.gz UNWJYZQRPDRTJV-UHFFFAOYSA-N 1 0 355.438 2.967 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337784372 1055015775 /nfs/dbraw/zinc/01/57/75/1055015775.db2.gz AYCJHMYFCKJHMF-HNNXBMFYSA-N 1 0 370.453 2.903 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001337798132 1055023675 /nfs/dbraw/zinc/02/36/75/1055023675.db2.gz DKOPWEAQUAXADN-RDBSUJKOSA-N 1 0 352.500 2.980 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1OC ZINC001352023692 1055131569 /nfs/dbraw/zinc/13/15/69/1055131569.db2.gz XSAUGVDBINIMCC-WBMJQRKESA-N 1 0 363.376 2.983 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1O ZINC000848887055 1055306238 /nfs/dbraw/zinc/30/62/38/1055306238.db2.gz ZZKLUGBTYOXRSG-UHFFFAOYSA-N 1 0 359.514 2.521 20 10 FFCDRO CCNC(=O)COc1ccc(C[NH2+]Cc2cccc(CC)c2O)cc1OC ZINC000848894546 1055317814 /nfs/dbraw/zinc/31/78/14/1055317814.db2.gz MZQGNRXADIOOMO-UHFFFAOYSA-N 1 0 372.465 2.768 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000847304399 1055436143 /nfs/dbraw/zinc/43/61/43/1055436143.db2.gz PCUDUUJQSBJBIU-UHFFFAOYSA-N 1 0 357.502 2.563 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847696587 1056384870 /nfs/dbraw/zinc/38/48/70/1056384870.db2.gz RXLWWLJDCRATLC-CRAIPNDOSA-N 1 0 354.450 2.667 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC001353496749 1056457480 /nfs/dbraw/zinc/45/74/80/1056457480.db2.gz VTRVLKRLYCZKEL-DIECFANBSA-N 1 0 363.477 2.573 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)cc1F ZINC001353534899 1056508416 /nfs/dbraw/zinc/50/84/16/1056508416.db2.gz LHVYQVVFLPEFQJ-LFDOHDQPSA-N 1 0 363.477 2.575 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001456234788 1060062620 /nfs/dbraw/zinc/06/26/20/1060062620.db2.gz JJQTXPUFKLKLLS-UHFFFAOYSA-N 1 0 358.438 2.748 20 10 FFCDRO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000848502132 1060183470 /nfs/dbraw/zinc/18/34/70/1060183470.db2.gz KYYIBIYYKZYYGZ-AWEZNQCLSA-N 1 0 365.332 2.772 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncc(Cl)s2)[NH+](C)C)cc1 ZINC001456936245 1060232294 /nfs/dbraw/zinc/23/22/94/1060232294.db2.gz RXZWSDXAYUGCCZ-ZDUSSCGKSA-N 1 0 352.891 2.895 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1O ZINC001460636926 1061043739 /nfs/dbraw/zinc/04/37/39/1061043739.db2.gz KZFBMDWELDJOHR-MRXNPFEDSA-N 1 0 364.449 2.587 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC001460651896 1061047669 /nfs/dbraw/zinc/04/76/69/1061047669.db2.gz PPXSUYVHNLMZJH-UHFFFAOYSA-N 1 0 369.465 2.855 20 10 FFCDRO COc1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1Cn1cccn1 ZINC001461464772 1061325433 /nfs/dbraw/zinc/32/54/33/1061325433.db2.gz ZIFOBHVQQAUZNU-UHFFFAOYSA-N 1 0 355.482 2.972 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c(O)c1 ZINC001461955197 1061461393 /nfs/dbraw/zinc/46/13/93/1061461393.db2.gz IFBNPIKSBHVHNE-VQIMIIECSA-N 1 0 359.514 2.513 20 10 FFCDRO C[C@H](CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)[NH+](C)C ZINC001476768561 1061476001 /nfs/dbraw/zinc/47/60/01/1061476001.db2.gz KTOUESOFLRNTOM-CQSZACIVSA-N 1 0 352.442 2.858 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000765546744 1061553682 /nfs/dbraw/zinc/55/36/82/1061553682.db2.gz UWHIPNWFQXRCMZ-MMAALDBVSA-N 1 0 359.426 2.702 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)c1 ZINC001462261623 1061559852 /nfs/dbraw/zinc/55/98/52/1061559852.db2.gz OLYRTNBNVYJTBV-LJQANCHMSA-N 1 0 371.481 2.839 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000765844679 1061598045 /nfs/dbraw/zinc/59/80/45/1061598045.db2.gz HSCPUWHRIKXQHB-MGPUTAFESA-N 1 0 371.437 2.816 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c(O)c1 ZINC001462447986 1061627963 /nfs/dbraw/zinc/62/79/63/1061627963.db2.gz MEDSKCFBZUYJRL-UHFFFAOYSA-N 1 0 354.454 2.658 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H](F)C2)[NH+](C)C)cc1 ZINC001478877053 1062139452 /nfs/dbraw/zinc/13/94/52/1062139452.db2.gz SXBJBJQYEVYBRS-RYRKJORJSA-N 1 0 350.482 2.935 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CC=CCC3)cc2)CC1 ZINC001479117209 1062237918 /nfs/dbraw/zinc/23/79/18/1062237918.db2.gz GAWXHSHRFNBBES-GOSISDBHSA-N 1 0 356.514 2.984 20 10 FFCDRO CON(CC(C)(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001479534979 1062504078 /nfs/dbraw/zinc/50/40/78/1062504078.db2.gz QVLMIDSFOAWSSM-KRWDZBQOSA-N 1 0 350.507 2.974 20 10 FFCDRO CSc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001439958994 1063241970 /nfs/dbraw/zinc/24/19/70/1063241970.db2.gz AVCXGLZWIYCOLC-KRWDZBQOSA-N 1 0 358.511 2.902 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC001468729377 1064028806 /nfs/dbraw/zinc/02/88/06/1064028806.db2.gz XNFRQGNQWRAYIZ-FUHWJXTLSA-N 1 0 362.493 2.908 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC001471189811 1064594960 /nfs/dbraw/zinc/59/49/60/1064594960.db2.gz BXJFASBJFOPIBQ-IBGZPJMESA-N 1 0 356.514 2.770 20 10 FFCDRO CC[C@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471565835 1064717467 /nfs/dbraw/zinc/71/74/67/1064717467.db2.gz WJERAAJESCOVBT-FXAWDEMLSA-N 1 0 361.530 2.632 20 10 FFCDRO CCC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H]1CC(=O)N(C)C1=O ZINC001473420279 1065261343 /nfs/dbraw/zinc/26/13/43/1065261343.db2.gz ZZNHXDHKTIZCQZ-LJQANCHMSA-N 1 0 357.498 2.955 20 10 FFCDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC001474091393 1065455548 /nfs/dbraw/zinc/45/55/48/1065455548.db2.gz GAZFVICBFSOKMN-LJQANCHMSA-N 1 0 373.884 2.883 20 10 FFCDRO O=C1N(CC[NH2+]Cc2c(O)cccc2Br)C[C@@H]2CCCCN12 ZINC001474637166 1065567844 /nfs/dbraw/zinc/56/78/44/1065567844.db2.gz XNCCFZXTZXSNQS-LBPRGKRZSA-N 1 0 368.275 2.534 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC001578424634 1078472874 /nfs/dbraw/zinc/47/28/74/1078472874.db2.gz PUZVVKDNMDPSCE-FPOVZHCZSA-N 1 0 353.466 2.575 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3F)CC[NH2+]C4)cc2)CC1 ZINC001578537473 1078489568 /nfs/dbraw/zinc/48/95/68/1078489568.db2.gz YZTOUJTWOFMQKN-UHFFFAOYSA-N 1 0 354.473 2.835 20 10 FFCDRO C[NH2+]CCC1CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001578678992 1078516131 /nfs/dbraw/zinc/51/61/31/1078516131.db2.gz LLLIDDHDERQANB-UHFFFAOYSA-N 1 0 374.508 2.666 20 10 FFCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001578943075 1078551984 /nfs/dbraw/zinc/55/19/84/1078551984.db2.gz MQCCUNFFOAFNTR-TZIWHRDSSA-N 1 0 355.482 2.786 20 10 FFCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001578943074 1078552249 /nfs/dbraw/zinc/55/22/49/1078552249.db2.gz MQCCUNFFOAFNTR-PZJWPPBQSA-N 1 0 355.482 2.786 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CN(c3ccccc3)CCO2)cc1 ZINC001559966952 1076208783 /nfs/dbraw/zinc/20/87/83/1076208783.db2.gz PIAVDPRACVXSDH-QFIPXVFZSA-N 1 0 369.509 2.969 20 10 FFCDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC001560283851 1076259996 /nfs/dbraw/zinc/25/99/96/1076259996.db2.gz OXXGIQIFPYAUER-HNNXBMFYSA-N 1 0 358.511 2.697 20 10 FFCDRO CN(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC001560367538 1076268296 /nfs/dbraw/zinc/26/82/96/1076268296.db2.gz NMWLZYTYQLRZJV-UHFFFAOYSA-N 1 0 357.473 2.884 20 10 FFCDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc(N(C)C)cc3C)CC2=O)cc1 ZINC001560925880 1076309897 /nfs/dbraw/zinc/30/98/97/1076309897.db2.gz WUZRZDHHACNNAU-QGZVFWFLSA-N 1 0 353.466 2.965 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cnc(F)c(F)c2)[NH+](C)C)cc1 ZINC001563384836 1076549044 /nfs/dbraw/zinc/54/90/44/1076549044.db2.gz VFSSSHFUQBHGDD-MRXNPFEDSA-N 1 0 363.412 2.850 20 10 FFCDRO COc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@]23C[C@H]2COC3)cc1C ZINC001570675690 1077221483 /nfs/dbraw/zinc/22/14/83/1077221483.db2.gz NCELLIAKTUYBLK-UWJYYQICSA-N 1 0 360.498 2.614 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC001586838534 1079693750 /nfs/dbraw/zinc/69/37/50/1079693750.db2.gz DUCXLRKNGAATAK-OAHLLOKOSA-N 1 0 353.466 2.978 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c2c1c(F)ccc2O ZINC001590203741 1081088282 /nfs/dbraw/zinc/08/82/82/1081088282.db2.gz BCPHIHNDTNYGDC-IAQYHMDHSA-N 1 0 369.400 2.928 20 10 FFCDRO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)ccc1O ZINC000368990841 512171436 /nfs/dbraw/zinc/17/14/36/512171436.db2.gz PEYVVWTXHHMBJG-LBPRGKRZSA-N 1 0 367.247 2.517 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000043862649 506793384 /nfs/dbraw/zinc/79/33/84/506793384.db2.gz JHQMSBMJRMORQA-UHFFFAOYSA-N 1 0 367.497 2.611 20 10 FFCDRO CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000093133025 508122977 /nfs/dbraw/zinc/12/29/77/508122977.db2.gz AQXPADJNTNFNPQ-HNNXBMFYSA-N 1 0 358.313 2.911 20 10 FFCDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000093869858 508158070 /nfs/dbraw/zinc/15/80/70/508158070.db2.gz OJQDQBGCPKNZIQ-LBPRGKRZSA-N 1 0 350.260 2.953 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(C)nc3)cc2F)CC1 ZINC000106702039 508403790 /nfs/dbraw/zinc/40/37/90/508403790.db2.gz MAEICFGXYBTORS-UHFFFAOYSA-N 1 0 370.472 2.530 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)[C@H](C)C1 ZINC000115851762 508447592 /nfs/dbraw/zinc/44/75/92/508447592.db2.gz WCWOATOGDFSNGF-AEFFLSMTSA-N 1 0 363.502 2.671 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158206087 508671927 /nfs/dbraw/zinc/67/19/27/508671927.db2.gz IMPMWFULEOQYCW-QFBILLFUSA-N 1 0 358.457 2.917 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000371479142 512427025 /nfs/dbraw/zinc/42/70/25/512427025.db2.gz DKHYGKIIDXXFRU-DKICVRJWSA-N 1 0 358.486 2.514 20 10 FFCDRO COc1ccc([C@H](O)C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000125423542 508980491 /nfs/dbraw/zinc/98/04/91/508980491.db2.gz JMJGRLWTEOVTMM-OAQYLSRUSA-N 1 0 356.466 2.996 20 10 FFCDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000120544055 509018204 /nfs/dbraw/zinc/01/82/04/509018204.db2.gz PXQLWMXOJDVFDZ-ZDUSSCGKSA-N 1 0 365.474 2.732 20 10 FFCDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000152009164 509128957 /nfs/dbraw/zinc/12/89/57/509128957.db2.gz TXKLTKVNSABJNX-KRWDZBQOSA-N 1 0 358.530 2.538 20 10 FFCDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c(C)n1-c1ccccn1 ZINC000267072773 509335576 /nfs/dbraw/zinc/33/55/76/509335576.db2.gz DZEXIQFOQZPIQM-IBGZPJMESA-N 1 0 358.511 2.656 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)CC2 ZINC000186102983 509522725 /nfs/dbraw/zinc/52/27/25/509522725.db2.gz SXOUREHBSBWIKH-UKRRQHHQSA-N 1 0 352.438 2.949 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000179618467 509537778 /nfs/dbraw/zinc/53/77/78/509537778.db2.gz SQDWBBOVVYOTRC-UHFFFAOYSA-N 1 0 356.422 2.957 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1O ZINC000179647976 509554099 /nfs/dbraw/zinc/55/40/99/509554099.db2.gz QHIZEMGWKNKCRY-OAHLLOKOSA-N 1 0 353.422 2.507 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264573290 509607829 /nfs/dbraw/zinc/60/78/29/509607829.db2.gz SODMEWWUEQCHTJ-JLXBBBJOSA-N 1 0 369.509 2.623 20 10 FFCDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cccc(O)c1O ZINC000193151931 509797912 /nfs/dbraw/zinc/79/79/12/509797912.db2.gz ARMYDVDUGYPIBT-UHFFFAOYSA-N 1 0 355.438 2.872 20 10 FFCDRO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1O ZINC000183509188 509833866 /nfs/dbraw/zinc/83/38/66/509833866.db2.gz ZGWPJMPFQFZNOO-LLVKDONJSA-N 1 0 366.405 2.604 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000269044049 510208606 /nfs/dbraw/zinc/20/86/06/510208606.db2.gz UNMKXNTZTXYERP-SJLPKXTDSA-N 1 0 365.543 2.752 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccnc3)cc2F)CC1 ZINC000174682347 510248362 /nfs/dbraw/zinc/24/83/62/510248362.db2.gz JOOYMHLUBGUJSY-INIZCTEOSA-N 1 0 370.472 2.783 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2O)ccc1OCC(N)=O ZINC000181122565 510281021 /nfs/dbraw/zinc/28/10/21/510281021.db2.gz FZGCXTSAWMHQDV-UHFFFAOYSA-N 1 0 364.829 2.517 20 10 FFCDRO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000269267159 510316905 /nfs/dbraw/zinc/31/69/05/510316905.db2.gz PRPSBCYTRZKTAU-MJBXVCDLSA-N 1 0 353.413 2.500 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185340871 510813434 /nfs/dbraw/zinc/81/34/34/510813434.db2.gz CADLYAAAHBKDLW-XLIONFOSSA-N 1 0 368.477 2.821 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1OC ZINC000182219088 510818381 /nfs/dbraw/zinc/81/83/81/510818381.db2.gz KZUSBOBRMGSOFA-GOSISDBHSA-N 1 0 353.365 2.685 20 10 FFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000278002714 510977504 /nfs/dbraw/zinc/97/75/04/510977504.db2.gz VJPJIPKCZYECDD-OCCSQVGLSA-N 1 0 364.442 2.856 20 10 FFCDRO COc1c(O)c(C[NH2+]Cc2cccnc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000278309858 510988170 /nfs/dbraw/zinc/98/81/70/510988170.db2.gz DWEJCLMNFJLJTA-UHFFFAOYSA-N 1 0 369.324 2.638 20 10 FFCDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000294209718 510990728 /nfs/dbraw/zinc/99/07/28/510990728.db2.gz RVPNNYQSUFRDLO-UHFFFAOYSA-N 1 0 371.485 2.735 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000278939797 511014909 /nfs/dbraw/zinc/01/49/09/511014909.db2.gz XNWBXYCGTVPPRS-MRXNPFEDSA-N 1 0 363.389 2.841 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271151824 511099413 /nfs/dbraw/zinc/09/94/13/511099413.db2.gz GAUPBBLRAGNGFZ-UHFFFAOYSA-N 1 0 368.433 2.858 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000283052995 511216241 /nfs/dbraw/zinc/21/62/41/511216241.db2.gz SLPOWSXMCBMLRI-KRWDZBQOSA-N 1 0 370.449 2.560 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000294912142 511218755 /nfs/dbraw/zinc/21/87/55/511218755.db2.gz WPDVMLXNKCSPCW-ZIAGYGMSSA-N 1 0 369.508 2.556 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)[C@H]3C)cc2)CC1 ZINC000295211916 511323218 /nfs/dbraw/zinc/32/32/18/511323218.db2.gz PJIYXFNSQNTIAH-XMSQKQJNSA-N 1 0 373.541 2.597 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273231620 511520783 /nfs/dbraw/zinc/52/07/83/511520783.db2.gz OPTMEBHQEPQHJC-NRFANRHFSA-N 1 0 373.541 2.992 20 10 FFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000273291836 511521553 /nfs/dbraw/zinc/52/15/53/511521553.db2.gz YGOKOGOZNWEYGE-INIZCTEOSA-N 1 0 361.530 2.678 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c1 ZINC000280687179 511564151 /nfs/dbraw/zinc/56/41/51/511564151.db2.gz VLOWFOPKWSZPJS-UHFFFAOYSA-N 1 0 355.481 2.936 20 10 FFCDRO COc1cccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280832319 511621137 /nfs/dbraw/zinc/62/11/37/511621137.db2.gz WYHGZMPFGKIRHM-KDOFPFPSSA-N 1 0 363.479 2.973 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272363 511680283 /nfs/dbraw/zinc/68/02/83/511680283.db2.gz DRCAUXREHWIUGH-YYUOZPCZSA-N 1 0 373.902 2.883 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296325236 511700032 /nfs/dbraw/zinc/70/00/32/511700032.db2.gz FZUBXEZNOPGDBD-WMZOPIPTSA-N 1 0 352.434 2.649 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1C ZINC000274060004 511707999 /nfs/dbraw/zinc/70/79/99/511707999.db2.gz MYMILURJSKGRER-UHFFFAOYSA-N 1 0 360.479 2.833 20 10 FFCDRO CCOc1cc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)ncn1 ZINC000302261225 511708514 /nfs/dbraw/zinc/70/85/14/511708514.db2.gz CPYXNDXJBBPEIF-UHFFFAOYSA-N 1 0 359.449 2.768 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cn(C(C)C)nc3C)CC2)cc1 ZINC000281262850 511779256 /nfs/dbraw/zinc/77/92/56/511779256.db2.gz GZWZBJXFTNWUSJ-UHFFFAOYSA-N 1 0 371.529 2.693 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000296534011 511784856 /nfs/dbraw/zinc/78/48/56/511784856.db2.gz QPORTPWXINMQPF-IVCQMTBJSA-N 1 0 367.511 2.928 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293602070 512023532 /nfs/dbraw/zinc/02/35/32/512023532.db2.gz VEBAGVADBBYEHY-NRFANRHFSA-N 1 0 358.457 2.698 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275131304 512050984 /nfs/dbraw/zinc/05/09/84/512050984.db2.gz KVJXKEUOQSKLIG-SECBINFHSA-N 1 0 366.767 2.555 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC3(S(C)(=O)=O)CCCC3)CC2)cc1 ZINC000376102584 512661952 /nfs/dbraw/zinc/66/19/52/512661952.db2.gz IMUXBJZBROBDJT-UHFFFAOYSA-N 1 0 366.527 2.611 20 10 FFCDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000368034295 512773346 /nfs/dbraw/zinc/77/33/46/512773346.db2.gz JFEMTEGPUSUQKL-OAHLLOKOSA-N 1 0 359.449 2.953 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000374428747 512829661 /nfs/dbraw/zinc/82/96/61/512829661.db2.gz MSKLHMWGHNHZTF-CGTJXYLNSA-N 1 0 366.889 2.932 20 10 FFCDRO CC(C)n1ncc2c1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000372763056 513033089 /nfs/dbraw/zinc/03/30/89/513033089.db2.gz HBWQFSMCTDRXPC-LJQANCHMSA-N 1 0 354.498 2.948 20 10 FFCDRO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370742081 513079569 /nfs/dbraw/zinc/07/95/69/513079569.db2.gz VJBKUFJAGBPIDQ-FQEVSTJZSA-N 1 0 371.481 2.919 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000473269843 515558522 /nfs/dbraw/zinc/55/85/22/515558522.db2.gz COXOZBCGWHTREZ-IBGZPJMESA-N 1 0 355.482 2.746 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC23CC(C2)CO3)C1 ZINC000529872933 517408831 /nfs/dbraw/zinc/40/88/31/517408831.db2.gz SIPIUNFVBGAJCQ-UHFFFAOYSA-N 1 0 367.493 2.703 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2=CCCOC2)C1 ZINC000554079398 518051706 /nfs/dbraw/zinc/05/17/06/518051706.db2.gz UHRVWABLIFPXPX-UHFFFAOYSA-N 1 0 367.493 2.871 20 10 FFCDRO COc1ccc(N(CC2CC2)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)cc1 ZINC000602590929 521427057 /nfs/dbraw/zinc/42/70/57/521427057.db2.gz DIMSFNRFPSWEFE-HNNXBMFYSA-N 1 0 354.454 2.785 20 10 FFCDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Br)ccc1O ZINC000825958010 608524214 /nfs/dbraw/zinc/52/42/14/608524214.db2.gz LNPNOBOZXWVITP-UHFFFAOYSA-N 1 0 374.242 2.967 20 10 FFCDRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000897950822 735296814 /nfs/dbraw/zinc/29/68/14/735296814.db2.gz UDJPTFJMPWFQNC-SJKOYZFVSA-N 1 0 364.239 2.987 20 10 FFCDRO CN(c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1)S(C)(=O)=O ZINC000898281737 735336043 /nfs/dbraw/zinc/33/60/43/735336043.db2.gz PKHRHEOLXFDROF-UHFFFAOYSA-N 1 0 360.479 2.697 20 10 FFCDRO COc1cccc(O)c1C[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000898292432 735338250 /nfs/dbraw/zinc/33/82/50/735338250.db2.gz JTFRHLGJVALPDW-UHFFFAOYSA-N 1 0 362.451 2.595 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)CCSCC)cc2=O ZINC000744426171 735353863 /nfs/dbraw/zinc/35/38/63/735353863.db2.gz GAYVHOVKJXUBJL-GFCCVEGCSA-N 1 0 366.487 2.575 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c(O)c1 ZINC000898398484 735355018 /nfs/dbraw/zinc/35/50/18/735355018.db2.gz FYDPJJDADPJAMV-VWLOTQADSA-N 1 0 369.531 2.577 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000745593833 735431151 /nfs/dbraw/zinc/43/11/51/735431151.db2.gz YKHQDXQVFRUCIY-WBVHZDCISA-N 1 0 362.543 2.522 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000090799103 728452180 /nfs/dbraw/zinc/45/21/80/728452180.db2.gz KUWGOJLVQCGWQU-VQIMIIECSA-N 1 0 365.543 2.752 20 10 FFCDRO Cc1csc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000133844489 728727991 /nfs/dbraw/zinc/72/79/91/728727991.db2.gz NZCWPNYNKKKVAG-UHFFFAOYSA-N 1 0 358.511 2.610 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(=O)[nH]c1 ZINC000134260942 728729286 /nfs/dbraw/zinc/72/92/86/728729286.db2.gz XCSIOGSAIDOGJI-HNNXBMFYSA-N 1 0 361.829 2.541 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)cc1 ZINC000179417379 729185719 /nfs/dbraw/zinc/18/57/19/729185719.db2.gz GBKZLGRSIKAMAC-UHFFFAOYSA-N 1 0 359.495 2.682 20 10 FFCDRO Oc1ccc(F)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000179988433 729199792 /nfs/dbraw/zinc/19/97/92/729199792.db2.gz ZPULWCHFPGLDCE-UHFFFAOYSA-N 1 0 350.356 2.618 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187024721 729371716 /nfs/dbraw/zinc/37/17/16/729371716.db2.gz ZWBLDLGUPRFQRI-HNNXBMFYSA-N 1 0 368.568 2.543 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000779038775 738431358 /nfs/dbraw/zinc/43/13/58/738431358.db2.gz NBKLJDPUHXBMAS-ZOWXZIJZSA-N 1 0 357.292 2.833 20 10 FFCDRO CON1CCC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000924717593 738441261 /nfs/dbraw/zinc/44/12/61/738441261.db2.gz WABVVOIYMIFHID-GASCZTMLSA-N 1 0 351.466 2.555 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000857070443 730377510 /nfs/dbraw/zinc/37/75/10/730377510.db2.gz MQLGAYSQEBSERI-LBPRGKRZSA-N 1 0 354.447 2.802 20 10 FFCDRO COc1ccc([C@H](O)C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000858093241 730416263 /nfs/dbraw/zinc/41/62/63/730416263.db2.gz WDOLFOIEFCEIHV-MRXNPFEDSA-N 1 0 352.228 2.987 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1F ZINC000858172122 730418688 /nfs/dbraw/zinc/41/86/88/730418688.db2.gz KMBIGWRHUFGQSP-SCLBCKFNSA-N 1 0 350.413 2.774 20 10 FFCDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000858247392 730420795 /nfs/dbraw/zinc/42/07/95/730420795.db2.gz VMIBSVWZIZHEJV-HDJSIYSDSA-N 1 0 366.303 2.793 20 10 FFCDRO COc1cccc(C[NH2+]Cc2cc(Br)cnc2OC)c1O ZINC000858249590 730420917 /nfs/dbraw/zinc/42/09/17/730420917.db2.gz SPFSCZKQFSCURF-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO CC(C)C(=O)NC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862219614 730677623 /nfs/dbraw/zinc/67/76/23/730677623.db2.gz GZYLKLOXVCXGRX-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000862254093 730682629 /nfs/dbraw/zinc/68/26/29/730682629.db2.gz VSHLKNHCZDNEJP-DKSSEZFCSA-N 1 0 353.457 2.714 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(O)cccc1Br ZINC000862350814 730690523 /nfs/dbraw/zinc/69/05/23/730690523.db2.gz CEOLCPUAKNVPPG-CYBMUJFWSA-N 1 0 369.303 2.840 20 10 FFCDRO CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000865462602 730958259 /nfs/dbraw/zinc/95/82/59/730958259.db2.gz QIDSMPSCUAPWOT-MRXNPFEDSA-N 1 0 363.893 2.801 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000866577312 731076220 /nfs/dbraw/zinc/07/62/20/731076220.db2.gz FLKLMEQLOQRPHH-OAHLLOKOSA-N 1 0 362.495 2.810 20 10 FFCDRO O=C(CCC1(O)CCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764647 731096860 /nfs/dbraw/zinc/09/68/60/731096860.db2.gz PMYFTWGZDUCEEE-MRXNPFEDSA-N 1 0 366.889 2.821 20 10 FFCDRO COc1ccc(C[NH2+]CC2(SC)CCOCC2)cc1Cn1cccn1 ZINC000873061362 731869751 /nfs/dbraw/zinc/86/97/51/731869751.db2.gz IUZBWUWRWQACMR-UHFFFAOYSA-N 1 0 361.511 2.942 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@H](O)C(F)(F)F ZINC000873099855 731874858 /nfs/dbraw/zinc/87/48/58/731874858.db2.gz SWAGTARIKVEEFQ-HOCLYGCPSA-N 1 0 357.376 2.731 20 10 FFCDRO CN(CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC(F)(F)F ZINC000876932282 732298715 /nfs/dbraw/zinc/29/87/15/732298715.db2.gz IVRVHHPHOLLVPT-UHFFFAOYSA-N 1 0 359.436 2.622 20 10 FFCDRO CO[C@H](C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOC1 ZINC000877033831 732315192 /nfs/dbraw/zinc/31/51/92/732315192.db2.gz OLLPCHDQACNOIS-LSBZLQRGSA-N 1 0 368.905 2.651 20 10 FFCDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877075811 732321594 /nfs/dbraw/zinc/32/15/94/732321594.db2.gz IHKCMWGBMWMFKU-OYRDERLMSA-N 1 0 364.555 2.817 20 10 FFCDRO CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000662578314 732336038 /nfs/dbraw/zinc/33/60/38/732336038.db2.gz PLRSCTATNOQICD-JTQLQIEISA-N 1 0 354.332 2.662 20 10 FFCDRO OCCC1(CCO)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000877691797 732414878 /nfs/dbraw/zinc/41/48/78/732414878.db2.gz OVCDBUXMIHIFLL-UHFFFAOYSA-N 1 0 358.276 2.502 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1O ZINC000878872119 732607037 /nfs/dbraw/zinc/60/70/37/732607037.db2.gz ACCBDFLQMSXTFI-FUHWJXTLSA-N 1 0 351.418 2.534 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1O ZINC000878872117 732607066 /nfs/dbraw/zinc/60/70/66/732607066.db2.gz ACCBDFLQMSXTFI-AEFFLSMTSA-N 1 0 351.418 2.534 20 10 FFCDRO C[C@@H]1CC2(CC([NH2+]Cc3cc(F)c(N4CCOCC4)c(F)c3)C2)CO1 ZINC000926557942 738629608 /nfs/dbraw/zinc/62/96/08/738629608.db2.gz BCGCECZJMXNWBM-VZDIAYEVSA-N 1 0 352.425 2.849 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)ccc1O ZINC000927155288 738697600 /nfs/dbraw/zinc/69/76/00/738697600.db2.gz JMZGQXALYNIGLI-VQISRLSMSA-N 1 0 356.260 2.735 20 10 FFCDRO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1C(F)(F)F ZINC000720875876 734380576 /nfs/dbraw/zinc/38/05/76/734380576.db2.gz DPNFDWQFTDVWQO-KOLCDFICSA-N 1 0 353.182 2.724 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CCSCC2)[NH+](C)C)cc1 ZINC000892588013 734577018 /nfs/dbraw/zinc/57/70/18/734577018.db2.gz BHALKXJWXKXEPY-QGZVFWFLSA-N 1 0 350.532 2.550 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCSCCCO)ccc1N1CCCCC1 ZINC000729855372 734599290 /nfs/dbraw/zinc/59/92/90/734599290.db2.gz USXLGSBPAJPLAM-UHFFFAOYSA-N 1 0 353.488 2.790 20 10 FFCDRO CCC[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730111780 734616845 /nfs/dbraw/zinc/61/68/45/734616845.db2.gz NPCGIRAGJDXVEZ-OAHLLOKOSA-N 1 0 350.482 2.955 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1F ZINC000731401043 734677303 /nfs/dbraw/zinc/67/73/03/734677303.db2.gz JRDDPQRGJBJSJJ-UHFFFAOYSA-N 1 0 350.482 2.957 20 10 FFCDRO Cc1nc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)sc1C ZINC000893327348 734687410 /nfs/dbraw/zinc/68/74/10/734687410.db2.gz ANFFRYRUVBXDBF-INIZCTEOSA-N 1 0 358.511 2.751 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000893707078 734739723 /nfs/dbraw/zinc/73/97/23/734739723.db2.gz MPNKDMXPRNGRSP-HOCLYGCPSA-N 1 0 354.445 2.842 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)c1O ZINC000894290106 734831058 /nfs/dbraw/zinc/83/10/58/734831058.db2.gz ZKXKUVQIRFHYJY-UHFFFAOYSA-N 1 0 356.348 2.720 20 10 FFCDRO COc1ccc(C[NH2+]CCCn2cc(Br)cn2)c(O)c1OC ZINC000894518562 734873454 /nfs/dbraw/zinc/87/34/54/734873454.db2.gz GQPLVNRCHMHHQS-UHFFFAOYSA-N 1 0 370.247 2.548 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000895695901 735041385 /nfs/dbraw/zinc/04/13/85/735041385.db2.gz JIPTUEIMTGOWAN-UHFFFAOYSA-N 1 0 356.260 2.845 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000895792208 735056274 /nfs/dbraw/zinc/05/62/74/735056274.db2.gz BLKAWOFEKHWLOH-RDJZCZTQSA-N 1 0 354.445 2.700 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000895923777 735074204 /nfs/dbraw/zinc/07/42/04/735074204.db2.gz XZTKCEMFRLOMBM-GDBMZVCRSA-N 1 0 354.445 2.700 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1O ZINC000897621888 735256122 /nfs/dbraw/zinc/25/61/22/735256122.db2.gz XVTNYOPBYIJWGT-BLLLJJGKSA-N 1 0 355.276 2.547 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000748438670 735644965 /nfs/dbraw/zinc/64/49/65/735644965.db2.gz BIAQJDODADSUEY-HNNXBMFYSA-N 1 0 357.420 2.890 20 10 FFCDRO CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127130 735747138 /nfs/dbraw/zinc/74/71/38/735747138.db2.gz INSFFNKKUNYEJQ-MAZHCROVSA-N 1 0 354.878 2.533 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000903234983 736063992 /nfs/dbraw/zinc/06/39/92/736063992.db2.gz UNYYPYILNGYKCF-OAHLLOKOSA-N 1 0 361.511 2.902 20 10 FFCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000754121197 736128423 /nfs/dbraw/zinc/12/84/23/736128423.db2.gz KWKIWMOJHCVXLD-AEFFLSMTSA-N 1 0 368.568 2.541 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000754643207 736182591 /nfs/dbraw/zinc/18/25/91/736182591.db2.gz QXOVMSDNDZMRLM-GOSISDBHSA-N 1 0 367.559 2.636 20 10 FFCDRO CC[C@](O)(C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000905342840 736329898 /nfs/dbraw/zinc/32/98/98/736329898.db2.gz XKJLNXSRUZEDOO-KRWDZBQOSA-N 1 0 360.420 2.688 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000756523622 736338498 /nfs/dbraw/zinc/33/84/98/736338498.db2.gz CYHGDQMLZMPTAJ-BBRMVZONSA-N 1 0 353.894 2.639 20 10 FFCDRO O=C1NCCc2ccc(C[NH2+]Cc3cc(Br)ccc3O)cc21 ZINC000757942988 736437630 /nfs/dbraw/zinc/43/76/30/736437630.db2.gz LOKPPNVOLVXFKJ-UHFFFAOYSA-N 1 0 361.239 2.730 20 10 FFCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000760698574 736661583 /nfs/dbraw/zinc/66/15/83/736661583.db2.gz LPCSSKKZPLGJNH-BSEYFRJRSA-N 1 0 353.488 2.832 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cnc(C)s3)CC2)cc1 ZINC000761436486 736734136 /nfs/dbraw/zinc/73/41/36/736734136.db2.gz SUJBRKPVADJHFR-HNNXBMFYSA-N 1 0 360.527 2.933 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764751494 737046123 /nfs/dbraw/zinc/04/61/23/737046123.db2.gz QNSMKQJPNUJNRX-CABCVRRESA-N 1 0 354.491 2.901 20 10 FFCDRO CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC000765684740 737144587 /nfs/dbraw/zinc/14/45/87/737144587.db2.gz LKGGQWNAVXNMLS-CJNGLKHVSA-N 1 0 355.429 2.713 20 10 FFCDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978877 737179988 /nfs/dbraw/zinc/17/99/88/737179988.db2.gz QVCCRQQYABBARS-HNNXBMFYSA-N 1 0 364.536 2.704 20 10 FFCDRO C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077278 737396014 /nfs/dbraw/zinc/39/60/14/737396014.db2.gz GIARLXKCUPAHIZ-XOKHGSTOSA-N 1 0 366.889 2.799 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2nccn3cnnc23)C1 ZINC000771203262 737705890 /nfs/dbraw/zinc/70/58/90/737705890.db2.gz OSDCLESBJNIYKT-CQSZACIVSA-N 1 0 358.833 2.560 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000771659608 737745388 /nfs/dbraw/zinc/74/53/88/737745388.db2.gz NUXINYLDROWEIE-MRXNPFEDSA-N 1 0 361.511 2.732 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000772960327 737859183 /nfs/dbraw/zinc/85/91/83/737859183.db2.gz GXDXOBWGULMMEV-KRWDZBQOSA-N 1 0 365.543 2.753 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000773018109 737863857 /nfs/dbraw/zinc/86/38/57/737863857.db2.gz UXRBOTIHGLPQDZ-VQIMIIECSA-N 1 0 366.527 2.609 20 10 FFCDRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(N(C)C)cc1 ZINC000773359540 737899033 /nfs/dbraw/zinc/89/90/33/737899033.db2.gz ANWZRANXIAQZKN-KBXCAEBGSA-N 1 0 350.532 2.550 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)ccc1O ZINC000775503291 738097738 /nfs/dbraw/zinc/09/77/38/738097738.db2.gz FOAMFATURDLGRD-MRXNPFEDSA-N 1 0 353.894 2.639 20 10 FFCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000775720674 738117427 /nfs/dbraw/zinc/11/74/27/738117427.db2.gz OIQIKYZNJHAOCD-YOEHRIQHSA-N 1 0 357.420 2.590 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@]2(OC)CCSC2)c1O ZINC000922571197 738167554 /nfs/dbraw/zinc/16/75/54/738167554.db2.gz IAFACKULAGGMLI-CQSZACIVSA-N 1 0 362.289 2.775 20 10 FFCDRO CC1(C)CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000776175117 738168055 /nfs/dbraw/zinc/16/80/55/738168055.db2.gz VPSPQBVPZCQCKY-UHFFFAOYSA-N 1 0 350.528 2.980 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000776220293 738172347 /nfs/dbraw/zinc/17/23/47/738172347.db2.gz KIDHZNDEZANHCL-FZZIBODNSA-N 1 0 353.260 2.562 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCc2cc(C)n(C)n2)c1O ZINC000922689911 738186039 /nfs/dbraw/zinc/18/60/39/738186039.db2.gz PXNSXXNUAAQHRV-UHFFFAOYSA-N 1 0 354.248 2.538 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)c2ccnn2C)cc1 ZINC000922971423 738226563 /nfs/dbraw/zinc/22/65/63/738226563.db2.gz XYUOSIDLSAVNQM-LJQANCHMSA-N 1 0 356.495 2.941 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c(C(F)(F)F)c1 ZINC000922989895 738227645 /nfs/dbraw/zinc/22/76/45/738227645.db2.gz AOGKDRSWHPFSLA-GFCCVEGCSA-N 1 0 353.392 2.547 20 10 FFCDRO COC[C@@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000777302797 738276966 /nfs/dbraw/zinc/27/69/66/738276966.db2.gz VNGIJCNGNMQOSU-PBHICJAKSA-N 1 0 351.491 2.943 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cc(Cl)ccc3O)C2)nc1 ZINC000784626336 738909325 /nfs/dbraw/zinc/90/93/25/738909325.db2.gz ZYIWGNGHQRQYET-UHFFFAOYSA-N 1 0 361.829 2.596 20 10 FFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982954 739305797 /nfs/dbraw/zinc/30/57/97/739305797.db2.gz KSDLCAJUPSJDBK-ZIAGYGMSSA-N 1 0 353.894 2.694 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792975390 739725459 /nfs/dbraw/zinc/72/54/59/739725459.db2.gz HROAVYWHGNKMQH-NSHDSACASA-N 1 0 352.422 2.684 20 10 FFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(C)cc1O ZINC000794805809 739932552 /nfs/dbraw/zinc/93/25/52/739932552.db2.gz YNWUWZXTGRHVCN-GOSISDBHSA-N 1 0 362.495 2.861 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1F ZINC000800311168 740511162 /nfs/dbraw/zinc/51/11/62/740511162.db2.gz KMKUZZNPVGWZMH-UHFFFAOYSA-N 1 0 364.486 2.639 20 10 FFCDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c(O)c1 ZINC000800311807 740511194 /nfs/dbraw/zinc/51/11/94/740511194.db2.gz NKZKLAPTVDFLEO-UHFFFAOYSA-N 1 0 363.479 2.538 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccsc3)CC2)cc1 ZINC000801569093 740632910 /nfs/dbraw/zinc/63/29/10/740632910.db2.gz BNNDUYYPUVWWRJ-HNNXBMFYSA-N 1 0 359.495 2.756 20 10 FFCDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c(O)cccc1Cl ZINC000801735636 740646799 /nfs/dbraw/zinc/64/67/99/740646799.db2.gz WBVWZVDZXRIKJA-CYBMUJFWSA-N 1 0 368.886 2.892 20 10 FFCDRO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000809980865 741369400 /nfs/dbraw/zinc/36/94/00/741369400.db2.gz VCQPOZGPOFCBNR-IFXJQAMLSA-N 1 0 351.491 2.679 20 10 FFCDRO S=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CCC1 ZINC000814200740 741802885 /nfs/dbraw/zinc/80/28/85/741802885.db2.gz HCNXTXHLTDRUOD-UHFFFAOYSA-N 1 0 358.555 2.735 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815558582 741945231 /nfs/dbraw/zinc/94/52/31/741945231.db2.gz IDJQIGBTXOACOI-HNNXBMFYSA-N 1 0 354.516 2.864 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000816940451 742074797 /nfs/dbraw/zinc/07/47/97/742074797.db2.gz DIQRMBNLASROEI-LBPRGKRZSA-N 1 0 355.276 2.845 20 10 FFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819062056 742332658 /nfs/dbraw/zinc/33/26/58/742332658.db2.gz AJWJOPVKAKHFKP-CQSZACIVSA-N 1 0 354.497 2.966 20 10 FFCDRO C[NH+](C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1cccs1 ZINC000819166309 742346755 /nfs/dbraw/zinc/34/67/55/742346755.db2.gz TTZNWQJOQNAFAG-CQSZACIVSA-N 1 0 359.451 2.521 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655208 743124110 /nfs/dbraw/zinc/12/41/10/743124110.db2.gz VARNBWDFJPIVFG-KCPJHIHWSA-N 1 0 356.260 2.517 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 ZINC000824820736 743154809 /nfs/dbraw/zinc/15/48/09/743154809.db2.gz LMRWLTVBSQXFOW-HUUCEWRRSA-N 1 0 355.404 2.595 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)c(C)cc2O)s1 ZINC000825375021 743258321 /nfs/dbraw/zinc/25/83/21/743258321.db2.gz INAYKWFKHRCWFD-UHFFFAOYSA-N 1 0 374.915 2.792 20 10 FFCDRO OCCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1O ZINC000825922118 743343426 /nfs/dbraw/zinc/34/34/26/743343426.db2.gz IUWXIEKWHWLVGK-UHFFFAOYSA-N 1 0 351.244 2.934 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(C(F)(F)F)c1 ZINC000826852010 743455516 /nfs/dbraw/zinc/45/55/16/743455516.db2.gz JOQVPLBZZNKFCO-ZDUSSCGKSA-N 1 0 353.392 2.885 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NCC[NH+]3CCCCCC3)cs2)cc1 ZINC000826903907 743467249 /nfs/dbraw/zinc/46/72/49/743467249.db2.gz YZALMUUTVQDMMF-UHFFFAOYSA-N 1 0 358.511 2.922 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(Cl)c(C(=O)OC)n2)c1O ZINC000826981461 743483064 /nfs/dbraw/zinc/48/30/64/743483064.db2.gz XHYCLIUQXJUOFD-UHFFFAOYSA-N 1 0 350.802 2.916 20 10 FFCDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000827634393 744951177 /nfs/dbraw/zinc/95/11/77/744951177.db2.gz OIZVYAOCNFUHPX-LBPRGKRZSA-N 1 0 353.260 2.599 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1SC ZINC000827661931 744957173 /nfs/dbraw/zinc/95/71/73/744957173.db2.gz IIAVTVMBZWWOSQ-QRVBRYPASA-N 1 0 350.528 2.646 20 10 FFCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000830798857 745432098 /nfs/dbraw/zinc/43/20/98/745432098.db2.gz RYIZAFYZFHCVIL-UONOGXRCSA-N 1 0 355.276 2.891 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2sccc2OC(F)F)cc1 ZINC000832273595 745669874 /nfs/dbraw/zinc/66/98/74/745669874.db2.gz PAGSJMUMTNBSAC-LBPRGKRZSA-N 1 0 355.410 2.845 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cncc(C(F)(F)F)c2)cc1 ZINC000832284818 745671490 /nfs/dbraw/zinc/67/14/90/745671490.db2.gz MUNIKZIGEMYFRS-OAHLLOKOSA-N 1 0 352.360 2.596 20 10 FFCDRO COC(=O)c1cnc(SC[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000834383785 745828409 /nfs/dbraw/zinc/82/84/09/745828409.db2.gz WAHUXDXACXTIRG-ZDUSSCGKSA-N 1 0 352.481 2.515 20 10 FFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)CCOCC1 ZINC000834519756 745852735 /nfs/dbraw/zinc/85/27/35/745852735.db2.gz ZNPPILWJBKMBQE-INIZCTEOSA-N 1 0 350.528 2.914 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3cccc(O)c32)c(C)s1 ZINC000834689065 745883572 /nfs/dbraw/zinc/88/35/72/745883572.db2.gz IUAHEOXOVQSGSD-CQSZACIVSA-N 1 0 366.508 2.626 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834850436 745913996 /nfs/dbraw/zinc/91/39/96/745913996.db2.gz MLDGNUCGVGNRPR-OCCSQVGLSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834851480 745914512 /nfs/dbraw/zinc/91/45/12/745914512.db2.gz YAQVOBVFOQXRPE-JSGCOSHPSA-N 1 0 357.292 2.652 20 10 FFCDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCCSc3nccs3)C2)C1 ZINC000838515217 746656025 /nfs/dbraw/zinc/65/60/25/746656025.db2.gz KPPWCKMUAAGEFO-MRXNPFEDSA-N 1 0 354.545 2.753 20 10 FFCDRO COCc1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000838944947 746742959 /nfs/dbraw/zinc/74/29/59/746742959.db2.gz QJWGQUPLCDCVRP-HNNXBMFYSA-N 1 0 365.861 2.934 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000839465195 746832756 /nfs/dbraw/zinc/83/27/56/746832756.db2.gz VBHSBXFJWOGEGI-UHFFFAOYSA-N 1 0 360.889 2.963 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CC1(C)C ZINC000840724416 747167175 /nfs/dbraw/zinc/16/71/75/747167175.db2.gz VUFKHTJDWQFRIS-QZTJIDSGSA-N 1 0 350.528 2.836 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCC23CCOCC3)cc(F)c1N1CCOCC1 ZINC000840758732 747174598 /nfs/dbraw/zinc/17/45/98/747174598.db2.gz QQTDEQUREHCUKC-QGZVFWFLSA-N 1 0 352.425 2.850 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c(Cl)c1 ZINC000840879271 747210547 /nfs/dbraw/zinc/21/05/47/747210547.db2.gz SOVNFHJQVNPLNK-QGZVFWFLSA-N 1 0 360.885 2.863 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840888085 747213073 /nfs/dbraw/zinc/21/30/73/747213073.db2.gz XJMGVYPNKPSZNY-VMGRFDJRSA-N 1 0 358.404 2.862 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000840911413 747221833 /nfs/dbraw/zinc/22/18/33/747221833.db2.gz ZTOJRRNBCINFET-UHFFFAOYSA-N 1 0 357.420 2.952 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840938892 747235689 /nfs/dbraw/zinc/23/56/89/747235689.db2.gz HUFLNLFYXKUTBX-UHFFFAOYSA-N 1 0 360.907 2.505 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000841771546 747455445 /nfs/dbraw/zinc/45/54/45/747455445.db2.gz XXMMCEWZSRDQIF-UKRRQHHQSA-N 1 0 357.420 2.652 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000841793861 747461123 /nfs/dbraw/zinc/46/11/23/747461123.db2.gz PTWPNYZHPYCNFS-MRXNPFEDSA-N 1 0 354.445 2.705 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841856419 747477331 /nfs/dbraw/zinc/47/73/31/747477331.db2.gz JHISLFKWQVIALU-KGLIPLIRSA-N 1 0 354.545 2.656 20 10 FFCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)C1(O)CCOCC1 ZINC000841889962 747482364 /nfs/dbraw/zinc/48/23/64/747482364.db2.gz JLSJJPMTMXEMFB-UHFFFAOYSA-N 1 0 358.276 2.812 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000842644694 747647155 /nfs/dbraw/zinc/64/71/55/747647155.db2.gz SWUHIGVXYUFVDQ-KRWDZBQOSA-N 1 0 356.388 2.771 20 10 FFCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000843122918 747776560 /nfs/dbraw/zinc/77/65/60/747776560.db2.gz XDSUIZCMSAIHBU-HOTGVXAUSA-N 1 0 350.438 2.717 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000844162344 747982363 /nfs/dbraw/zinc/98/23/63/747982363.db2.gz IBOYZWMGGBUFJH-KRWDZBQOSA-N 1 0 351.441 2.880 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000844322889 748004582 /nfs/dbraw/zinc/00/45/82/748004582.db2.gz QIXBOIQDSIKZNI-GFCCVEGCSA-N 1 0 367.902 2.904 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000846170776 748419400 /nfs/dbraw/zinc/41/94/00/748419400.db2.gz ZTAPDXCGWWMPBC-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000846222141 748433308 /nfs/dbraw/zinc/43/33/08/748433308.db2.gz GPLIQQNDALUQKR-FDQGKXFDSA-N 1 0 366.889 2.967 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000848517317 748947364 /nfs/dbraw/zinc/94/73/64/748947364.db2.gz GVZYRUZIRXNTGJ-JTQLQIEISA-N 1 0 371.275 2.825 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000848530634 748951433 /nfs/dbraw/zinc/95/14/33/748951433.db2.gz ISYNVCWXVJYHTM-JTQLQIEISA-N 1 0 371.275 2.860 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000848549446 748957119 /nfs/dbraw/zinc/95/71/19/748957119.db2.gz OYVPBMASKTWXDN-GSDQLPOLSA-N 1 0 362.289 2.725 20 10 FFCDRO O=[S@@](CC[NH2+]Cc1cc(Br)ccc1O)CC(F)(F)F ZINC000850347894 749346763 /nfs/dbraw/zinc/34/67/63/749346763.db2.gz ABJYCAPTRULSJQ-IBGZPJMESA-N 1 0 360.195 2.555 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CS1(=O)=O ZINC000850368899 749354166 /nfs/dbraw/zinc/35/41/66/749354166.db2.gz GIWURYBUPORKAL-YPMHNXCESA-N 1 0 364.433 2.827 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850520798 749381284 /nfs/dbraw/zinc/38/12/84/749381284.db2.gz YLURBAQFJIZLDQ-PSASIEDQSA-N 1 0 355.353 2.646 20 10 FFCDRO NS(=O)(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)co1 ZINC000851770278 749668558 /nfs/dbraw/zinc/66/85/58/749668558.db2.gz OMIUNCDQHILNDL-UHFFFAOYSA-N 1 0 350.440 2.577 20 10 FFCDRO COc1cc(Br)cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1O ZINC000093479665 845613654 /nfs/dbraw/zinc/61/36/54/845613654.db2.gz KOJBUEZZWMQBBA-YWXMQNBFSA-N 1 0 356.260 2.756 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000390093058 845841111 /nfs/dbraw/zinc/84/11/11/845841111.db2.gz FNJYLHLAARLZEU-OAHLLOKOSA-N 1 0 354.422 2.647 20 10 FFCDRO C[C@H](O)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000729544543 970799855 /nfs/dbraw/zinc/79/98/55/970799855.db2.gz HTAZWXFMEYISTD-KRWDZBQOSA-N 1 0 361.530 2.727 20 10 FFCDRO COc1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c(O)c1OC ZINC000893207135 970956351 /nfs/dbraw/zinc/95/63/51/970956351.db2.gz YWQZKEGBTHOIQD-UHFFFAOYSA-N 1 0 372.343 2.992 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837076 1013057879 /nfs/dbraw/zinc/05/78/79/1013057879.db2.gz BDLNIZRWTDAOGQ-SWLSCSKDSA-N 1 0 364.873 2.741 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001275838256 1013063599 /nfs/dbraw/zinc/06/35/99/1013063599.db2.gz USKTXYOGOJTCQS-IBGZPJMESA-N 1 0 366.889 2.895 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000896573443 971593134 /nfs/dbraw/zinc/59/31/34/971593134.db2.gz USMCNNZPKVHSNL-MGPUTAFESA-N 1 0 372.488 2.597 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000896573445 971593351 /nfs/dbraw/zinc/59/33/51/971593351.db2.gz USMCNNZPKVHSNL-YWZLYKJASA-N 1 0 372.488 2.597 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001275895408 1013155563 /nfs/dbraw/zinc/15/55/63/1013155563.db2.gz ZUFCQDNPBXKOKK-UHFFFAOYSA-N 1 0 366.889 2.897 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccnn2)C1 ZINC000683453944 960760028 /nfs/dbraw/zinc/76/00/28/960760028.db2.gz RETDGQMGASYMKH-UHFFFAOYSA-N 1 0 363.465 2.514 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn[nH]c2)NC(=O)OC(C)(C)C)cc1 ZINC000773409657 1013307270 /nfs/dbraw/zinc/30/72/70/1013307270.db2.gz OALRVKYKMHKSBW-QGZVFWFLSA-N 1 0 359.474 2.831 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cncc(F)c2)[NH+](C)C)cc1 ZINC000891242284 962529711 /nfs/dbraw/zinc/52/97/11/962529711.db2.gz DPZSCOIQCIVNJT-CEQQRPIWSA-N 1 0 356.445 2.719 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(O)c(F)c2)[NH+](C)C)cc1 ZINC000891249576 962584906 /nfs/dbraw/zinc/58/49/06/962584906.db2.gz RNQZRCBAYRIHNK-GOSISDBHSA-N 1 0 359.445 2.559 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/C2(C)CCOCC2)[NH+](C)C)cc1 ZINC000891250515 962592169 /nfs/dbraw/zinc/59/21/69/962592169.db2.gz WLPFNZBSINQRHU-GNISGLHKSA-N 1 0 359.514 2.844 20 10 FFCDRO CC(C)c1noc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891252095 962597860 /nfs/dbraw/zinc/59/78/60/962597860.db2.gz GEKKQJQTFUZJAX-QGZVFWFLSA-N 1 0 373.501 2.611 20 10 FFCDRO Cc1cc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)[nH]1 ZINC000891251045 962601064 /nfs/dbraw/zinc/60/10/64/962601064.db2.gz CJLRVOOUXYGQJE-QGZVFWFLSA-N 1 0 356.470 2.503 20 10 FFCDRO CN(C)c1ccc(CN(C)Cc2nc(Br)cnc2N)cc1 ZINC001140263592 962856410 /nfs/dbraw/zinc/85/64/10/962856410.db2.gz JKGUDBDIBJJDCQ-UHFFFAOYSA-N 1 0 350.264 2.519 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001276064257 1013387365 /nfs/dbraw/zinc/38/73/65/1013387365.db2.gz RAVOIBAITKHWCX-HXUWFJFHSA-N 1 0 362.445 2.548 20 10 FFCDRO CC(C)(C)C(=O)CN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001276063706 1013387707 /nfs/dbraw/zinc/38/77/07/1013387707.db2.gz JWXISLOJMLBPQO-FQEVSTJZSA-N 1 0 362.445 2.571 20 10 FFCDRO CCOC(=O)c1cc(C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167427092 963029382 /nfs/dbraw/zinc/02/93/82/963029382.db2.gz XEUZZMCVJICIHQ-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1Cn1cccn1 ZINC000873135946 1013397398 /nfs/dbraw/zinc/39/73/98/1013397398.db2.gz QQNPKSYIXIOWOV-DFQSSKMNSA-N 1 0 373.497 2.596 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)[C@@H](O)CCO4)cc2)CC1 ZINC001167434332 963177588 /nfs/dbraw/zinc/17/75/88/963177588.db2.gz JIUYQRNEJGWTFN-FQEVSTJZSA-N 1 0 353.466 2.866 20 10 FFCDRO O=c1[nH]c2cc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)ccc2o1 ZINC000873172687 1013413813 /nfs/dbraw/zinc/41/38/13/1013413813.db2.gz FCWCEBJZJMLLPW-UHFFFAOYSA-N 1 0 357.385 2.799 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC4(C[NH+](C)C4)C3)ccc21 ZINC000684173292 963569876 /nfs/dbraw/zinc/56/98/76/963569876.db2.gz YTXJIYXBUSXLEY-UHFFFAOYSA-N 1 0 355.482 2.682 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000588408006 963723495 /nfs/dbraw/zinc/72/34/95/963723495.db2.gz RCNJDPNJPFSSPJ-FYGXRCCRSA-N 1 0 352.434 2.892 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c(O)c1OC ZINC000894303199 964412831 /nfs/dbraw/zinc/41/28/31/964412831.db2.gz ZFFCDXIOQUDBMZ-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891565636 964494368 /nfs/dbraw/zinc/49/43/68/964494368.db2.gz QRMIIXUTTYPMFW-UHFFFAOYSA-N 1 0 352.482 2.706 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc([C@@H](C)O)n3)CC2)cc1 ZINC000891591356 964526393 /nfs/dbraw/zinc/52/63/93/964526393.db2.gz BEOMRYKUVYUVDL-QGZVFWFLSA-N 1 0 370.497 2.768 20 10 FFCDRO COc1ccccc1CN1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891925398 965415023 /nfs/dbraw/zinc/41/50/23/965415023.db2.gz FLBXJNWOXKIMFA-UHFFFAOYSA-N 1 0 372.465 2.736 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000052465261 967612568 /nfs/dbraw/zinc/61/25/68/967612568.db2.gz LIOAAAHBOMVYHQ-HDICACEKSA-N 1 0 359.514 2.712 20 10 FFCDRO COc1cccc([C@H](CNC(=O)N(C)Cc2ccccc2O)[NH+](C)C)c1 ZINC000126865730 967689880 /nfs/dbraw/zinc/68/98/80/967689880.db2.gz DSDLDDWQZMJOIR-SFHVURJKSA-N 1 0 357.454 2.845 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000892400521 968269325 /nfs/dbraw/zinc/26/93/25/968269325.db2.gz SRLXIOAYHWRDFL-HOCLYGCPSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000892400519 968269651 /nfs/dbraw/zinc/26/96/51/968269651.db2.gz SRLXIOAYHWRDFL-GDBMZVCRSA-N 1 0 357.454 2.721 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCC[C@@H]2CCOC2=O)c2cc(F)ccc2n1C ZINC000895474662 970655993 /nfs/dbraw/zinc/65/59/93/970655993.db2.gz QCFCMRKLAZWULL-GFCCVEGCSA-N 1 0 362.401 2.537 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCC3(C[NH+](C)C)CCCC3)ccc21 ZINC000760107821 973281398 /nfs/dbraw/zinc/28/13/98/973281398.db2.gz YTWMPJDEHCELEC-UHFFFAOYSA-N 1 0 358.530 2.990 20 10 FFCDRO c1ccc(N(CCN2CCOCC2)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662261276 975387414 /nfs/dbraw/zinc/38/74/14/975387414.db2.gz WFKQPWFKCCQAGB-UHFFFAOYSA-N 1 0 351.494 2.671 20 10 FFCDRO CCOc1cccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876507258 1014288031 /nfs/dbraw/zinc/28/80/31/1014288031.db2.gz ZDWQTHDHKNANGT-FQEVSTJZSA-N 1 0 355.482 2.900 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1C ZINC000876531706 1014294062 /nfs/dbraw/zinc/29/40/62/1014294062.db2.gz MQGBTKVKVOXTLL-QGZVFWFLSA-N 1 0 358.438 2.699 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)N(C)C)cc1 ZINC000898449682 976460785 /nfs/dbraw/zinc/46/07/85/976460785.db2.gz JCCQSCTXCDCQEJ-GOSISDBHSA-N 1 0 372.479 2.972 20 10 FFCDRO COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447777 976469637 /nfs/dbraw/zinc/46/96/37/976469637.db2.gz LXFXBUGOYVQRDL-FPOVZHCZSA-N 1 0 363.546 2.777 20 10 FFCDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001142587850 976632117 /nfs/dbraw/zinc/63/21/17/976632117.db2.gz ASPNOLOICHLQMX-UHFFFAOYSA-N 1 0 359.392 2.574 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066989539 976797746 /nfs/dbraw/zinc/79/77/46/976797746.db2.gz CHPKHRCBDUFTRJ-GOSISDBHSA-N 1 0 374.456 2.500 20 10 FFCDRO Cc1ccncc1CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102147 976911920 /nfs/dbraw/zinc/91/19/20/976911920.db2.gz KIODBRQVSFYABW-HXUWFJFHSA-N 1 0 369.513 2.900 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000899102533 976914106 /nfs/dbraw/zinc/91/41/06/976914106.db2.gz QGHDQJBFWAITPR-SFHVURJKSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H]3CCCO3)C2)[NH+](C)C)cc1 ZINC000899098465 976921903 /nfs/dbraw/zinc/92/19/03/976921903.db2.gz OUZCZVKLVUQROJ-IHPCNDPISA-N 1 0 374.529 2.566 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000107927084 977304380 /nfs/dbraw/zinc/30/43/80/977304380.db2.gz RUCJNICRIXVZED-IAGOWNOFSA-N 1 0 370.497 2.718 20 10 FFCDRO O=C1CCCCN1C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876775296 1014387920 /nfs/dbraw/zinc/38/79/20/1014387920.db2.gz TVIXXIBIFTYTFM-UHFFFAOYSA-N 1 0 371.525 2.625 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000876873307 1014407140 /nfs/dbraw/zinc/40/71/40/1014407140.db2.gz CFSPULYGSNCZPY-FQEVSTJZSA-N 1 0 355.482 2.680 20 10 FFCDRO Cc1noc2ncc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc12 ZINC000893911885 977595440 /nfs/dbraw/zinc/59/54/40/977595440.db2.gz ZCUYJTOGWVMJOH-UHFFFAOYSA-N 1 0 352.438 3.000 20 10 FFCDRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876995206 1014443501 /nfs/dbraw/zinc/44/35/01/1014443501.db2.gz BRLFNCPUYSXMKD-UHFFFAOYSA-N 1 0 353.466 2.659 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000876998794 1014445014 /nfs/dbraw/zinc/44/50/14/1014445014.db2.gz NHDNGFQUYCJDON-UHFFFAOYSA-N 1 0 357.454 2.959 20 10 FFCDRO CN(c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1)C1CCCCC1 ZINC000237054685 978067355 /nfs/dbraw/zinc/06/73/55/978067355.db2.gz MHPSQHAMOUVWIA-FQEVSTJZSA-N 1 0 359.514 2.840 20 10 FFCDRO Cc1noc2ncc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)cc12 ZINC000894202144 978138024 /nfs/dbraw/zinc/13/80/24/978138024.db2.gz FIWZQVZAAVNAHS-UHFFFAOYSA-N 1 0 370.428 2.921 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000728978205 978138067 /nfs/dbraw/zinc/13/80/67/978138067.db2.gz BSQULOGYEPJQDD-WBVHZDCISA-N 1 0 369.465 2.885 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000877082781 1014471210 /nfs/dbraw/zinc/47/12/10/1014471210.db2.gz CKVCHPCJELGPHC-QVKFZJNVSA-N 1 0 358.457 2.999 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)c1cccc(F)c1 ZINC000877082782 1014471282 /nfs/dbraw/zinc/47/12/82/1014471282.db2.gz CKVCHPCJELGPHC-VFNWGFHPSA-N 1 0 358.457 2.999 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2=O)cc1 ZINC000894261998 978493236 /nfs/dbraw/zinc/49/32/36/978493236.db2.gz LCHLWRUYAAYPKE-GOSISDBHSA-N 1 0 370.449 2.609 20 10 FFCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000877361100 1014562548 /nfs/dbraw/zinc/56/25/48/1014562548.db2.gz QCGYFAHCYDRYJX-UKRRQHHQSA-N 1 0 366.387 2.698 20 10 FFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877464134 1014591856 /nfs/dbraw/zinc/59/18/56/1014591856.db2.gz GXIAODJIWJXKOH-FQEVSTJZSA-N 1 0 354.494 2.649 20 10 FFCDRO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccn1 ZINC000877523460 1014611667 /nfs/dbraw/zinc/61/16/67/1014611667.db2.gz ZYSBNGCVPNDMPD-UHFFFAOYSA-N 1 0 355.482 2.691 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCN(c4ccnc(F)c4)CC3)cc2)CC1 ZINC000877565230 1014628814 /nfs/dbraw/zinc/62/88/14/1014628814.db2.gz DMVLSITVCOVNSE-UHFFFAOYSA-N 1 0 370.472 2.504 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccccc3C[NH3+])C2)cc1 ZINC000904629442 980314174 /nfs/dbraw/zinc/31/41/74/980314174.db2.gz WEYRAXRSZXBUCZ-HNNXBMFYSA-N 1 0 354.454 2.802 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)Nc3ccccc3C[NH3+])CC2)cc1 ZINC000904660401 980322131 /nfs/dbraw/zinc/32/21/31/980322131.db2.gz SGGIKWBTNWLPNL-UHFFFAOYSA-N 1 0 354.454 2.944 20 10 FFCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877632143 1014654876 /nfs/dbraw/zinc/65/48/76/1014654876.db2.gz ZVLGJFUGLUIQOF-SIKLNZKXSA-N 1 0 368.525 2.882 20 10 FFCDRO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877649883 1014662777 /nfs/dbraw/zinc/66/27/77/1014662777.db2.gz AGRPHIMYGKCMBX-UHFFFAOYSA-N 1 0 368.477 2.653 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000906419783 980654114 /nfs/dbraw/zinc/65/41/14/980654114.db2.gz OHUCCSSNXCUHPT-MJGOQNOKSA-N 1 0 359.514 2.822 20 10 FFCDRO CC(C)[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000729607239 980717624 /nfs/dbraw/zinc/71/76/24/980717624.db2.gz WWMIPOGCRCTKAM-HXUWFJFHSA-N 1 0 358.530 2.989 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)c1ccccc1O ZINC000877758355 1014714455 /nfs/dbraw/zinc/71/44/55/1014714455.db2.gz VLFGCLQVFBDCII-KRWDZBQOSA-N 1 0 356.466 2.954 20 10 FFCDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877756613 1014714947 /nfs/dbraw/zinc/71/49/47/1014714947.db2.gz YBVQLEWFFXNRCK-HUUCEWRRSA-N 1 0 362.470 2.623 20 10 FFCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CCCC2 ZINC000877777658 1014724526 /nfs/dbraw/zinc/72/45/26/1014724526.db2.gz DIVVCJGGVAGUHP-UHFFFAOYSA-N 1 0 367.493 2.917 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1O ZINC000877803748 1014734371 /nfs/dbraw/zinc/73/43/71/1014734371.db2.gz YRTCMNVGUGROPW-QRVBRYPASA-N 1 0 360.498 2.586 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000877976096 1014792166 /nfs/dbraw/zinc/79/21/66/1014792166.db2.gz FUDVDEVDQUJCLG-UHFFFAOYSA-N 1 0 356.470 2.732 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000897740505 982506911 /nfs/dbraw/zinc/50/69/11/982506911.db2.gz AOMWZSUOTNEZDK-ZDUSSCGKSA-N 1 0 370.440 2.869 20 10 FFCDRO COC(=O)C[C@@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000898299024 982675621 /nfs/dbraw/zinc/67/56/21/982675621.db2.gz CHEPACFOFVJAAU-MRXNPFEDSA-N 1 0 359.422 2.673 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000164415386 984366480 /nfs/dbraw/zinc/36/64/80/984366480.db2.gz UEMCGEQEIDFJKZ-QGZVFWFLSA-N 1 0 362.514 2.995 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000764427179 984486513 /nfs/dbraw/zinc/48/65/13/984486513.db2.gz ONXVKRFLWKWHMS-OAQYLSRUSA-N 1 0 371.525 2.937 20 10 FFCDRO CN(Cc1ccc(-n2cncn2)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222130 984933896 /nfs/dbraw/zinc/93/38/96/984933896.db2.gz IFGIYWNTKGPLGP-UHFFFAOYSA-N 1 0 369.444 2.983 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)cc1 ZINC000765399998 985069188 /nfs/dbraw/zinc/06/91/88/985069188.db2.gz CKNGOTYHODFBFC-IBGZPJMESA-N 1 0 361.530 2.753 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000765669295 985280314 /nfs/dbraw/zinc/28/03/14/985280314.db2.gz KGRALFDBAJDYJO-FGTMMUONSA-N 1 0 374.529 2.708 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COCc3ccccc3)CC2)cc1 ZINC000765730859 985391687 /nfs/dbraw/zinc/39/16/87/985391687.db2.gz HRNYXNGPXQMVNG-OAQYLSRUSA-N 1 0 370.493 2.831 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765733836 985403611 /nfs/dbraw/zinc/40/36/11/985403611.db2.gz ZYOSSLQQXYYGOY-PGRDOPGGSA-N 1 0 370.493 2.752 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001232976524 986350388 /nfs/dbraw/zinc/35/03/88/986350388.db2.gz SAKBYPUVOCHESJ-OAHLLOKOSA-N 1 0 373.234 2.999 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000913682511 986820578 /nfs/dbraw/zinc/82/05/78/986820578.db2.gz KHQMXQWTPMCEDB-UHFFFAOYSA-N 1 0 355.482 2.623 20 10 FFCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000914180578 987344840 /nfs/dbraw/zinc/34/48/40/987344840.db2.gz ROXALLDLNJYSLO-UHFFFAOYSA-N 1 0 353.470 2.747 20 10 FFCDRO Cn1cc(/C=C\C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000761980368 988019887 /nfs/dbraw/zinc/01/98/87/988019887.db2.gz BKOSSOYPRFMKAX-IMXKFXGHSA-N 1 0 374.872 2.573 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)COC4)cc2)CC1 ZINC000879082490 1015355191 /nfs/dbraw/zinc/35/51/91/1015355191.db2.gz BZBUSPCSKTWUGN-UHFFFAOYSA-N 1 0 366.465 2.790 20 10 FFCDRO CCn1nc(C)c(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000879090558 1015358651 /nfs/dbraw/zinc/35/86/51/1015358651.db2.gz BPDHJOIAWGAIBO-UHFFFAOYSA-N 1 0 370.501 2.593 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000922563143 988695279 /nfs/dbraw/zinc/69/52/79/988695279.db2.gz ARYHJLLVQHJPGN-OAQYLSRUSA-N 1 0 358.457 2.784 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)cc1Cn1cccn1 ZINC000922806674 988928593 /nfs/dbraw/zinc/92/85/93/988928593.db2.gz ZZTWWCSJUXPTIL-LJQANCHMSA-N 1 0 371.481 2.758 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+]2CCCC2)cc1 ZINC000186740782 989158785 /nfs/dbraw/zinc/15/87/85/989158785.db2.gz JIBWVXCYAZLOCH-QGZVFWFLSA-N 1 0 356.422 2.673 20 10 FFCDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090760 989840782 /nfs/dbraw/zinc/84/07/82/989840782.db2.gz CJXXYQGVOLWWPM-WIYYLYMNSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCC(C)CC1 ZINC000154219686 990031183 /nfs/dbraw/zinc/03/11/83/990031183.db2.gz SNBWYZGFZAXQJY-SFHVURJKSA-N 1 0 356.514 2.982 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000917082944 990120489 /nfs/dbraw/zinc/12/04/89/990120489.db2.gz VQPQYMBCWJWQGJ-DZFYGRHCSA-N 1 0 359.426 2.846 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnc3ccccc3n2)ccc1N1CCOCC1 ZINC000917435707 990219715 /nfs/dbraw/zinc/21/97/15/990219715.db2.gz QIOWRIVUDZKSTL-UHFFFAOYSA-N 1 0 352.413 2.895 20 10 FFCDRO c1ccc(C[NH+]2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000154484672 990261722 /nfs/dbraw/zinc/26/17/22/990261722.db2.gz JEBAXUYIYPJJPR-UHFFFAOYSA-N 1 0 351.494 2.841 20 10 FFCDRO C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC000237540935 991113242 /nfs/dbraw/zinc/11/32/42/991113242.db2.gz JJOYUKHASLESMX-VBZNHOPUSA-N 1 0 357.498 2.621 20 10 FFCDRO CC[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC001484188252 991453059 /nfs/dbraw/zinc/45/30/59/991453059.db2.gz RJKXLOZHKLEJQX-QZTJIDSGSA-N 1 0 360.498 2.805 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)c(O)c3)cc2F)CC1 ZINC000181051801 991597058 /nfs/dbraw/zinc/59/70/58/991597058.db2.gz ZEJOUDREGKBNFD-UHFFFAOYSA-N 1 0 371.456 2.912 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000181188391 991657864 /nfs/dbraw/zinc/65/78/64/991657864.db2.gz QPLCWTOYLNHVLU-TZCIALRTSA-N 1 0 352.434 2.890 20 10 FFCDRO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000182467435 992061376 /nfs/dbraw/zinc/06/13/76/992061376.db2.gz HFURMBGMAZDBDQ-CQSZACIVSA-N 1 0 358.438 2.767 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000185213432 993233791 /nfs/dbraw/zinc/23/37/91/993233791.db2.gz FRVINVSCULUXQA-KRWDZBQOSA-N 1 0 353.466 2.700 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]CCCc3cnccc3C)CC2)cc1 ZINC000809609476 994548432 /nfs/dbraw/zinc/54/84/32/994548432.db2.gz FAIQAGDFIYDUEJ-UHFFFAOYSA-N 1 0 368.525 2.743 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2C)cc1C ZINC001082443736 994646769 /nfs/dbraw/zinc/64/67/69/994646769.db2.gz FNLOBVBTUVGMFZ-RHSMWYFYSA-N 1 0 357.429 2.788 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(C(=O)[O-])ccc1O ZINC001593303554 994734391 /nfs/dbraw/zinc/73/43/91/994734391.db2.gz GAEZWDHXHMOJFQ-KSSFIOAISA-N 1 0 370.449 2.508 20 10 FFCDRO C[C@H]1Cc2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2O1 ZINC001133123488 995333107 /nfs/dbraw/zinc/33/31/07/995333107.db2.gz NWPFGOLIZHIROU-INIZCTEOSA-N 1 0 365.477 2.692 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(=O)cc3C)C[C@H]2C)cc1C ZINC001082732735 995378554 /nfs/dbraw/zinc/37/85/54/995378554.db2.gz UCFVLKZGPXUNEG-CRAIPNDOSA-N 1 0 369.465 2.663 20 10 FFCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n(C)c1C ZINC000812747347 995523724 /nfs/dbraw/zinc/52/37/24/995523724.db2.gz WTVBZPQQJXWWJB-HNNXBMFYSA-N 1 0 371.481 2.808 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@H]2C)cc1C ZINC001082860882 995643120 /nfs/dbraw/zinc/64/31/20/995643120.db2.gz VKTWPUYMTCHZEO-NVXWUHKLSA-N 1 0 370.497 2.641 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000730227353 996994614 /nfs/dbraw/zinc/99/46/14/996994614.db2.gz CMKVDGDIPHLVAI-QGZVFWFLSA-N 1 0 368.525 2.768 20 10 FFCDRO Cc1cc(C(=O)Cn2cc(CC[NH3+])nn2)c(C)n1-c1ccc(C)c(F)c1 ZINC000881037243 1016091869 /nfs/dbraw/zinc/09/18/69/1016091869.db2.gz ZYINQEKAIGZWSX-UHFFFAOYSA-N 1 0 355.417 2.517 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000844176100 997694587 /nfs/dbraw/zinc/69/45/87/997694587.db2.gz MMSMYZGNLMOFKY-UUXHPUJUSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)nc1 ZINC000844713559 998084689 /nfs/dbraw/zinc/08/46/89/998084689.db2.gz UUMSNRAQMBQHNF-IBGZPJMESA-N 1 0 356.422 2.601 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4n3)CC2)cc1 ZINC001144188357 998134206 /nfs/dbraw/zinc/13/42/06/998134206.db2.gz XQXWJOFGWNOHLC-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000844908033 998244700 /nfs/dbraw/zinc/24/47/00/998244700.db2.gz PKIQRWWCIHKIHJ-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C(C)C)no3)CC2)cc1 ZINC000731901722 998321536 /nfs/dbraw/zinc/32/15/36/998321536.db2.gz KBUFHCAHJBEXSO-UHFFFAOYSA-N 1 0 359.474 2.826 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1cccc(Cl)c1 ZINC000732148319 998508063 /nfs/dbraw/zinc/50/80/63/998508063.db2.gz ZFLWOZXBNGVLHO-GOSISDBHSA-N 1 0 374.916 2.723 20 10 FFCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000732231348 998563144 /nfs/dbraw/zinc/56/31/44/998563144.db2.gz MUDCZXJZIIYHEI-UHFFFAOYSA-N 1 0 353.466 2.814 20 10 FFCDRO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504116 998612119 /nfs/dbraw/zinc/61/21/19/998612119.db2.gz MEBKDEGSKZICFQ-QWHCGFSZSA-N 1 0 366.458 2.929 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)c(O)c1 ZINC001144509010 998622736 /nfs/dbraw/zinc/62/27/36/998622736.db2.gz HLUYSMWQPGCLQG-UHFFFAOYSA-N 1 0 359.304 2.585 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(O)c1 ZINC001144509111 998622787 /nfs/dbraw/zinc/62/27/87/998622787.db2.gz LGKBBXZSWYHVGF-QMMMGPOBSA-N 1 0 359.304 2.585 20 10 FFCDRO O=C1N(CC2CCCC2)CCC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144510013 998623785 /nfs/dbraw/zinc/62/37/85/998623785.db2.gz PPWZZLVNEVQWLY-UHFFFAOYSA-N 1 0 374.481 2.808 20 10 FFCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515945 998627805 /nfs/dbraw/zinc/62/78/05/998627805.db2.gz KBCCTQBAPLSDGA-OAHLLOKOSA-N 1 0 357.406 2.759 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)CC2)cc1 ZINC000732457751 998671829 /nfs/dbraw/zinc/67/18/29/998671829.db2.gz CXCJTCBVKXQVJZ-GOSISDBHSA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C)n2cccn2)cc1C ZINC001085138831 999008024 /nfs/dbraw/zinc/00/80/24/999008024.db2.gz QHXYUDKSKMVXOJ-QXAKKESOSA-N 1 0 370.497 2.978 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(C)cn2)cc1C ZINC001085170153 999062980 /nfs/dbraw/zinc/06/29/80/999062980.db2.gz UHRJRGUTRBWUBX-IAGOWNOFSA-N 1 0 356.470 2.568 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000735491174 999432112 /nfs/dbraw/zinc/43/21/12/999432112.db2.gz BGJODXLSOJCSAS-OPYAIIAOSA-N 1 0 372.557 2.706 20 10 FFCDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000739926560 999657922 /nfs/dbraw/zinc/65/79/22/999657922.db2.gz HIJBSOCSGPWBEL-SFHVURJKSA-N 1 0 359.514 2.998 20 10 FFCDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000741054191 999705581 /nfs/dbraw/zinc/70/55/81/999705581.db2.gz JMMGYVJLOUCCEA-RBUKOAKNSA-N 1 0 361.530 2.846 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 ZINC000741678389 999737221 /nfs/dbraw/zinc/73/72/21/999737221.db2.gz QUXYUXRWAQRKHK-OAHLLOKOSA-N 1 0 362.518 2.977 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c1O ZINC000742161405 999763026 /nfs/dbraw/zinc/76/30/26/999763026.db2.gz IXPFEBREWNXVLJ-INIZCTEOSA-N 1 0 352.434 2.778 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000767792856 1000145872 /nfs/dbraw/zinc/14/58/72/1000145872.db2.gz VMEDWXIPIJJNLC-UHFFFAOYSA-N 1 0 371.433 2.713 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000768209080 1000192064 /nfs/dbraw/zinc/19/20/64/1000192064.db2.gz ZCCKWCRZPAHBOC-UHFFFAOYSA-N 1 0 367.497 2.545 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2-n2cncn2)cc1 ZINC000846051323 1000197895 /nfs/dbraw/zinc/19/78/95/1000197895.db2.gz CGULMBPHSFEJIS-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)cc1 ZINC000768321574 1000206240 /nfs/dbraw/zinc/20/62/40/1000206240.db2.gz WRNNEODGJFBZEG-UHFFFAOYSA-N 1 0 361.530 2.634 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)cn1 ZINC000768442609 1000249267 /nfs/dbraw/zinc/24/92/67/1000249267.db2.gz WRATVPSFFRQBFB-UHFFFAOYSA-N 1 0 368.437 2.896 20 10 FFCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464016 1000261285 /nfs/dbraw/zinc/26/12/85/1000261285.db2.gz YXSDZSVHGOQOOG-LJQANCHMSA-N 1 0 371.433 2.773 20 10 FFCDRO CC(C)CO[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768913127 1000384818 /nfs/dbraw/zinc/38/48/18/1000384818.db2.gz FSXKLJPIHSLFDU-GOSISDBHSA-N 1 0 373.541 2.896 20 10 FFCDRO Cc1cc2ccccc2n1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663715 1000403998 /nfs/dbraw/zinc/40/39/98/1000403998.db2.gz MRBLTPVIYMYTGB-LJQANCHMSA-N 1 0 350.466 2.832 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccccc3CC[NH3+])CC2)cc1 ZINC000846672690 1000405807 /nfs/dbraw/zinc/40/58/07/1000405807.db2.gz JQXHVLJDDQTWFE-UHFFFAOYSA-N 1 0 353.466 2.549 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846677404 1000406779 /nfs/dbraw/zinc/40/67/79/1000406779.db2.gz PDTCCAASOQZOPV-QUCCMNQESA-N 1 0 359.514 2.650 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000846860615 1000460805 /nfs/dbraw/zinc/46/08/05/1000460805.db2.gz KSOHLROQJJPFDF-FOIQADDNSA-N 1 0 363.502 2.775 20 10 FFCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001148581808 1001174243 /nfs/dbraw/zinc/17/42/43/1001174243.db2.gz BHAINGMEHASXEA-WBVHZDCISA-N 1 0 368.433 2.540 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000788562687 1001821172 /nfs/dbraw/zinc/82/11/72/1001821172.db2.gz HBNBIQYHQDNHBO-LSDHHAIUSA-N 1 0 359.422 2.828 20 10 FFCDRO CCn1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1=O ZINC000788605829 1001831526 /nfs/dbraw/zinc/83/15/26/1001831526.db2.gz QLBXXMLPJOSBBA-OAHLLOKOSA-N 1 0 359.445 2.695 20 10 FFCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c(O)c(C(C)(C)C)c1 ZINC000789560934 1002128223 /nfs/dbraw/zinc/12/82/23/1002128223.db2.gz NOVIJKVGZZVWGV-AWEZNQCLSA-N 1 0 361.486 2.707 20 10 FFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000774569572 1002162857 /nfs/dbraw/zinc/16/28/57/1002162857.db2.gz HUOKCAFYCZWTOT-UHFFFAOYSA-N 1 0 359.422 2.893 20 10 FFCDRO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC001184022771 1002465896 /nfs/dbraw/zinc/46/58/96/1002465896.db2.gz HBZSIGPRSCMOEQ-QZTJIDSGSA-N 1 0 363.502 2.785 20 10 FFCDRO COc1c(O)c(CN2CC[NH+](Cc3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000774820095 1002806831 /nfs/dbraw/zinc/80/68/31/1002806831.db2.gz VFFYPBPWWMBRBD-UHFFFAOYSA-N 1 0 371.437 2.935 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792892433 1003222331 /nfs/dbraw/zinc/22/23/31/1003222331.db2.gz DEDSTALGPSPJIB-GHTZIAJQSA-N 1 0 361.530 2.755 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000792920586 1003232223 /nfs/dbraw/zinc/23/22/23/1003232223.db2.gz ZBWWXGYVIFKAKS-HFTRVMKXSA-N 1 0 364.461 2.730 20 10 FFCDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)nn1 ZINC000793569776 1003424602 /nfs/dbraw/zinc/42/46/02/1003424602.db2.gz QCDYTQIZKCTJOV-MRXNPFEDSA-N 1 0 371.485 2.796 20 10 FFCDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(C)C ZINC000102562019 1003904719 /nfs/dbraw/zinc/90/47/19/1003904719.db2.gz CNZFWYYLZISMMI-KRWDZBQOSA-N 1 0 362.518 2.614 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1O ZINC001197003888 1004039239 /nfs/dbraw/zinc/03/92/39/1004039239.db2.gz LVKGCYQGGXVHBE-GFCCVEGCSA-N 1 0 371.828 2.916 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(C)c[nH]c3C)CC2)cc1 ZINC001193359644 1004461851 /nfs/dbraw/zinc/46/18/51/1004461851.db2.gz CHCDVXTZJOFJLY-UHFFFAOYSA-N 1 0 370.497 2.582 20 10 FFCDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278662 1004929556 /nfs/dbraw/zinc/92/95/56/1004929556.db2.gz JIOQBDSMNPZCMW-JNVQNEIGSA-N 1 0 362.393 2.939 20 10 FFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000105193964 1005000594 /nfs/dbraw/zinc/00/05/94/1005000594.db2.gz XYTDXUKAKVAEIB-ZWKOTPCHSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000776218088 1005282202 /nfs/dbraw/zinc/28/22/02/1005282202.db2.gz WRMPZNFTTBVTLS-QRQLOZEOSA-N 1 0 352.434 2.647 20 10 FFCDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000776248409 1005316735 /nfs/dbraw/zinc/31/67/35/1005316735.db2.gz ZZLUIBHSDUGIQJ-APWZRJJASA-N 1 0 362.518 2.566 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(O)c(C(C)(C)C)c1 ZINC000850238266 1005798069 /nfs/dbraw/zinc/79/80/69/1005798069.db2.gz CTYKNJIVBOCIJU-MRXNPFEDSA-N 1 0 365.470 2.710 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(C)c(C)cc2O)cc1 ZINC000850341912 1005808724 /nfs/dbraw/zinc/80/87/24/1005808724.db2.gz NTWWXNHGUJEHGR-IBGZPJMESA-N 1 0 359.466 2.727 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(OC)c(O)cc3[N+](=O)[O-])C2)cc1 ZINC000850345881 1005809099 /nfs/dbraw/zinc/80/90/99/1005809099.db2.gz MXBSOZJNRKYWGF-CQSZACIVSA-N 1 0 373.409 2.686 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)ccc1OC ZINC000850352610 1005810266 /nfs/dbraw/zinc/81/02/66/1005810266.db2.gz CFSMXWPOMIVTPZ-GOSISDBHSA-N 1 0 354.450 2.909 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](CO)c3ccc(F)cc3F)cc2)CC1 ZINC000850410025 1005813709 /nfs/dbraw/zinc/81/37/09/1005813709.db2.gz DUTMZQAZQBDOKD-FQEVSTJZSA-N 1 0 361.436 2.540 20 10 FFCDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000850492961 1005818698 /nfs/dbraw/zinc/81/86/98/1005818698.db2.gz RTZHDRBZPDTGPV-HNAYVOBHSA-N 1 0 366.477 2.755 20 10 FFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)CC2)cc1 ZINC000851733412 1005909690 /nfs/dbraw/zinc/90/96/90/1005909690.db2.gz UTEXOZZWVSFZKG-LSTHTHJFSA-N 1 0 357.498 2.655 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccoc3)cc2F)CC1 ZINC000852558592 1006080284 /nfs/dbraw/zinc/08/02/84/1006080284.db2.gz CTYJUVMZYJIIQA-UHFFFAOYSA-N 1 0 374.460 2.603 20 10 FFCDRO CO[C@H]1C[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000881578203 1006149394 /nfs/dbraw/zinc/14/93/94/1006149394.db2.gz XGGLAKLRNCFOAB-QAQDUYKDSA-N 1 0 369.509 2.949 20 10 FFCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1 ZINC000852916468 1006229728 /nfs/dbraw/zinc/22/97/28/1006229728.db2.gz JSFCQBZTKAWYBY-IBGZPJMESA-N 1 0 373.884 2.617 20 10 FFCDRO Oc1ccc2oc3c(c2c1C[NH+]1CCN([C@@H]2CCOC2)CC1)CCCC3 ZINC000853552652 1006441805 /nfs/dbraw/zinc/44/18/05/1006441805.db2.gz IHKBLIXMSNZLDF-OAHLLOKOSA-N 1 0 356.466 2.924 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815015609 1006492563 /nfs/dbraw/zinc/49/25/63/1006492563.db2.gz NIQNLPDVOAAFMD-UHFFFAOYSA-N 1 0 361.530 2.816 20 10 FFCDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(N2CCOCC2)c1 ZINC000815141979 1006527618 /nfs/dbraw/zinc/52/76/18/1006527618.db2.gz LDPQNMJNPZVSDI-UHFFFAOYSA-N 1 0 367.493 2.650 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)ccc1OC ZINC000815167271 1006541196 /nfs/dbraw/zinc/54/11/96/1006541196.db2.gz XHSGLJJGBDMQHR-MISYRCLQSA-N 1 0 359.470 2.937 20 10 FFCDRO C[C@@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000854004986 1006625606 /nfs/dbraw/zinc/62/56/06/1006625606.db2.gz MQFDGWMLOYABIE-VQIMIIECSA-N 1 0 362.518 2.566 20 10 FFCDRO O=C(NCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O)c1ccn[nH]1 ZINC000815615598 1006711692 /nfs/dbraw/zinc/71/16/92/1006711692.db2.gz SKZJTCUWSIVQKD-GOSISDBHSA-N 1 0 364.449 2.809 20 10 FFCDRO Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1nnc2n1CCOC2 ZINC000815619664 1006715721 /nfs/dbraw/zinc/71/57/21/1006715721.db2.gz UOFZXZVQGDKAKU-GOSISDBHSA-N 1 0 364.449 2.978 20 10 FFCDRO CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000854187627 1006718460 /nfs/dbraw/zinc/71/84/60/1006718460.db2.gz OIINOMHHUDTZFB-IEBWSBKVSA-N 1 0 374.529 2.647 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cc(C(=O)OC)c(C)n2C)ccc1OC ZINC000883345228 1006761398 /nfs/dbraw/zinc/76/13/98/1006761398.db2.gz WJORRHDSBZIBQU-UHFFFAOYSA-N 1 0 360.454 2.955 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[NH2+]C3CCCCC3)C2)cc1 ZINC000854301716 1006767841 /nfs/dbraw/zinc/76/78/41/1006767841.db2.gz CXKHQTNNBIMUOU-SFHVURJKSA-N 1 0 374.529 2.886 20 10 FFCDRO Cc1cc(CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C)n1-c1ccccc1 ZINC000854742528 1006969728 /nfs/dbraw/zinc/96/97/28/1006969728.db2.gz DWEKWRNVJNLFJS-OAQYLSRUSA-N 1 0 369.509 2.600 20 10 FFCDRO Cc1ncc([C@H](C)NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883800910 1007012997 /nfs/dbraw/zinc/01/29/97/1007012997.db2.gz QCSAOHKTCVMIHA-AWEZNQCLSA-N 1 0 373.526 2.764 20 10 FFCDRO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816484991 1007065299 /nfs/dbraw/zinc/06/52/99/1007065299.db2.gz WBRFOCFWJANWBM-MRXNPFEDSA-N 1 0 355.482 2.578 20 10 FFCDRO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816484990 1007065578 /nfs/dbraw/zinc/06/55/78/1007065578.db2.gz WBRFOCFWJANWBM-INIZCTEOSA-N 1 0 355.482 2.578 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000775254527 1007099731 /nfs/dbraw/zinc/09/97/31/1007099731.db2.gz KOQMTATXZZUUQM-KRWDZBQOSA-N 1 0 353.466 2.837 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(N2CCOCC2)cc1 ZINC000816543302 1007104519 /nfs/dbraw/zinc/10/45/19/1007104519.db2.gz VXYMGKQGQXUZMU-HNNXBMFYSA-N 1 0 367.449 2.705 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)cc1 ZINC000855232201 1007198993 /nfs/dbraw/zinc/19/89/93/1007198993.db2.gz QWTKMVWVAPNHSZ-GOSISDBHSA-N 1 0 353.466 2.766 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c[nH]nc3C)C2)cc1C ZINC001086772551 1007333600 /nfs/dbraw/zinc/33/36/00/1007333600.db2.gz RNEUOVOAYKNEKC-DLBZAZTESA-N 1 0 356.470 2.723 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000884306137 1007364379 /nfs/dbraw/zinc/36/43/79/1007364379.db2.gz VHOWDQOHOMHLPN-LJQANCHMSA-N 1 0 350.466 2.762 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3conc3C)C2)cc1C ZINC001086792993 1007407078 /nfs/dbraw/zinc/40/70/78/1007407078.db2.gz WDFTZIDILMWPAH-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO NC(=O)C1CCN(c2ccc(CNc3cc[nH+]c4ccccc34)cc2)CC1 ZINC000884694876 1007509591 /nfs/dbraw/zinc/50/95/91/1007509591.db2.gz ZNQYFJLMYFSERV-UHFFFAOYSA-N 1 0 360.461 2.971 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3coc(C4CC4)n3)cc2F)CC1 ZINC000776833135 1007545729 /nfs/dbraw/zinc/54/57/29/1007545729.db2.gz ZLJMEUAWHTUXEL-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938313 1007815518 /nfs/dbraw/zinc/81/55/18/1007815518.db2.gz IULIYZZPNSZAQY-CRAIPNDOSA-N 1 0 370.497 2.768 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000818272384 1007908435 /nfs/dbraw/zinc/90/84/35/1007908435.db2.gz PTOMPVABRZMYLP-HOTGVXAUSA-N 1 0 353.466 2.971 20 10 FFCDRO C[NH2+]CCC1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818657918 1007962411 /nfs/dbraw/zinc/96/24/11/1007962411.db2.gz KYSCCJYKZUIPHF-GOSISDBHSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000114593901 1007970905 /nfs/dbraw/zinc/97/09/05/1007970905.db2.gz OEHBBESOZHJBIJ-QGZVFWFLSA-N 1 0 373.453 2.939 20 10 FFCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000819358446 1008107636 /nfs/dbraw/zinc/10/76/36/1008107636.db2.gz HSGNRBQPYPGBIL-SFHVURJKSA-N 1 0 366.383 2.764 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000115490775 1008197245 /nfs/dbraw/zinc/19/72/45/1008197245.db2.gz DJJQUGZXXPLJDP-UHFFFAOYSA-N 1 0 355.482 2.931 20 10 FFCDRO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000115811032 1008289704 /nfs/dbraw/zinc/28/97/04/1008289704.db2.gz CROYDDXVZVOGCH-QZTJIDSGSA-N 1 0 374.529 2.567 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000858147349 1008311000 /nfs/dbraw/zinc/31/10/00/1008311000.db2.gz LPYJHSYGPAGEHR-UHFFFAOYSA-N 1 0 354.454 2.559 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)c1 ZINC000858237344 1008330200 /nfs/dbraw/zinc/33/02/00/1008330200.db2.gz KMJBGGOTSWFLMH-UHFFFAOYSA-N 1 0 354.450 2.895 20 10 FFCDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858284053 1008340074 /nfs/dbraw/zinc/34/00/74/1008340074.db2.gz WKBHJDMXDNCQQV-FQEVSTJZSA-N 1 0 369.440 2.579 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1C ZINC000858676820 1008402048 /nfs/dbraw/zinc/40/20/48/1008402048.db2.gz OXJYDVABTAVVOG-KRWDZBQOSA-N 1 0 353.466 2.897 20 10 FFCDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000858677869 1008402506 /nfs/dbraw/zinc/40/25/06/1008402506.db2.gz NZGQGDULDZAUHN-IBGZPJMESA-N 1 0 367.493 2.907 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCc2cccc(O)c2C1 ZINC001177210345 1008518102 /nfs/dbraw/zinc/51/81/02/1008518102.db2.gz FDUKSOVWTNLDHE-UHFFFAOYSA-N 1 0 351.450 2.584 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000886149393 1008588650 /nfs/dbraw/zinc/58/86/50/1008588650.db2.gz MWBNWUMITDDRJE-ROUUACIJSA-N 1 0 360.498 2.839 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1C ZINC000822350211 1008598874 /nfs/dbraw/zinc/59/88/74/1008598874.db2.gz TUEWXKYDCYKOHT-UHFFFAOYSA-N 1 0 354.450 2.766 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000886228799 1008606815 /nfs/dbraw/zinc/60/68/15/1008606815.db2.gz GDYMPZBWOQSRTM-SJORKVTESA-N 1 0 363.458 2.605 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)CC1 ZINC000886325216 1008638789 /nfs/dbraw/zinc/63/87/89/1008638789.db2.gz YSAQQXMFKIDQBN-UHFFFAOYSA-N 1 0 363.465 2.554 20 10 FFCDRO COc1ccc(C[NH2+]CCCOCC(F)(F)F)cc1Cn1cccn1 ZINC001177703066 1008721310 /nfs/dbraw/zinc/72/13/10/1008721310.db2.gz WHLOIVMDBRQYRF-UHFFFAOYSA-N 1 0 357.376 2.999 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000886634596 1008786225 /nfs/dbraw/zinc/78/62/25/1008786225.db2.gz HQJURLFITXIEAC-RHSMWYFYSA-N 1 0 355.438 2.806 20 10 FFCDRO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000860182720 1008879663 /nfs/dbraw/zinc/87/96/63/1008879663.db2.gz BLQLUVSMUMVQJN-PKXJPQMGSA-N 1 0 358.442 2.790 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000823692291 1009174768 /nfs/dbraw/zinc/17/47/68/1009174768.db2.gz APGDEGDLGAJZRU-QZTJIDSGSA-N 1 0 374.529 2.553 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C ZINC000823726412 1009205173 /nfs/dbraw/zinc/20/51/73/1009205173.db2.gz TVQYWSHVKSSINY-BZSNNMDCSA-N 1 0 374.529 2.646 20 10 FFCDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000773812446 1009296926 /nfs/dbraw/zinc/29/69/26/1009296926.db2.gz QVXJFMJVYISMJA-OAHLLOKOSA-N 1 0 355.438 2.556 20 10 FFCDRO CCC[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC[N@@H+]1CCOC ZINC001179980199 1009514781 /nfs/dbraw/zinc/51/47/81/1009514781.db2.gz OQENPJWRQBYXGI-INIZCTEOSA-N 1 0 355.473 2.964 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000862252920 1009766467 /nfs/dbraw/zinc/76/64/67/1009766467.db2.gz IHUYOUYOVRZXTL-HNAYVOBHSA-N 1 0 364.440 2.852 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)C1 ZINC000862294434 1009785652 /nfs/dbraw/zinc/78/56/52/1009785652.db2.gz JDOOLDPQCQUZQQ-MRXNPFEDSA-N 1 0 354.454 2.544 20 10 FFCDRO Cc1ncsc1CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669842 1010047304 /nfs/dbraw/zinc/04/73/04/1010047304.db2.gz TYGAQCZGMGRPTR-UHFFFAOYSA-N 1 0 373.526 2.545 20 10 FFCDRO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093240802 1010146042 /nfs/dbraw/zinc/14/60/42/1010146042.db2.gz IGWOKZQIULBSBG-FVAUWICPSA-N 1 0 363.849 2.899 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865604412 1010826091 /nfs/dbraw/zinc/82/60/91/1010826091.db2.gz WEJMFTRSEVCLHH-OXQOHEQNSA-N 1 0 357.502 2.552 20 10 FFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001171870892 1011491902 /nfs/dbraw/zinc/49/19/02/1011491902.db2.gz XOPFYOFIPIJUMF-GOSISDBHSA-N 1 0 354.450 2.925 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275027279 1011826090 /nfs/dbraw/zinc/82/60/90/1011826090.db2.gz SFFXZJLXXCQBEI-KKSFZXQISA-N 1 0 357.498 2.738 20 10 FFCDRO O=C1CO[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)CN1C1CCCC1 ZINC001275249070 1012142805 /nfs/dbraw/zinc/14/28/05/1012142805.db2.gz WJXLAKMUHGKNKT-LJQANCHMSA-N 1 0 364.873 2.792 20 10 FFCDRO COCCCN1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001275254353 1012144022 /nfs/dbraw/zinc/14/40/22/1012144022.db2.gz PIULYWLNIXIJSE-UHFFFAOYSA-N 1 0 366.889 2.897 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(O)c2O)c1F ZINC001173182702 1012327431 /nfs/dbraw/zinc/32/74/31/1012327431.db2.gz KNPMCRAIARTFMK-JTQLQIEISA-N 1 0 350.346 2.875 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001275597882 1012672658 /nfs/dbraw/zinc/67/26/58/1012672658.db2.gz KXDSIKJMNIEJJL-OAQYLSRUSA-N 1 0 357.498 2.522 20 10 FFCDRO CN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001275673508 1012820990 /nfs/dbraw/zinc/82/09/90/1012820990.db2.gz ZQUXPTQVVMGWLB-GHTZIAJQSA-N 1 0 352.434 2.546 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)cc1 ZINC000924830546 1017508179 /nfs/dbraw/zinc/50/81/79/1017508179.db2.gz BUOXHOUQTCZOAP-UGKGYDQZSA-N 1 0 373.541 2.612 20 10 FFCDRO CC[C@H](C)[NH2+][C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccco1 ZINC000925364408 1017719731 /nfs/dbraw/zinc/71/97/31/1017719731.db2.gz RUYVMXIJYNAEOQ-HOCLYGCPSA-N 1 0 371.437 2.879 20 10 FFCDRO C[C@H]([NH3+])[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000925485036 1017766084 /nfs/dbraw/zinc/76/60/84/1017766084.db2.gz KRHZMALWLCUSAO-SCWSEQNSSA-N 1 0 366.509 2.566 20 10 FFCDRO C[C@H]([NH3+])[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000925503500 1017770951 /nfs/dbraw/zinc/77/09/51/1017770951.db2.gz NIJCTQJHNQVUDR-YCRPNKLZSA-N 1 0 357.473 2.965 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000827655090 1018593746 /nfs/dbraw/zinc/59/37/46/1018593746.db2.gz MOBKIZBTFUYJGU-GOSISDBHSA-N 1 0 370.472 2.981 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2F)CC1 ZINC000902763816 1020459508 /nfs/dbraw/zinc/45/95/08/1020459508.db2.gz ZQGLMIAYUXQETL-UAOIFFKFSA-N 1 0 360.473 2.690 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000726985436 1020565056 /nfs/dbraw/zinc/56/50/56/1020565056.db2.gz LWWIMJFNUPZXDP-SFHVURJKSA-N 1 0 368.525 2.768 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217947184 1032914391 /nfs/dbraw/zinc/91/43/91/1032914391.db2.gz QSJAOGODSPJRPT-GDBMZVCRSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900754017 1020631103 /nfs/dbraw/zinc/63/11/03/1020631103.db2.gz HLROZYBSCNMQPO-RTWAWAEBSA-N 1 0 371.525 2.528 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 ZINC000932052440 1020689817 /nfs/dbraw/zinc/68/98/17/1020689817.db2.gz WYJLEVFBGZCBJL-UHFFFAOYSA-N 1 0 365.477 2.910 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@@H]3CCC[NH2+]C3)c21 ZINC001217964753 1032922178 /nfs/dbraw/zinc/92/21/78/1032922178.db2.gz DCPRTCQKQYPBAO-LLVKDONJSA-N 1 0 352.346 2.501 20 10 FFCDRO COc1c(OC2CC[NH2+]CC2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001217963551 1032923249 /nfs/dbraw/zinc/92/32/49/1032923249.db2.gz GDWRGQXFPLMYBO-UHFFFAOYSA-N 1 0 367.401 2.615 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC3(C4(O)CCOCC4)CC3)CC2)cc1 ZINC000903349826 1020798749 /nfs/dbraw/zinc/79/87/49/1020798749.db2.gz LXPFZIXOTXJQHY-UHFFFAOYSA-N 1 0 360.498 2.575 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222436422 1032971590 /nfs/dbraw/zinc/97/15/90/1032971590.db2.gz XRVGRJNVRFACFL-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO C[C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218063067 1032976121 /nfs/dbraw/zinc/97/61/21/1032976121.db2.gz XEUSLNGHFDVKAF-RYUDHWBXSA-N 1 0 366.373 2.890 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CSC4(C[NH2+]C4)C3)cccc21 ZINC001218104578 1032996217 /nfs/dbraw/zinc/99/62/17/1032996217.db2.gz VJBKJZTXCCHOGB-GFCCVEGCSA-N 1 0 351.427 2.688 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218116275 1033002985 /nfs/dbraw/zinc/00/29/85/1033002985.db2.gz JDPYZVNJLYCJEP-VGSWGCGISA-N 1 0 363.413 2.997 20 10 FFCDRO COCCCC[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276367653 1021784246 /nfs/dbraw/zinc/78/42/46/1021784246.db2.gz MHCRTCICQDVTGI-NRFANRHFSA-N 1 0 359.514 2.604 20 10 FFCDRO O=c1cc(-c2cnn(CC[NH+]3CCCC3)c2)ccn1Cc1cccc(F)c1 ZINC001222493290 1033008170 /nfs/dbraw/zinc/00/81/70/1033008170.db2.gz LDCQRYDTUNLFQS-UHFFFAOYSA-N 1 0 366.440 2.995 20 10 FFCDRO COc1cccc([C@]2(C)CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c1 ZINC001118531152 1022275736 /nfs/dbraw/zinc/27/57/36/1022275736.db2.gz BNBUJHVDXQCNJH-TZIWHRDSSA-N 1 0 355.434 2.990 20 10 FFCDRO C[NH2+][C@H]1CC[C@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001218188814 1033039549 /nfs/dbraw/zinc/03/95/49/1033039549.db2.gz KEQMEJUQVYMVAM-HAQNSBGRSA-N 1 0 367.401 2.783 20 10 FFCDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC001118640884 1022331700 /nfs/dbraw/zinc/33/17/00/1022331700.db2.gz VFQQNTBKZNZIPP-DZGCQCFKSA-N 1 0 366.259 2.898 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)c2ncc[nH]2)C3)cc1C ZINC001099431134 1022515085 /nfs/dbraw/zinc/51/50/85/1022515085.db2.gz BSLPBPCOPISNIG-UWJYYQICSA-N 1 0 368.481 2.759 20 10 FFCDRO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C(F)(F)F ZINC001119472300 1022794163 /nfs/dbraw/zinc/79/41/63/1022794163.db2.gz YUGMHXFOVFDXKQ-GDBMZVCRSA-N 1 0 370.419 2.565 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1OC ZINC001119966346 1023184884 /nfs/dbraw/zinc/18/48/84/1023184884.db2.gz ANRWKUZZWGXHHG-MRXNPFEDSA-N 1 0 371.437 2.805 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)c(O)c1OC ZINC001120035073 1023215848 /nfs/dbraw/zinc/21/58/48/1023215848.db2.gz OJISZZHXTLDEOD-INIZCTEOSA-N 1 0 356.422 2.997 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])cn2)CC1 ZINC000756431010 1023709301 /nfs/dbraw/zinc/70/93/01/1023709301.db2.gz ATEJGTMYZSLPBR-HNNXBMFYSA-N 1 0 358.461 2.919 20 10 FFCDRO Cc1cc(C(=O)CN2CCC(OCCO)CC2)c(C)n1-c1ccc(F)cc1 ZINC000757130446 1023801454 /nfs/dbraw/zinc/80/14/54/1023801454.db2.gz LHQMQBDVULYWJN-UHFFFAOYSA-N 1 0 374.456 2.889 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1C ZINC000757656891 1023843453 /nfs/dbraw/zinc/84/34/53/1023843453.db2.gz OZQONJLUIMDJOM-NVXWUHKLSA-N 1 0 356.470 2.584 20 10 FFCDRO CN1CCCc2cc(CNC(=O)C3(C(F)(F)F)CC[NH2+]CC3)ccc21 ZINC001121915485 1024164957 /nfs/dbraw/zinc/16/49/57/1024164957.db2.gz FTKUSKISOWWVCI-UHFFFAOYSA-N 1 0 355.404 2.617 20 10 FFCDRO CC[C@H](C)[N@@H+]1CCC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276851404 1033211376 /nfs/dbraw/zinc/21/13/76/1033211376.db2.gz JRJRYADQALGHBI-KKSFZXQISA-N 1 0 357.498 2.892 20 10 FFCDRO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C)C2)c(C)n1-c1ccccc1 ZINC001137858995 1033229846 /nfs/dbraw/zinc/22/98/46/1033229846.db2.gz DRGFABNGXBOVOO-HXUWFJFHSA-N 1 0 368.525 2.736 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)ccc21 ZINC001141141347 1025509872 /nfs/dbraw/zinc/50/98/72/1025509872.db2.gz QEHNSCYZSVDSLD-JOCHJYFZSA-N 1 0 369.509 2.740 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)ccc21 ZINC001141142805 1025515248 /nfs/dbraw/zinc/51/52/48/1025515248.db2.gz BNKHFPWCVLOGTG-WIYYLYMNSA-N 1 0 358.482 2.675 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1c1ccccc1 ZINC001141146437 1025524566 /nfs/dbraw/zinc/52/45/66/1025524566.db2.gz VKTRELNKFAVJCY-MOPGFXCFSA-N 1 0 366.461 2.904 20 10 FFCDRO CN1C(=O)CC2(CC[NH+](Cc3cc(O)ccc3O)CC2)c2ccccc21 ZINC001141158790 1025540979 /nfs/dbraw/zinc/54/09/79/1025540979.db2.gz NKURFYJWQMHAKO-UHFFFAOYSA-N 1 0 352.434 2.998 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1 ZINC001141160479 1025544137 /nfs/dbraw/zinc/54/41/37/1025544137.db2.gz XBECALJRXAHHPI-QKNQBKEWSA-N 1 0 370.449 2.832 20 10 FFCDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141160314 1025544692 /nfs/dbraw/zinc/54/46/92/1025544692.db2.gz VKGTUTWDSVLMRF-FGZHOGPDSA-N 1 0 366.461 2.862 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000246293892 1025951165 /nfs/dbraw/zinc/95/11/65/1025951165.db2.gz NKTBLGFPIMDLDW-DBVUQKKJSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000838191503 1026251605 /nfs/dbraw/zinc/25/16/05/1026251605.db2.gz BISUDKANDRXBRU-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO COC(=O)C1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839143863 1026604628 /nfs/dbraw/zinc/60/46/28/1026604628.db2.gz DDRQLSHKMWQTGD-UHFFFAOYSA-N 1 0 368.424 2.623 20 10 FFCDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000839146749 1026605709 /nfs/dbraw/zinc/60/57/09/1026605709.db2.gz TUNZRDAEWAOTOQ-UHFFFAOYSA-N 1 0 363.364 2.999 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)nc1 ZINC000840150654 1026986441 /nfs/dbraw/zinc/98/64/41/1026986441.db2.gz UCBQBFCMOMLPGG-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000840322847 1027048203 /nfs/dbraw/zinc/04/82/03/1027048203.db2.gz UIVIDLFPPWDIEQ-JZXOWHBKSA-N 1 0 358.530 2.916 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000840478416 1027087813 /nfs/dbraw/zinc/08/78/13/1027087813.db2.gz GOKIUPCCPWXBFY-ROUUACIJSA-N 1 0 360.546 2.975 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000840480354 1027088360 /nfs/dbraw/zinc/08/83/60/1027088360.db2.gz VVXUKKHTLXTNER-POAQFYNOSA-N 1 0 358.530 2.870 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC001158716338 1027105098 /nfs/dbraw/zinc/10/50/98/1027105098.db2.gz AVLXNSIUHCFAJT-LJQANCHMSA-N 1 0 353.466 2.720 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cccc(OCC)c3O)CC2)n1 ZINC000091959455 1027162998 /nfs/dbraw/zinc/16/29/98/1027162998.db2.gz MOSDYWCXDOKCQE-UHFFFAOYSA-N 1 0 372.469 2.692 20 10 FFCDRO COc1cccc(CC(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000092536355 1027358244 /nfs/dbraw/zinc/35/82/44/1027358244.db2.gz DDPPZPMTTWYFAE-UHFFFAOYSA-N 1 0 354.450 2.596 20 10 FFCDRO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000092534311 1027358639 /nfs/dbraw/zinc/35/86/39/1027358639.db2.gz DBXFMDHCPUQNIW-UHFFFAOYSA-N 1 0 368.477 2.986 20 10 FFCDRO CCOc1cccc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000092665199 1027394336 /nfs/dbraw/zinc/39/43/36/1027394336.db2.gz AVTDYCBWXMIEOZ-HDICACEKSA-N 1 0 361.530 2.781 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)[C@@H]3CCCC[C@@H]31)cc2=O ZINC000248413779 1027607854 /nfs/dbraw/zinc/60/78/54/1027607854.db2.gz GJUJRKPTIZJELJ-NOLJZWGESA-N 1 0 358.442 2.622 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3F)CC1)[C@@H](O)CO2 ZINC000795728672 1028061856 /nfs/dbraw/zinc/06/18/56/1028061856.db2.gz QFZBJFHUDBCIGL-IBGZPJMESA-N 1 0 358.413 2.669 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCc1ccco1)C[C@@H]1CCCO1 ZINC000249521252 1028172035 /nfs/dbraw/zinc/17/20/35/1028172035.db2.gz NEAGYEHQBBZIKU-MSOLQXFVSA-N 1 0 361.438 2.544 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2C)cc1C ZINC001103854251 1028302776 /nfs/dbraw/zinc/30/27/76/1028302776.db2.gz CYAXTAQNJUYAJT-YVWKXTFCSA-N 1 0 360.498 2.757 20 10 FFCDRO COC1CC[NH+](C2(CNC(=O)c3ccc(C)c(O)c3O)CCCC2)CC1 ZINC000780932012 1028878560 /nfs/dbraw/zinc/87/85/60/1028878560.db2.gz IFKJSJSVLQBTGV-UHFFFAOYSA-N 1 0 362.470 2.560 20 10 FFCDRO Cc1nscc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000781357361 1029160840 /nfs/dbraw/zinc/16/08/40/1029160840.db2.gz NWXLJLXIPBYJMT-UHFFFAOYSA-N 1 0 370.522 2.914 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@]12CCCO2 ZINC000781420851 1029203061 /nfs/dbraw/zinc/20/30/61/1029203061.db2.gz MNEABDSDLNOFEA-NJYVYQBISA-N 1 0 360.498 2.980 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc4c(n3)CCC4)CC2)cc1 ZINC001164328220 1029247712 /nfs/dbraw/zinc/24/77/12/1029247712.db2.gz URQUGGQJFYAGIB-UHFFFAOYSA-N 1 0 367.497 2.598 20 10 FFCDRO COC(=O)c1cnc(Cl)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156653009 1029288524 /nfs/dbraw/zinc/28/85/24/1029288524.db2.gz ZVPVQSMHRASASX-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO Cc1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c(C)n1-c1ccccc1C ZINC001157004697 1029438544 /nfs/dbraw/zinc/43/85/44/1029438544.db2.gz ALXZEPLOOPSUQR-QGZVFWFLSA-N 1 0 353.466 2.605 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@]3(CC[C@H](C)C3)C1)cc2=O ZINC000782106788 1029571541 /nfs/dbraw/zinc/57/15/41/1029571541.db2.gz JQXQDARTDRSLNT-ORAYPTAESA-N 1 0 358.442 2.624 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157433723 1029584968 /nfs/dbraw/zinc/58/49/68/1029584968.db2.gz LMDPFLUFDRMOLF-YGDNTTNZSA-N 1 0 360.498 2.627 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840932676 1029932120 /nfs/dbraw/zinc/93/21/20/1029932120.db2.gz HYQYAKXOEHVKFB-FQEVSTJZSA-N 1 0 358.482 2.737 20 10 FFCDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841039551 1029995902 /nfs/dbraw/zinc/99/59/02/1029995902.db2.gz TYEFYXCZEWUQJL-HNNXBMFYSA-N 1 0 366.465 2.549 20 10 FFCDRO COc1cc2c(cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1)O[C@@H](C)C2 ZINC000841043896 1029997445 /nfs/dbraw/zinc/99/74/45/1029997445.db2.gz RHDSQZCKDQUQRX-IFXJQAMLSA-N 1 0 355.482 2.874 20 10 FFCDRO COc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000841042072 1029998022 /nfs/dbraw/zinc/99/80/22/1029998022.db2.gz HJAHTDNIDIBUMV-QGZVFWFLSA-N 1 0 359.470 2.568 20 10 FFCDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045390 1030001204 /nfs/dbraw/zinc/00/12/04/1030001204.db2.gz KQNWGJSRQGGADX-KUHUBIRLSA-N 1 0 358.461 2.898 20 10 FFCDRO Fc1cc(C[NH2+]C[C@H]2NCCc3ccccc32)ccc1N1CCOCC1 ZINC000841067359 1030013927 /nfs/dbraw/zinc/01/39/27/1030013927.db2.gz BIPPEQOZVTZSBV-HXUWFJFHSA-N 1 0 355.457 2.639 20 10 FFCDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841087885 1030028496 /nfs/dbraw/zinc/02/84/96/1030028496.db2.gz XMGOUBLVYOZWNA-UHFFFAOYSA-N 1 0 360.502 2.568 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC001166047366 1030217311 /nfs/dbraw/zinc/21/73/11/1030217311.db2.gz IGGVSRFMYWYIGL-UHFFFAOYSA-N 1 0 351.450 2.827 20 10 FFCDRO [NH3+]CCCN(CC1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841729765 1030431099 /nfs/dbraw/zinc/43/10/99/1030431099.db2.gz JADNEDMQWVYXMM-UHFFFAOYSA-N 1 0 374.529 2.574 20 10 FFCDRO O=C(NCC[NH2+]C1CCCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000841730495 1030431135 /nfs/dbraw/zinc/43/11/35/1030431135.db2.gz SKZZCCUPDQEGJD-UHFFFAOYSA-N 1 0 374.529 2.635 20 10 FFCDRO C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000841741627 1030440507 /nfs/dbraw/zinc/44/05/07/1030440507.db2.gz OOYGABSZDHYGSO-MRXNPFEDSA-N 1 0 360.502 2.545 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841823658 1030487578 /nfs/dbraw/zinc/48/75/78/1030487578.db2.gz GAXDCQOFDRXKRK-MOPGFXCFSA-N 1 0 358.530 2.982 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841832751 1030493816 /nfs/dbraw/zinc/49/38/16/1030493816.db2.gz RQMHDQJXFYFRID-RBUKOAKNSA-N 1 0 354.498 2.594 20 10 FFCDRO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832889 1030493867 /nfs/dbraw/zinc/49/38/67/1030493867.db2.gz WKFWVIIQNZBBEJ-UHFFFAOYSA-N 1 0 364.493 2.776 20 10 FFCDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841842991 1030498937 /nfs/dbraw/zinc/49/89/37/1030498937.db2.gz ASFMPWPAPSIVIP-CZUORRHYSA-N 1 0 370.444 2.539 20 10 FFCDRO O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517431 1030565533 /nfs/dbraw/zinc/56/55/33/1030565533.db2.gz MZAMWJNGJKVKFQ-AWEZNQCLSA-N 1 0 350.409 2.941 20 10 FFCDRO Oc1cc(F)c(F)cc1CN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001142517144 1030565944 /nfs/dbraw/zinc/56/59/44/1030565944.db2.gz BOGYNXMZIXCWIL-UHFFFAOYSA-N 1 0 362.424 2.869 20 10 FFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142517614 1030566004 /nfs/dbraw/zinc/56/60/04/1030566004.db2.gz UCFBYTKQAIUKIX-UHFFFAOYSA-N 1 0 350.413 2.723 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000842013454 1030577237 /nfs/dbraw/zinc/57/72/37/1030577237.db2.gz ZPNILQSWJVCEHR-KLCIDDBMSA-N 1 0 373.497 2.915 20 10 FFCDRO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccccc1O ZINC001203551982 1030760711 /nfs/dbraw/zinc/76/07/11/1030760711.db2.gz WDHBAFJWEFMCPB-IBGZPJMESA-N 1 0 371.481 2.761 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001203592984 1030776402 /nfs/dbraw/zinc/77/64/02/1030776402.db2.gz JEBZAXJVVLIRJI-GOSISDBHSA-N 1 0 366.461 2.897 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1O ZINC001203594091 1030779537 /nfs/dbraw/zinc/77/95/37/1030779537.db2.gz RQNXUXKSYZRKJU-HHXXYDBFSA-N 1 0 370.449 2.854 20 10 FFCDRO CCOc1cccc(CN2CCCn3nnc(COCC4CC4)c3C2)c1O ZINC001203607894 1030784944 /nfs/dbraw/zinc/78/49/44/1030784944.db2.gz CYMIQRZSTYTOPE-UHFFFAOYSA-N 1 0 372.469 2.715 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)c1O ZINC001203609805 1030785517 /nfs/dbraw/zinc/78/55/17/1030785517.db2.gz KXSAQTCBMYQLAB-UHFFFAOYSA-N 1 0 367.449 2.815 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c(O)c1 ZINC001203621717 1030789979 /nfs/dbraw/zinc/78/99/79/1030789979.db2.gz HDMIBNSCCRMHQK-MRXNPFEDSA-N 1 0 355.438 2.730 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)c(O)c1 ZINC001203629959 1030796490 /nfs/dbraw/zinc/79/64/90/1030796490.db2.gz OYEAZYMVAYNOIM-SBHAEUEKSA-N 1 0 372.465 2.858 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)c1 ZINC001203635010 1030797108 /nfs/dbraw/zinc/79/71/08/1030797108.db2.gz GAZVTJYYFDGJEI-QGZVFWFLSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(OC)cc3O)CC2)c1 ZINC001203634476 1030798799 /nfs/dbraw/zinc/79/87/99/1030798799.db2.gz IBBHGLCRJDPOLQ-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001203656723 1030809689 /nfs/dbraw/zinc/80/96/89/1030809689.db2.gz WEAMRLRJYXXKRB-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC001203663987 1030811580 /nfs/dbraw/zinc/81/15/80/1030811580.db2.gz JWSZPMYWZIPIHM-UKRRQHHQSA-N 1 0 356.850 2.506 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC001203672681 1030816934 /nfs/dbraw/zinc/81/69/34/1030816934.db2.gz AOFPKTCJKIYINL-UHFFFAOYSA-N 1 0 357.454 2.930 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC001203673158 1030821942 /nfs/dbraw/zinc/82/19/42/1030821942.db2.gz PFBYYSCXRZYOIP-QKYXUNIQSA-N 1 0 370.449 2.854 20 10 FFCDRO COc1ncncc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000842672950 1030891703 /nfs/dbraw/zinc/89/17/03/1030891703.db2.gz AKGOGIWYAGHRGL-UHFFFAOYSA-N 1 0 364.396 2.845 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1O ZINC001203876699 1030950493 /nfs/dbraw/zinc/95/04/93/1030950493.db2.gz HZSUFYSBRLGZBU-GOSISDBHSA-N 1 0 370.449 2.833 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cc1 ZINC001203931992 1030989524 /nfs/dbraw/zinc/98/95/24/1030989524.db2.gz NEQDBRGNGNEMIS-DYXWJJEUSA-N 1 0 353.466 2.958 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cc1 ZINC001203932782 1030992295 /nfs/dbraw/zinc/99/22/95/1030992295.db2.gz CPXUEDCGUUYAGH-IFMALSPDSA-N 1 0 367.493 2.813 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCCN(C(C)=O)[C@H]3CC2)cc1 ZINC001203940759 1030997233 /nfs/dbraw/zinc/99/72/33/1030997233.db2.gz YPZCZLPWHWUTCN-LEWJYISDSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1ccc(N2CC[C@H](COC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000842875668 1031007987 /nfs/dbraw/zinc/00/79/87/1031007987.db2.gz NYSMQCLQRPZSCG-INIZCTEOSA-N 1 0 358.482 2.939 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000842882932 1031019429 /nfs/dbraw/zinc/01/94/29/1031019429.db2.gz BXFWTAHKIIOWBT-WMLDXEAASA-N 1 0 363.477 2.712 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000843066329 1031170605 /nfs/dbraw/zinc/17/06/05/1031170605.db2.gz VADKXIVHKCZNMF-JOCHJYFZSA-N 1 0 372.484 2.728 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2cn(CC3CC3)nc21 ZINC001204273032 1031199740 /nfs/dbraw/zinc/19/97/40/1031199740.db2.gz JTSLMFBPCOMZCU-KRWDZBQOSA-N 1 0 357.454 2.840 20 10 FFCDRO COc1cc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc(O)c1O ZINC001204343196 1031237117 /nfs/dbraw/zinc/23/71/17/1031237117.db2.gz QBBNXYAJBPCGDI-IYBDPMFKSA-N 1 0 358.438 2.653 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c1O ZINC001204341989 1031238711 /nfs/dbraw/zinc/23/87/11/1031238711.db2.gz NBIUGIRTLKZEEW-AWEZNQCLSA-N 1 0 371.275 2.606 20 10 FFCDRO COc1cccc(/C(C)=C\C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299531 1031299263 /nfs/dbraw/zinc/29/92/63/1031299263.db2.gz XIOJQVRKELTYJI-NLBZTSMMSA-N 1 0 353.466 2.981 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCc1c(F)cccc1F ZINC000843350298 1031340785 /nfs/dbraw/zinc/34/07/85/1031340785.db2.gz MATMHFPUFREMSF-UHFFFAOYSA-N 1 0 359.420 2.535 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4[nH]cnc4C)C3)C2)cc1 ZINC001204593797 1031386936 /nfs/dbraw/zinc/38/69/36/1031386936.db2.gz UPCILNXNKIOQJO-NRFANRHFSA-N 1 0 370.497 2.846 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3C[NH2+]CCC3(F)F)c2C)cc1 ZINC000843482609 1031423608 /nfs/dbraw/zinc/42/36/08/1031423608.db2.gz AVOCSMHDHLOVGA-KRWDZBQOSA-N 1 0 363.408 2.830 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000843489978 1031427032 /nfs/dbraw/zinc/42/70/32/1031427032.db2.gz UWKFVYQMMURQRB-HNNXBMFYSA-N 1 0 354.450 2.899 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C2)cc1 ZINC000843503922 1031433921 /nfs/dbraw/zinc/43/39/21/1031433921.db2.gz CCSBCYNIRPQLEV-LPWQTFTOSA-N 1 0 357.498 2.558 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000798502148 1031436314 /nfs/dbraw/zinc/43/63/14/1031436314.db2.gz WFRFQBPSBZIPKT-HNNXBMFYSA-N 1 0 360.458 2.686 20 10 FFCDRO Cc1c(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1C ZINC000798987627 1031604123 /nfs/dbraw/zinc/60/41/23/1031604123.db2.gz BGXPQOJFTDHHCP-UHFFFAOYSA-N 1 0 366.509 2.796 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799743192 1031870519 /nfs/dbraw/zinc/87/05/19/1031870519.db2.gz YRTBQOKFKKRORY-UHFFFAOYSA-N 1 0 374.554 2.911 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)[C@H](O)CO2 ZINC000799944308 1031928627 /nfs/dbraw/zinc/92/86/27/1031928627.db2.gz ZJQPHPWGHBRBTR-IFXJQAMLSA-N 1 0 369.465 2.730 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[NH2+]CC[C@@H]3O)cc2)cc1 ZINC001219203793 1033554600 /nfs/dbraw/zinc/55/46/00/1033554600.db2.gz OAOVYFKIFWTAAD-OFOPBTFPSA-N 1 0 365.477 2.832 20 10 FFCDRO CCSCC[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276927953 1033621400 /nfs/dbraw/zinc/62/14/00/1033621400.db2.gz XPIRILJXNHIWCC-FQEVSTJZSA-N 1 0 361.555 2.930 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001276966544 1033860271 /nfs/dbraw/zinc/86/02/71/1033860271.db2.gz UIZLTROYFOJENQ-INIZCTEOSA-N 1 0 353.260 2.517 20 10 FFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138221081 1033972395 /nfs/dbraw/zinc/97/23/95/1033972395.db2.gz YIRYDNCQHKWDCD-IBGZPJMESA-N 1 0 358.482 2.688 20 10 FFCDRO Cc1cc(CC(=O)N2CC[NH+](C(C)(C)CO)CC2)c(C)n1-c1ccccc1 ZINC000831286013 1034021839 /nfs/dbraw/zinc/02/18/39/1034021839.db2.gz PXYPBAVTWCGCLS-UHFFFAOYSA-N 1 0 369.509 2.552 20 10 FFCDRO Cc1c(C[NH+]2CCN(CC(=O)OC(C)(C)C)CC2)c2ccccc2n1C ZINC001138256793 1034025829 /nfs/dbraw/zinc/02/58/29/1034025829.db2.gz KZLGYTAFVUPUAT-UHFFFAOYSA-N 1 0 357.498 2.946 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(CO)cc3)c2)CC1 ZINC000831530654 1034115618 /nfs/dbraw/zinc/11/56/18/1034115618.db2.gz JQUIPMQIZDQGLJ-UHFFFAOYSA-N 1 0 353.466 2.962 20 10 FFCDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138355785 1034193189 /nfs/dbraw/zinc/19/31/89/1034193189.db2.gz WNYBHVAWBWGLEQ-UHFFFAOYSA-N 1 0 365.525 2.916 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](NC(=O)c4cccnc4)C3)ccc21 ZINC001138359426 1034196808 /nfs/dbraw/zinc/19/68/08/1034196808.db2.gz SZIXKLRBINGQSK-HXUWFJFHSA-N 1 0 364.493 2.858 20 10 FFCDRO Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC001138500292 1034342619 /nfs/dbraw/zinc/34/26/19/1034342619.db2.gz WFSMFRKXRKSIHA-FQEVSTJZSA-N 1 0 368.481 2.665 20 10 FFCDRO Cc1cc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)ncn1 ZINC001138499936 1034343196 /nfs/dbraw/zinc/34/31/96/1034343196.db2.gz PISMIXCXJUHOEB-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001277097474 1034517116 /nfs/dbraw/zinc/51/71/16/1034517116.db2.gz HSFCQFRIUCHAJC-BFUOFWGJSA-N 1 0 368.424 2.520 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3c([O-])ccc(F)c3F)C2)C1=O ZINC001277097716 1034517448 /nfs/dbraw/zinc/51/74/48/1034517448.db2.gz LGXKNXSZOGLYOU-LJQANCHMSA-N 1 0 368.424 2.520 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)[C@@H]1CCCOC1 ZINC001138677500 1034537679 /nfs/dbraw/zinc/53/76/79/1034537679.db2.gz JTSMPZXAOGQKKO-OAHLLOKOSA-N 1 0 369.303 2.897 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000832272464 1034693761 /nfs/dbraw/zinc/69/37/61/1034693761.db2.gz GATCADWIKHBCSR-HHXXYDBFSA-N 1 0 359.420 2.951 20 10 FFCDRO COc1ccc(C(=O)CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832278483 1034698034 /nfs/dbraw/zinc/69/80/34/1034698034.db2.gz CWRUWTYGXHYPAW-IBGZPJMESA-N 1 0 369.465 2.540 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226468901 1034698960 /nfs/dbraw/zinc/69/89/60/1034698960.db2.gz QEXRXVNZBVJBAO-DGCLKSJQSA-N 1 0 361.394 2.504 20 10 FFCDRO Cc1ccc(C(=O)CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832286289 1034701595 /nfs/dbraw/zinc/70/15/95/1034701595.db2.gz XUAKIKZMWGYSRU-LJQANCHMSA-N 1 0 353.466 2.840 20 10 FFCDRO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300568 1034714340 /nfs/dbraw/zinc/71/43/40/1034714340.db2.gz ZEKAIRLPKFXOCJ-BTYIYWSLSA-N 1 0 367.493 2.825 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CCCO)C2)c(C)n1-c1ccc(F)cn1 ZINC000832787347 1034971512 /nfs/dbraw/zinc/97/15/12/1034971512.db2.gz VLNNVJSRNUEXFE-MRXNPFEDSA-N 1 0 359.445 2.905 20 10 FFCDRO Cc1cc(C[NH+]2C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)ccc1N(C)C ZINC001139671703 1035194099 /nfs/dbraw/zinc/19/40/99/1035194099.db2.gz OMPYZQNIHLRZOT-ROUUACIJSA-N 1 0 353.466 2.858 20 10 FFCDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2cc(F)ccc2O)CC3)cn1 ZINC001140054302 1035323387 /nfs/dbraw/zinc/32/33/87/1035323387.db2.gz PAKKOPDYJUVOLI-UHFFFAOYSA-N 1 0 358.461 2.895 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001140060007 1035325843 /nfs/dbraw/zinc/32/58/43/1035325843.db2.gz GGMWHVVEDAOMFR-UHFFFAOYSA-N 1 0 360.429 2.879 20 10 FFCDRO Cc1ccc(C)c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC001140180411 1035369741 /nfs/dbraw/zinc/36/97/41/1035369741.db2.gz WNCZWZWBUMETRA-UHFFFAOYSA-N 1 0 360.479 2.516 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCc4cccc(O)c43)CC2)cc1 ZINC000834540759 1035405665 /nfs/dbraw/zinc/40/56/65/1035405665.db2.gz IZBFZKNESYHSSW-FQEVSTJZSA-N 1 0 367.493 2.800 20 10 FFCDRO Oc1cccc(Cl)c1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001140338978 1035443410 /nfs/dbraw/zinc/44/34/10/1035443410.db2.gz BWFGVASYPRJTNH-IRXDYDNUSA-N 1 0 373.884 2.916 20 10 FFCDRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140338510 1035443653 /nfs/dbraw/zinc/44/36/53/1035443653.db2.gz KKFOAZTTWNCSMM-HBUWYVDXSA-N 1 0 364.873 2.551 20 10 FFCDRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465597 1035485566 /nfs/dbraw/zinc/48/55/66/1035485566.db2.gz QUAFWMRINSTONL-PXNSSMCTSA-N 1 0 371.868 2.969 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000835038151 1035491661 /nfs/dbraw/zinc/49/16/61/1035491661.db2.gz UVRCOMDWUXZPID-AATRIKPKSA-N 1 0 373.522 2.951 20 10 FFCDRO Clc1cc(CN2CCN(c3cc[nH+]cc3)CC2)ccc1N1CCOCC1 ZINC001232198485 1035495142 /nfs/dbraw/zinc/49/51/42/1035495142.db2.gz ULOBUHOFVGILLN-UHFFFAOYSA-N 1 0 372.900 2.894 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232199939 1035496545 /nfs/dbraw/zinc/49/65/45/1035496545.db2.gz LGRQCUXEFHRWHP-UHFFFAOYSA-N 1 0 365.905 2.619 20 10 FFCDRO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N2CCOCC2)cc1 ZINC000835074133 1035512496 /nfs/dbraw/zinc/51/24/96/1035512496.db2.gz HTGUARNGYVAHCU-UHFFFAOYSA-N 1 0 372.513 2.522 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001277204744 1035529608 /nfs/dbraw/zinc/52/96/08/1035529608.db2.gz VYICYMJMTQDTAU-QGZVFWFLSA-N 1 0 356.388 2.996 20 10 FFCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)cc1Cl ZINC001232259443 1035530666 /nfs/dbraw/zinc/53/06/66/1035530666.db2.gz CRECKBCIDNHZDP-BETUJISGSA-N 1 0 365.886 2.772 20 10 FFCDRO Oc1cc(O)c(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1Cl ZINC001232259740 1035530677 /nfs/dbraw/zinc/53/06/77/1035530677.db2.gz IFXRTNLLYFUAPU-UHFFFAOYSA-N 1 0 362.861 2.559 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1Cl ZINC001232260417 1035531344 /nfs/dbraw/zinc/53/13/44/1035531344.db2.gz PXQIOWGJOJPHLY-QWHCGFSZSA-N 1 0 357.731 2.979 20 10 FFCDRO CCC[NH+](CCC)CCN1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263007 1035533152 /nfs/dbraw/zinc/53/31/52/1035533152.db2.gz ZUDVYTBWMIYOOQ-UHFFFAOYSA-N 1 0 369.937 2.991 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1Cl ZINC001232264197 1035535995 /nfs/dbraw/zinc/53/59/95/1035535995.db2.gz GAZNZEKQVGVWDV-ZDUSSCGKSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)cc1Cl ZINC001232271250 1035541793 /nfs/dbraw/zinc/54/17/93/1035541793.db2.gz SUVHNCVWGHAWQS-UHFFFAOYSA-N 1 0 367.877 2.824 20 10 FFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001277665706 1035692744 /nfs/dbraw/zinc/69/27/44/1035692744.db2.gz PAVLTNNFDHNTMZ-GOSISDBHSA-N 1 0 352.862 2.976 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(CC(C)C)S(=O)(=O)[C@@H]3CC2)c1 ZINC001140620002 1035742040 /nfs/dbraw/zinc/74/20/40/1035742040.db2.gz YVDARAYDZDMLSI-VQIMIIECSA-N 1 0 366.527 2.583 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1 ZINC001140619802 1035742614 /nfs/dbraw/zinc/74/26/14/1035742614.db2.gz PBSCHPBRBAGKJI-PKOBYXMFSA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC001140620543 1035745723 /nfs/dbraw/zinc/74/57/23/1035745723.db2.gz RVWYVIUCUGRIDG-NRFANRHFSA-N 1 0 351.450 2.720 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1 ZINC001140620089 1035746730 /nfs/dbraw/zinc/74/67/30/1035746730.db2.gz CATXGKHNEQKYNT-NRFANRHFSA-N 1 0 370.449 2.801 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)o1 ZINC001140664607 1035819610 /nfs/dbraw/zinc/81/96/10/1035819610.db2.gz NDYGRVLFZJCTMZ-MRXNPFEDSA-N 1 0 360.433 2.733 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001140665595 1035821356 /nfs/dbraw/zinc/82/13/56/1035821356.db2.gz RBZRQASNUCWNCX-UHFFFAOYSA-N 1 0 359.489 2.580 20 10 FFCDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140667053 1035825669 /nfs/dbraw/zinc/82/56/69/1035825669.db2.gz HEPXEGMTCDTKHI-KRWDZBQOSA-N 1 0 364.461 2.828 20 10 FFCDRO CC[N@@H+]1CCC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228108328 1035937286 /nfs/dbraw/zinc/93/72/86/1035937286.db2.gz FGJNWNVFGBCRCK-HNNXBMFYSA-N 1 0 357.406 2.898 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1O ZINC001140744371 1036032868 /nfs/dbraw/zinc/03/28/68/1036032868.db2.gz VKADNVUSEAAYIH-HDICACEKSA-N 1 0 352.434 2.610 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1O ZINC001140748557 1036046805 /nfs/dbraw/zinc/04/68/05/1036046805.db2.gz NNIUYFBNJSRARL-GDBMZVCRSA-N 1 0 359.495 2.959 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841742 1036097005 /nfs/dbraw/zinc/09/70/05/1036097005.db2.gz QKAGDIRTFCRVOY-MRXNPFEDSA-N 1 0 353.466 2.805 20 10 FFCDRO COc1cccc(CN2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232840347 1036098164 /nfs/dbraw/zinc/09/81/64/1036098164.db2.gz UJHDGXHDIWMRDP-UHFFFAOYSA-N 1 0 355.482 2.785 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(I)cc2O)CCC[C@@H]1O ZINC001232974000 1036205450 /nfs/dbraw/zinc/20/54/50/1036205450.db2.gz FGQGJJIDBKTJJX-MFKMUULPSA-N 1 0 361.223 2.590 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)cc1Br ZINC001233135027 1036383722 /nfs/dbraw/zinc/38/37/22/1036383722.db2.gz JSFCIAYPCBATKK-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCc2noc(C)n2)cc1Br ZINC001233135407 1036385524 /nfs/dbraw/zinc/38/55/24/1036385524.db2.gz SCIJQVMVKMNKPY-UHFFFAOYSA-N 1 0 356.220 2.529 20 10 FFCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(Br)c(OC)cc3O)C[C@@H]2C1 ZINC001233141956 1036391807 /nfs/dbraw/zinc/39/18/07/1036391807.db2.gz MRXKSADCFWINRZ-KBPBESRZSA-N 1 0 369.303 2.937 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1Br ZINC001233142479 1036392816 /nfs/dbraw/zinc/39/28/16/1036392816.db2.gz PPPZYELRJYEMRW-GFCCVEGCSA-N 1 0 367.247 2.592 20 10 FFCDRO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233196735 1036432118 /nfs/dbraw/zinc/43/21/18/1036432118.db2.gz ZXYMNQAZIKAYTR-NSHDSACASA-N 1 0 363.255 2.970 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3Cl)C2)nc1 ZINC001140925497 1036464781 /nfs/dbraw/zinc/46/47/81/1036464781.db2.gz CBKXXYXDFSVHHT-OAHLLOKOSA-N 1 0 362.861 2.858 20 10 FFCDRO CCOC(=O)c1c(C[NH+]2CCC3(CCOC3=O)CC2)c2ccccc2n1C ZINC001233272936 1036480234 /nfs/dbraw/zinc/48/02/34/1036480234.db2.gz HSVJRYBADGBVTA-UHFFFAOYSA-N 1 0 370.449 2.884 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(C(C)(C)C)ccc2O)O1 ZINC001233285330 1036492134 /nfs/dbraw/zinc/49/21/34/1036492134.db2.gz BMSQYMKEWPALBJ-QRQLOZEOSA-N 1 0 360.498 2.946 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333056 1036538017 /nfs/dbraw/zinc/53/80/17/1036538017.db2.gz IDDLEDCCQZKFDJ-QRWLVFNGSA-N 1 0 358.388 2.776 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cc(O)c(O)cc4O)C[C@H]3C2)cc1 ZINC001233484127 1036651855 /nfs/dbraw/zinc/65/18/55/1036651855.db2.gz ZBMPDMJWKQJCKO-HDICACEKSA-N 1 0 354.450 2.676 20 10 FFCDRO CC[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001233487848 1036658354 /nfs/dbraw/zinc/65/83/54/1036658354.db2.gz UURMMHJIHZCCJY-SFHVURJKSA-N 1 0 372.465 2.526 20 10 FFCDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001229543211 1036731669 /nfs/dbraw/zinc/73/16/69/1036731669.db2.gz WWRLOFMUXWRXMK-CYBMUJFWSA-O 1 0 354.426 2.950 20 10 FFCDRO CC1(N2CCOCC2)CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233761665 1036751371 /nfs/dbraw/zinc/75/13/71/1036751371.db2.gz XJCQVVRIQVXJMG-UHFFFAOYSA-N 1 0 374.403 2.978 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cccc1OC(F)(F)F ZINC001233776551 1036759026 /nfs/dbraw/zinc/75/90/26/1036759026.db2.gz VNEOMUVBMSCQIW-GFCCVEGCSA-N 1 0 373.306 2.873 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1c1ccc(O)cc1 ZINC001207007485 1037049819 /nfs/dbraw/zinc/04/98/19/1037049819.db2.gz IKEUFGUUFUXGMW-RBUKOAKNSA-N 1 0 371.433 2.803 20 10 FFCDRO CCNC(=O)COC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234570038 1037093382 /nfs/dbraw/zinc/09/33/82/1037093382.db2.gz WHNLDPZPBFQUCX-UHFFFAOYSA-N 1 0 372.465 2.671 20 10 FFCDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234751649 1037166486 /nfs/dbraw/zinc/16/64/86/1037166486.db2.gz BRDKEIUQGWAUOG-SNVBAGLBSA-O 1 0 360.386 2.537 20 10 FFCDRO COCCN1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1=O ZINC001234996290 1037286985 /nfs/dbraw/zinc/28/69/85/1037286985.db2.gz ZULXSPLPBYLPKE-ICSRJNTNSA-N 1 0 366.461 2.596 20 10 FFCDRO COc1ccc(Br)c(CN2CCCC[C@]23CC[NH2+]C3)c1O ZINC001235115455 1037368357 /nfs/dbraw/zinc/36/83/57/1037368357.db2.gz AQFQHIZHBNMACY-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CCCCCO)C3)C2)cc1 ZINC001235491590 1037585615 /nfs/dbraw/zinc/58/56/15/1037585615.db2.gz CAQIPXWONZBJIC-OAQYLSRUSA-N 1 0 362.514 2.777 20 10 FFCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001235681027 1037680065 /nfs/dbraw/zinc/68/00/65/1037680065.db2.gz YYYCGJRNPVPXGL-GUDVDZBRSA-N 1 0 372.509 2.805 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2c(O)ccc3ccccc32)C1 ZINC001231588242 1037708931 /nfs/dbraw/zinc/70/89/31/1037708931.db2.gz UPXMRPWMVGCLGE-INIZCTEOSA-N 1 0 350.466 2.936 20 10 FFCDRO O=C(N[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H]2COC[C@H]12)C1CCC1 ZINC001231587926 1037709543 /nfs/dbraw/zinc/70/95/43/1037709543.db2.gz PJFJKEWHJRUPMW-VAMGGRTRSA-N 1 0 366.461 2.661 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC001231592465 1037710207 /nfs/dbraw/zinc/71/02/07/1037710207.db2.gz MQZMVTCVYZJILU-UHFFFAOYSA-N 1 0 354.450 2.805 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1O ZINC001231593657 1037714087 /nfs/dbraw/zinc/71/40/87/1037714087.db2.gz SXRHZMDUQJLGET-JENIJYKNSA-N 1 0 355.438 2.549 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001235781110 1037741573 /nfs/dbraw/zinc/74/15/73/1037741573.db2.gz VKDVBAIBYIGVKR-SJLPKXTDSA-N 1 0 358.413 2.521 20 10 FFCDRO COCCCN(Cc1c2ccccc2n(C)c1C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001235806307 1037754225 /nfs/dbraw/zinc/75/42/25/1037754225.db2.gz NDZNFCRUTASHPZ-MRXNPFEDSA-N 1 0 373.497 2.555 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(O)cc1O ZINC001231636995 1037757503 /nfs/dbraw/zinc/75/75/03/1037757503.db2.gz CRFVPWBHWZDOCP-UHFFFAOYSA-N 1 0 365.433 2.977 20 10 FFCDRO COCCCN(Cc1c(O)cccc1Br)[C@@H]1CCC[NH2+]C1 ZINC001235807961 1037759313 /nfs/dbraw/zinc/75/93/13/1037759313.db2.gz QEOOOTPZGABQBT-CYBMUJFWSA-N 1 0 357.292 2.745 20 10 FFCDRO CCOC(=O)CN(Cc1ccsc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236004853 1037884361 /nfs/dbraw/zinc/88/43/61/1037884361.db2.gz HWZSTUZWHQKHRF-UHFFFAOYSA-N 1 0 373.522 2.723 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c(O)c1 ZINC001231844880 1037943623 /nfs/dbraw/zinc/94/36/23/1037943623.db2.gz PLLBQRZQLGNECW-OAQYLSRUSA-N 1 0 360.498 2.858 20 10 FFCDRO CCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)[C@H]1Cc1cnn(C)c1 ZINC001231851760 1037948266 /nfs/dbraw/zinc/94/82/66/1037948266.db2.gz BJIZFXQUFMJNJP-PMACEKPBSA-N 1 0 372.513 2.717 20 10 FFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231857421 1037954936 /nfs/dbraw/zinc/95/49/36/1037954936.db2.gz JOGXCFHHEHGUNF-UHFFFAOYSA-N 1 0 362.518 2.777 20 10 FFCDRO c1nc2n(c1-c1ccccc1)CCN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236168983 1037963149 /nfs/dbraw/zinc/96/31/49/1037963149.db2.gz YPRBGRYPUFIZAH-UHFFFAOYSA-N 1 0 373.504 2.976 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)cc1Cl ZINC001231870034 1037965092 /nfs/dbraw/zinc/96/50/92/1037965092.db2.gz GSRDQNGEZBGPFC-UHFFFAOYSA-N 1 0 352.862 2.614 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)C1=O ZINC001231868495 1037965517 /nfs/dbraw/zinc/96/55/17/1037965517.db2.gz COBPVYJCFWJDDW-UHFFFAOYSA-N 1 0 366.889 2.815 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231868322 1037965957 /nfs/dbraw/zinc/96/59/57/1037965957.db2.gz AFGFHZBVAYHISN-UHFFFAOYSA-N 1 0 366.889 2.957 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@H]([NH2+]C3CC3)C2)cc1Br ZINC001236221588 1037991533 /nfs/dbraw/zinc/99/15/33/1037991533.db2.gz FTIJPTBBBJLIIG-ZDUSSCGKSA-N 1 0 355.276 2.880 20 10 FFCDRO COCCN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CC[NH2+]C1 ZINC001236335470 1038051142 /nfs/dbraw/zinc/05/11/42/1038051142.db2.gz PANSDEINYUIDAC-IBGZPJMESA-N 1 0 356.466 2.782 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)cc1OC ZINC001236751121 1038238017 /nfs/dbraw/zinc/23/80/17/1038238017.db2.gz CJGONIDRXSTEKR-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)cc1Br ZINC001236754512 1038241107 /nfs/dbraw/zinc/24/11/07/1038241107.db2.gz VDNPJEHCOPPRCV-ZDUSSCGKSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236755125 1038242661 /nfs/dbraw/zinc/24/26/61/1038242661.db2.gz ZIUYGIFRWWWCPE-OAHLLOKOSA-N 1 0 374.437 2.856 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c(O)c1 ZINC001236787269 1038268396 /nfs/dbraw/zinc/26/83/96/1038268396.db2.gz KCJXDPCBOUVQKB-UHFFFAOYSA-N 1 0 352.482 2.946 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236809096 1038284125 /nfs/dbraw/zinc/28/41/25/1038284125.db2.gz SZZGRRUAQKADEO-CABCVRRESA-N 1 0 351.340 2.937 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001278023114 1038332165 /nfs/dbraw/zinc/33/21/65/1038332165.db2.gz LABIBRCOKMYMJA-ZMZPIMSZSA-N 1 0 368.836 2.587 20 10 FFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001236932248 1038364280 /nfs/dbraw/zinc/36/42/80/1038364280.db2.gz WLOUNFJPOGFQHL-QGZVFWFLSA-N 1 0 361.877 2.605 20 10 FFCDRO CCN(CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940328 1038368123 /nfs/dbraw/zinc/36/81/23/1038368123.db2.gz ZSGQZKNUXSSEOA-UHFFFAOYSA-N 1 0 365.493 2.741 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(O)c1 ZINC001237039680 1038416614 /nfs/dbraw/zinc/41/66/14/1038416614.db2.gz BVBYGYTVOKVWLA-UTKZUKDTSA-N 1 0 370.449 2.713 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)c(O)c1 ZINC001237049214 1038424212 /nfs/dbraw/zinc/42/42/12/1038424212.db2.gz UIEHPHMYFNKFFX-MISYRCLQSA-N 1 0 374.481 2.801 20 10 FFCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237058469 1038427049 /nfs/dbraw/zinc/42/70/49/1038427049.db2.gz CFKINPGQYCEHIH-UHFFFAOYSA-N 1 0 354.328 2.992 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c(Br)c1 ZINC001237058609 1038427227 /nfs/dbraw/zinc/42/72/27/1038427227.db2.gz AVUYIPFJWXPALG-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237059973 1038428533 /nfs/dbraw/zinc/42/85/33/1038428533.db2.gz RTSQDFMHCAJOOT-UHFFFAOYSA-N 1 0 374.359 2.750 20 10 FFCDRO O=C([C@H]1CCCCN1Cc1c(O)ccc(Cl)c1Cl)N1CCOCC1 ZINC001237083181 1038439887 /nfs/dbraw/zinc/43/98/87/1038439887.db2.gz ZRARHOYAJJOAQV-CQSZACIVSA-N 1 0 373.280 2.912 20 10 FFCDRO C[C@@H]1N(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOC1(C)C ZINC001256236460 1038443960 /nfs/dbraw/zinc/44/39/60/1038443960.db2.gz GJWZOWQYZXTFDM-YJBOKZPZSA-N 1 0 362.518 2.564 20 10 FFCDRO C[C@H]1N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOC1(C)C ZINC001256236457 1038444343 /nfs/dbraw/zinc/44/43/43/1038444343.db2.gz GJWZOWQYZXTFDM-CRAIPNDOSA-N 1 0 362.518 2.564 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2([C@H]3CCCCO3)CC2)[NH+](C)C)cc1 ZINC001256237032 1038445583 /nfs/dbraw/zinc/44/55/83/1038445583.db2.gz PHQMMPSKAIGOIY-RTBURBONSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237202413 1038475033 /nfs/dbraw/zinc/47/50/33/1038475033.db2.gz GNGHUYJFIAKSAS-SFHVURJKSA-N 1 0 354.491 2.636 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256334546 1038483400 /nfs/dbraw/zinc/48/34/00/1038483400.db2.gz JIIZEZXILTYBLI-MGPUTAFESA-N 1 0 360.498 2.859 20 10 FFCDRO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001257073304 1038702551 /nfs/dbraw/zinc/70/25/51/1038702551.db2.gz ZCJGWTRJNIOPSF-HOTGVXAUSA-N 1 0 362.470 2.558 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)c1 ZINC001278615852 1038823419 /nfs/dbraw/zinc/82/34/19/1038823419.db2.gz YLSUWEQCXVVDCJ-IYBDPMFKSA-N 1 0 358.404 2.928 20 10 FFCDRO C[C@@H]([NH2+]CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC001250950457 1038846195 /nfs/dbraw/zinc/84/61/95/1038846195.db2.gz RONIRXUAWLHZFQ-CQSZACIVSA-N 1 0 350.459 2.805 20 10 FFCDRO CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001251501213 1039159761 /nfs/dbraw/zinc/15/97/61/1039159761.db2.gz OKYJFEZXWHQGBZ-RBUKOAKNSA-N 1 0 362.518 2.566 20 10 FFCDRO COC1([C@@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001251935016 1039367211 /nfs/dbraw/zinc/36/72/11/1039367211.db2.gz CJBVUKYFSSIEAT-QAPCUYQASA-N 1 0 362.518 2.612 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1O ZINC001276682985 1039506604 /nfs/dbraw/zinc/50/66/04/1039506604.db2.gz FKYDMKBOBTVNPE-OAQYLSRUSA-N 1 0 351.450 2.720 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C4CCCC4)C3=O)C2)c1O ZINC001276683304 1039517425 /nfs/dbraw/zinc/51/74/25/1039517425.db2.gz JLWVRFGFJFULMB-OAQYLSRUSA-N 1 0 356.466 2.984 20 10 FFCDRO O=C1C[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CCN1 ZINC001247001372 1039572068 /nfs/dbraw/zinc/57/20/68/1039572068.db2.gz JQAXLFQOAIVWNW-FQEVSTJZSA-N 1 0 365.477 2.666 20 10 FFCDRO COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001252730223 1039672859 /nfs/dbraw/zinc/67/28/59/1039672859.db2.gz LFQMTDWGQFORSZ-IBGZPJMESA-N 1 0 356.466 2.825 20 10 FFCDRO CN1CCOc2cc(CN3CC4(C3)C[NH+](CCCC(F)(F)F)C4)ccc21 ZINC001278745381 1040427522 /nfs/dbraw/zinc/42/75/22/1040427522.db2.gz CNKBQEMWAMXOGP-UHFFFAOYSA-N 1 0 369.431 2.975 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c(O)c1 ZINC001249172466 1040614222 /nfs/dbraw/zinc/61/42/22/1040614222.db2.gz NBIOMHGFQCFEQY-UHFFFAOYSA-N 1 0 369.461 2.677 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(O)c1 ZINC001249172347 1040614419 /nfs/dbraw/zinc/61/44/19/1040614419.db2.gz LNEXLHHUKPQMSL-UHFFFAOYSA-N 1 0 358.413 2.569 20 10 FFCDRO CCCc1noc([C@H]2CCC[N@H+](Cc3ccc(CC(=O)OC)cc3O)C2)n1 ZINC001249207674 1040628651 /nfs/dbraw/zinc/62/86/51/1040628651.db2.gz GNDTXZVTYWBGLY-INIZCTEOSA-N 1 0 373.453 2.823 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C)ccn3)C2)c(O)c1 ZINC001249216970 1040631796 /nfs/dbraw/zinc/63/17/96/1040631796.db2.gz ISRRODLTLRZCPI-SFHVURJKSA-N 1 0 370.449 2.855 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254289325 1040661270 /nfs/dbraw/zinc/66/12/70/1040661270.db2.gz SHVVNHBLGFKXQM-YOEHRIQHSA-N 1 0 366.458 2.510 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC)O1 ZINC001254716443 1040904678 /nfs/dbraw/zinc/90/46/78/1040904678.db2.gz NPBKRRYWOXLZMK-PMACEKPBSA-N 1 0 374.529 2.537 20 10 FFCDRO Cc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001254716404 1040905798 /nfs/dbraw/zinc/90/57/98/1040905798.db2.gz MDYVSFWXZQCKHU-UHFFFAOYSA-N 1 0 370.472 2.885 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001249726252 1040966239 /nfs/dbraw/zinc/96/62/39/1040966239.db2.gz ZBTYVKDCNSAGOT-HNNXBMFYSA-N 1 0 363.454 2.915 20 10 FFCDRO O=c1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2O)C3)[nH]1 ZINC001278551305 1041111891 /nfs/dbraw/zinc/11/18/91/1041111891.db2.gz GLVZLRGSEUGSDW-NRFANRHFSA-N 1 0 353.466 2.981 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001278551530 1041114486 /nfs/dbraw/zinc/11/44/86/1041114486.db2.gz JCIAKXLQBDFNMM-HOTGVXAUSA-N 1 0 356.426 2.878 20 10 FFCDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001255122050 1041156808 /nfs/dbraw/zinc/15/68/08/1041156808.db2.gz UWDUEBKXBGIDDY-UHFFFAOYSA-N 1 0 374.506 2.898 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001278576005 1041233890 /nfs/dbraw/zinc/23/38/90/1041233890.db2.gz CDXLKTYMKIMFQS-HXUWFJFHSA-N 1 0 356.470 2.612 20 10 FFCDRO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c(O)c1 ZINC001278578433 1041242458 /nfs/dbraw/zinc/24/24/58/1041242458.db2.gz RBVFNJDMXJOVPS-WBVHZDCISA-N 1 0 374.403 2.628 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)cc2F)CC1 ZINC001261692949 1041373679 /nfs/dbraw/zinc/37/36/79/1041373679.db2.gz BNHKPBDCZJDESG-SZPZYZBQSA-N 1 0 373.516 2.970 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@]3(F)CCOC3)C2)cc1C ZINC001263916779 1042530192 /nfs/dbraw/zinc/53/01/92/1042530192.db2.gz GIASJYOSOHTDHO-SQGPQFPESA-N 1 0 364.461 2.507 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)[C@@H]2C1 ZINC001279129281 1042911413 /nfs/dbraw/zinc/91/14/13/1042911413.db2.gz UYMSUISBJLDEGQ-QFBILLFUSA-N 1 0 362.514 2.816 20 10 FFCDRO O=C(Cc1ccsc1)N1CC2(C1)CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001279221053 1042950229 /nfs/dbraw/zinc/95/02/29/1042950229.db2.gz PDAWZAJUMRGNCM-UHFFFAOYSA-N 1 0 372.490 2.826 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@]3(CCCN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001279225794 1042952872 /nfs/dbraw/zinc/95/28/72/1042952872.db2.gz SNBLKFNSXSAILD-FQEVSTJZSA-N 1 0 356.470 2.699 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)c1O ZINC001279235563 1042958932 /nfs/dbraw/zinc/95/89/32/1042958932.db2.gz RJLCOFKJHSUHOA-UHFFFAOYSA-N 1 0 357.376 2.541 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001279235795 1042959399 /nfs/dbraw/zinc/95/93/99/1042959399.db2.gz UCNWVSZANISOGL-MSOLQXFVSA-N 1 0 354.498 2.932 20 10 FFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(Br)ccc(OC)c1O ZINC001279282434 1042982298 /nfs/dbraw/zinc/98/22/98/1042982298.db2.gz QKSRERVGFFMVJE-YOGCLGLASA-N 1 0 355.276 2.878 20 10 FFCDRO COCCOCN1CCC[C@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001279421393 1043093345 /nfs/dbraw/zinc/09/33/45/1043093345.db2.gz HBDAANVVVHGQKH-FQEVSTJZSA-N 1 0 366.477 2.830 20 10 FFCDRO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])cccc1F)C2 ZINC001279421200 1043094805 /nfs/dbraw/zinc/09/48/05/1043094805.db2.gz BOMIAJDSNWFQQJ-ZFWWWQNUSA-N 1 0 356.401 2.665 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CC2(C1)CC[N@H+](Cc1ccc[nH]1)C2 ZINC001279430419 1043105121 /nfs/dbraw/zinc/10/51/21/1043105121.db2.gz GBCXVDUGFYNUKN-UHFFFAOYSA-N 1 0 354.498 2.797 20 10 FFCDRO Cc1cc(C)c(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c(O)c1 ZINC001279431773 1043106102 /nfs/dbraw/zinc/10/61/02/1043106102.db2.gz AQEMJAGQTWXIOR-LEWJYISDSA-N 1 0 359.514 2.622 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001279437367 1043111575 /nfs/dbraw/zinc/11/15/75/1043111575.db2.gz LNBBOBVEBOADLM-APWZRJJASA-N 1 0 356.466 2.672 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC001279438029 1043111884 /nfs/dbraw/zinc/11/18/84/1043111884.db2.gz VQTIBQNQKOQSDB-KDURUIRLSA-N 1 0 356.466 2.815 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414105 1043149127 /nfs/dbraw/zinc/14/91/27/1043149127.db2.gz LSNSAQWKPHWTGU-BXUZGUMPSA-N 1 0 372.250 2.571 20 10 FFCDRO CCOC(=O)c1c(CN2CCCC3(C[NH+](C)C3)C2)c2ccccc2n1C ZINC001279472902 1043154211 /nfs/dbraw/zinc/15/42/11/1043154211.db2.gz OPRWXPYBMNZEPS-UHFFFAOYSA-N 1 0 355.482 2.883 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N(C)C)cc2)c1 ZINC001237434272 1043160068 /nfs/dbraw/zinc/16/00/68/1043160068.db2.gz BWZWIJVDGBXOMD-HXUWFJFHSA-N 1 0 353.466 2.686 20 10 FFCDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001237484338 1043196746 /nfs/dbraw/zinc/19/67/46/1043196746.db2.gz CEAVTXOAVNHXEU-OAHLLOKOSA-N 1 0 350.459 2.768 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001237489575 1043203351 /nfs/dbraw/zinc/20/33/51/1043203351.db2.gz ZOFXRHQBGBSKAZ-QGZVFWFLSA-N 1 0 351.450 2.734 20 10 FFCDRO COc1ccc(OC2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)nc1 ZINC001237683120 1043309925 /nfs/dbraw/zinc/30/99/25/1043309925.db2.gz FFUPZYIQRPUPCX-UHFFFAOYSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3nccc(C)n3)CC2)c(O)c(OC)c1 ZINC001237683954 1043311365 /nfs/dbraw/zinc/31/13/65/1043311365.db2.gz LVGHEKKKWKGPPI-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)c1O ZINC001237685685 1043313220 /nfs/dbraw/zinc/31/32/20/1043313220.db2.gz NYNVGTUXUHTMLI-LJQANCHMSA-N 1 0 374.872 2.717 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001237688063 1043315059 /nfs/dbraw/zinc/31/50/59/1043315059.db2.gz ZUHVAPKPRYNYJZ-UHFFFAOYSA-N 1 0 366.889 2.957 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc4c3OCC4)CC2)cc1 ZINC001237748287 1043338036 /nfs/dbraw/zinc/33/80/36/1043338036.db2.gz AKELUHCMBFPDTK-UHFFFAOYSA-N 1 0 368.477 2.969 20 10 FFCDRO Cc1cc(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)ccc1Cl ZINC001237746857 1043338333 /nfs/dbraw/zinc/33/83/33/1043338333.db2.gz UYHAKESYTDQRIF-UHFFFAOYSA-N 1 0 365.886 2.859 20 10 FFCDRO CC[N@H+](CCn1ccnc1)Cc1cccc(I)c1[O-] ZINC001237790337 1043359836 /nfs/dbraw/zinc/35/98/36/1043359836.db2.gz ZSCKRRSXHTZWFG-UHFFFAOYSA-N 1 0 371.222 2.715 20 10 FFCDRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cc(F)cc(Cl)c3[O-])C[C@H]2C1 ZINC001237800396 1043366913 /nfs/dbraw/zinc/36/69/13/1043366913.db2.gz NUCXIPQSJCELAM-STQMWFEESA-N 1 0 364.804 2.982 20 10 FFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)cc1Cl ZINC001237813332 1043375318 /nfs/dbraw/zinc/37/53/18/1043375318.db2.gz NKJMCYSLZHBDSI-UHFFFAOYSA-N 1 0 351.859 2.597 20 10 FFCDRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)cc(C)c2O)n1 ZINC001238060354 1043507013 /nfs/dbraw/zinc/50/70/13/1043507013.db2.gz HFWFSAJTWJQPRB-RBUKOAKNSA-N 1 0 369.440 2.919 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)Nc4nnco4)(C2)C3)cc1 ZINC001279743186 1043572593 /nfs/dbraw/zinc/57/25/93/1043572593.db2.gz IFXQGPCHNSAKFV-UHFFFAOYSA-N 1 0 355.442 2.567 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)N(C)CCOC)(C2)C3)cc1 ZINC001279748274 1043580087 /nfs/dbraw/zinc/58/00/87/1043580087.db2.gz YAMZHNBQJDACRP-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c(OC)c1 ZINC001279758482 1043595512 /nfs/dbraw/zinc/59/55/12/1043595512.db2.gz GMNMFZMIRAWBFT-FQEVSTJZSA-N 1 0 356.470 2.919 20 10 FFCDRO O=C(Nc1cn[nH]c1)C12CC([NH2+]Cc3ccc(N4CCCC4)cc3)(C1)C2 ZINC001279854529 1043780007 /nfs/dbraw/zinc/78/00/07/1043780007.db2.gz IMLIRCVRCQGFDA-UHFFFAOYSA-N 1 0 351.454 2.661 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)c(O)c1 ZINC001279980823 1044026993 /nfs/dbraw/zinc/02/69/93/1044026993.db2.gz QQVMJEMEMUHRBM-KRWDZBQOSA-N 1 0 360.454 2.557 20 10 FFCDRO NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001279982266 1044031076 /nfs/dbraw/zinc/03/10/76/1044031076.db2.gz CGCAEUYOJKGZRO-CZUORRHYSA-N 1 0 353.260 2.632 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@@H]2CC23C[NH+](Cc2cc(Cl)ccc2O)C3)C[C@H](C)O1 ZINC001279983157 1044033927 /nfs/dbraw/zinc/03/39/27/1044033927.db2.gz FEOJQPILEOOKOZ-ZENOOKHLSA-N 1 0 364.873 2.503 20 10 FFCDRO O=C(NCCCc1ccccc1)NCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001239223574 1044076012 /nfs/dbraw/zinc/07/60/12/1044076012.db2.gz OUYBJQSGOBUAON-UHFFFAOYSA-N 1 0 352.482 2.528 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(N)=O)c2ccccc23)c(O)c1 ZINC001280046066 1044132871 /nfs/dbraw/zinc/13/28/71/1044132871.db2.gz GUHDXSYKIUYYON-LJQANCHMSA-N 1 0 352.434 2.749 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H](C(=O)NC(C)(C)C)n3nccc3C2)c(O)c1 ZINC001280047170 1044136012 /nfs/dbraw/zinc/13/60/12/1044136012.db2.gz ZYFURJIKYDVBAO-QGZVFWFLSA-N 1 0 356.470 2.759 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC001312818997 1044176679 /nfs/dbraw/zinc/17/66/79/1044176679.db2.gz SCBYNIOALQANFQ-CVEARBPZSA-N 1 0 354.445 2.842 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC34CC4)cc2)CC1 ZINC001313103737 1044237147 /nfs/dbraw/zinc/23/71/47/1044237147.db2.gz ALQIAGQBVCVNER-SFHVURJKSA-N 1 0 356.514 2.818 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cccc3c[nH]nc32)cc(F)c1N1CCOCC1 ZINC001325013377 1046335175 /nfs/dbraw/zinc/33/51/75/1046335175.db2.gz NNDKLWCWGYYBJG-UHFFFAOYSA-N 1 0 358.392 2.968 20 10 FFCDRO C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001325625829 1046582727 /nfs/dbraw/zinc/58/27/27/1046582727.db2.gz LVTMJWONKAVXDH-MRVPVSSYSA-N 1 0 366.097 2.862 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)cc2F)CC1 ZINC001326444443 1046935264 /nfs/dbraw/zinc/93/52/64/1046935264.db2.gz SQKSUTONEVTAIX-HXUWFJFHSA-N 1 0 361.436 2.540 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)cc2)CC1 ZINC001326492990 1046954924 /nfs/dbraw/zinc/95/49/24/1046954924.db2.gz VNHRVZUOPNLETQ-GOSISDBHSA-N 1 0 371.525 2.792 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCc4cccc(O)c43)c2)CC1 ZINC001326623256 1047005581 /nfs/dbraw/zinc/00/55/81/1047005581.db2.gz OCPCFRWVFQPGRV-HXUWFJFHSA-N 1 0 351.494 2.917 20 10 FFCDRO CC(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001288329681 1047448959 /nfs/dbraw/zinc/44/89/59/1047448959.db2.gz FQJKEYLZZGTSJR-UHFFFAOYSA-N 1 0 352.482 2.887 20 10 FFCDRO CCO[C@@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C[NH+](C)C ZINC001288684905 1047498108 /nfs/dbraw/zinc/49/81/08/1047498108.db2.gz FLCKNFKYXXWUEC-FQEVSTJZSA-N 1 0 357.498 2.720 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3ccccc3O2)[NH+](C)C)cc1 ZINC001289602478 1047708345 /nfs/dbraw/zinc/70/83/45/1047708345.db2.gz RZMLZPZBKDVBDG-CTNGQTDRSA-N 1 0 367.493 2.865 20 10 FFCDRO C[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001327478825 1047915197 /nfs/dbraw/zinc/91/51/97/1047915197.db2.gz FHWZBUBBCXXNAK-MOPGFXCFSA-N 1 0 356.445 2.695 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1F ZINC001331517738 1047981577 /nfs/dbraw/zinc/98/15/77/1047981577.db2.gz FKXICYLVXBCFQV-FZKQIMNGSA-N 1 0 354.441 2.688 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](C)C[C@@H]3n3cncn3)C2)cc1 ZINC001328097558 1048176346 /nfs/dbraw/zinc/17/63/46/1048176346.db2.gz LYDSGWNUTICYCS-GJJHYRHESA-N 1 0 355.486 2.885 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001329175679 1048607776 /nfs/dbraw/zinc/60/77/76/1048607776.db2.gz ZLHQJKNTDYVNSQ-RBSFLKMASA-N 1 0 364.453 2.555 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1cccc(C)c1)cc2=O ZINC000832733657 1048997759 /nfs/dbraw/zinc/99/77/59/1048997759.db2.gz VDNXOLKBZCFDRN-ZDUSSCGKSA-N 1 0 354.410 2.771 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001295275070 1049913003 /nfs/dbraw/zinc/91/30/03/1049913003.db2.gz DWXFNNAPEOHPJC-IEBWSBKVSA-N 1 0 359.514 2.854 20 10 FFCDRO O=C(NCCCSc1nccs1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340062941 1050471112 /nfs/dbraw/zinc/47/11/12/1050471112.db2.gz JNUVXIDGDGYBGG-UHFFFAOYSA-N 1 0 353.435 2.674 20 10 FFCDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001342274728 1050865383 /nfs/dbraw/zinc/86/53/83/1050865383.db2.gz JDNDPVLRGRVSOR-UHFFFAOYSA-N 1 0 360.527 2.976 20 10 FFCDRO Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc(N(C)C)cc1C ZINC001542226667 1071192884 /nfs/dbraw/zinc/19/28/84/1071192884.db2.gz FMJHMBBOANZXGW-HXUWFJFHSA-N 1 0 368.529 2.684 20 10 FFCDRO CCOc1ccc(C[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC001308186996 1052428859 /nfs/dbraw/zinc/42/88/59/1052428859.db2.gz PWRORGUXGCXTBQ-UHFFFAOYSA-N 1 0 373.497 2.989 20 10 FFCDRO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308304251 1052444174 /nfs/dbraw/zinc/44/41/74/1052444174.db2.gz XRJQLWXJODPLGJ-HXUWFJFHSA-N 1 0 357.473 2.709 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001308755954 1052495956 /nfs/dbraw/zinc/49/59/56/1052495956.db2.gz URFDLZOYHZYBGC-UHFFFAOYSA-N 1 0 356.894 2.605 20 10 FFCDRO CC[C@H](O)C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001335351496 1053310948 /nfs/dbraw/zinc/31/09/48/1053310948.db2.gz OHHICHWUZHXUCU-DLBZAZTESA-N 1 0 351.491 2.679 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001336081910 1053755602 /nfs/dbraw/zinc/75/56/02/1053755602.db2.gz GWSHWAFMWUNELZ-TUKIKUTGSA-N 1 0 358.408 2.735 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]2[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC001347980719 1054522901 /nfs/dbraw/zinc/52/29/01/1054522901.db2.gz MGKADABPMIGITH-SXLOBPIMSA-N 1 0 374.529 2.566 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC001351717972 1054968193 /nfs/dbraw/zinc/96/81/93/1054968193.db2.gz ZEDRCEVZSRDADE-MRXNPFEDSA-N 1 0 361.873 2.544 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@](C)(O)c1ccccc1 ZINC001349568105 1055342845 /nfs/dbraw/zinc/34/28/45/1055342845.db2.gz FCEIPOMJQJLNCK-HTAPYJJXSA-N 1 0 371.500 2.963 20 10 FFCDRO CCc1cccc(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000848917988 1055365682 /nfs/dbraw/zinc/36/56/82/1055365682.db2.gz MEALXQNGFBUDAG-UHFFFAOYSA-N 1 0 364.486 2.806 20 10 FFCDRO Cc1ccccc1NC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001349912418 1055536485 /nfs/dbraw/zinc/53/64/85/1055536485.db2.gz XPLFPSQITMIUHW-KRWDZBQOSA-N 1 0 365.481 2.833 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnn(Cc4ccncc4)c3)cc2)CC1 ZINC001200057999 1055548316 /nfs/dbraw/zinc/54/83/16/1055548316.db2.gz SDTWCVQQAMNECT-UHFFFAOYSA-N 1 0 362.481 2.690 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1F ZINC001338489559 1055562296 /nfs/dbraw/zinc/56/22/96/1055562296.db2.gz VTVDAEPHWZROLE-UEDWGHLCSA-N 1 0 370.472 2.750 20 10 FFCDRO c1cc(N2CCOCC2)ccc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000849352651 1056837376 /nfs/dbraw/zinc/83/73/76/1056837376.db2.gz ORFGMDWEBVSHAY-NRFANRHFSA-N 1 0 353.466 2.796 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001544892103 1071708042 /nfs/dbraw/zinc/70/80/42/1071708042.db2.gz MNMJSRJCCCISJF-MJGOQNOKSA-N 1 0 359.514 2.854 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001507099578 1059598178 /nfs/dbraw/zinc/59/81/78/1059598178.db2.gz DTCTZDOZOGYVFR-HGKSCXNLSA-N 1 0 360.498 2.755 20 10 FFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001355215179 1059999631 /nfs/dbraw/zinc/99/96/31/1059999631.db2.gz SKJRCWFOVUKHIN-HNNXBMFYSA-N 1 0 350.459 2.538 20 10 FFCDRO Cc1ncc(/C=C/C(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC001355233854 1060019712 /nfs/dbraw/zinc/01/97/12/1060019712.db2.gz UVPBAHWVIKDWPZ-BUWFCSEKSA-N 1 0 369.490 2.974 20 10 FFCDRO Cc1ncc(/C=C/C(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC001355233858 1060020487 /nfs/dbraw/zinc/02/04/87/1060020487.db2.gz UVPBAHWVIKDWPZ-MIVXPEEVSA-N 1 0 369.490 2.974 20 10 FFCDRO O=C(NCc1c(O)cccc1O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001456233916 1060063426 /nfs/dbraw/zinc/06/34/26/1060063426.db2.gz GPTDKDAIYSQPQU-OAHLLOKOSA-N 1 0 358.413 2.765 20 10 FFCDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001460640425 1061043692 /nfs/dbraw/zinc/04/36/92/1061043692.db2.gz VQJFEMKIFFFYQH-GFCCVEGCSA-N 1 0 359.382 2.988 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccnc2-n2cccn2)cc1Cn1cccn1 ZINC001461179381 1061239147 /nfs/dbraw/zinc/23/91/47/1061239147.db2.gz WJTRKXCQYDEYDL-UHFFFAOYSA-N 1 0 374.448 2.811 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001461350908 1061298412 /nfs/dbraw/zinc/29/84/12/1061298412.db2.gz ZTYNBJTUSNTVIJ-LJQANCHMSA-N 1 0 367.559 2.827 20 10 FFCDRO COc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001475976854 1061324598 /nfs/dbraw/zinc/32/45/98/1061324598.db2.gz SJRVQFGFUVKQOU-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000766116559 1061658249 /nfs/dbraw/zinc/65/82/49/1061658249.db2.gz DMAJTZBIFOLTJM-OCCSQVGLSA-N 1 0 366.458 2.754 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC001477846193 1061818220 /nfs/dbraw/zinc/81/82/20/1061818220.db2.gz DKIHBPJJSNTXMU-MRXNPFEDSA-N 1 0 350.482 2.955 20 10 FFCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC001438905186 1063068702 /nfs/dbraw/zinc/06/87/02/1063068702.db2.gz WXBYXSJYJVOWDT-HXUWFJFHSA-N 1 0 359.514 2.650 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)ncn3C)[NH+](C)C)cc1 ZINC001439961844 1063241915 /nfs/dbraw/zinc/24/19/15/1063241915.db2.gz TVFZVCFFLROTCL-HXUWFJFHSA-N 1 0 365.481 2.672 20 10 FFCDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1F ZINC001471545348 1064710693 /nfs/dbraw/zinc/71/06/93/1064710693.db2.gz QVYPFWPXSPYSOQ-OLMNPRSZSA-N 1 0 350.482 2.745 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3c(O)cccc3O)cc2)CC1 ZINC001472063992 1064915970 /nfs/dbraw/zinc/91/59/70/1064915970.db2.gz ROUKSGUQHRZSBE-UHFFFAOYSA-N 1 0 369.465 2.558 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCOCCOCC(=O)OC(C)(C)C)c(Cl)c1 ZINC001474292306 1065486455 /nfs/dbraw/zinc/48/64/55/1065486455.db2.gz CZFFPIOIFAOGKK-UHFFFAOYSA-N 1 0 373.877 2.819 20 10 FFCDRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O)N1CCOCC1 ZINC001474421351 1065516802 /nfs/dbraw/zinc/51/68/02/1065516802.db2.gz IXRPOCUUQYYIDA-SFHVURJKSA-N 1 0 374.868 2.605 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC001474624795 1065564472 /nfs/dbraw/zinc/56/44/72/1065564472.db2.gz BUJCFZMIMFMZEA-QWHCGFSZSA-N 1 0 361.360 2.883 20 10 FFCDRO CCC[NH2+]CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccccc1O ZINC001577568966 1078377918 /nfs/dbraw/zinc/37/79/18/1078377918.db2.gz YGNXQXWHSWDRPD-SFHVURJKSA-N 1 0 373.501 2.861 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1C[C@H]1CC1(C)C ZINC001578496397 1078482982 /nfs/dbraw/zinc/48/29/82/1078482982.db2.gz GGOBBMKPGDJYDN-OAGGEKHMSA-N 1 0 355.486 2.871 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CC[C@@H]4CCCC[C@H]34)C2)cc1 ZINC001579224374 1078593402 /nfs/dbraw/zinc/59/34/02/1078593402.db2.gz GXRXSQSMGXRHDP-CPLUKWAASA-N 1 0 357.498 2.558 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001579617189 1078650770 /nfs/dbraw/zinc/65/07/70/1078650770.db2.gz MVANKZXMPIBIBA-LAUBAEHRSA-N 1 0 358.530 2.777 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@@H](C)[NH+](C)C)CCCC1 ZINC001584196556 1079320549 /nfs/dbraw/zinc/32/05/49/1079320549.db2.gz WKYJMJOAEVXGIL-OAHLLOKOSA-N 1 0 357.498 2.985 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2([NH+](C)C)CC2)CCCC1 ZINC001557083273 1075805455 /nfs/dbraw/zinc/80/54/55/1075805455.db2.gz STXABEHRWDACLU-UHFFFAOYSA-N 1 0 355.482 2.739 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccc(F)c3N)CC2)cc1 ZINC001560252565 1076256513 /nfs/dbraw/zinc/25/65/13/1076256513.db2.gz BYXVEHUEUVRTTM-UHFFFAOYSA-N 1 0 372.488 2.718 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2F)CC1 ZINC001560257068 1076257244 /nfs/dbraw/zinc/25/72/44/1076257244.db2.gz YIPAJTUHBAMBBT-UHFFFAOYSA-N 1 0 371.456 2.639 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn4ccccc34)cc2F)CC1 ZINC001560291041 1076261223 /nfs/dbraw/zinc/26/12/23/1076261223.db2.gz ZPVIQSZWPUVICX-UHFFFAOYSA-N 1 0 354.429 2.724 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001567222583 1077006956 /nfs/dbraw/zinc/00/69/56/1077006956.db2.gz QJJPYZHSRYBKDM-SCWSEQNSSA-N 1 0 360.498 2.947 20 10 FFCDRO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001590260419 1081129218 /nfs/dbraw/zinc/12/92/18/1081129218.db2.gz QTUYPEFSPVQJCZ-CABCVRRESA-N 1 0 358.490 2.735 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000359959671 210201417 /nfs/dbraw/zinc/20/14/17/210201417.db2.gz NDYLCKJTXBWILV-MRXNPFEDSA-N 1 0 360.841 2.945 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2)N1CCCCC1 ZINC000373169526 512204073 /nfs/dbraw/zinc/20/40/73/512204073.db2.gz WMJCQFXBGAGNTP-INIZCTEOSA-N 1 0 372.465 2.736 20 10 FFCDRO COc1c(O)c(CNc2c[nH+]ccc2-n2cc(C)cn2)ccc1[N+](=O)[O-] ZINC000373205226 512220368 /nfs/dbraw/zinc/22/03/68/512220368.db2.gz QMGRVJYYEMUUCI-UHFFFAOYSA-N 1 0 355.354 2.810 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000038082785 506433952 /nfs/dbraw/zinc/43/39/52/506433952.db2.gz KPCCYKSTCMKUME-MFKMUULPSA-N 1 0 362.289 2.630 20 10 FFCDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(O)c1O ZINC000373417337 512320025 /nfs/dbraw/zinc/32/00/25/512320025.db2.gz LQORCQNQOCMVNJ-UHFFFAOYSA-N 1 0 358.360 2.633 20 10 FFCDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000079497006 507968484 /nfs/dbraw/zinc/96/84/84/507968484.db2.gz UPNVJJNXTLNPQN-INIZCTEOSA-N 1 0 353.466 2.980 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101647650 508251697 /nfs/dbraw/zinc/25/16/97/508251697.db2.gz FCQODBLWTXYYHV-XHSDSOJGSA-N 1 0 363.477 2.540 20 10 FFCDRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127602530 508474562 /nfs/dbraw/zinc/47/45/62/508474562.db2.gz HJXMWHQCVZHQME-LFPIHBKWSA-N 1 0 356.507 2.860 20 10 FFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160045043 508929867 /nfs/dbraw/zinc/92/98/67/508929867.db2.gz KPDHKEPHODHQNZ-GJZGRUSLSA-N 1 0 364.486 2.926 20 10 FFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160044778 508929954 /nfs/dbraw/zinc/92/99/54/508929954.db2.gz KPDHKEPHODHQNZ-LSDHHAIUSA-N 1 0 364.486 2.926 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000131682579 508959468 /nfs/dbraw/zinc/95/94/68/508959468.db2.gz MAYHJVUXEMDWLD-BIENSFFJSA-N 1 0 359.426 2.703 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132187571 509003484 /nfs/dbraw/zinc/00/34/84/509003484.db2.gz PCJGKJYOGDCWTO-QFBILLFUSA-N 1 0 358.457 2.917 20 10 FFCDRO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000176183747 509364907 /nfs/dbraw/zinc/36/49/07/509364907.db2.gz IHQCIHSJGOUREU-MRXNPFEDSA-N 1 0 374.485 2.807 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000186050395 509499897 /nfs/dbraw/zinc/49/98/97/509499897.db2.gz JMGADFDYKRUPIS-FZKQIMNGSA-N 1 0 358.413 2.992 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000236918526 509534177 /nfs/dbraw/zinc/53/41/77/509534177.db2.gz JWCZYRYPJZKWIT-CQSZACIVSA-N 1 0 367.287 2.893 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1OC ZINC000179616419 509538019 /nfs/dbraw/zinc/53/80/19/509538019.db2.gz OMOHALKEFUTYJY-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000186375004 509677890 /nfs/dbraw/zinc/67/78/90/509677890.db2.gz CJRTUTFOKYELDC-AAEUAGOBSA-N 1 0 372.259 2.727 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(OC)c1O ZINC000264761703 509688745 /nfs/dbraw/zinc/68/87/45/509688745.db2.gz CGZBMSVFOFVKFF-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(OC)c(OC)cc1O)n2C ZINC000186553817 509767576 /nfs/dbraw/zinc/76/75/76/509767576.db2.gz DXDRBVMAYIVBMP-UHFFFAOYSA-N 1 0 357.410 2.595 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)cc1 ZINC000268135378 509774445 /nfs/dbraw/zinc/77/44/45/509774445.db2.gz PJBNKAKIAOIFGY-UHFFFAOYSA-N 1 0 359.495 2.781 20 10 FFCDRO O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2O)cc1)N1CCCCC1 ZINC000238107013 509821384 /nfs/dbraw/zinc/82/13/84/509821384.db2.gz VRHDHXGBHCBFPP-UHFFFAOYSA-N 1 0 360.479 2.857 20 10 FFCDRO CCCO[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000170989265 509878165 /nfs/dbraw/zinc/87/81/65/509878165.db2.gz DVOWVEFNTDLWFC-FQEVSTJZSA-N 1 0 361.530 2.992 20 10 FFCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000183714494 509941285 /nfs/dbraw/zinc/94/12/85/509941285.db2.gz IWMJOBPYZNWCNP-AWEZNQCLSA-N 1 0 366.477 2.997 20 10 FFCDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180703137 510061621 /nfs/dbraw/zinc/06/16/21/510061621.db2.gz BDOVNSLNYHOZOC-CSKARUKUSA-N 1 0 358.413 2.841 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268987733 510177022 /nfs/dbraw/zinc/17/70/22/510177022.db2.gz QNRZRSHMOBABIH-DNVCBOLYSA-N 1 0 367.534 2.750 20 10 FFCDRO COc1cccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1O ZINC000174989258 510423015 /nfs/dbraw/zinc/42/30/15/510423015.db2.gz OGKMMONHQGMVEL-UHFFFAOYSA-N 1 0 361.417 2.601 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1O ZINC000184702983 510472774 /nfs/dbraw/zinc/47/27/74/510472774.db2.gz BQZQMMCIZRUQNE-YVEFUNNKSA-N 1 0 365.861 2.733 20 10 FFCDRO COC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000181645976 510520100 /nfs/dbraw/zinc/52/01/00/510520100.db2.gz WIOPIAUILRFDAP-HXUWFJFHSA-N 1 0 355.482 2.688 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)ccc1OC ZINC000269940488 510609562 /nfs/dbraw/zinc/60/95/62/510609562.db2.gz OXJVRUFMHBYTOE-PMACEKPBSA-N 1 0 359.466 2.806 20 10 FFCDRO COc1cccc(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1O ZINC000175768971 510782580 /nfs/dbraw/zinc/78/25/80/510782580.db2.gz MQWXCGLRISSUTI-UHFFFAOYSA-N 1 0 363.502 2.958 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263691694 510793880 /nfs/dbraw/zinc/79/38/80/510793880.db2.gz PXCSOGIRFZEPGV-KSZLIROESA-N 1 0 373.541 2.773 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1O ZINC000182185105 510802180 /nfs/dbraw/zinc/80/21/80/510802180.db2.gz CZBCYHFUBOGRRH-HXUWFJFHSA-N 1 0 372.440 2.897 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000185339686 510813168 /nfs/dbraw/zinc/81/31/68/510813168.db2.gz AXIDYSNQUYYRPO-OAHLLOKOSA-N 1 0 368.481 2.648 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)c(O)c1 ZINC000185339841 510813559 /nfs/dbraw/zinc/81/35/59/510813559.db2.gz YCORAQNGXGJJEH-OAHLLOKOSA-N 1 0 368.481 2.648 20 10 FFCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCS1(=O)=O ZINC000293953866 510910155 /nfs/dbraw/zinc/91/01/55/510910155.db2.gz PHIMDUAGHRVJST-KSSFIOAISA-N 1 0 361.463 2.636 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000275846002 510919227 /nfs/dbraw/zinc/91/92/27/510919227.db2.gz QWJWDQHPWLNLRL-YOEHRIQHSA-N 1 0 367.471 2.628 20 10 FFCDRO CN(C)S(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000294008461 510927004 /nfs/dbraw/zinc/92/70/04/510927004.db2.gz DDXFBRXETLUXNZ-GOSISDBHSA-N 1 0 362.495 2.547 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1 ZINC000277198895 510956793 /nfs/dbraw/zinc/95/67/93/510956793.db2.gz JJHKBAKYECNIAS-AWEZNQCLSA-N 1 0 354.516 2.944 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364590328 510957591 /nfs/dbraw/zinc/95/75/91/510957591.db2.gz RJFGBOVEINXUPF-XJKSGUPXSA-N 1 0 353.260 2.503 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297689210 511035131 /nfs/dbraw/zinc/03/51/31/511035131.db2.gz LVBOQEOVHQTAAG-DYVFJYSZSA-N 1 0 360.479 2.981 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000282663694 511065275 /nfs/dbraw/zinc/06/52/75/511065275.db2.gz IRSIEKNWKDNVRA-ZDUSSCGKSA-N 1 0 369.433 2.979 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1OC ZINC000271092811 511080841 /nfs/dbraw/zinc/08/08/41/511080841.db2.gz LNSYXNYRKGHKRA-UHFFFAOYSA-N 1 0 362.470 2.776 20 10 FFCDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)cn1 ZINC000282815364 511120757 /nfs/dbraw/zinc/12/07/57/511120757.db2.gz RNCAJWJKZNXLMX-NSHDSACASA-N 1 0 354.248 2.848 20 10 FFCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000290231882 511130706 /nfs/dbraw/zinc/13/07/06/511130706.db2.gz IQZSXECTCIBSOD-XQAUZQBESA-N 1 0 372.440 2.808 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](CC)c2ccccc2O)CC1 ZINC000294764411 511170671 /nfs/dbraw/zinc/17/06/71/511170671.db2.gz JLQLJPQKWHIAPF-OYLFLEFRSA-N 1 0 353.484 2.620 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000294782973 511176775 /nfs/dbraw/zinc/17/67/75/511176775.db2.gz CUIKHIDSBOSDOG-CQSZACIVSA-N 1 0 350.434 2.965 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NCC(C)(C)N2CCOCC2)C2CC2)cc1 ZINC000298884858 511442180 /nfs/dbraw/zinc/44/21/80/511442180.db2.gz RZRLSERVSMGRNJ-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272165664 511452273 /nfs/dbraw/zinc/45/22/73/511452273.db2.gz VZRAMXHIUOOEQO-MLGOLLRUSA-N 1 0 356.392 2.587 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OCC(=O)N(C)C ZINC000272889427 511510776 /nfs/dbraw/zinc/51/07/76/511510776.db2.gz SIAOSDWNTXTYLA-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000273153050 511519248 /nfs/dbraw/zinc/51/92/48/511519248.db2.gz MGSPHCNYSKDZFW-MRXNPFEDSA-N 1 0 364.423 2.815 20 10 FFCDRO COCC1(O)CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000273349924 511523632 /nfs/dbraw/zinc/52/36/32/511523632.db2.gz BUTLBVPWKHPDDU-UHFFFAOYSA-N 1 0 357.450 2.945 20 10 FFCDRO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1C ZINC000295899802 511550075 /nfs/dbraw/zinc/55/00/75/511550075.db2.gz FCHDNZCKPVSIKB-OXJNMPFZSA-N 1 0 360.498 2.933 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000280809257 511611255 /nfs/dbraw/zinc/61/12/55/511611255.db2.gz JBJBAUCEAYOAEO-RWMBFGLXSA-N 1 0 358.276 2.759 20 10 FFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296135476 511631418 /nfs/dbraw/zinc/63/14/18/511631418.db2.gz VYOIROYCOTYAIT-IBGZPJMESA-N 1 0 360.477 2.798 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3nc[nH]n3)no2)C1 ZINC000350196688 511741979 /nfs/dbraw/zinc/74/19/79/511741979.db2.gz LKSGQARUHCQEIY-UHFFFAOYSA-N 1 0 363.425 2.624 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccc(C)cc2O)CC1 ZINC000296510651 511773856 /nfs/dbraw/zinc/77/38/56/511773856.db2.gz PMOVRIZMQPSQKF-SHACYNPGSA-N 1 0 353.484 2.538 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)cc1C ZINC000284567025 511774755 /nfs/dbraw/zinc/77/47/55/511774755.db2.gz ORTGJLOBNWLPAI-DYESRHJHSA-N 1 0 368.481 2.721 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc2c(cc1O)CCCC2 ZINC000363858877 511812821 /nfs/dbraw/zinc/81/28/21/511812821.db2.gz RQKWXMXITUIDOD-UYTHQXMGSA-N 1 0 371.481 2.642 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(Cc3ccccc3F)CC1)OCO2 ZINC000369683413 512552183 /nfs/dbraw/zinc/55/21/83/512552183.db2.gz LFBKWGOAVCWDNF-UHFFFAOYSA-N 1 0 359.397 2.830 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000372281910 512794828 /nfs/dbraw/zinc/79/48/28/512794828.db2.gz KRJQBLSZXLXZPD-KBPBESRZSA-N 1 0 357.834 2.597 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000423224976 514085006 /nfs/dbraw/zinc/08/50/06/514085006.db2.gz KTWSZNZCVBZEML-UHFFFAOYSA-N 1 0 358.438 2.751 20 10 FFCDRO CO[C@@H](C)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000461268075 514555662 /nfs/dbraw/zinc/55/56/62/514555662.db2.gz DLZLDVMVCFWMJY-CVEARBPZSA-N 1 0 357.498 2.947 20 10 FFCDRO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)no1 ZINC000562467467 517127908 /nfs/dbraw/zinc/12/79/08/517127908.db2.gz XZRIILVWOOMIAO-UHFFFAOYSA-N 1 0 352.438 2.765 20 10 FFCDRO CCOc1cccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000527761345 517898936 /nfs/dbraw/zinc/89/89/36/517898936.db2.gz CROFVHPGCMLLHK-UHFFFAOYSA-N 1 0 357.454 2.694 20 10 FFCDRO Cc1cc(NC(=O)c2ccc(C3=S=CC=C3)o2)n(C2CC[NH+](C)CC2)n1 ZINC000543102618 517910153 /nfs/dbraw/zinc/91/01/53/517910153.db2.gz ODLOVOWJRYREGP-UHFFFAOYSA-N 1 0 370.478 2.929 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC3(COC3)C2)C1 ZINC000620289619 522168074 /nfs/dbraw/zinc/16/80/74/522168074.db2.gz YKEFSGMUHYNOTI-UHFFFAOYSA-N 1 0 367.493 2.657 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)ccc21 ZINC000621700475 523027489 /nfs/dbraw/zinc/02/74/89/523027489.db2.gz PMJUGOHXOOKLLP-DYESRHJHSA-N 1 0 355.482 2.858 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000821831792 606215955 /nfs/dbraw/zinc/21/59/55/606215955.db2.gz MQCBDMXNMOSFTB-UHFFFAOYSA-N 1 0 370.482 2.695 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@H]1CCCO1 ZINC000826511372 608499154 /nfs/dbraw/zinc/49/91/54/608499154.db2.gz MWASNTIZJPPQAE-CQSZACIVSA-N 1 0 371.466 2.815 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)cc1F ZINC000898053304 735307760 /nfs/dbraw/zinc/30/77/60/735307760.db2.gz XGSAUWKKTRVRQI-GOSISDBHSA-N 1 0 350.413 2.560 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(Cl)c1 ZINC000898367496 735348077 /nfs/dbraw/zinc/34/80/77/735348077.db2.gz DXOZGTNUWDIGEF-JTQLQIEISA-N 1 0 369.252 2.872 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@H](CF)C2)[NH+](C)C)cc1 ZINC000899098025 735446935 /nfs/dbraw/zinc/44/69/35/735446935.db2.gz KQTULNLVLZWYPR-CRAIPNDOSA-N 1 0 350.482 2.746 20 10 FFCDRO CCc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000044554375 727988155 /nfs/dbraw/zinc/98/81/55/727988155.db2.gz XYLHNAXYLBYHEV-UHFFFAOYSA-N 1 0 368.543 2.719 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1C ZINC000092614452 728469442 /nfs/dbraw/zinc/46/94/42/728469442.db2.gz WKESURFSOVVPOH-UHFFFAOYSA-N 1 0 350.413 2.918 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[N@H+](C)C1CC1 ZINC000105152305 728504496 /nfs/dbraw/zinc/50/44/96/728504496.db2.gz BSHFSJMFRKUIBO-HNNXBMFYSA-N 1 0 362.543 2.522 20 10 FFCDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000129759395 728713057 /nfs/dbraw/zinc/71/30/57/728713057.db2.gz ITHNMHJXSWOVGO-INIZCTEOSA-N 1 0 365.543 2.752 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000177994687 729151535 /nfs/dbraw/zinc/15/15/35/729151535.db2.gz KDJQJBBUPKJEDP-INIZCTEOSA-N 1 0 361.511 2.690 20 10 FFCDRO CCC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179638645 729190917 /nfs/dbraw/zinc/19/09/17/729190917.db2.gz DRJLXQORVOQSQH-CYBMUJFWSA-N 1 0 362.289 2.554 20 10 FFCDRO CCN(CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)S(C)(=O)=O ZINC000185089257 729341047 /nfs/dbraw/zinc/34/10/47/729341047.db2.gz QZXRHOXXMVXTPV-AWEZNQCLSA-N 1 0 354.516 2.593 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1F ZINC000185369558 729347908 /nfs/dbraw/zinc/34/79/08/729347908.db2.gz CLAVMJQDXOHRGR-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188730156 729391166 /nfs/dbraw/zinc/39/11/66/729391166.db2.gz VBZJMKVIYVLTFA-UHFFFAOYSA-N 1 0 364.559 2.723 20 10 FFCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccc(Br)cc1 ZINC000262057216 729658108 /nfs/dbraw/zinc/65/81/08/729658108.db2.gz XWCDXMSWGBQOCX-UHFFFAOYSA-N 1 0 362.271 2.806 20 10 FFCDRO CC(C)[C@H](C[NH2+]Cc1c(O)cccc1Br)N1CCOCC1 ZINC000858090722 730416273 /nfs/dbraw/zinc/41/62/73/730416273.db2.gz QKQXYGROIIONJD-HNNXBMFYSA-N 1 0 357.292 2.601 20 10 FFCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2c(O)cccc2Br)C1(C)C ZINC000858158286 730418209 /nfs/dbraw/zinc/41/82/09/730418209.db2.gz DPSUXIKRFBLZGK-GOEBONIOSA-N 1 0 358.276 2.810 20 10 FFCDRO O=[S@@](CC[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000858186700 730419104 /nfs/dbraw/zinc/41/91/04/730419104.db2.gz JHPQKBNPJDQVGH-IBGZPJMESA-N 1 0 360.195 2.555 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000861674273 730633535 /nfs/dbraw/zinc/63/35/35/730633535.db2.gz NGCLVSBETDTTSS-UONOGXRCSA-N 1 0 370.291 2.827 20 10 FFCDRO CCCN(Cc1c(O)cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000862213710 730676680 /nfs/dbraw/zinc/67/66/80/730676680.db2.gz TUUPEXAZCIJMAQ-LLVKDONJSA-N 1 0 362.289 2.554 20 10 FFCDRO CCCN(Cc1c(O)cccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000862213711 730676773 /nfs/dbraw/zinc/67/67/73/730676773.db2.gz TUUPEXAZCIJMAQ-NSHDSACASA-N 1 0 362.289 2.554 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000862347532 730690549 /nfs/dbraw/zinc/69/05/49/730690549.db2.gz FMDNZRMAUPKJQX-HNNXBMFYSA-N 1 0 366.259 2.823 20 10 FFCDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862402764 730697741 /nfs/dbraw/zinc/69/77/41/730697741.db2.gz RGSOJZJWZBHYAH-HNNXBMFYSA-N 1 0 367.287 2.891 20 10 FFCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(OC)c(OC)cc1O ZINC000862468958 730704158 /nfs/dbraw/zinc/70/41/58/730704158.db2.gz UOUJIBDNRHHDCV-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863652831 730799198 /nfs/dbraw/zinc/79/91/98/730799198.db2.gz WAUOXPYZPPGTCE-IYBDPMFKSA-N 1 0 355.276 2.595 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(Br)cc1O ZINC000866412662 731057310 /nfs/dbraw/zinc/05/73/10/731057310.db2.gz LSJXGLZDCPDETO-AAEUAGOBSA-N 1 0 357.292 2.651 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866463591 731063238 /nfs/dbraw/zinc/06/32/38/731063238.db2.gz BXKMNTZIDAIAQG-PGUXBMHVSA-N 1 0 350.356 2.625 20 10 FFCDRO C[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O ZINC000866527072 731070878 /nfs/dbraw/zinc/07/08/78/731070878.db2.gz UCBVGARJEGEPNX-ZDUSSCGKSA-N 1 0 352.450 2.988 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)CCc2cnccn2)c1O ZINC000780895638 738586308 /nfs/dbraw/zinc/58/63/08/738586308.db2.gz YTVIZRDWQQCART-UHFFFAOYSA-N 1 0 352.232 2.628 20 10 FFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(S(N)(=O)=O)cc1F ZINC000876522606 732254519 /nfs/dbraw/zinc/25/45/19/732254519.db2.gz WVAOOAHWZUNFRU-UHFFFAOYSA-N 1 0 365.474 2.561 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCOc3ncccc3Cl)cc2)CC1 ZINC000877085928 732322421 /nfs/dbraw/zinc/32/24/21/732322421.db2.gz SSBQOLVFKZTVBR-UHFFFAOYSA-N 1 0 361.873 2.865 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1O ZINC000877675205 732409933 /nfs/dbraw/zinc/40/99/33/732409933.db2.gz OYYLLLQRNZIGIH-LLVKDONJSA-N 1 0 350.728 2.539 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Br)ccc1O ZINC000926954260 738672814 /nfs/dbraw/zinc/67/28/14/738672814.db2.gz SPPWHEZEBOEYJJ-SNVBAGLBSA-N 1 0 364.305 2.876 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3scnc3C3CC3)cc2)CC1 ZINC000881852618 733120800 /nfs/dbraw/zinc/12/08/00/733120800.db2.gz YGDKJGULPQOWMB-UHFFFAOYSA-N 1 0 356.495 2.702 20 10 FFCDRO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886751025 733825217 /nfs/dbraw/zinc/82/52/17/733825217.db2.gz FNUQLVSQEJUBIU-AWEZNQCLSA-N 1 0 353.507 2.569 20 10 FFCDRO Cc1ncc(/C=C\C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248505 734404558 /nfs/dbraw/zinc/40/45/58/734404558.db2.gz XMHSUCIGQXCMAH-RXQFDZFGSA-N 1 0 358.511 2.950 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1F ZINC000891457040 734431450 /nfs/dbraw/zinc/43/14/50/734431450.db2.gz UXHHQIKIRLCMEG-IBGZPJMESA-N 1 0 350.482 2.798 20 10 FFCDRO Cc1nc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891687629 734461787 /nfs/dbraw/zinc/46/17/87/734461787.db2.gz ZKENPQWVBOTYFW-QGZVFWFLSA-N 1 0 361.515 2.620 20 10 FFCDRO CCC[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730111779 734616826 /nfs/dbraw/zinc/61/68/26/734616826.db2.gz NPCGIRAGJDXVEZ-HNNXBMFYSA-N 1 0 350.482 2.955 20 10 FFCDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732799523 734766030 /nfs/dbraw/zinc/76/60/30/734766030.db2.gz URYGSPQFIPTPLV-CQSZACIVSA-N 1 0 353.344 2.535 20 10 FFCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000893908849 734770739 /nfs/dbraw/zinc/77/07/39/734770739.db2.gz DOLIVLGOBRLJTP-ZDUSSCGKSA-N 1 0 364.467 2.550 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCCS(=O)(=O)Cc2ccccc2)c1O ZINC000894187873 734815134 /nfs/dbraw/zinc/81/51/34/734815134.db2.gz VNIFEVXIVCFVRT-UHFFFAOYSA-N 1 0 363.479 2.804 20 10 FFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894395253 734851334 /nfs/dbraw/zinc/85/13/34/734851334.db2.gz BGRANZNPVIGTPZ-AWEZNQCLSA-N 1 0 352.431 2.510 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c(O)c1OC ZINC000894682335 734900355 /nfs/dbraw/zinc/90/03/55/734900355.db2.gz ZGZBMBSYYPVXQL-CYBMUJFWSA-N 1 0 350.459 2.523 20 10 FFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H]1CCCOC1 ZINC000895853323 735064658 /nfs/dbraw/zinc/06/46/58/735064658.db2.gz DZKNJUAIXRDPPW-IUODEOHRSA-N 1 0 358.276 2.994 20 10 FFCDRO C[C@]1([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)COC(=O)N1 ZINC000896395420 735152882 /nfs/dbraw/zinc/15/28/82/735152882.db2.gz IRXFJTCPLAPVIT-MLGOLLRUSA-N 1 0 369.259 2.865 20 10 FFCDRO C[C@@]1([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)COC(=O)N1 ZINC000896396767 735153122 /nfs/dbraw/zinc/15/31/22/735153122.db2.gz KYWMLQUDYLPPET-ZBEGNZNMSA-N 1 0 369.259 2.865 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000896956258 735189347 /nfs/dbraw/zinc/18/93/47/735189347.db2.gz SDGMTJGNYDOMOW-AGUYFDCRSA-N 1 0 374.300 2.661 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000897526309 735243137 /nfs/dbraw/zinc/24/31/37/735243137.db2.gz ZFBVLTFMVVQEBW-LJQANCHMSA-N 1 0 361.511 2.871 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000897572161 735250066 /nfs/dbraw/zinc/25/00/66/735250066.db2.gz MBKFTURUDIIMEX-UHFFFAOYSA-N 1 0 360.479 2.728 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)CCOCC1 ZINC000897737301 735271198 /nfs/dbraw/zinc/27/11/98/735271198.db2.gz OENSCZUVIULNKS-AWEZNQCLSA-N 1 0 351.443 2.547 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000897746156 735272788 /nfs/dbraw/zinc/27/27/88/735272788.db2.gz YQDFOPKOTUHXEK-AWEZNQCLSA-N 1 0 352.450 2.730 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cncc(F)c2Cl)[NH+](C)C)cc1 ZINC000900861322 735708205 /nfs/dbraw/zinc/70/82/05/735708205.db2.gz AFBBVQNQPBLJJT-INIZCTEOSA-N 1 0 364.852 2.973 20 10 FFCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)nn1 ZINC000902785968 735991807 /nfs/dbraw/zinc/99/18/07/735991807.db2.gz JUFXKZYFAOFQSD-LBPRGKRZSA-N 1 0 351.401 2.736 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1O ZINC000903212699 736056409 /nfs/dbraw/zinc/05/64/09/736056409.db2.gz JWMSBWSUXATPTC-NEPJUHHUSA-N 1 0 355.276 2.982 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CC2(O)CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000903373384 736084797 /nfs/dbraw/zinc/08/47/97/736084797.db2.gz VEWHRGKFYRNXCY-OCCSQVGLSA-N 1 0 351.418 2.717 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903534873 736109417 /nfs/dbraw/zinc/10/94/17/736109417.db2.gz UIPIBLOOCXKYAJ-CHWSQXEVSA-N 1 0 350.768 2.960 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)COC2CCOCC2)cc1 ZINC000755892368 736286629 /nfs/dbraw/zinc/28/66/29/736286629.db2.gz GFTJMXMYDFFQNB-IBGZPJMESA-N 1 0 350.503 2.521 20 10 FFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551683 736341638 /nfs/dbraw/zinc/34/16/38/736341638.db2.gz WMPKBGGYFRDXBY-NEPJUHHUSA-N 1 0 374.312 2.937 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(Br)cc1O ZINC000756732056 736356383 /nfs/dbraw/zinc/35/63/83/736356383.db2.gz LNMHXAWQGQHAPO-IQOUGMIPSA-N 1 0 353.260 2.815 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1O ZINC000757659107 736417034 /nfs/dbraw/zinc/41/70/34/736417034.db2.gz YSDCBOJIKPEKDF-IUODEOHRSA-N 1 0 362.861 2.621 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)CS(C)(=O)=O ZINC000757842404 736430529 /nfs/dbraw/zinc/43/05/29/736430529.db2.gz QRDDOTNDWGZNNB-LLVKDONJSA-N 1 0 364.305 2.657 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000758056567 736448991 /nfs/dbraw/zinc/44/89/91/736448991.db2.gz NEWWRHFJBPXDRU-UHFFFAOYSA-N 1 0 367.559 2.684 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000760016085 736610169 /nfs/dbraw/zinc/61/01/69/736610169.db2.gz KOUVJWNYRXBWJY-OAHLLOKOSA-N 1 0 363.479 2.972 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907758721 736664386 /nfs/dbraw/zinc/66/43/86/736664386.db2.gz SROYDECYMFJCNZ-OCCSQVGLSA-N 1 0 353.260 2.788 20 10 FFCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000761199422 736706547 /nfs/dbraw/zinc/70/65/47/736706547.db2.gz OGSYYXOBOZPGSQ-LLVKDONJSA-N 1 0 366.767 2.649 20 10 FFCDRO Fc1cc(C[NH2+]CCOCC(F)(F)C(F)F)ccc1N1CCOCC1 ZINC000766225425 737210264 /nfs/dbraw/zinc/21/02/64/737210264.db2.gz PSOLQWGKRSYZDA-UHFFFAOYSA-N 1 0 368.346 2.669 20 10 FFCDRO CC(C)CNC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768293941 737412042 /nfs/dbraw/zinc/41/20/42/737412042.db2.gz FADCBWPTGOYRLW-UHFFFAOYSA-N 1 0 360.571 2.839 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769415577 737525980 /nfs/dbraw/zinc/52/59/80/737525980.db2.gz VWCAMFMPMDRNTA-CQSZACIVSA-N 1 0 356.260 2.973 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000769946440 737586330 /nfs/dbraw/zinc/58/63/30/737586330.db2.gz WTKLAZIIKPUQLT-CQSZACIVSA-N 1 0 370.335 2.579 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000917014326 737736265 /nfs/dbraw/zinc/73/62/65/737736265.db2.gz SJINVAFWRVQCGV-WOJBJXKFSA-N 1 0 350.503 2.520 20 10 FFCDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921538221 737999017 /nfs/dbraw/zinc/99/90/17/737999017.db2.gz ALBYJFRNKPVSMM-UHFFFAOYSA-N 1 0 360.479 2.552 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000775257328 738076804 /nfs/dbraw/zinc/07/68/04/738076804.db2.gz HGZXGYRBMDPZLE-OAHLLOKOSA-N 1 0 359.495 2.552 20 10 FFCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000775522603 738098911 /nfs/dbraw/zinc/09/89/11/738098911.db2.gz VNJQYXHQZVDBFN-PJODQICGSA-N 1 0 357.292 2.915 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1O ZINC000775537522 738100347 /nfs/dbraw/zinc/10/03/47/738100347.db2.gz ZWVRCUVHOAHLTD-CDNVCLAFSA-N 1 0 365.861 2.807 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776520157 738202386 /nfs/dbraw/zinc/20/23/86/738202386.db2.gz IMLLCTJTPFIFAG-INIZCTEOSA-N 1 0 374.275 2.645 20 10 FFCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1C(F)(F)F ZINC000922985016 738227215 /nfs/dbraw/zinc/22/72/15/738227215.db2.gz QMMNJUZAISSLPZ-ZDUSSCGKSA-N 1 0 355.312 2.963 20 10 FFCDRO COc1ccc(N2CC[NH+](CCOC3CCSCC3)CC2)cc1F ZINC000929824682 739025943 /nfs/dbraw/zinc/02/59/43/739025943.db2.gz XVEFNDFOYZYLAE-UHFFFAOYSA-N 1 0 354.491 2.869 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000794704397 739921244 /nfs/dbraw/zinc/92/12/44/739921244.db2.gz PKUWMWOQWFJZNM-UHFFFAOYSA-N 1 0 351.443 2.501 20 10 FFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000795689155 740052400 /nfs/dbraw/zinc/05/24/00/740052400.db2.gz QKSJTQXBDCRIOL-MRXNPFEDSA-N 1 0 354.328 2.868 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000796377532 740138227 /nfs/dbraw/zinc/13/82/27/740138227.db2.gz MIMSEWPCTLYQNQ-WBMJQRKESA-N 1 0 352.862 2.543 20 10 FFCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796526672 740149738 /nfs/dbraw/zinc/14/97/38/740149738.db2.gz PPFRPNLLPSEIOO-RUZDIDTESA-N 1 0 358.507 2.692 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000797070258 740209249 /nfs/dbraw/zinc/20/92/49/740209249.db2.gz KAHNSIWKTLWNPK-NXEZZACHSA-N 1 0 362.289 2.771 20 10 FFCDRO Cc1cccc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1O ZINC000798958102 740377482 /nfs/dbraw/zinc/37/74/82/740377482.db2.gz MUECEVYIXVQJBL-UHFFFAOYSA-N 1 0 368.886 2.812 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1O ZINC000799726641 740445617 /nfs/dbraw/zinc/44/56/17/740445617.db2.gz QVZLUFQDBMBLKA-LLVKDONJSA-N 1 0 372.849 2.814 20 10 FFCDRO CCCC[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccccc1O ZINC000801597661 740635584 /nfs/dbraw/zinc/63/55/84/740635584.db2.gz LVGJGQRBYXFFOF-UHFFFAOYSA-N 1 0 362.495 2.973 20 10 FFCDRO C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)[NH+]1CCCCC1 ZINC000805182210 740947888 /nfs/dbraw/zinc/94/78/88/740947888.db2.gz DXFOVCDBGULIFJ-LBPRGKRZSA-N 1 0 370.291 2.828 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000806663383 741079232 /nfs/dbraw/zinc/07/92/32/741079232.db2.gz QHZQVMCVPVLTRH-CABZTGNLSA-N 1 0 361.305 2.673 20 10 FFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000806959293 741098439 /nfs/dbraw/zinc/09/84/39/741098439.db2.gz SWIAZEFVQZOCKO-UONOGXRCSA-N 1 0 354.545 2.894 20 10 FFCDRO C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809695906 741332552 /nfs/dbraw/zinc/33/25/52/741332552.db2.gz AQLZPHJIWNVIMJ-YOEHRIQHSA-N 1 0 357.420 2.590 20 10 FFCDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000809713199 741336116 /nfs/dbraw/zinc/33/61/16/741336116.db2.gz DDNAYLCTASTDAU-UHFFFAOYSA-N 1 0 372.849 2.561 20 10 FFCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000809723202 741336770 /nfs/dbraw/zinc/33/67/70/741336770.db2.gz RIYIPTVXDZZJJV-CQSZACIVSA-N 1 0 350.415 2.564 20 10 FFCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000809778841 741342688 /nfs/dbraw/zinc/34/26/88/741342688.db2.gz WTCAAKMRWLDGTG-CYBMUJFWSA-N 1 0 355.276 2.893 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000809785015 741343362 /nfs/dbraw/zinc/34/33/62/741343362.db2.gz QLLONBZZSJARFJ-AWEZNQCLSA-N 1 0 363.449 2.729 20 10 FFCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000810237870 741400293 /nfs/dbraw/zinc/40/02/93/741400293.db2.gz FRUYYOMSVHLTGL-GFCCVEGCSA-N 1 0 356.348 2.774 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(O)c1 ZINC000811515080 741532694 /nfs/dbraw/zinc/53/26/94/741532694.db2.gz VEMQZWQZOAFPMF-LBPRGKRZSA-N 1 0 360.376 2.681 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c(O)c1 ZINC000815566811 741945742 /nfs/dbraw/zinc/94/57/42/741945742.db2.gz GJHDZFJAZVQXMT-MRXNPFEDSA-N 1 0 362.495 2.779 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000816657413 742051657 /nfs/dbraw/zinc/05/16/57/742051657.db2.gz REMZELMVPSIVJJ-KRWDZBQOSA-N 1 0 355.862 2.712 20 10 FFCDRO Cc1c(Cl)c(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)nn1C ZINC000817707822 742200192 /nfs/dbraw/zinc/20/01/92/742200192.db2.gz OTLKFOQRBYVPPF-WQLSENKSSA-N 1 0 370.931 2.677 20 10 FFCDRO COc1nccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855293 742990668 /nfs/dbraw/zinc/99/06/68/742990668.db2.gz MHCMYUAVUADOJK-MRXNPFEDSA-N 1 0 362.861 2.598 20 10 FFCDRO COc1nccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855292 742991033 /nfs/dbraw/zinc/99/10/33/742991033.db2.gz MHCMYUAVUADOJK-INIZCTEOSA-N 1 0 362.861 2.598 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c(C(F)(F)F)c1 ZINC000824501390 743093095 /nfs/dbraw/zinc/09/30/95/743093095.db2.gz JSOPITALFGEONB-IRXDYDNUSA-N 1 0 357.420 2.676 20 10 FFCDRO Oc1cc(Br)ccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000824556495 743104388 /nfs/dbraw/zinc/10/43/88/743104388.db2.gz VXIIOAQPVAGDEW-MRXNPFEDSA-N 1 0 369.303 2.841 20 10 FFCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000824809099 743153326 /nfs/dbraw/zinc/15/33/26/743153326.db2.gz QPKSUKMJLIWMEH-GFCCVEGCSA-N 1 0 350.768 2.949 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 ZINC000824820734 743154734 /nfs/dbraw/zinc/15/47/34/743154734.db2.gz LMRWLTVBSQXFOW-CABCVRRESA-N 1 0 355.404 2.595 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000825358251 743255677 /nfs/dbraw/zinc/25/56/77/743255677.db2.gz PLWQQHXERMENRP-JKSUJKDBSA-N 1 0 369.303 2.888 20 10 FFCDRO O=C(/C=C/[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827310533 743553078 /nfs/dbraw/zinc/55/30/78/743553078.db2.gz PKRBHWAWGQQVCV-GBLWAQSESA-N 1 0 364.873 2.719 20 10 FFCDRO C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)[NH+]1CCCCC1 ZINC000827473902 743584662 /nfs/dbraw/zinc/58/46/62/743584662.db2.gz MFFGKOPOYHVFBX-CQSZACIVSA-N 1 0 358.511 2.920 20 10 FFCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000827688053 744960688 /nfs/dbraw/zinc/96/06/88/744960688.db2.gz ZCCQFAVKAJVHJQ-ZDUSSCGKSA-N 1 0 355.276 2.891 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000829768804 745257661 /nfs/dbraw/zinc/25/76/61/745257661.db2.gz KEAGTFYYBAWPFR-INIZCTEOSA-N 1 0 358.511 2.920 20 10 FFCDRO [NH3+][C@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000830664620 745400473 /nfs/dbraw/zinc/40/04/73/745400473.db2.gz KUEPMFUCZSRWHL-CZUORRHYSA-N 1 0 353.413 2.500 20 10 FFCDRO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665267 745400936 /nfs/dbraw/zinc/40/09/36/745400936.db2.gz SEUVCSRQHJDYIS-KGLIPLIRSA-N 1 0 355.429 2.761 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000830798852 745432139 /nfs/dbraw/zinc/43/21/39/745432139.db2.gz RYIZAFYZFHCVIL-KBPBESRZSA-N 1 0 355.276 2.891 20 10 FFCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000832546150 745716843 /nfs/dbraw/zinc/71/68/43/745716843.db2.gz XWPISSQKYVCXMV-UHFFFAOYSA-N 1 0 367.921 2.754 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834850434 745914005 /nfs/dbraw/zinc/91/40/05/745914005.db2.gz MLDGNUCGVGNRPR-GXTWGEPZSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(Br)ccc1O ZINC000834850437 745914069 /nfs/dbraw/zinc/91/40/69/745914069.db2.gz MLDGNUCGVGNRPR-TZMCWYRMSA-N 1 0 357.292 2.652 20 10 FFCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834903526 745921891 /nfs/dbraw/zinc/92/18/91/745921891.db2.gz IPBDUSDCGORRRQ-FSPWUOQZSA-N 1 0 354.878 2.631 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000839175316 746794065 /nfs/dbraw/zinc/79/40/65/746794065.db2.gz VQRNAYRERHFUCP-OAHLLOKOSA-N 1 0 371.861 2.560 20 10 FFCDRO C[C@H](C[NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841049221 747260399 /nfs/dbraw/zinc/26/03/99/747260399.db2.gz OILSNZJYBFTBNR-SSDOTTSWSA-N 1 0 352.070 2.602 20 10 FFCDRO [NH3+][C@H](C[NH2+]Cc1cc(Br)cc(Br)c1[O-])C1CC1 ZINC000841048339 747260482 /nfs/dbraw/zinc/26/04/82/747260482.db2.gz CUFUQFWNMORSRN-LLVKDONJSA-N 1 0 364.081 2.744 20 10 FFCDRO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)C1 ZINC000841102870 747270015 /nfs/dbraw/zinc/27/00/15/747270015.db2.gz ANJVBDXAUPZILU-HOCLYGCPSA-N 1 0 369.303 2.873 20 10 FFCDRO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)C1 ZINC000841102869 747270126 /nfs/dbraw/zinc/27/01/26/747270126.db2.gz ANJVBDXAUPZILU-GOEBONIOSA-N 1 0 369.303 2.873 20 10 FFCDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCCSc3nccs3)cc2C1 ZINC000841326008 747317665 /nfs/dbraw/zinc/31/76/65/747317665.db2.gz UBSKCXQJHSSGOM-GFCCVEGCSA-N 1 0 363.512 2.658 20 10 FFCDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707562 747437687 /nfs/dbraw/zinc/43/76/87/747437687.db2.gz VUTMKAWBIUMAGE-INIZCTEOSA-N 1 0 350.532 2.557 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000841798418 747463023 /nfs/dbraw/zinc/46/30/23/747463023.db2.gz IQYKHYHHLFBLJN-ZBFHGGJFSA-N 1 0 350.482 2.941 20 10 FFCDRO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784722 747687349 /nfs/dbraw/zinc/68/73/49/747687349.db2.gz LGFVQZDRWCRSPE-MRXNPFEDSA-N 1 0 367.902 2.693 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843414485 747831634 /nfs/dbraw/zinc/83/16/34/747831634.db2.gz GHLSHJCHUMVRKU-CQSZACIVSA-N 1 0 363.259 2.940 20 10 FFCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844173039 747982989 /nfs/dbraw/zinc/98/29/89/747982989.db2.gz MOIKJSPHCNUZMW-OAHLLOKOSA-N 1 0 358.511 2.730 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000844173484 747983434 /nfs/dbraw/zinc/98/34/34/747983434.db2.gz FBMOZRQFYNZGIJ-UHOSZYNNSA-N 1 0 359.539 2.777 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000846205964 748429955 /nfs/dbraw/zinc/42/99/55/748429955.db2.gz LUURNXJTAUIEBD-WDEREUQCSA-N 1 0 353.260 2.816 20 10 FFCDRO O=C(CC[NH2+]C1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000848412397 748920813 /nfs/dbraw/zinc/92/08/13/748920813.db2.gz PYIWISZDJSPREY-UHFFFAOYSA-N 1 0 353.413 2.515 20 10 FFCDRO COCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848517484 748947761 /nfs/dbraw/zinc/94/77/61/748947761.db2.gz HOFPGKFWFNPNSB-NSHDSACASA-N 1 0 362.264 2.867 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000848546646 748956525 /nfs/dbraw/zinc/95/65/25/748956525.db2.gz FBIALLZNKWGKSA-APPZFPTMSA-N 1 0 354.191 2.830 20 10 FFCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCC1 ZINC000849111051 749054177 /nfs/dbraw/zinc/05/41/77/749054177.db2.gz GHICUFKJIBXGQO-UHFFFAOYSA-N 1 0 356.392 2.708 20 10 FFCDRO COc1cc(C[NH2+]CCN2CCOCC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000850118641 749305382 /nfs/dbraw/zinc/30/53/82/749305382.db2.gz KVZMAPSWJNVYGE-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO COc1cc(C[NH2+]CCN2CCC(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC000850179357 749317626 /nfs/dbraw/zinc/31/76/26/749317626.db2.gz YDNHPNXGAZHORO-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO C[C@@H](CSCCF)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000850426587 749363407 /nfs/dbraw/zinc/36/34/07/749363407.db2.gz WROPITCNFFWEOM-GOEBONIOSA-N 1 0 353.507 2.569 20 10 FFCDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000850487021 749372305 /nfs/dbraw/zinc/37/23/05/749372305.db2.gz XQBXQBDGGMXACR-GOEBONIOSA-N 1 0 356.894 2.879 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)cc2)CC1 ZINC000850507469 749378153 /nfs/dbraw/zinc/37/81/53/749378153.db2.gz OHADQUVLVBOMAX-VQTJNVASSA-N 1 0 362.539 2.980 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000851991513 749745296 /nfs/dbraw/zinc/74/52/96/749745296.db2.gz QCMXGAPSXLJADH-QGZVFWFLSA-N 1 0 362.543 2.523 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000385498784 845828323 /nfs/dbraw/zinc/82/83/23/845828323.db2.gz YVRFHQASAIDVIX-LSDHHAIUSA-N 1 0 350.459 2.987 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000397439497 845867883 /nfs/dbraw/zinc/86/78/83/845867883.db2.gz QSTBAPAUXADVTK-HUUCEWRRSA-N 1 0 350.459 2.987 20 10 FFCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813714 970979783 /nfs/dbraw/zinc/97/97/83/970979783.db2.gz MVACGSCDLBOFRH-UHFFFAOYSA-N 1 0 366.509 2.814 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)c(O)c1OC ZINC000895942401 971100280 /nfs/dbraw/zinc/10/02/80/971100280.db2.gz BEVXYOVHLFGEQK-MRXNPFEDSA-N 1 0 372.421 2.867 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001275837778 1013060469 /nfs/dbraw/zinc/06/04/69/1013060469.db2.gz MWYRCCCNKDRMRL-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cccc1Cl ZINC001275840808 1013070022 /nfs/dbraw/zinc/07/00/22/1013070022.db2.gz SCXRAIOAFKDOFO-IAGOWNOFSA-N 1 0 374.872 2.545 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1OC ZINC000896198930 971332255 /nfs/dbraw/zinc/33/22/55/971332255.db2.gz ZJCGIYITCHPDCI-TZMCWYRMSA-N 1 0 366.458 2.754 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)c1O ZINC000896445012 971495028 /nfs/dbraw/zinc/49/50/28/971495028.db2.gz MKTCIWYHOCLDPL-UHFFFAOYSA-N 1 0 352.434 2.858 20 10 FFCDRO CCCc1nc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)co1 ZINC000759829879 971768548 /nfs/dbraw/zinc/76/85/48/971768548.db2.gz BJPVLCNSETWTHY-UHFFFAOYSA-N 1 0 374.460 2.838 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275896025 1013156002 /nfs/dbraw/zinc/15/60/02/1013156002.db2.gz RRKGTAHITRUDRD-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)CN1C1COC1 ZINC001275896305 1013157664 /nfs/dbraw/zinc/15/76/64/1013157664.db2.gz XHZATKRWJWRPSA-UHFFFAOYSA-N 1 0 364.873 2.649 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1OC ZINC000872820164 1013269132 /nfs/dbraw/zinc/26/91/32/1013269132.db2.gz LONOWECUNXQQFM-INIZCTEOSA-N 1 0 372.421 2.867 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]cnc3c2F)[NH+](C)C)cc1 ZINC000891245574 962558789 /nfs/dbraw/zinc/55/87/89/962558789.db2.gz GTIMJQYJUJNWLR-QGZVFWFLSA-N 1 0 369.444 2.801 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncoc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891246668 962568320 /nfs/dbraw/zinc/56/83/20/962568320.db2.gz DQJSJGWJTIURLP-ZDUSSCGKSA-N 1 0 370.375 2.792 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3cccc(O)c32)[NH+](C)C)cc1 ZINC000891246916 962575274 /nfs/dbraw/zinc/57/52/74/962575274.db2.gz FIOKJCSZSGRPHM-OALUTQOASA-N 1 0 367.493 2.907 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nn(C)c3ccccc32)[NH+](C)C)cc1 ZINC000891247815 962579371 /nfs/dbraw/zinc/57/93/71/962579371.db2.gz VMQKONXDJPZXAV-IBGZPJMESA-N 1 0 365.481 2.672 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2[nH]cnc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891248948 962589134 /nfs/dbraw/zinc/58/91/34/962589134.db2.gz OZWJAOIPMQNGCK-CYBMUJFWSA-N 1 0 369.391 2.527 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccnc2)[NH+](C)C)cc1 ZINC000891250282 962596315 /nfs/dbraw/zinc/59/63/15/962596315.db2.gz WGINDXPBUNFRRO-ZCNNSNEGSA-N 1 0 352.482 2.670 20 10 FFCDRO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253355 962604673 /nfs/dbraw/zinc/60/46/73/962604673.db2.gz RMJHXUPTECHQRC-UGSOOPFHSA-N 1 0 357.502 2.615 20 10 FFCDRO Cc1cncc(/C=C\C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891252837 962606940 /nfs/dbraw/zinc/60/69/40/962606940.db2.gz OBAHBWOTRXVLDW-QLQLNADESA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc([S@](C)=O)cc2)[NH+](C)C)cc1 ZINC000891255981 962620294 /nfs/dbraw/zinc/62/02/94/962620294.db2.gz UPATWEXQIVLHEK-SIBVEZHUSA-N 1 0 373.522 2.523 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)COC3)[NH+](C)C)cc1 ZINC000891255490 962622097 /nfs/dbraw/zinc/62/20/97/962622097.db2.gz QJCYRKFOMUXTKI-FQEVSTJZSA-N 1 0 353.466 2.816 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)cc1Cn1cccn1 ZINC000873095042 1013383000 /nfs/dbraw/zinc/38/30/00/1013383000.db2.gz QNUNPPALRHNEIX-IBGZPJMESA-N 1 0 363.465 2.704 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(F)(F)F)cc[n+]3[O-])cc2)CC1 ZINC001167431298 963093832 /nfs/dbraw/zinc/09/38/32/963093832.db2.gz QWGKUOCOJDBTMP-UHFFFAOYSA-N 1 0 366.387 2.703 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1Cn1cccn1 ZINC000873132548 1013396590 /nfs/dbraw/zinc/39/65/90/1013396590.db2.gz XFBCIZKANNZRDG-MRXNPFEDSA-N 1 0 359.470 2.614 20 10 FFCDRO CC(C)Cn1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC001167436937 963265580 /nfs/dbraw/zinc/26/55/80/963265580.db2.gz HWQLRTHOSASQDO-UHFFFAOYSA-N 1 0 354.498 2.868 20 10 FFCDRO C[C@H](NC(=O)N(C)C1(C[NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000891440064 964053699 /nfs/dbraw/zinc/05/36/99/964053699.db2.gz DLGCMJAJBOARGE-KRWDZBQOSA-N 1 0 374.529 2.887 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(CCN(CC(F)F)C4=O)C3)ccc21 ZINC001276112053 1013474388 /nfs/dbraw/zinc/47/43/88/1013474388.db2.gz MWTJBEUFWWJREB-FQEVSTJZSA-N 1 0 363.452 2.759 20 10 FFCDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000892031410 965843685 /nfs/dbraw/zinc/84/36/85/965843685.db2.gz KMJBWHBZLTVKSU-OALUTQOASA-N 1 0 374.554 2.618 20 10 FFCDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000065698247 968245155 /nfs/dbraw/zinc/24/51/55/968245155.db2.gz ZUYPHHJDIJTLRG-KRWDZBQOSA-N 1 0 374.529 2.758 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1ccc(C[NH3+])cc1=N)N=[N+]=[N-] ZINC001167689996 969234466 /nfs/dbraw/zinc/23/44/66/969234466.db2.gz CGNHNGNLPADZPH-HSFPQDBWSA-N 1 0 367.413 2.642 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066185704 969287479 /nfs/dbraw/zinc/28/74/79/969287479.db2.gz GINCEOFWXXLMDX-IBGZPJMESA-N 1 0 374.554 2.620 20 10 FFCDRO CC[C@@H](C)C[N@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000177854449 969362900 /nfs/dbraw/zinc/36/29/00/969362900.db2.gz LVEMTLGSAAUORF-MRXNPFEDSA-N 1 0 365.493 2.647 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(O)c(OC)c3[N+](=O)[O-])C2)cc1 ZINC000895310330 970301244 /nfs/dbraw/zinc/30/12/44/970301244.db2.gz NGMGGENWMQRBRS-AWEZNQCLSA-N 1 0 373.409 2.686 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000840947884 974254119 /nfs/dbraw/zinc/25/41/19/974254119.db2.gz BDIOPBVIOWZHEZ-UHFFFAOYSA-N 1 0 368.481 2.598 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000653046171 1014215003 /nfs/dbraw/zinc/21/50/03/1014215003.db2.gz LRXRHLLBAWEBNK-OAHLLOKOSA-N 1 0 355.482 2.645 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000653128748 1014233533 /nfs/dbraw/zinc/23/35/33/1014233533.db2.gz WVQZAXHXFPZBMJ-GJZGRUSLSA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000653143528 1014237272 /nfs/dbraw/zinc/23/72/72/1014237272.db2.gz RKCLJEXDKQCYLB-HNAYVOBHSA-N 1 0 367.493 2.739 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000961945388 1014305203 /nfs/dbraw/zinc/30/52/03/1014305203.db2.gz SAADERXEUAJSLN-MKQGEQSTSA-N 1 0 360.498 2.803 20 10 FFCDRO CN(C)c1ccc([C@@H](CNCc2nccn2CC(F)(F)F)[NH+](C)C)cc1 ZINC000898450352 976461798 /nfs/dbraw/zinc/46/17/98/976461798.db2.gz AVBJCJPIHFRUPN-MRXNPFEDSA-N 1 0 369.435 2.904 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)cc2)CC1 ZINC000876650008 1014340039 /nfs/dbraw/zinc/34/00/39/1014340039.db2.gz LKCNIFKWGVEYNW-JOCHJYFZSA-N 1 0 374.525 2.808 20 10 FFCDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000876696716 1014355887 /nfs/dbraw/zinc/35/58/87/1014355887.db2.gz JESPFURUXXJSMR-ZWHYWQQASA-N 1 0 367.493 2.685 20 10 FFCDRO C[C@@H](Cc1ccccn1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097453 976904053 /nfs/dbraw/zinc/90/40/53/976904053.db2.gz AMQBWVIZEDKYBB-OXJNMPFZSA-N 1 0 369.513 2.681 20 10 FFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OC)c(OC)c1O)n2C ZINC000893660516 976961657 /nfs/dbraw/zinc/96/16/57/976961657.db2.gz FQWARFPBJSBMNA-UHFFFAOYSA-N 1 0 357.410 2.595 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1C ZINC000728906442 977126488 /nfs/dbraw/zinc/12/64/88/977126488.db2.gz ZEASZBZXXFDABM-KRWDZBQOSA-N 1 0 359.514 2.574 20 10 FFCDRO CCNC(=O)COc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1OC ZINC000876936980 1014425291 /nfs/dbraw/zinc/42/52/91/1014425291.db2.gz ODDYGJCXNKCGII-UHFFFAOYSA-N 1 0 358.438 2.514 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCOC1 ZINC000876945843 1014428495 /nfs/dbraw/zinc/42/84/95/1014428495.db2.gz KESSFWFPGWFUCV-NVALYEJGSA-N 1 0 366.477 2.580 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000876986353 1014441571 /nfs/dbraw/zinc/44/15/71/1014441571.db2.gz CPBDXDWCUGBYEE-OAHLLOKOSA-N 1 0 357.454 2.797 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1O ZINC000894179624 978118668 /nfs/dbraw/zinc/11/86/68/978118668.db2.gz TXGAEBURBIECQM-HNNXBMFYSA-N 1 0 357.454 2.619 20 10 FFCDRO COC(=O)c1c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(F)ccc2n1C ZINC000894188076 978124596 /nfs/dbraw/zinc/12/45/96/978124596.db2.gz QGCCOBTVZBQEFX-CABCVRRESA-N 1 0 359.445 2.820 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)NCCN3CCOC[C@H]3C)c2C)cc1 ZINC000729384627 978270335 /nfs/dbraw/zinc/27/03/35/978270335.db2.gz AMKRBOAJIITXHG-MRXNPFEDSA-N 1 0 371.481 2.553 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)cc2)CC1 ZINC000877139951 1014486832 /nfs/dbraw/zinc/48/68/32/1014486832.db2.gz HDOJKTPYXOIHHX-QFIPXVFZSA-N 1 0 370.468 2.880 20 10 FFCDRO Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)c1ccc(O)c(O)c1)CC2 ZINC001272003200 979515338 /nfs/dbraw/zinc/51/53/38/979515338.db2.gz UWHHELIVMXXVIR-UHFFFAOYSA-N 1 0 373.478 2.601 20 10 FFCDRO Cc1ccncc1N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877497120 1014599922 /nfs/dbraw/zinc/59/99/22/1014599922.db2.gz FXMJEMHOVIURLK-UHFFFAOYSA-N 1 0 366.509 2.673 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000877516411 1014609370 /nfs/dbraw/zinc/60/93/70/1014609370.db2.gz DXYRIHPAUHLLMF-QAPCUYQASA-N 1 0 372.431 2.640 20 10 FFCDRO O[C@@H](CCOCc1ccccc1)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000905063198 980378955 /nfs/dbraw/zinc/37/89/55/980378955.db2.gz VMAWWHKUXIHPRD-QFIPXVFZSA-N 1 0 370.493 2.581 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000877635963 1014655247 /nfs/dbraw/zinc/65/52/47/1014655247.db2.gz JAUJNPTVYBUVMW-UHFFFAOYSA-N 1 0 372.440 2.863 20 10 FFCDRO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(N3CCOCC3)cc1)n2C ZINC000185834545 984041190 /nfs/dbraw/zinc/04/11/90/984041190.db2.gz NAGBBDGZSJMYNH-UHFFFAOYSA-N 1 0 366.465 2.708 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000764808671 984728611 /nfs/dbraw/zinc/72/86/11/984728611.db2.gz GNXKSVXMODWCTC-PXNSSMCTSA-N 1 0 356.466 2.614 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764865625 984748620 /nfs/dbraw/zinc/74/86/20/984748620.db2.gz VOVLWRALFNPTHE-HNNXBMFYSA-N 1 0 358.461 2.974 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2C)cc1 ZINC000158254573 984817175 /nfs/dbraw/zinc/81/71/75/984817175.db2.gz AEYMOUXQJNOHBS-NRFANRHFSA-N 1 0 353.466 2.928 20 10 FFCDRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765320862 985037880 /nfs/dbraw/zinc/03/78/80/985037880.db2.gz AFHTZXATUUMURL-MAUKXSAKSA-N 1 0 374.481 2.860 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000170676171 985111147 /nfs/dbraw/zinc/11/11/47/985111147.db2.gz SUFSDXFSHQTQFO-UHFFFAOYSA-N 1 0 374.529 2.839 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCc3ccccc3C1)cc2=O ZINC000171592426 985322468 /nfs/dbraw/zinc/32/24/68/985322468.db2.gz HIJRTOLDKODONP-UHFFFAOYSA-N 1 0 366.421 2.560 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cc2)C1 ZINC000921575374 985408390 /nfs/dbraw/zinc/40/83/90/985408390.db2.gz QMXAQJIBBVOLBR-KRWDZBQOSA-N 1 0 367.497 2.600 20 10 FFCDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000063767599 986063493 /nfs/dbraw/zinc/06/34/93/986063493.db2.gz DCZMYIFDFOVJKK-UHFFFAOYSA-N 1 0 373.419 2.500 20 10 FFCDRO COc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000174264942 986166114 /nfs/dbraw/zinc/16/61/14/986166114.db2.gz YGUHWJBCDISOPH-HUUCEWRRSA-N 1 0 363.502 2.957 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000174607229 986261587 /nfs/dbraw/zinc/26/15/87/986261587.db2.gz FJOOAAIAFFVLQZ-APWZRJJASA-N 1 0 374.529 2.788 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000765884352 986807032 /nfs/dbraw/zinc/80/70/32/986807032.db2.gz IVWBBWWFFXXLGL-FQEVSTJZSA-N 1 0 360.546 2.736 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3csc(-c4ccn(C)n4)n3)C2)cc1 ZINC000922238517 988223642 /nfs/dbraw/zinc/22/36/42/988223642.db2.gz UZELYNRBVWLKSM-AWEZNQCLSA-N 1 0 369.494 2.921 20 10 FFCDRO COc1cccc(C[NH2+]C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000922787442 988906238 /nfs/dbraw/zinc/90/62/38/988906238.db2.gz ZBSJJYWCKHWBCP-LJQANCHMSA-N 1 0 366.458 2.516 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000796498177 1015497702 /nfs/dbraw/zinc/49/77/02/1015497702.db2.gz BVIOSSKOQPBCOK-UHFFFAOYSA-N 1 0 354.406 2.567 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000916573368 989827951 /nfs/dbraw/zinc/82/79/51/989827951.db2.gz LUDRFLRLMCERIV-IEBWSBKVSA-N 1 0 374.554 2.666 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000127732984 1015526472 /nfs/dbraw/zinc/52/64/72/1015526472.db2.gz YDXMELPLZITMSY-RDJZCZTQSA-N 1 0 372.513 2.588 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000921113358 990976764 /nfs/dbraw/zinc/97/67/64/990976764.db2.gz YCYDGYNKZANWBA-RTWAWAEBSA-N 1 0 371.525 2.887 20 10 FFCDRO C[C@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237673350 991300560 /nfs/dbraw/zinc/30/05/60/991300560.db2.gz MGLQAWOPNQRZJA-XLIONFOSSA-N 1 0 373.541 2.537 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1O ZINC000879651572 1015627014 /nfs/dbraw/zinc/62/70/14/1015627014.db2.gz BOBHVEXSRKOSJM-IRXDYDNUSA-N 1 0 353.466 2.686 20 10 FFCDRO COc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000179874220 991367646 /nfs/dbraw/zinc/36/76/46/991367646.db2.gz DUSRNBZCLAEFQY-UHFFFAOYSA-N 1 0 368.477 2.986 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000185347375 993290825 /nfs/dbraw/zinc/29/08/25/993290825.db2.gz WNVAIILWGCGDOH-MRXNPFEDSA-N 1 0 363.502 2.904 20 10 FFCDRO CCC(CC)[N@H+](CC)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000808782002 994259540 /nfs/dbraw/zinc/25/95/40/994259540.db2.gz BACGUAAHIGNSTG-FQEVSTJZSA-N 1 0 363.546 2.689 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C)n3C)C[C@H]2C)cc1C ZINC001082424633 994595244 /nfs/dbraw/zinc/59/52/44/994595244.db2.gz NBBWLIBHVQHCCC-CRAIPNDOSA-N 1 0 355.482 2.901 20 10 FFCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809768920 994597776 /nfs/dbraw/zinc/59/77/76/994597776.db2.gz YPIJIWGKYNCUKR-KRWDZBQOSA-N 1 0 365.474 2.803 20 10 FFCDRO Cc1cc(CCNC(=O)COC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC001132014984 994671936 /nfs/dbraw/zinc/67/19/36/994671936.db2.gz JHWHZANQQXOBMI-UHFFFAOYSA-N 1 0 369.509 2.864 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208623 994736997 /nfs/dbraw/zinc/73/69/97/994736997.db2.gz DBENMDBNNKYQHX-HNNXBMFYSA-N 1 0 373.419 2.662 20 10 FFCDRO CCOC1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)C1 ZINC001082499627 994767326 /nfs/dbraw/zinc/76/73/26/994767326.db2.gz XGUZTGKQPFWDCM-JYPHPWERSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000747622802 994869387 /nfs/dbraw/zinc/86/93/87/994869387.db2.gz YONGTCRIKHEHQB-SFHVURJKSA-N 1 0 358.482 2.711 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3ccncc3)C[C@H]2C)cc1C ZINC001082610722 995065123 /nfs/dbraw/zinc/06/51/23/995065123.db2.gz YPERBWXVOYGXJC-YLJYHZDGSA-N 1 0 367.493 2.968 20 10 FFCDRO CCCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)[nH]n1 ZINC001082676356 995246827 /nfs/dbraw/zinc/24/68/27/995246827.db2.gz NYYUHPFDLHEHRD-DNVCBOLYSA-N 1 0 370.497 2.930 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@H]2C)cc1C ZINC001082759576 995430448 /nfs/dbraw/zinc/43/04/48/995430448.db2.gz VVHBHDASDGVNGS-AUUYWEPGSA-N 1 0 368.481 2.854 20 10 FFCDRO CCC1(C)CN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000813032944 995602086 /nfs/dbraw/zinc/60/20/86/995602086.db2.gz XZHVMUGAYIGHTM-UHFFFAOYSA-N 1 0 374.529 2.649 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC(C)(C)C(N)=O)C3)cc2)CC1 ZINC000824608520 997010129 /nfs/dbraw/zinc/01/01/29/997010129.db2.gz IAFLCYMYGLOCCL-LJQANCHMSA-N 1 0 372.557 2.552 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)cc1OC ZINC000825030692 997186045 /nfs/dbraw/zinc/18/60/45/997186045.db2.gz PXTYUIDXFNPTIA-ZBFHGGJFSA-N 1 0 363.454 2.917 20 10 FFCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000730785575 997479660 /nfs/dbraw/zinc/47/96/60/997479660.db2.gz CJZBGSGQQLACRR-KRWDZBQOSA-N 1 0 371.481 2.553 20 10 FFCDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000730818074 997506465 /nfs/dbraw/zinc/50/64/65/997506465.db2.gz ZXDTWZQFFRQKAV-UHFFFAOYSA-N 1 0 361.530 2.502 20 10 FFCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000844177716 997696300 /nfs/dbraw/zinc/69/63/00/997696300.db2.gz FRHUNZNSBZWQEP-CXAGYDPISA-N 1 0 367.440 2.761 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000844219263 997709187 /nfs/dbraw/zinc/70/91/87/997709187.db2.gz KSZQIWZZHVSZSW-UHFFFAOYSA-N 1 0 366.509 2.623 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000844313393 997770401 /nfs/dbraw/zinc/77/04/01/997770401.db2.gz RDXDPNHYZAZPAF-BFUOFWGJSA-N 1 0 368.474 2.669 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(-n3ccnc3)nc2)cc1 ZINC000844401354 997861101 /nfs/dbraw/zinc/86/11/01/997861101.db2.gz MKQXXARJMVJQAI-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000731449983 997912943 /nfs/dbraw/zinc/91/29/43/997912943.db2.gz MLDGFNXDYGWMKF-INIZCTEOSA-N 1 0 365.477 2.893 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001144500051 998608818 /nfs/dbraw/zinc/60/88/18/998608818.db2.gz NWGMAULGMGBVMD-STQMWFEESA-N 1 0 366.458 2.786 20 10 FFCDRO CN1C(=O)CC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c2ccccc21 ZINC001144508655 998610205 /nfs/dbraw/zinc/61/02/05/998610205.db2.gz UNBQQCIMDVDVTG-UHFFFAOYSA-N 1 0 368.433 2.704 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(O)c1 ZINC001144504326 998611906 /nfs/dbraw/zinc/61/19/06/998611906.db2.gz PKTXZWSXLYXTLV-PWIZWCRZSA-N 1 0 363.454 2.742 20 10 FFCDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cc(O)cc2O)O1 ZINC001144507929 998613972 /nfs/dbraw/zinc/61/39/72/998613972.db2.gz GDAJVPPCDOJQCO-IDHHARJASA-N 1 0 351.443 2.598 20 10 FFCDRO CC[C@H]1[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001144509755 998622621 /nfs/dbraw/zinc/62/26/21/998622621.db2.gz KPACHRCNNMGTPY-CTNGQTDRSA-N 1 0 374.481 2.949 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000740005414 999657187 /nfs/dbraw/zinc/65/71/87/999657187.db2.gz BSGQZBXGEPRBSD-PMACEKPBSA-N 1 0 370.493 2.764 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000742940013 999793043 /nfs/dbraw/zinc/79/30/43/999793043.db2.gz OWGCCDKPMOHOEX-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000743633717 999827081 /nfs/dbraw/zinc/82/70/81/999827081.db2.gz CTGMXBLXTZUVEX-UHFFFAOYSA-N 1 0 366.509 2.651 20 10 FFCDRO COCC[C@@H]1CCCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000767939285 1000162377 /nfs/dbraw/zinc/16/23/77/1000162377.db2.gz AEJFBBVEENXCNG-SFHVURJKSA-N 1 0 361.530 2.850 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1COc2ccccc2O1 ZINC000768178066 1000189706 /nfs/dbraw/zinc/18/97/06/1000189706.db2.gz CVADYDZKNXTAQU-KRWDZBQOSA-N 1 0 372.440 2.934 20 10 FFCDRO CCN1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000846097210 1000207626 /nfs/dbraw/zinc/20/76/26/1000207626.db2.gz NSYKCKPBFNFWBN-KRWDZBQOSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1O ZINC000846166325 1000215132 /nfs/dbraw/zinc/21/51/32/1000215132.db2.gz VIFQABBDYJZKIZ-WMLDXEAASA-N 1 0 355.438 2.638 20 10 FFCDRO Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1C ZINC000768466264 1000263465 /nfs/dbraw/zinc/26/34/65/1000263465.db2.gz XCFJWAMBUPIMPQ-HXUWFJFHSA-N 1 0 354.450 2.757 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3ccccc3CC[NH3+])CC2)cc1 ZINC000846674458 1000405612 /nfs/dbraw/zinc/40/56/12/1000405612.db2.gz YGDCZUKCKMRWMD-UHFFFAOYSA-N 1 0 353.466 2.595 20 10 FFCDRO COCC[NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846702301 1000413295 /nfs/dbraw/zinc/41/32/95/1000413295.db2.gz HJEWJAORNNUDLK-QGZVFWFLSA-N 1 0 352.394 2.970 20 10 FFCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769524333 1000541328 /nfs/dbraw/zinc/54/13/28/1000541328.db2.gz LTJDYSXTWDEBQW-OAHLLOKOSA-N 1 0 360.458 2.673 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC001147837385 1000985334 /nfs/dbraw/zinc/98/53/34/1000985334.db2.gz HJKFRFRPXAGTDI-FQEVSTJZSA-N 1 0 373.541 2.632 20 10 FFCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000786160063 1001540158 /nfs/dbraw/zinc/54/01/58/1001540158.db2.gz CASQCRUTPHTCAZ-LJQANCHMSA-N 1 0 358.457 2.664 20 10 FFCDRO COCC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000786506171 1001599649 /nfs/dbraw/zinc/59/96/49/1001599649.db2.gz MRFXSFFCOAWBGN-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO CCO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087074506 1001755191 /nfs/dbraw/zinc/75/51/91/1001755191.db2.gz UWXBBVXJTMBZKQ-XBQLCILLSA-N 1 0 360.498 2.613 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC000788206326 1001772668 /nfs/dbraw/zinc/77/26/68/1001772668.db2.gz UEFYTIFFIPQEFD-JOCHJYFZSA-N 1 0 369.509 2.931 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000788537920 1001816494 /nfs/dbraw/zinc/81/64/94/1001816494.db2.gz YYBVCLSOSNXWNH-QFBILLFUSA-N 1 0 363.458 2.869 20 10 FFCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000793285009 1003326562 /nfs/dbraw/zinc/32/65/62/1003326562.db2.gz KGTJGPHUYDUFNW-SFHVURJKSA-N 1 0 374.485 2.933 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000775678153 1003633714 /nfs/dbraw/zinc/63/37/14/1003633714.db2.gz MUTBCTWKIZYWHQ-ABSDTBQOSA-N 1 0 359.514 2.758 20 10 FFCDRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386884 1003634351 /nfs/dbraw/zinc/63/43/51/1003634351.db2.gz VMQQBCYBDQIELN-MRXNPFEDSA-N 1 0 360.502 2.731 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cn2c(n1)CCC2 ZINC000843832010 1003691797 /nfs/dbraw/zinc/69/17/97/1003691797.db2.gz UFYKGAPGKINJNS-HNNXBMFYSA-N 1 0 374.872 2.583 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)OC[C@@H]1CCCO1 ZINC000805052461 1003930697 /nfs/dbraw/zinc/93/06/97/1003930697.db2.gz KOPIYTVULGXQAA-FQEVSTJZSA-N 1 0 373.497 2.624 20 10 FFCDRO COc1cc(O)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1Br ZINC001205789204 1003997117 /nfs/dbraw/zinc/99/71/17/1003997117.db2.gz XLCKOLGMNYIUGU-SNVBAGLBSA-N 1 0 365.218 2.579 20 10 FFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806634162 1004381074 /nfs/dbraw/zinc/38/10/74/1004381074.db2.gz FQCOAWWPCJGUPY-LPHOPBHVSA-N 1 0 356.514 2.837 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000807400416 1004585981 /nfs/dbraw/zinc/58/59/81/1004585981.db2.gz BDRXUFIAAFMVKB-LIRRHRJNSA-N 1 0 357.454 2.891 20 10 FFCDRO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)C1CC1 ZINC000808226366 1004779146 /nfs/dbraw/zinc/77/91/46/1004779146.db2.gz LORREZQFHHRDBM-HNNXBMFYSA-N 1 0 374.506 2.839 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)C3CCCCC3)CC2)cc1 ZINC000775618042 1004835190 /nfs/dbraw/zinc/83/51/90/1004835190.db2.gz OYBLLLOBBIHEKK-KRWDZBQOSA-N 1 0 359.514 2.902 20 10 FFCDRO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)c1O ZINC000775655541 1004966899 /nfs/dbraw/zinc/96/68/99/1004966899.db2.gz ZRBJZVVJOXIKRJ-MRXNPFEDSA-N 1 0 371.456 2.985 20 10 FFCDRO CCO[C@H]1C[C@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000776161451 1005208436 /nfs/dbraw/zinc/20/84/36/1005208436.db2.gz WYTZUWOWQNJDKT-SFTDATJTSA-N 1 0 373.541 2.755 20 10 FFCDRO CC(C)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000776258360 1005319505 /nfs/dbraw/zinc/31/95/05/1005319505.db2.gz WIMZZGIKDWDCLI-LJQANCHMSA-N 1 0 361.530 2.894 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cccnc3)cc2F)CC1 ZINC000106506608 1005326208 /nfs/dbraw/zinc/32/62/08/1005326208.db2.gz PLRORUGGUSTTBY-UHFFFAOYSA-N 1 0 357.433 2.684 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 ZINC000776346472 1005384913 /nfs/dbraw/zinc/38/49/13/1005384913.db2.gz IAVSSMJTOPOZLD-XLIONFOSSA-N 1 0 371.525 2.650 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccn(C4CCOCC4)n3)cc2)CC1 ZINC000850384443 1005812268 /nfs/dbraw/zinc/81/22/68/1005812268.db2.gz LLBJVZFFQVTXHX-UHFFFAOYSA-N 1 0 355.486 2.599 20 10 FFCDRO Cn1cc(-c2cccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2)nn1 ZINC000850403534 1005813416 /nfs/dbraw/zinc/81/34/16/1005813416.db2.gz PHRDPLDFZMURKQ-UHFFFAOYSA-N 1 0 362.481 2.846 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000850405770 1005813851 /nfs/dbraw/zinc/81/38/51/1005813851.db2.gz CXJPRUBOMPDEAW-UHFFFAOYSA-N 1 0 371.447 2.764 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000850422601 1005814803 /nfs/dbraw/zinc/81/48/03/1005814803.db2.gz WRDYNQIBBVQUQR-SFHVURJKSA-N 1 0 359.514 2.509 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850509934 1005819726 /nfs/dbraw/zinc/81/97/26/1005819726.db2.gz UCIAIRVEODOHHB-KDOFPFPSSA-N 1 0 371.437 2.718 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851640527 1005901995 /nfs/dbraw/zinc/90/19/95/1005901995.db2.gz XJAZLQFVGKDOGF-OXJNMPFZSA-N 1 0 351.450 2.625 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1O ZINC000851880220 1005919906 /nfs/dbraw/zinc/91/99/06/1005919906.db2.gz VPXWQDBUPUZKBX-MRXNPFEDSA-N 1 0 367.449 2.849 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H](OC)C3CCC3)CC2)cc(OC)c1OC ZINC000851936882 1005924463 /nfs/dbraw/zinc/92/44/63/1005924463.db2.gz XWAZMTOAXKXGRG-IBGZPJMESA-N 1 0 364.486 2.650 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CCC(C[NH+](C)C)CC3)C2)cc1 ZINC000852225987 1005953220 /nfs/dbraw/zinc/95/32/20/1005953220.db2.gz VNHQVVHAJDSEFM-ABHNRTSZSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[N@H+](C)CC(C)C)C2)cc1 ZINC000852395666 1006004904 /nfs/dbraw/zinc/00/49/04/1006004904.db2.gz CKWNMCKAKWVEMI-QGZVFWFLSA-N 1 0 362.518 2.551 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000852403273 1006007258 /nfs/dbraw/zinc/00/72/58/1006007258.db2.gz KPSVTXMEEZIFFU-FFZOFVMBSA-N 1 0 372.513 2.590 20 10 FFCDRO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1O ZINC000813784716 1006038486 /nfs/dbraw/zinc/03/84/86/1006038486.db2.gz PHPIDNNDCUUWEO-PKOBYXMFSA-N 1 0 374.506 2.948 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000852595168 1006095800 /nfs/dbraw/zinc/09/58/00/1006095800.db2.gz RPQLJYKBCZJGOL-OAQYLSRUSA-N 1 0 373.541 2.992 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852895852 1006225046 /nfs/dbraw/zinc/22/50/46/1006225046.db2.gz KYHTTYWJAKTKOY-UHFFFAOYSA-N 1 0 353.466 2.549 20 10 FFCDRO Cc1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1C(C)(C)C ZINC000881850130 1006241780 /nfs/dbraw/zinc/24/17/80/1006241780.db2.gz OIKRQTVLKVQXJE-UHFFFAOYSA-N 1 0 369.513 2.628 20 10 FFCDRO CCCCn1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000881850863 1006241888 /nfs/dbraw/zinc/24/18/88/1006241888.db2.gz IZPWXUWJALJEIK-UHFFFAOYSA-N 1 0 369.513 2.673 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2COC[C@H]2C)C1 ZINC000853198186 1006330830 /nfs/dbraw/zinc/33/08/30/1006330830.db2.gz QJDJPALIAQDVMT-FOIQADDNSA-N 1 0 356.466 2.986 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC4CC3(C)C4)cc2F)CC1 ZINC000853694541 1006507994 /nfs/dbraw/zinc/50/79/94/1006507994.db2.gz PVBCVKVWAQQWKL-UHFFFAOYSA-N 1 0 360.477 2.662 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)C2)cc1 ZINC000883149543 1006672918 /nfs/dbraw/zinc/67/29/18/1006672918.db2.gz DCRFICFMGJTCST-HNNXBMFYSA-N 1 0 352.438 2.893 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816535306 1007100433 /nfs/dbraw/zinc/10/04/33/1007100433.db2.gz LKQUIRRBHANVFN-UHFFFAOYSA-N 1 0 355.482 2.626 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000884010729 1007138812 /nfs/dbraw/zinc/13/88/12/1007138812.db2.gz KFMDDJCEGXBKHG-YFVAEKQCSA-N 1 0 355.457 2.939 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000134070247 1007337017 /nfs/dbraw/zinc/33/70/17/1007337017.db2.gz AUIGGWNOHAJHSU-GOSISDBHSA-N 1 0 358.530 2.846 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884309926 1007366483 /nfs/dbraw/zinc/36/64/83/1007366483.db2.gz JOGSQDGEXPGBQM-PXAZEXFGSA-N 1 0 354.406 2.894 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855734999 1007532025 /nfs/dbraw/zinc/53/20/25/1007532025.db2.gz KGKPAKSAFCRGTC-LHUXKHBRSA-N 1 0 366.461 2.886 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000775372626 1007578419 /nfs/dbraw/zinc/57/84/19/1007578419.db2.gz DTMFBQWNXJHMRG-OLZOCXBDSA-N 1 0 363.458 2.598 20 10 FFCDRO CCCN1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000817411085 1007591567 /nfs/dbraw/zinc/59/15/67/1007591567.db2.gz MRROQYXXGJLZRY-KRWDZBQOSA-N 1 0 374.485 2.933 20 10 FFCDRO CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](CO)O1 ZINC000817412399 1007591771 /nfs/dbraw/zinc/59/17/71/1007591771.db2.gz KKLZQRVLNYEGOC-IBGZPJMESA-N 1 0 357.450 2.943 20 10 FFCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000817589324 1007660160 /nfs/dbraw/zinc/66/01/60/1007660160.db2.gz XEQGYPSBKMUZKI-JKSUJKDBSA-N 1 0 366.477 2.897 20 10 FFCDRO COC(=O)COc1ccccc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944309 1007820672 /nfs/dbraw/zinc/82/06/72/1007820672.db2.gz ZBSDUWKSOFIHLD-HNAYVOBHSA-N 1 0 371.481 2.655 20 10 FFCDRO COc1ccc([C@@H](CCn2cncn2)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817956946 1007825005 /nfs/dbraw/zinc/82/50/05/1007825005.db2.gz GHFFTROQKBOFKK-HXUWFJFHSA-N 1 0 351.454 2.833 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn(-c4ccccc4)nn3)C2)cc1 ZINC000818219148 1007886513 /nfs/dbraw/zinc/88/65/13/1007886513.db2.gz CHSWSDBXQZNVKM-QGZVFWFLSA-N 1 0 363.465 2.892 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000818222295 1007887658 /nfs/dbraw/zinc/88/76/58/1007887658.db2.gz WIHITGLQZGPBLL-KRWDZBQOSA-N 1 0 363.465 2.892 20 10 FFCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1c1c[nH]nn1 ZINC000818285256 1007908111 /nfs/dbraw/zinc/90/81/11/1007908111.db2.gz GOLRBQBBTDYTES-FXAWDEMLSA-N 1 0 355.486 2.718 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccc(N(C)CC)cc3)C2)n1 ZINC000856677973 1007944393 /nfs/dbraw/zinc/94/43/93/1007944393.db2.gz TXJFYBAERRPRGC-HXUWFJFHSA-N 1 0 358.486 2.658 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)cc1 ZINC000818613113 1007951742 /nfs/dbraw/zinc/95/17/42/1007951742.db2.gz FPECPLIZMTWVAC-NSISKUIASA-N 1 0 359.514 2.935 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)COCc1ccccc1 ZINC000818964416 1007980554 /nfs/dbraw/zinc/98/05/54/1007980554.db2.gz VRGYMNJJUHXIEM-NRFANRHFSA-N 1 0 372.534 2.907 20 10 FFCDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000818984935 1008000741 /nfs/dbraw/zinc/00/07/41/1008000741.db2.gz JMCCUSCOTVMSTN-QGZVFWFLSA-N 1 0 360.429 2.624 20 10 FFCDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818984781 1008000748 /nfs/dbraw/zinc/00/07/48/1008000748.db2.gz HAKYXBFOPQOVNK-QGZVFWFLSA-N 1 0 360.429 2.624 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(F)=C3CCC3)CC2)cc1 ZINC000819032347 1008026844 /nfs/dbraw/zinc/02/68/44/1008026844.db2.gz BUSAIUIXROCEIG-UHFFFAOYSA-N 1 0 361.461 2.731 20 10 FFCDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819076750 1008038321 /nfs/dbraw/zinc/03/83/21/1008038321.db2.gz FLWGJFQQYICOPD-HXUWFJFHSA-N 1 0 356.466 2.793 20 10 FFCDRO C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)[N@H+](C)Cc1ccccc1 ZINC000819168442 1008055505 /nfs/dbraw/zinc/05/55/05/1008055505.db2.gz QIQDQZSAQZGSAB-INIZCTEOSA-N 1 0 367.449 2.677 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819379138 1008127082 /nfs/dbraw/zinc/12/70/82/1008127082.db2.gz CSYAWURJCPDHSQ-MGPUTAFESA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COc3ccccc3C)C2)cc1 ZINC000819379796 1008128156 /nfs/dbraw/zinc/12/81/56/1008128156.db2.gz LAYNHOUZSSAFKE-QUCCMNQESA-N 1 0 370.493 2.859 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)ccc1OCCO ZINC000858101829 1008302161 /nfs/dbraw/zinc/30/21/61/1008302161.db2.gz HHXJKYLWBAIWKL-UHFFFAOYSA-N 1 0 366.408 2.700 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1F ZINC000858154256 1008313061 /nfs/dbraw/zinc/31/30/61/1008313061.db2.gz BTACOBVTXVOTSA-CQSZACIVSA-N 1 0 365.399 2.604 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1F ZINC000858162736 1008314983 /nfs/dbraw/zinc/31/49/83/1008314983.db2.gz LNUQMAHIWMQZFS-HNNXBMFYSA-N 1 0 366.456 2.801 20 10 FFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000858236127 1008329575 /nfs/dbraw/zinc/32/95/75/1008329575.db2.gz BEKJMWHBAYJASY-LJQANCHMSA-N 1 0 370.497 2.614 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c2c1c(F)ccc2O ZINC000858565615 1008383056 /nfs/dbraw/zinc/38/30/56/1008383056.db2.gz VHKIOTDZWDBBTD-UWWQBHOKSA-N 1 0 371.456 2.965 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000773624903 1008520899 /nfs/dbraw/zinc/52/08/99/1008520899.db2.gz LPIDSQNQJLYEGQ-OXQOHEQNSA-N 1 0 374.529 2.756 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000886324786 1008636915 /nfs/dbraw/zinc/63/69/15/1008636915.db2.gz GZFWYFNVUYOAMI-GOSISDBHSA-N 1 0 357.498 2.580 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(OC)cc3C)CC2)cc1 ZINC001177515152 1008637369 /nfs/dbraw/zinc/63/73/69/1008637369.db2.gz DKPJLOKPLPXPBQ-UHFFFAOYSA-N 1 0 369.509 2.924 20 10 FFCDRO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324998 1008637569 /nfs/dbraw/zinc/63/75/69/1008637569.db2.gz PMZLSCDQJSQJPA-PXNSSMCTSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000822583787 1008701441 /nfs/dbraw/zinc/70/14/41/1008701441.db2.gz VDKXUVJMVQKJJP-QGZVFWFLSA-N 1 0 374.529 2.694 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000886507266 1008707064 /nfs/dbraw/zinc/70/70/64/1008707064.db2.gz CTFLCGQVHXDAKS-AWEZNQCLSA-N 1 0 373.428 2.695 20 10 FFCDRO CN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCC[N@H+](C)C1 ZINC001206566963 1032344822 /nfs/dbraw/zinc/34/48/22/1032344822.db2.gz RTOKCUAWQQOUEL-OAHLLOKOSA-N 1 0 364.453 2.954 20 10 FFCDRO CCC1(N2CCOCC2)CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000860027945 1008787715 /nfs/dbraw/zinc/78/77/15/1008787715.db2.gz KBVGENDTJIDPOR-UHFFFAOYSA-N 1 0 364.461 2.811 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccc(O)c1 ZINC000886747511 1008857505 /nfs/dbraw/zinc/85/75/05/1008857505.db2.gz WPFXFWLCRRGNGX-HNNXBMFYSA-N 1 0 353.466 2.945 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)CC1 ZINC000886749074 1008858657 /nfs/dbraw/zinc/85/86/57/1008858657.db2.gz IUMHHGRDLFXSCV-FQEVSTJZSA-N 1 0 364.493 2.951 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CNC(C)=O)cc2)CC1 ZINC000860179000 1008876986 /nfs/dbraw/zinc/87/69/86/1008876986.db2.gz BYVUIUZBTOGVKJ-HXUWFJFHSA-N 1 0 359.514 2.792 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)Cc1ccc(F)cc1 ZINC000823576766 1009116601 /nfs/dbraw/zinc/11/66/01/1009116601.db2.gz XZSYKVGQMMYPJO-SFHVURJKSA-N 1 0 361.413 2.500 20 10 FFCDRO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000773774261 1009153480 /nfs/dbraw/zinc/15/34/80/1009153480.db2.gz SRBFQMVIBYTTIC-KRWDZBQOSA-N 1 0 356.422 2.755 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000823729756 1009208635 /nfs/dbraw/zinc/20/86/35/1009208635.db2.gz KSXBFTBOLDVGQW-INIZCTEOSA-N 1 0 374.506 2.778 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000861621078 1009487619 /nfs/dbraw/zinc/48/76/19/1009487619.db2.gz WMWWSRSOZQOQTD-DUVNUKRYSA-N 1 0 372.435 2.982 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(C[NH+](C)C)C2)ccc1C ZINC000861859139 1009591771 /nfs/dbraw/zinc/59/17/71/1009591771.db2.gz AIACYZJDDRALQL-UHFFFAOYSA-N 1 0 353.466 2.849 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)C1 ZINC000862294433 1009785067 /nfs/dbraw/zinc/78/50/67/1009785067.db2.gz JDOOLDPQCQUZQQ-INIZCTEOSA-N 1 0 354.454 2.544 20 10 FFCDRO CCOC(=O)c1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000862325446 1009791967 /nfs/dbraw/zinc/79/19/67/1009791967.db2.gz BUBDRTREQUCYTP-UHFFFAOYSA-N 1 0 357.454 2.835 20 10 FFCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000862475573 1009850753 /nfs/dbraw/zinc/85/07/53/1009850753.db2.gz OXYUSNBFRDDAAV-NRFANRHFSA-N 1 0 371.433 2.735 20 10 FFCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000862475574 1009854552 /nfs/dbraw/zinc/85/45/52/1009854552.db2.gz OXYUSNBFRDDAAV-OAQYLSRUSA-N 1 0 371.433 2.735 20 10 FFCDRO CCc1cccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)c1O ZINC000862543814 1009877683 /nfs/dbraw/zinc/87/76/83/1009877683.db2.gz ONDXBUJAFFPMGE-UHFFFAOYSA-N 1 0 356.422 2.796 20 10 FFCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000862552263 1009879528 /nfs/dbraw/zinc/87/95/28/1009879528.db2.gz UUXWQJZUUWMPEH-INIZCTEOSA-N 1 0 374.506 2.820 20 10 FFCDRO CCN1CCC([NH+]2CCC(C(=O)NCc3cc(C)ccc3O)CC2)CC1 ZINC000862755670 1009959239 /nfs/dbraw/zinc/95/92/39/1009959239.db2.gz JPMFXKNLGDTQBF-UHFFFAOYSA-N 1 0 359.514 2.513 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000862757153 1009960191 /nfs/dbraw/zinc/96/01/91/1009960191.db2.gz JHDBNHICIOCWOW-YRNVUSSQSA-N 1 0 354.450 2.971 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000863310645 1010170892 /nfs/dbraw/zinc/17/08/92/1010170892.db2.gz MIMDGXYMCCEOTC-HNNXBMFYSA-N 1 0 359.422 2.569 20 10 FFCDRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)c3ccc(N)cc3)CC2)cc1 ZINC000863558458 1010254882 /nfs/dbraw/zinc/25/48/82/1010254882.db2.gz JKSCWZKCXPHWNG-UHFFFAOYSA-N 1 0 366.509 2.748 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001182154361 1010403105 /nfs/dbraw/zinc/40/31/05/1010403105.db2.gz HFLMIKOGKKGYIK-UHFFFAOYSA-N 1 0 352.434 2.698 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339299 1010547608 /nfs/dbraw/zinc/54/76/08/1010547608.db2.gz FGBKDTVRMHITPK-PWSUYJOCSA-N 1 0 372.259 2.794 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CC(OC)C3)C[C@H]2C)cc1C ZINC001093846419 1010615916 /nfs/dbraw/zinc/61/59/16/1010615916.db2.gz KUEOFDBFHAGVNU-ZTRSQXPZSA-N 1 0 360.498 2.613 20 10 FFCDRO C[C@H]([NH2+]Cc1cnc2c(cnn2C)c1)c1ccc(N2CCOCC2)cc1 ZINC000865431448 1010784244 /nfs/dbraw/zinc/78/42/44/1010784244.db2.gz DKDWSHJNZYUMGM-HNNXBMFYSA-N 1 0 351.454 2.656 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000866528872 1011011626 /nfs/dbraw/zinc/01/16/26/1011011626.db2.gz BJQRLXUUISHWJB-XLIONFOSSA-N 1 0 360.498 2.760 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1 ZINC000866579072 1011019555 /nfs/dbraw/zinc/01/95/55/1011019555.db2.gz XUONVJJNRVDUTC-AWEZNQCLSA-N 1 0 355.438 2.777 20 10 FFCDRO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc2ccccc2c1O ZINC000866627450 1011026094 /nfs/dbraw/zinc/02/60/94/1011026094.db2.gz ANTYWIAOYRRLLN-LBPRGKRZSA-N 1 0 351.406 2.965 20 10 FFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171501428 1011360280 /nfs/dbraw/zinc/36/02/80/1011360280.db2.gz YMQZLEFCLSIJEB-BZNIZROVSA-N 1 0 353.340 2.696 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001171685847 1011442093 /nfs/dbraw/zinc/44/20/93/1011442093.db2.gz PLVWBGLBGPHIOW-INIZCTEOSA-N 1 0 359.470 2.912 20 10 FFCDRO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275072068 1011886426 /nfs/dbraw/zinc/88/64/26/1011886426.db2.gz AUJHWHNSTIGUHH-LAUBAEHRSA-N 1 0 359.514 2.602 20 10 FFCDRO CC(C)(C)C(=O)OCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001275232151 1012114400 /nfs/dbraw/zinc/11/44/00/1012114400.db2.gz LHIMPZZXVPNSOK-FQEVSTJZSA-N 1 0 360.454 2.506 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CC(=O)C(C)(C)C)C3=O)C2)c1 ZINC001275237467 1012126105 /nfs/dbraw/zinc/12/61/05/1012126105.db2.gz AZQRWKNPKAFZJZ-OAQYLSRUSA-N 1 0 358.482 2.740 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c(O)c1 ZINC001275241674 1012128704 /nfs/dbraw/zinc/12/87/04/1012128704.db2.gz ICIMGNCKVHFYCP-UHFFFAOYSA-N 1 0 368.424 2.871 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c(O)c1 ZINC001275242691 1012132925 /nfs/dbraw/zinc/13/29/25/1012132925.db2.gz YDCGLUWPEYLARM-LJQANCHMSA-N 1 0 368.424 2.871 20 10 FFCDRO COc1ccc(CN2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001275244812 1012134313 /nfs/dbraw/zinc/13/43/13/1012134313.db2.gz SEQHSIVWOPLKKC-INIZCTEOSA-N 1 0 358.360 2.530 20 10 FFCDRO C[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070497 1012237900 /nfs/dbraw/zinc/23/79/00/1012237900.db2.gz XRPGNKRULMOVHG-JSGCOSHPSA-N 1 0 364.442 2.658 20 10 FFCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796362816 1012347870 /nfs/dbraw/zinc/34/78/70/1012347870.db2.gz LVVIATFGICZWMJ-JTSKRJEESA-N 1 0 352.478 2.879 20 10 FFCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000870896040 1012624745 /nfs/dbraw/zinc/62/47/45/1012624745.db2.gz FCRSFTVNOSBCCP-FGBSKUFISA-N 1 0 365.424 2.500 20 10 FFCDRO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001275671500 1012816461 /nfs/dbraw/zinc/81/64/61/1012816461.db2.gz HLKAYSJQTIGBQF-SFHVURJKSA-N 1 0 354.397 2.568 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001275771016 1012987141 /nfs/dbraw/zinc/98/71/41/1012987141.db2.gz JYOWXESOJAVMJG-KKSFZXQISA-N 1 0 358.482 2.944 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000828353516 1032679059 /nfs/dbraw/zinc/67/90/59/1032679059.db2.gz QULOEYTZTRPVNC-UHFFFAOYSA-N 1 0 351.450 2.697 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccccc3O)cc2)CC1 ZINC000748441556 1017234401 /nfs/dbraw/zinc/23/44/01/1017234401.db2.gz CACZSHWVNBNNFE-UHFFFAOYSA-N 1 0 354.454 2.856 20 10 FFCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924727770 1017452141 /nfs/dbraw/zinc/45/21/41/1017452141.db2.gz XIVHPYRNEWNXGA-GUYCJALGSA-N 1 0 356.470 2.844 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@@H]34)cc2F)CC1 ZINC000924760576 1017466491 /nfs/dbraw/zinc/46/64/91/1017466491.db2.gz PUUCTZTYJFNZNP-FPOVZHCZSA-N 1 0 361.505 2.893 20 10 FFCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000827141952 1017508965 /nfs/dbraw/zinc/50/89/65/1017508965.db2.gz ZIOSGAGAMPGKGB-IRXDYDNUSA-N 1 0 372.469 2.686 20 10 FFCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925162434 1017645512 /nfs/dbraw/zinc/64/55/12/1017645512.db2.gz VRKVJPOLMFXHTI-ILXRZTDVSA-N 1 0 367.440 2.904 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC3CC[NH+](CC4CC4)CC3)cs2)cc1 ZINC000827376618 1017821657 /nfs/dbraw/zinc/82/16/57/1017821657.db2.gz WQZFOXKOKVFWMI-UHFFFAOYSA-N 1 0 370.522 2.920 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000748961927 1017872034 /nfs/dbraw/zinc/87/20/34/1017872034.db2.gz SPSJJVREVOGFSL-FXAWDEMLSA-N 1 0 374.529 2.537 20 10 FFCDRO Cc1cc(C(=O)CN2CC[NH+](CC3CC3)CC2)c(C)n1-c1ccc(F)cn1 ZINC000827435013 1018012329 /nfs/dbraw/zinc/01/23/29/1018012329.db2.gz SLOFTTNYSRGIFQ-UHFFFAOYSA-N 1 0 370.472 2.839 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3C)CC2)cc1 ZINC000827458638 1018117208 /nfs/dbraw/zinc/11/72/08/1018117208.db2.gz JJQXBILVPODCOP-FQEVSTJZSA-N 1 0 353.466 2.742 20 10 FFCDRO CCc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc[nH+]1 ZINC000827913136 1018977229 /nfs/dbraw/zinc/97/72/29/1018977229.db2.gz REMHHSPAOLMMOE-UHFFFAOYSA-N 1 0 357.454 2.996 20 10 FFCDRO Cc1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)ccc1N1CCCCC1 ZINC000828808018 1032847840 /nfs/dbraw/zinc/84/78/40/1032847840.db2.gz BMMZSZZFMOOTEF-LJQANCHMSA-N 1 0 359.514 2.746 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1O ZINC000390448132 1019841924 /nfs/dbraw/zinc/84/19/24/1019841924.db2.gz CCPFMDZHMXPMPR-OAHLLOKOSA-N 1 0 366.458 2.516 20 10 FFCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(N2CCOCC2)c(F)c1 ZINC000902437022 1020200478 /nfs/dbraw/zinc/20/04/78/1020200478.db2.gz GMHFPEYXCZSAKK-UQIDSAAFSA-N 1 0 355.457 2.938 20 10 FFCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@@H](c3cccs3)C2=O)[NH+](C)C)cc1 ZINC000900185003 1020248569 /nfs/dbraw/zinc/24/85/69/1020248569.db2.gz IQSTWEVEQNADPS-RDJZCZTQSA-N 1 0 372.494 2.710 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000397771998 1020292791 /nfs/dbraw/zinc/29/27/91/1020292791.db2.gz MBLXTZYGBFWQTB-CVEARBPZSA-N 1 0 364.442 2.902 20 10 FFCDRO CC(C)n1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000931244941 1020388482 /nfs/dbraw/zinc/38/84/82/1020388482.db2.gz BVAVGNDONZEGDE-QGZVFWFLSA-N 1 0 358.490 2.954 20 10 FFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900754020 1020630926 /nfs/dbraw/zinc/63/09/26/1020630926.db2.gz HLROZYBSCNMQPO-SFTDATJTSA-N 1 0 371.525 2.528 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(F)cc1C)cc2=O ZINC000932564246 1020834972 /nfs/dbraw/zinc/83/49/72/1020834972.db2.gz VMQDFXPPSDTXGU-LBPRGKRZSA-N 1 0 372.400 2.910 20 10 FFCDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000829003019 1032940728 /nfs/dbraw/zinc/94/07/28/1032940728.db2.gz HCCOFLFBDBHVFD-RBUKOAKNSA-N 1 0 354.450 2.990 20 10 FFCDRO CC[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2)OC ZINC001098480572 1020949523 /nfs/dbraw/zinc/94/95/23/1020949523.db2.gz NNUUFVJTALSUDV-TWMKSMIVSA-N 1 0 373.457 2.609 20 10 FFCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001116443462 1021219330 /nfs/dbraw/zinc/21/93/30/1021219330.db2.gz WNIORKHKNHDBNP-NSHDSACASA-N 1 0 353.260 2.645 20 10 FFCDRO C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001116762775 1021401545 /nfs/dbraw/zinc/40/15/45/1021401545.db2.gz GYBNLABEGGBJIC-UWJYYQICSA-N 1 0 367.493 2.990 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+]C[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218068255 1032978364 /nfs/dbraw/zinc/97/83/64/1032978364.db2.gz DNLSIJCJJXFSJA-GOEBONIOSA-N 1 0 355.365 2.555 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC001117656084 1021799041 /nfs/dbraw/zinc/79/90/41/1021799041.db2.gz FLSUGUMEGIKCOR-KRWDZBQOSA-N 1 0 359.514 2.902 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](CO)c3ccc(F)cc3)cc2F)CC1 ZINC001117748073 1021857043 /nfs/dbraw/zinc/85/70/43/1021857043.db2.gz YDWHKFUQTMUOST-IBGZPJMESA-N 1 0 361.436 2.540 20 10 FFCDRO CN1CCN(c2ccc(CNc3cccc(-c4nc[nH]n4)c3)cc2F)CC1 ZINC001117986471 1022001388 /nfs/dbraw/zinc/00/13/88/1022001388.db2.gz QLWWJSLGAVKDIE-UHFFFAOYSA-N 1 0 366.444 2.975 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC001118126231 1022079724 /nfs/dbraw/zinc/07/97/24/1022079724.db2.gz JRCCKJGPKGRZHE-PMACEKPBSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+]([C@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000042123294 1022140186 /nfs/dbraw/zinc/14/01/86/1022140186.db2.gz TZLHYJLCTVOLEM-MRXNPFEDSA-N 1 0 357.498 2.607 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2F)CC1 ZINC001118248532 1022141943 /nfs/dbraw/zinc/14/19/43/1022141943.db2.gz YMZHFHQLPNGXKW-NRFANRHFSA-N 1 0 361.505 2.872 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)(C)c3ccccc3)CC2)cc1 ZINC000750875466 1022693136 /nfs/dbraw/zinc/69/31/36/1022693136.db2.gz RUQYZXQALUTLRC-UHFFFAOYSA-N 1 0 367.493 2.869 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000159474489 1022694278 /nfs/dbraw/zinc/69/42/78/1022694278.db2.gz PZPDFYKFPPDGDC-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO CC(=O)Nc1ccc(O[C@H]2CCC[NH2+]C2)c2c1C(=O)c1ccccc1C2=O ZINC001218285313 1033085843 /nfs/dbraw/zinc/08/58/43/1033085843.db2.gz JSTSNLVNJNPLSY-ZDUSSCGKSA-N 1 0 364.401 2.551 20 10 FFCDRO O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@H]3CCC[NH2+]C3)c21 ZINC001218284482 1033086789 /nfs/dbraw/zinc/08/67/89/1033086789.db2.gz ZZUZPTAWPDKPKX-GUYCJALGSA-N 1 0 371.389 2.641 20 10 FFCDRO Nc1ccc(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000829302840 1033090249 /nfs/dbraw/zinc/09/02/49/1033090249.db2.gz MPAZLYGAZWDHJY-UHFFFAOYSA-N 1 0 353.466 2.602 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276780026 1033088731 /nfs/dbraw/zinc/08/87/31/1033088731.db2.gz JCLBPLOYWWNRES-VBKZILBWSA-N 1 0 362.470 2.807 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218316911 1033100325 /nfs/dbraw/zinc/10/03/25/1033100325.db2.gz ZTVRLYSBSIOIJG-MRXNPFEDSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1cc(C(=O)N2CCC3(CC2)C[NH2+]CCO3)c(C)n1-c1ccccc1C ZINC001122234282 1023133355 /nfs/dbraw/zinc/13/33/55/1023133355.db2.gz QPSZGVSRKCRHOQ-UHFFFAOYSA-N 1 0 367.493 2.997 20 10 FFCDRO Cc1ccc(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c(O)c1O ZINC000753126350 1023274636 /nfs/dbraw/zinc/27/46/36/1023274636.db2.gz INICBNXDUFTZIF-UHFFFAOYSA-N 1 0 370.449 2.788 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC(C(C)C)C3)CC2)cc1 ZINC000753548989 1023350674 /nfs/dbraw/zinc/35/06/74/1023350674.db2.gz BVSJOIMMKODGLP-UHFFFAOYSA-N 1 0 374.529 2.505 20 10 FFCDRO O=C1OCC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000753548350 1023351221 /nfs/dbraw/zinc/35/12/21/1023351221.db2.gz HTLOYJMQDKVEPA-GOSISDBHSA-N 1 0 368.433 2.998 20 10 FFCDRO COc1ccc2c(c1O[C@H]1C[NH2+]CCC13CC3)C(=O)c1ccccc1C2=O ZINC001218406096 1033140327 /nfs/dbraw/zinc/14/03/27/1033140327.db2.gz RXGGGKBCMFUOCF-KRWDZBQOSA-N 1 0 363.413 2.992 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000756149574 1023673574 /nfs/dbraw/zinc/67/35/74/1023673574.db2.gz MGFPEBXCLRSIRC-MRXNPFEDSA-N 1 0 362.376 2.964 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(O)c1 ZINC000756574417 1023730336 /nfs/dbraw/zinc/73/03/36/1023730336.db2.gz LRHBGZJPJKZOIU-INIZCTEOSA-N 1 0 374.506 2.786 20 10 FFCDRO COC(=O)/C=C\c1ccc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000779429038 1023824446 /nfs/dbraw/zinc/82/44/46/1023824446.db2.gz NABYQWWDYXZJLN-QPBFKRLHSA-N 1 0 361.442 2.948 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c2c1c(F)ccc2O ZINC000757659277 1023842806 /nfs/dbraw/zinc/84/28/06/1023842806.db2.gz ZIDFTDFUUJWXNB-YUELXQCFSA-N 1 0 372.444 2.594 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1C ZINC000757656898 1023843535 /nfs/dbraw/zinc/84/35/35/1023843535.db2.gz OZQONJLUIMDJOM-WBVHZDCISA-N 1 0 356.470 2.584 20 10 FFCDRO Oc1cccc(F)c1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001137835384 1033173221 /nfs/dbraw/zinc/17/32/21/1033173221.db2.gz GGYJQMCZINMBQT-DKSSEZFCSA-N 1 0 358.413 2.985 20 10 FFCDRO [O-]c1cccc(F)c1C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001137835622 1033174327 /nfs/dbraw/zinc/17/43/27/1033174327.db2.gz LHMNKQYHNQFMJH-UHFFFAOYSA-N 1 0 350.397 2.984 20 10 FFCDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218482835 1033174567 /nfs/dbraw/zinc/17/45/67/1033174567.db2.gz PKFNULVDYGAAMN-PXAZEXFGSA-N 1 0 351.402 2.853 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ncc(F)cn4)CC3)c2c1 ZINC000758996311 1024416873 /nfs/dbraw/zinc/41/68/73/1024416873.db2.gz WTGLRVYTQDYHSD-UHFFFAOYSA-N 1 0 368.412 2.805 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N(C)C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137855911 1033221389 /nfs/dbraw/zinc/22/13/89/1033221389.db2.gz JWDUCNDAMPOZAF-NJDAHSKKSA-N 1 0 367.493 2.914 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC34CCC4)CC2)cc1 ZINC000759695291 1024726591 /nfs/dbraw/zinc/72/65/91/1024726591.db2.gz YPMMDTBPAARXOG-LJQANCHMSA-N 1 0 357.498 2.514 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)ccc21 ZINC001141142378 1025510523 /nfs/dbraw/zinc/51/05/23/1025510523.db2.gz NQGUXSXZSWYWPJ-WMZOPIPTSA-N 1 0 373.497 2.956 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)ccc21 ZINC001141142441 1025510802 /nfs/dbraw/zinc/51/08/02/1025510802.db2.gz PNOYEHLEKSKYEL-UXHICEINSA-N 1 0 364.493 2.759 20 10 FFCDRO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159049 1025540054 /nfs/dbraw/zinc/54/00/54/1025540054.db2.gz XEYFLDCNXKZTKQ-SFHVURJKSA-N 1 0 352.434 2.736 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH+](C3CCC3)C3CCC3)CC2)cc1 ZINC000795460085 1026297715 /nfs/dbraw/zinc/29/77/15/1026297715.db2.gz XHMKNCKGKZLSHD-UHFFFAOYSA-N 1 0 357.498 2.751 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000839497798 1026702301 /nfs/dbraw/zinc/70/23/01/1026702301.db2.gz KMCSGGCLPYUISU-FQEVSTJZSA-N 1 0 359.514 2.792 20 10 FFCDRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1C ZINC000839540064 1026721695 /nfs/dbraw/zinc/72/16/95/1026721695.db2.gz QSSVHRAYEAMDIF-NSHDSACASA-N 1 0 360.410 2.666 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1O ZINC000839641430 1026770550 /nfs/dbraw/zinc/77/05/50/1026770550.db2.gz TYLIXQNKBYNFGB-MSOLQXFVSA-N 1 0 372.852 2.949 20 10 FFCDRO CC(C)n1cc(C2=CCC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)nn1 ZINC000840119977 1026965665 /nfs/dbraw/zinc/96/56/65/1026965665.db2.gz WJSUXYHDSZDALV-LJQANCHMSA-N 1 0 370.453 2.670 20 10 FFCDRO CN(CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C(=O)OC(C)(C)C ZINC000840184118 1027001379 /nfs/dbraw/zinc/00/13/79/1027001379.db2.gz YMTZCZWISXVHCV-INIZCTEOSA-N 1 0 366.458 2.507 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000840257083 1027023102 /nfs/dbraw/zinc/02/31/02/1027023102.db2.gz XLXJVCGGRPJXMY-ILZDJORESA-N 1 0 358.530 2.918 20 10 FFCDRO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccn(C)n1 ZINC000840733278 1027234954 /nfs/dbraw/zinc/23/49/54/1027234954.db2.gz PFXIVWDMGFLDFC-KRWDZBQOSA-N 1 0 353.514 2.803 20 10 FFCDRO O=C(NC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000092784409 1027451107 /nfs/dbraw/zinc/45/11/07/1027451107.db2.gz BYHRIAAZFPQCOI-QGZVFWFLSA-N 1 0 368.433 2.905 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](N4CCOCC4)C[C@@H]3C)c2c1 ZINC000795698827 1027881560 /nfs/dbraw/zinc/88/15/60/1027881560.db2.gz PROIRLIUPYVJKA-RDJZCZTQSA-N 1 0 356.466 2.849 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)[C@H](O)CO2 ZINC000795702721 1027897416 /nfs/dbraw/zinc/89/74/16/1027897416.db2.gz VUUKQSJNUCUAOU-XODKDNOYSA-N 1 0 367.445 2.823 20 10 FFCDRO CCc1ncncc1NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001164334410 1029248915 /nfs/dbraw/zinc/24/89/15/1029248915.db2.gz SLXVTWFKPBMEJJ-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO CN(C)c1nc(Cl)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156651115 1029287863 /nfs/dbraw/zinc/28/78/63/1029287863.db2.gz IDLWATWNYIXKCF-UHFFFAOYSA-N 1 0 360.893 2.560 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H](F)Oc3cccc(Cl)n3)cc2)CC1 ZINC001156655503 1029290721 /nfs/dbraw/zinc/29/07/21/1029290721.db2.gz FVHXFKYSQMTCHF-SFHVURJKSA-N 1 0 364.852 2.909 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4c3COC4)cc2)CC1 ZINC001156656018 1029291104 /nfs/dbraw/zinc/29/11/04/1029291104.db2.gz LSDQUALNIXXVES-UHFFFAOYSA-N 1 0 359.861 2.524 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000840932592 1029932135 /nfs/dbraw/zinc/93/21/35/1029932135.db2.gz BCCYTPTYYHFJEG-JOCHJYFZSA-N 1 0 353.510 2.788 20 10 FFCDRO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000840975537 1029957404 /nfs/dbraw/zinc/95/74/04/1029957404.db2.gz YRBCRHYCHVVSNY-FQEVSTJZSA-N 1 0 357.498 2.500 20 10 FFCDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000841045741 1029999422 /nfs/dbraw/zinc/99/94/22/1029999422.db2.gz PERPRCRHGIWCQA-BEFAXECRSA-N 1 0 357.498 2.990 20 10 FFCDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045432 1030001484 /nfs/dbraw/zinc/00/14/84/1030001484.db2.gz KWLRDMAAECERKE-KUHUBIRLSA-N 1 0 358.461 2.898 20 10 FFCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000841148946 1030074434 /nfs/dbraw/zinc/07/44/34/1030074434.db2.gz BKFCTLIQQQSFRC-QGZVFWFLSA-N 1 0 351.410 2.861 20 10 FFCDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841302249 1030172727 /nfs/dbraw/zinc/17/27/27/1030172727.db2.gz QSCSKJAQFSNGPS-UHFFFAOYSA-N 1 0 367.497 2.728 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)cc1F ZINC000841304921 1030176254 /nfs/dbraw/zinc/17/62/54/1030176254.db2.gz RJGBTVPGSWUMGL-UHFFFAOYSA-N 1 0 358.417 2.647 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000841317467 1030191479 /nfs/dbraw/zinc/19/14/79/1030191479.db2.gz PTWRHWTWCGVELF-UHFFFAOYSA-N 1 0 354.454 2.769 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)ccc21 ZINC000841758527 1030446782 /nfs/dbraw/zinc/44/67/82/1030446782.db2.gz IIBSZAYYRUCWMK-RTBURBONSA-N 1 0 356.514 2.600 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841832752 1030493940 /nfs/dbraw/zinc/49/39/40/1030493940.db2.gz RQMHDQJXFYFRID-RTBURBONSA-N 1 0 354.498 2.594 20 10 FFCDRO CC(C)(C)OC(=O)NCCCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000698798477 1030558866 /nfs/dbraw/zinc/55/88/66/1030558866.db2.gz OCBYPFFGONCELC-HNNXBMFYSA-N 1 0 350.459 2.901 20 10 FFCDRO CCN(CC)C(=O)c1nc2c(s1)CC[N@H+](Cc1ccccc1O)CC2 ZINC001203552051 1030759738 /nfs/dbraw/zinc/75/97/38/1030759738.db2.gz YNORNQOTKYZURZ-UHFFFAOYSA-N 1 0 359.495 2.932 20 10 FFCDRO C[C@@H]1N(c2cccnc2)C(=O)COC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203551829 1030760619 /nfs/dbraw/zinc/76/06/19/1030760619.db2.gz PKYDLANWWJEARJ-INIZCTEOSA-N 1 0 367.449 2.574 20 10 FFCDRO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552328 1030762249 /nfs/dbraw/zinc/76/22/49/1030762249.db2.gz JZCZXHHUZCNGNZ-SFHVURJKSA-N 1 0 351.450 2.768 20 10 FFCDRO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203552327 1030764652 /nfs/dbraw/zinc/76/46/52/1030764652.db2.gz JZCZXHHUZCNGNZ-GOSISDBHSA-N 1 0 351.450 2.768 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccccc1O)C2 ZINC001203552472 1030765023 /nfs/dbraw/zinc/76/50/23/1030765023.db2.gz MHBWBUMUIXEEIO-OAQYLSRUSA-N 1 0 351.450 2.802 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c1O ZINC001203592127 1030775593 /nfs/dbraw/zinc/77/55/93/1030775593.db2.gz PKZHECVYOPZYAA-SYNHAJSKSA-N 1 0 356.422 2.607 20 10 FFCDRO COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1O ZINC001203592307 1030775679 /nfs/dbraw/zinc/77/56/79/1030775679.db2.gz SJWCKROCWMNJQK-IYBDPMFKSA-N 1 0 358.463 2.666 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)c1O ZINC001203591959 1030776330 /nfs/dbraw/zinc/77/63/30/1030776330.db2.gz OAPUWAGASUTQDU-UHFFFAOYSA-N 1 0 370.497 2.765 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1O ZINC001203593546 1030778383 /nfs/dbraw/zinc/77/83/83/1030778383.db2.gz NTALLVPBWCPULY-DYESRHJHSA-N 1 0 370.449 2.998 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(Oc3nccc(OC)n3)CC2)c1O ZINC001203617690 1030789822 /nfs/dbraw/zinc/78/98/22/1030789822.db2.gz URGDWDIPFFJSJW-UHFFFAOYSA-N 1 0 359.426 2.633 20 10 FFCDRO COc1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(O)c1 ZINC001203623913 1030791926 /nfs/dbraw/zinc/79/19/26/1030791926.db2.gz YCXZLONFBODYPD-HOTGVXAUSA-N 1 0 358.463 2.666 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203627769 1030795066 /nfs/dbraw/zinc/79/50/66/1030795066.db2.gz ODMHTUCQQVRXPZ-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203634787 1030797392 /nfs/dbraw/zinc/79/73/92/1030797392.db2.gz VCMHZCQRGSAHQK-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)c(O)c1 ZINC001203634425 1030798966 /nfs/dbraw/zinc/79/89/66/1030798966.db2.gz FNBUFRYOMSWPTR-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cc(Cl)ccc4O)C[C@@H]32)N=C1C ZINC001203657870 1030807919 /nfs/dbraw/zinc/80/79/19/1030807919.db2.gz HPNKTVLIKADFOU-ACWOFJMJSA-N 1 0 361.873 2.907 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001203656314 1030810928 /nfs/dbraw/zinc/81/09/28/1030810928.db2.gz MUUPSMYDJKWZGP-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CN1Cc1ccncc1 ZINC001203659712 1030813171 /nfs/dbraw/zinc/81/31/71/1030813171.db2.gz YVBCIAKCHAQJRF-RDJZCZTQSA-N 1 0 357.841 2.531 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c1 ZINC001203670843 1030816075 /nfs/dbraw/zinc/81/60/75/1030816075.db2.gz FYLKZFKYJKLFHT-MRXNPFEDSA-N 1 0 355.438 2.730 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1 ZINC001203672762 1030817265 /nfs/dbraw/zinc/81/72/65/1030817265.db2.gz DKFLVTVDUBZUFJ-RHSMWYFYSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC001203671546 1030819436 /nfs/dbraw/zinc/81/94/36/1030819436.db2.gz RBESBSXGFQEGAN-LJQANCHMSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 ZINC001203677943 1030821908 /nfs/dbraw/zinc/82/19/08/1030821908.db2.gz BKIZOTXSUMQCHS-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001203681362 1030825244 /nfs/dbraw/zinc/82/52/44/1030825244.db2.gz VAHKYHMBCOXXPK-QGZVFWFLSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(O)c(O)c4)C3)CC2=O)cc1 ZINC001203878526 1030952967 /nfs/dbraw/zinc/95/29/67/1030952967.db2.gz VEGVVHLCDSBAPO-OAQYLSRUSA-N 1 0 368.433 2.735 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)cc1 ZINC001203931172 1030990497 /nfs/dbraw/zinc/99/04/97/1030990497.db2.gz NZFKQECWNNHZJN-RXVVDRJESA-N 1 0 367.468 2.982 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)cc1 ZINC001203932937 1030992478 /nfs/dbraw/zinc/99/24/78/1030992478.db2.gz DSOHNWVPOCWBRA-OAQYLSRUSA-N 1 0 350.466 2.777 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC001203934171 1030993229 /nfs/dbraw/zinc/99/32/29/1030993229.db2.gz WEHDYJIKHZZWPW-YZGWKJHDSA-N 1 0 368.481 2.601 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)c4cscn4)C3)C2)cc1 ZINC001203933187 1030993372 /nfs/dbraw/zinc/99/33/72/1030993372.db2.gz IYUGTFOOSCRDCS-CALCHBBNSA-N 1 0 370.522 2.803 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)cc1 ZINC001203934482 1030995644 /nfs/dbraw/zinc/99/56/44/1030995644.db2.gz ZRRVQVTVCLSOGG-GOSISDBHSA-N 1 0 371.525 2.792 20 10 FFCDRO O=C(c1cccc(F)c1)N1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204275104 1031201563 /nfs/dbraw/zinc/20/15/63/1031201563.db2.gz WVHJVAJHDDHEAI-KBXCAEBGSA-N 1 0 356.397 2.583 20 10 FFCDRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204274619 1031202269 /nfs/dbraw/zinc/20/22/69/1031202269.db2.gz QTDKXGMBXRVDEF-SFHVURJKSA-N 1 0 352.434 2.736 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC001204321254 1031226724 /nfs/dbraw/zinc/22/67/24/1031226724.db2.gz AUNRFVGEMPGBKP-UHFFFAOYSA-N 1 0 371.525 2.748 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC001204339237 1031236129 /nfs/dbraw/zinc/23/61/29/1031236129.db2.gz BUQMUIKWIQTZPP-RISCZKNCSA-N 1 0 355.276 2.689 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000843298739 1031294913 /nfs/dbraw/zinc/29/49/13/1031294913.db2.gz OJZJOEKMVRQONZ-FQEVSTJZSA-N 1 0 367.493 2.617 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843347172 1031338087 /nfs/dbraw/zinc/33/80/87/1031338087.db2.gz BLIPJQKPHHAJKL-INIZCTEOSA-N 1 0 369.465 2.676 20 10 FFCDRO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350209 1031339958 /nfs/dbraw/zinc/33/99/58/1031339958.db2.gz PKWLHNCCSLXRPQ-DNVCBOLYSA-N 1 0 365.477 2.926 20 10 FFCDRO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349626 1031342638 /nfs/dbraw/zinc/34/26/38/1031342638.db2.gz GSAKXGFZEZMLGP-GFCCVEGCSA-N 1 0 365.437 2.507 20 10 FFCDRO CCOc1cccc(CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350808 1031342927 /nfs/dbraw/zinc/34/29/27/1031342927.db2.gz VLXKWONJVWRKPD-UHFFFAOYSA-N 1 0 353.466 2.613 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000798927373 1031586486 /nfs/dbraw/zinc/58/64/86/1031586486.db2.gz RUQUSLLDSDOQKQ-OAQYLSRUSA-N 1 0 366.509 2.879 20 10 FFCDRO C[C@@]1([NH3+])CCCN(Cc2ccc(I)cc2O)CC1 ZINC001205288562 1031650949 /nfs/dbraw/zinc/65/09/49/1031650949.db2.gz LLRPFFSFCRJNBD-CQSZACIVSA-N 1 0 360.239 2.700 20 10 FFCDRO COC1CCN(c2ccc(CN3CCOC[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000829708998 1033298019 /nfs/dbraw/zinc/29/80/19/1033298019.db2.gz VNEFOQNTPPOMAB-RTWAWAEBSA-N 1 0 360.498 2.682 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc3c(c1O)C=CC(C)(C)O3)CC2 ZINC001276947792 1033724327 /nfs/dbraw/zinc/72/43/27/1033724327.db2.gz COCGOZRPFMJRLM-MRXNPFEDSA-N 1 0 356.466 2.925 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657852 1033728159 /nfs/dbraw/zinc/72/81/59/1033728159.db2.gz LVRSBAXZMAWDDZ-XKQJLSEDSA-N 1 0 367.440 2.761 20 10 FFCDRO Cc1c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c2ccccc2n1C ZINC001138257071 1034026874 /nfs/dbraw/zinc/02/68/74/1034026874.db2.gz USDDPGVOABLNSC-FQEVSTJZSA-N 1 0 355.482 2.700 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000831312297 1034030482 /nfs/dbraw/zinc/03/04/82/1034030482.db2.gz XRKVDDHRHXLVKP-IBGZPJMESA-N 1 0 369.465 2.742 20 10 FFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339175 1034170988 /nfs/dbraw/zinc/17/09/88/1034170988.db2.gz BACSDEIGCJJRDC-YOEHRIQHSA-N 1 0 358.482 2.722 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138342020 1034172009 /nfs/dbraw/zinc/17/20/09/1034172009.db2.gz XAMASWATAMVIMU-OAHLLOKOSA-N 1 0 358.482 2.866 20 10 FFCDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000831654717 1034182487 /nfs/dbraw/zinc/18/24/87/1034182487.db2.gz LIIBOLUYCADJGQ-FPOVZHCZSA-N 1 0 363.546 2.590 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(NC(=O)C(F)(F)F)CC3)ccc21 ZINC001138356432 1034193315 /nfs/dbraw/zinc/19/33/15/1034193315.db2.gz NZZGPSWKJLEMAQ-UHFFFAOYSA-N 1 0 355.404 2.712 20 10 FFCDRO COc1cnc(OC2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)nc1 ZINC001138359594 1034197626 /nfs/dbraw/zinc/19/76/26/1034197626.db2.gz VCYVPPUJXCJEJR-UHFFFAOYSA-N 1 0 368.481 2.911 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748477 1034255284 /nfs/dbraw/zinc/25/52/84/1034255284.db2.gz DDZBFYDUIZLPNZ-CBGDNZLLSA-N 1 0 367.493 2.974 20 10 FFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC001138496325 1034334399 /nfs/dbraw/zinc/33/43/99/1034334399.db2.gz NCVKULVNWVZPHE-FPOVZHCZSA-N 1 0 371.525 2.602 20 10 FFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC001138499942 1034342495 /nfs/dbraw/zinc/34/24/95/1034342495.db2.gz PNCFGQDDNYZZDL-HXUWFJFHSA-N 1 0 369.465 2.580 20 10 FFCDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001221011548 1034497960 /nfs/dbraw/zinc/49/79/60/1034497960.db2.gz OOQFFXLZTRTDKA-MRXNPFEDSA-N 1 0 353.470 2.568 20 10 FFCDRO COc1ccc(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c(O)c1 ZINC000832178871 1034612573 /nfs/dbraw/zinc/61/25/73/1034612573.db2.gz YPIIAJQZTLFPJP-UHFFFAOYSA-N 1 0 353.422 2.634 20 10 FFCDRO COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](O)[C@H]3C)c2C)cc1 ZINC000832220215 1034641437 /nfs/dbraw/zinc/64/14/37/1034641437.db2.gz OJIWNXGIBSUCSG-DNVCBOLYSA-N 1 0 370.449 2.519 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000832271990 1034694151 /nfs/dbraw/zinc/69/41/51/1034694151.db2.gz BLELKVMWMITQIW-LZLYRXPVSA-N 1 0 359.420 2.951 20 10 FFCDRO CCC(=O)Nc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274551 1034695588 /nfs/dbraw/zinc/69/55/88/1034695588.db2.gz VMEMANURZZMTJF-SFHVURJKSA-N 1 0 354.454 2.531 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccccc1N1CCOCC1)CCC2 ZINC001139509891 1035141903 /nfs/dbraw/zinc/14/19/03/1035141903.db2.gz LARXSFOTHZNKML-UHFFFAOYSA-N 1 0 354.450 2.883 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccc(N(C)C)c(C)c1 ZINC001139673207 1035193838 /nfs/dbraw/zinc/19/38/38/1035193838.db2.gz CNBPLOFVLOKYQZ-UHFFFAOYSA-N 1 0 364.486 2.769 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c(C)c1 ZINC001139854718 1035255654 /nfs/dbraw/zinc/25/56/54/1035255654.db2.gz QJUJRNMAIOEIKZ-UHFFFAOYSA-N 1 0 364.453 2.506 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)c1O ZINC001140179071 1035369930 /nfs/dbraw/zinc/36/99/30/1035369930.db2.gz GKCGZKDVNNNYOK-NRFANRHFSA-N 1 0 366.465 2.818 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)c1ccncc1 ZINC000834541033 1035405544 /nfs/dbraw/zinc/40/55/44/1035405544.db2.gz NWIAJTQGNPGPMM-OAQYLSRUSA-N 1 0 354.498 2.953 20 10 FFCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834555304 1035406785 /nfs/dbraw/zinc/40/67/85/1035406785.db2.gz QOTLBQZCBHIMHM-LJQANCHMSA-N 1 0 365.477 2.838 20 10 FFCDRO CC[C@H]1[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@]12CCC(=O)N2 ZINC001140283059 1035417355 /nfs/dbraw/zinc/41/73/55/1035417355.db2.gz KCDHMHROSTYMQX-IRLDBZIGSA-N 1 0 371.525 2.671 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCc4onc(COC)c4C3)cc2)CC1 ZINC001140302930 1035425470 /nfs/dbraw/zinc/42/54/70/1035425470.db2.gz DINLOIBNNAZIIV-UHFFFAOYSA-N 1 0 370.497 2.521 20 10 FFCDRO OC[C@]1([NH2+][C@H]2CCc3cccc(O)c32)CCCN(Cc2ccccc2)C1 ZINC000834722731 1035436523 /nfs/dbraw/zinc/43/65/23/1035436523.db2.gz YKMJDLWIBCRVSO-UGKGYDQZSA-N 1 0 352.478 2.996 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001140340614 1035444610 /nfs/dbraw/zinc/44/46/10/1035444610.db2.gz YRADUUCEBXIBHB-UHFFFAOYSA-N 1 0 352.862 2.507 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140344737 1035447047 /nfs/dbraw/zinc/44/70/47/1035447047.db2.gz LARGQJLVJIBGOX-UHFFFAOYSA-N 1 0 352.862 2.649 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)[C@H](COC)C1=O ZINC001140465094 1035485631 /nfs/dbraw/zinc/48/56/31/1035485631.db2.gz HZWXFNMBLMOMLB-MRXNPFEDSA-N 1 0 366.889 2.753 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835026443 1035490197 /nfs/dbraw/zinc/49/01/97/1035490197.db2.gz WKSHRQMRXJYKJB-VQHVLOKHSA-N 1 0 372.557 2.642 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1 ZINC000835032887 1035490754 /nfs/dbraw/zinc/49/07/54/1035490754.db2.gz MVFFFAAIHUJAFV-XQRVVYSFSA-N 1 0 355.457 2.853 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000835034567 1035491026 /nfs/dbraw/zinc/49/10/26/1035491026.db2.gz BLOMSAXXQMINGR-AATRIKPKSA-N 1 0 373.522 2.806 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC000835044348 1035492105 /nfs/dbraw/zinc/49/21/05/1035492105.db2.gz BFDDNDFKTWUHOI-SNAWJCMRSA-N 1 0 352.482 2.787 20 10 FFCDRO O=c1ccc2c(n1CC1CC1)CC[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232259161 1035532371 /nfs/dbraw/zinc/53/23/71/1035532371.db2.gz AXLCXBGZZGSHBU-UHFFFAOYSA-N 1 0 374.868 2.924 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232406097 1035653497 /nfs/dbraw/zinc/65/34/97/1035653497.db2.gz UKPLITXRRXJXIL-AWEZNQCLSA-N 1 0 358.438 2.740 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCC[C@H](C(=O)OC)CC2)c2ccccc2n1C ZINC001232410108 1035658089 /nfs/dbraw/zinc/65/80/89/1035658089.db2.gz IVCKJPLZEJEEEQ-AWEZNQCLSA-N 1 0 358.438 2.740 20 10 FFCDRO COC(=O)c1cc2c(nc1N(C)C)CC[N@H+](Cc1cc(C)ccc1O)CC2 ZINC001140621984 1035748708 /nfs/dbraw/zinc/74/87/08/1035748708.db2.gz TYZNPZDHSKUFMK-UHFFFAOYSA-N 1 0 369.465 2.549 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1O ZINC001140745062 1036035394 /nfs/dbraw/zinc/03/53/94/1036035394.db2.gz UWFZFVZWYYEXML-GCJKJVERSA-N 1 0 366.461 2.854 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001232837529 1036091574 /nfs/dbraw/zinc/09/15/74/1036091574.db2.gz KJYNOKKWQPNABA-SIKLNZKXSA-N 1 0 365.477 2.564 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c(O)c1 ZINC001232837467 1036091992 /nfs/dbraw/zinc/09/19/92/1036091992.db2.gz IEJJAKLAGSAHQX-CALCHBBNSA-N 1 0 371.506 2.724 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC001232841298 1036096666 /nfs/dbraw/zinc/09/66/66/1036096666.db2.gz BKBRRGVOLOXTKR-UHFFFAOYSA-N 1 0 371.456 2.992 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(I)cc2O)CC[C@@]1(C)O ZINC001232974440 1036204968 /nfs/dbraw/zinc/20/49/68/1036204968.db2.gz OCCOLMBLIKIAAB-QMTHXVAHSA-N 1 0 361.223 2.590 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cnoc1)C2 ZINC001277316683 1036217015 /nfs/dbraw/zinc/21/70/15/1036217015.db2.gz WVXLZOYDUDJVQX-HXUWFJFHSA-N 1 0 355.438 2.846 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cnoc1)C2 ZINC001277316679 1036217398 /nfs/dbraw/zinc/21/73/98/1036217398.db2.gz WVXLZOYDUDJVQX-FQEVSTJZSA-N 1 0 355.438 2.846 20 10 FFCDRO Oc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001233014746 1036249379 /nfs/dbraw/zinc/24/93/79/1036249379.db2.gz ABTIRHAQGNPUEY-ROUUACIJSA-N 1 0 354.450 2.757 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@]3(CCN(CC)C3=O)C2)c(O)c1 ZINC001140853322 1036287352 /nfs/dbraw/zinc/28/73/52/1036287352.db2.gz UJDKLDUMUFQYKD-KKSFZXQISA-N 1 0 359.514 2.929 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001140855948 1036292439 /nfs/dbraw/zinc/29/24/39/1036292439.db2.gz DSZUUYUFLADJLG-GOSISDBHSA-N 1 0 356.470 2.990 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078373 1036326590 /nfs/dbraw/zinc/32/65/90/1036326590.db2.gz SZYRKDCFERVEDB-CYBMUJFWSA-N 1 0 356.413 2.566 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CCC(=O)N3)CC2)c1O ZINC001233111732 1036355951 /nfs/dbraw/zinc/35/59/51/1036355951.db2.gz VUVBZRKPNKJKEL-UHFFFAOYSA-N 1 0 353.260 2.708 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1O ZINC001233288528 1036495413 /nfs/dbraw/zinc/49/54/13/1036495413.db2.gz NTIDZYPJRKIKPK-GOSISDBHSA-N 1 0 360.845 2.699 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(c4ccc(C)nn4)CCO[C@@H]3C2)c(O)c1 ZINC001140952026 1036557671 /nfs/dbraw/zinc/55/76/71/1036557671.db2.gz BYQBWIINNGMQPY-UYAOXDASSA-N 1 0 368.481 2.526 20 10 FFCDRO CC(C)(C)OC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454228 1036634099 /nfs/dbraw/zinc/63/40/99/1036634099.db2.gz MJDHBCAJWHMPON-UHFFFAOYSA-N 1 0 374.403 2.870 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001233482805 1036648594 /nfs/dbraw/zinc/64/85/94/1036648594.db2.gz CHMFAIYWLXFTKS-JSGCOSHPSA-N 1 0 366.458 2.786 20 10 FFCDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485652 1036653080 /nfs/dbraw/zinc/65/30/80/1036653080.db2.gz FTQOZGXKGGVGOJ-UHFFFAOYSA-N 1 0 352.431 2.683 20 10 FFCDRO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487487 1036655606 /nfs/dbraw/zinc/65/56/06/1036655606.db2.gz FWCYJCNXQINUEO-HNNXBMFYSA-N 1 0 357.406 2.759 20 10 FFCDRO C[N@@H+]1CC[C@H](Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)C1 ZINC001233515953 1036667556 /nfs/dbraw/zinc/66/75/56/1036667556.db2.gz VVOACNOIJGDEIS-SFHVURJKSA-N 1 0 361.486 2.827 20 10 FFCDRO O=C1CCCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)N1 ZINC001233746104 1036741576 /nfs/dbraw/zinc/74/15/76/1036741576.db2.gz UFDXSNVYXXMTQD-UHFFFAOYSA-N 1 0 358.360 2.926 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)cccc1OC(F)(F)F ZINC001233776557 1036758900 /nfs/dbraw/zinc/75/89/00/1036758900.db2.gz VNEOMUVBMSCQIW-LBPRGKRZSA-N 1 0 373.306 2.873 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ncccc3C)CC2)c(OC)c1 ZINC001141028138 1036764330 /nfs/dbraw/zinc/76/43/30/1036764330.db2.gz CHYODLAWHRZQBD-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)Nc2ccnn2CC[NH+](C)C)cc1 ZINC000836700873 1036765049 /nfs/dbraw/zinc/76/50/49/1036765049.db2.gz VXLCOCWCDVSTCU-UHFFFAOYSA-N 1 0 358.490 2.613 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141030562 1036775537 /nfs/dbraw/zinc/77/55/37/1036775537.db2.gz BRKAWFHQSKXRGJ-ZDUSSCGKSA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c(OC)c1 ZINC001141032861 1036778811 /nfs/dbraw/zinc/77/88/11/1036778811.db2.gz QCGQMDBDQXJDMH-CQSZACIVSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3c(O)cc(OC)cc3OC)C2)nc1 ZINC001141032530 1036778966 /nfs/dbraw/zinc/77/89/66/1036778966.db2.gz FDIPPANMALTUPJ-OAHLLOKOSA-N 1 0 374.437 2.856 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCOC)C3)c(O)c1 ZINC001277827713 1036894379 /nfs/dbraw/zinc/89/43/79/1036894379.db2.gz YLASKTXXIGJSIP-OAQYLSRUSA-N 1 0 360.498 2.948 20 10 FFCDRO CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078134 1036928749 /nfs/dbraw/zinc/92/87/49/1036928749.db2.gz MAXFXQMGZBYFPW-HXUWFJFHSA-N 1 0 371.525 2.503 20 10 FFCDRO Fc1cnc(O[C@@H]2CC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)nc1 ZINC001141079185 1036931126 /nfs/dbraw/zinc/93/11/26/1036931126.db2.gz WBMLMAVVIUTYBI-LJQANCHMSA-N 1 0 368.456 2.968 20 10 FFCDRO Cc1cnc(N2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)nc1 ZINC001141079173 1036931792 /nfs/dbraw/zinc/93/17/92/1036931792.db2.gz VWRRKTBXULOMLQ-UHFFFAOYSA-N 1 0 363.509 2.806 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CC(N4C[C@H](C)O[C@@H](C)C4)C3)c2c1 ZINC001234579578 1037098174 /nfs/dbraw/zinc/09/81/74/1037098174.db2.gz YGZSFXDDCPKIIC-GJZGRUSLSA-N 1 0 356.466 2.847 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCNC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234994522 1037287074 /nfs/dbraw/zinc/28/70/74/1037287074.db2.gz XYTBUCSENLIHJQ-QFIPXVFZSA-N 1 0 374.573 2.936 20 10 FFCDRO CCOC(=O)c1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998789 1037288802 /nfs/dbraw/zinc/28/88/02/1037288802.db2.gz JVSPEMOAELUEQE-NRFANRHFSA-N 1 0 355.482 2.931 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccc(N(C)C)c2ccccc12 ZINC001235324238 1037477926 /nfs/dbraw/zinc/47/79/26/1037477926.db2.gz NNGBKALYSLIUGM-ORYQWCPZSA-N 1 0 367.493 2.631 20 10 FFCDRO CC(C)=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(N(C)C)cc2O)C1=O ZINC001277944139 1037539323 /nfs/dbraw/zinc/53/93/23/1037539323.db2.gz WGVOVZILRDRJRM-NRFANRHFSA-N 1 0 357.498 2.991 20 10 FFCDRO O=C1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]2CCCN12 ZINC001231469818 1037613858 /nfs/dbraw/zinc/61/38/58/1037613858.db2.gz MSRKVLXJXBNOHR-SFHVURJKSA-N 1 0 352.434 2.778 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001231547990 1037673119 /nfs/dbraw/zinc/67/31/19/1037673119.db2.gz NCICFAMWGRTJAL-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231554849 1037677332 /nfs/dbraw/zinc/67/73/32/1037677332.db2.gz DLQQIJIQKFXWLE-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001231555893 1037679989 /nfs/dbraw/zinc/67/99/89/1037679989.db2.gz YMRYQGCPOFHHBP-QWRGUYRKSA-N 1 0 354.244 2.964 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@H]3C[N@H+](Cc4cccc(C)c4O)CCN3C2)n1 ZINC001231592851 1037710376 /nfs/dbraw/zinc/71/03/76/1037710376.db2.gz VGYBTRCPBVYOSU-SFTDATJTSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)c1O ZINC001231591712 1037712851 /nfs/dbraw/zinc/71/28/51/1037712851.db2.gz HOKHWPHKXGGJRS-OAQYLSRUSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1O ZINC001231594294 1037715572 /nfs/dbraw/zinc/71/55/72/1037715572.db2.gz AQYGHZBNQGXHRZ-HXUWFJFHSA-N 1 0 362.470 2.912 20 10 FFCDRO COc1cc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)cc1O ZINC001231633662 1037752114 /nfs/dbraw/zinc/75/21/14/1037752114.db2.gz RUBQDLHLKGTAOR-UHFFFAOYSA-N 1 0 364.442 2.549 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c(O)cc1O ZINC001231633837 1037754933 /nfs/dbraw/zinc/75/49/33/1037754933.db2.gz ZUWJLZRXQSMMHS-OCCSQVGLSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231637711 1037758355 /nfs/dbraw/zinc/75/83/55/1037758355.db2.gz QUGFDEAGTUHZQJ-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO COCCCN(Cc1cccc(OC(F)(F)F)c1O)[C@@H]1CCC[NH2+]C1 ZINC001235807758 1037759460 /nfs/dbraw/zinc/75/94/60/1037759460.db2.gz WDDPVIRBUMNYKR-CQSZACIVSA-N 1 0 362.392 2.881 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c(O)cc1O ZINC001231639273 1037760464 /nfs/dbraw/zinc/76/04/64/1037760464.db2.gz HMLSWAJHNCNHME-MRXNPFEDSA-N 1 0 368.433 2.727 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)cc1O ZINC001231639265 1037761626 /nfs/dbraw/zinc/76/16/26/1037761626.db2.gz HEEHGUDVJVUSPD-CQSZACIVSA-N 1 0 374.412 2.640 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)cc1O ZINC001231639740 1037762886 /nfs/dbraw/zinc/76/28/86/1037762886.db2.gz IMIVOBYCEDHLCR-JSGCOSHPSA-N 1 0 366.458 2.984 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)c(O)cc1O ZINC001231639741 1037763299 /nfs/dbraw/zinc/76/32/99/1037763299.db2.gz IMIVOBYCEDHLCR-OCCSQVGLSA-N 1 0 366.458 2.984 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c(O)c1 ZINC001231844211 1037941443 /nfs/dbraw/zinc/94/14/43/1037941443.db2.gz GOWZNFHSGKVPJF-TZIWHRDSSA-N 1 0 358.482 2.516 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001231844673 1037942714 /nfs/dbraw/zinc/94/27/14/1037942714.db2.gz LWUUZVUHSWYJIX-HQRMLTQVSA-N 1 0 358.482 2.515 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c(O)c1 ZINC001231844921 1037943427 /nfs/dbraw/zinc/94/34/27/1037943427.db2.gz RKKCRCZGRJUYKD-IBGZPJMESA-N 1 0 372.509 2.860 20 10 FFCDRO COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1c(C)cc(C)cc1O ZINC001231845396 1037944200 /nfs/dbraw/zinc/94/42/00/1037944200.db2.gz YBQBHKLEOQDDFS-SFHVURJKSA-N 1 0 356.470 2.756 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c(O)c1 ZINC001231850952 1037946077 /nfs/dbraw/zinc/94/60/77/1037946077.db2.gz XLXAXJJQORLBNO-QGZVFWFLSA-N 1 0 362.470 2.735 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001231852554 1037947679 /nfs/dbraw/zinc/94/76/79/1037947679.db2.gz MTXMVLYULVFVDJ-UHFFFAOYSA-N 1 0 371.529 2.814 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001231854332 1037950161 /nfs/dbraw/zinc/95/01/61/1037950161.db2.gz CRSWIPHHOBJENI-RDJZCZTQSA-N 1 0 361.486 2.812 20 10 FFCDRO COc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3OC)CC2)nc1 ZINC001231858370 1037956085 /nfs/dbraw/zinc/95/60/85/1037956085.db2.gz VGMXPLQWZNVUQD-UHFFFAOYSA-N 1 0 372.469 2.603 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(CN3CC[C@@H]([NH3+])C3)c2)nc1C ZINC001236173410 1037964839 /nfs/dbraw/zinc/96/48/39/1037964839.db2.gz NLKLMOYWZGEJOC-CQSZACIVSA-N 1 0 361.467 2.534 20 10 FFCDRO CCC[N@H+](Cc1ccc(I)cc1[O-])C1CC[NH2+]CC1 ZINC001236184337 1037972835 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FFCDRO CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246530278 1039385239 /nfs/dbraw/zinc/38/52/39/1039385239.db2.gz LAZLWDZKCZRDPZ-FIKMYACPSA-N 1 0 360.498 2.906 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1O ZINC001276682983 1039506628 /nfs/dbraw/zinc/50/66/28/1039506628.db2.gz FKYDMKBOBTVNPE-NRFANRHFSA-N 1 0 351.450 2.720 20 10 FFCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c(OC)c1 ZINC001246946835 1039544948 /nfs/dbraw/zinc/54/49/48/1039544948.db2.gz HZGUIAUDJHTPCS-OXQOHEQNSA-N 1 0 361.530 2.993 20 10 FFCDRO c1cncc(COc2ccc(N3CCN([C@@H]4CCCC[NH2+]C4)CC3)cc2)c1 ZINC001247006213 1039575171 /nfs/dbraw/zinc/57/51/71/1039575171.db2.gz UNWRXZDOUUQBAE-OAQYLSRUSA-N 1 0 366.509 2.925 20 10 FFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)C1 ZINC001278686277 1039771550 /nfs/dbraw/zinc/77/15/50/1039771550.db2.gz BWFHWCKTVLTOSL-UHFFFAOYSA-N 1 0 367.484 2.910 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@H](O)C(C)C)C3)C2)cc1 ZINC001253760926 1040357072 /nfs/dbraw/zinc/35/70/72/1040357072.db2.gz RPENTOGJHXLDQQ-SFTDATJTSA-N 1 0 362.514 2.631 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)cc3)CC2)c(C)c1 ZINC001253831167 1040397276 /nfs/dbraw/zinc/39/72/76/1040397276.db2.gz VXVGTDCSHGWORS-LJQANCHMSA-N 1 0 370.493 2.874 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253904453 1040442673 /nfs/dbraw/zinc/44/26/73/1040442673.db2.gz BICUDZYSKCKQMZ-RQUSPXKASA-N 1 0 374.391 2.563 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c(O)c1 ZINC001249201212 1040623289 /nfs/dbraw/zinc/62/32/89/1040623289.db2.gz KMSTYJKUMUIYEV-UHFFFAOYSA-N 1 0 373.424 2.730 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c(O)c1 ZINC001249201211 1040624930 /nfs/dbraw/zinc/62/49/30/1040624930.db2.gz KMRSRMQLGVWALO-UHFFFAOYSA-N 1 0 359.422 2.757 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001249201323 1040625903 /nfs/dbraw/zinc/62/59/03/1040625903.db2.gz OPIVRFCOHJVUGY-INIZCTEOSA-N 1 0 363.454 2.661 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001249201593 1040626904 /nfs/dbraw/zinc/62/69/04/1040626904.db2.gz ZJHLIDQKVHHSKY-UHFFFAOYSA-N 1 0 363.454 2.661 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c(O)c1 ZINC001249217485 1040630348 /nfs/dbraw/zinc/63/03/48/1040630348.db2.gz ORZQRAQNINHCFO-SFHVURJKSA-N 1 0 353.418 2.813 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3C)C2)c(O)c1 ZINC001249217307 1040630601 /nfs/dbraw/zinc/63/06/01/1040630601.db2.gz NGBCQXHYRFFOPK-GOSISDBHSA-N 1 0 370.449 2.855 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCN(c4ncccn4)CC3)ccc2O1 ZINC001249223647 1040638830 /nfs/dbraw/zinc/63/88/30/1040638830.db2.gz LDNLRVRNVCYTJK-UHFFFAOYSA-N 1 0 352.438 2.689 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001254292104 1040662260 /nfs/dbraw/zinc/66/22/60/1040662260.db2.gz SPBPOGNNLNGSQB-CQSZACIVSA-N 1 0 366.458 2.725 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(C(F)F)CCCC3)cc2)CC1 ZINC001254716525 1040905026 /nfs/dbraw/zinc/90/50/26/1040905026.db2.gz OMLJBYYBUDCAMO-UHFFFAOYSA-N 1 0 366.456 2.816 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001249735620 1040969703 /nfs/dbraw/zinc/96/97/03/1040969703.db2.gz SGSMBSJLXXYBFK-OSYLJGHBSA-N 1 0 351.418 2.762 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCC3(CCO3)CC2)c(O)c1 ZINC001249738644 1040972164 /nfs/dbraw/zinc/97/21/64/1040972164.db2.gz VZYBDDUSQSZLTQ-UHFFFAOYSA-N 1 0 363.454 2.869 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC001261237085 1041091971 /nfs/dbraw/zinc/09/19/71/1041091971.db2.gz GVWFOSUMPIEHCS-FQEVSTJZSA-N 1 0 358.457 2.950 20 10 FFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(OC)cc3)CC1)C2 ZINC001255200440 1041196132 /nfs/dbraw/zinc/19/61/32/1041196132.db2.gz OVQCTYKINAQWHJ-REPLKXPHSA-N 1 0 373.497 2.969 20 10 FFCDRO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(Cl)ccc2O)C3)[nH]1 ZINC001278569343 1041209485 /nfs/dbraw/zinc/20/94/85/1041209485.db2.gz UCZKVGRESMKAET-DYVFJYSZSA-N 1 0 359.857 2.853 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c1 ZINC001278571505 1041217649 /nfs/dbraw/zinc/21/76/49/1041217649.db2.gz SEQRVKJRPKFBMM-GASCZTMLSA-N 1 0 374.403 2.628 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c(O)c1 ZINC001278578432 1041242706 /nfs/dbraw/zinc/24/27/06/1041242706.db2.gz RBVFNJDMXJOVPS-RDJZCZTQSA-N 1 0 374.403 2.628 20 10 FFCDRO CN(C)c1ccccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001214305937 1041369834 /nfs/dbraw/zinc/36/98/34/1041369834.db2.gz RAOUWICYXMBJQF-UHFFFAOYSA-N 1 0 367.497 2.826 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)n1ccnc1 ZINC001261738551 1041390825 /nfs/dbraw/zinc/39/08/25/1041390825.db2.gz UYOFUDFPRQLIBF-OAHLLOKOSA-N 1 0 372.469 2.833 20 10 FFCDRO [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278606371 1041398409 /nfs/dbraw/zinc/39/84/09/1041398409.db2.gz XUGPZPNUUGOCRM-GASCZTMLSA-N 1 0 362.424 2.738 20 10 FFCDRO CC(C)NC(=O)N1CCCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1 ZINC001279141097 1042916517 /nfs/dbraw/zinc/91/65/17/1042916517.db2.gz BXTJBNVZDHTRLG-UHFFFAOYSA-N 1 0 361.486 2.894 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)cc1 ZINC001279149349 1042920577 /nfs/dbraw/zinc/92/05/77/1042920577.db2.gz FTSXJHPAAWYITG-MSOLQXFVSA-N 1 0 371.447 2.980 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2ccc[nH]2)c(O)c1 ZINC001279338668 1043011129 /nfs/dbraw/zinc/01/11/29/1043011129.db2.gz OLENKIFLAZXINB-KDURUIRLSA-N 1 0 353.466 2.837 20 10 FFCDRO CC(C)C1CC[NH+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237208208 1043054499 /nfs/dbraw/zinc/05/44/99/1043054499.db2.gz APCVUVKVVXAVKC-UHFFFAOYSA-N 1 0 350.528 2.789 20 10 FFCDRO OCCCCC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001237258374 1043077777 /nfs/dbraw/zinc/07/77/77/1043077777.db2.gz LEOZIDZXHCXWSR-UHFFFAOYSA-N 1 0 355.482 2.945 20 10 FFCDRO COCCOCN1CC2(C1)CCC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001279433369 1043107691 /nfs/dbraw/zinc/10/76/91/1043107691.db2.gz RTEHESRCPWDATC-UHFFFAOYSA-N 1 0 368.905 2.872 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001237490593 1043204249 /nfs/dbraw/zinc/20/42/49/1043204249.db2.gz XALPUZWIAKNUTA-NRFANRHFSA-N 1 0 370.449 2.801 20 10 FFCDRO c1cc(N2CCOCC2)ccc1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001279581078 1043288646 /nfs/dbraw/zinc/28/86/46/1043288646.db2.gz UELTYRSIQQLHSA-SIKLNZKXSA-N 1 0 355.526 2.972 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c(O)c(OC)c1 ZINC001237683728 1043309222 /nfs/dbraw/zinc/30/92/22/1043309222.db2.gz JMHJHANNUKTKJV-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(OC)cc(OC)c3O)C2)nc1 ZINC001237684831 1043310893 /nfs/dbraw/zinc/31/08/93/1043310893.db2.gz SECHWWHIUWGSJI-INIZCTEOSA-N 1 0 374.437 2.856 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c1O ZINC001237687319 1043315220 /nfs/dbraw/zinc/31/52/20/1043315220.db2.gz ZIDWXELPMDMRKY-WMZOPIPTSA-N 1 0 371.868 2.839 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c1O ZINC001238061989 1043509358 /nfs/dbraw/zinc/50/93/58/1043509358.db2.gz SAJGLOPSFYZALE-GHTZIAJQSA-N 1 0 354.425 2.945 20 10 FFCDRO COc1ccc(N2CC[C@H]3C[N@H+](Cc4cccc(=O)[nH]4)C[C@H]32)c(OC)c1 ZINC001279759090 1043597457 /nfs/dbraw/zinc/59/74/57/1043597457.db2.gz OKACVJRRASUXDU-KBXCAEBGSA-N 1 0 355.438 2.515 20 10 FFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)cc1F ZINC001279762999 1043604458 /nfs/dbraw/zinc/60/44/58/1043604458.db2.gz UCWAJYPLLVCMLJ-CALCHBBNSA-N 1 0 358.461 2.879 20 10 FFCDRO O=C([C@@H]1CCSC12C[NH+](Cc1ccc(O)cc1O)C2)N1CCCC12CC2 ZINC001279845562 1043763816 /nfs/dbraw/zinc/76/38/16/1043763816.db2.gz LYNQZXFTQMDOBG-INIZCTEOSA-N 1 0 374.506 2.560 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCC(CC(N)=O)CC3)CC2)cc(O)c1O ZINC001279861196 1043787272 /nfs/dbraw/zinc/78/72/72/1043787272.db2.gz XZYNVPQIJFMRGM-UHFFFAOYSA-N 1 0 362.470 2.754 20 10 FFCDRO O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1O)C2)N1CC(F)(C2CC2)C1 ZINC001279970976 1044008782 /nfs/dbraw/zinc/00/87/82/1044008782.db2.gz LFDALSXDROVBAY-HGKCTWBKSA-N 1 0 358.457 2.811 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)c1O ZINC001280028281 1044103718 /nfs/dbraw/zinc/10/37/18/1044103718.db2.gz RCTONCJNEPQHDW-UHFFFAOYSA-N 1 0 358.461 2.634 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N(C)C)c(O)c1 ZINC001280035645 1044113674 /nfs/dbraw/zinc/11/36/74/1044113674.db2.gz VWUDWZUWXYDEQK-XEMDLRDOSA-N 1 0 359.514 2.785 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC001312614447 1044144757 /nfs/dbraw/zinc/14/47/57/1044144757.db2.gz BAEIFOCXBUYTSJ-RTWAWAEBSA-N 1 0 364.493 2.794 20 10 FFCDRO CCN(C(=O)[C@@H]1CCSC12C[NH+](Cc1cc(O)ccc1O)C2)C(C)C ZINC001280083226 1044184901 /nfs/dbraw/zinc/18/49/01/1044184901.db2.gz OYGHIXQCWRQPEF-INIZCTEOSA-N 1 0 364.511 2.662 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2c(O)cccc2F)[NH+](C)C)cc1 ZINC001313393809 1044344144 /nfs/dbraw/zinc/34/41/44/1044344144.db2.gz DXVPSBRDGRQPSV-SFHVURJKSA-N 1 0 374.460 2.699 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](C2CC2)O1 ZINC001313417056 1044350372 /nfs/dbraw/zinc/35/03/72/1044350372.db2.gz QKCYKSQUMCBMBO-XPGWFJOJSA-N 1 0 374.529 2.564 20 10 FFCDRO O=C(NC1CCC(F)CC1)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001280293697 1044561614 /nfs/dbraw/zinc/56/16/14/1044561614.db2.gz YBEANISZUKQZJX-UHFFFAOYSA-N 1 0 350.409 2.941 20 10 FFCDRO CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]2CCCO[C@H]21 ZINC001280293173 1044561825 /nfs/dbraw/zinc/56/18/25/1044561825.db2.gz QXARDHAUKYGCKC-RPVQJOFSSA-N 1 0 364.461 2.673 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc(C(=O)N4CC=CC4)[nH]c3C2)c1O ZINC001280349565 1044639713 /nfs/dbraw/zinc/63/97/13/1044639713.db2.gz LIJBMYRWAAJMJT-UHFFFAOYSA-N 1 0 351.450 2.907 20 10 FFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC001319728289 1045254718 /nfs/dbraw/zinc/25/47/18/1045254718.db2.gz GZWJLCGETJPTFZ-MRXNPFEDSA-N 1 0 354.406 2.515 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC/C=C\C3CC3)cc2F)CC1 ZINC001324594530 1046119015 /nfs/dbraw/zinc/11/90/15/1046119015.db2.gz KHRPREZYXLQADF-ARJAWSKDSA-N 1 0 360.477 2.733 20 10 FFCDRO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)n1 ZINC001324731436 1046192723 /nfs/dbraw/zinc/19/27/23/1046192723.db2.gz LLKOGGHMSJYSEP-QGZVFWFLSA-N 1 0 373.476 2.649 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(N2CCCC2)cc1)[C@H]1COCC12OCCO2 ZINC001326796492 1047092497 /nfs/dbraw/zinc/09/24/97/1047092497.db2.gz HOYQWPBFZIPBDK-LJQANCHMSA-N 1 0 360.498 2.792 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2F)[NH+](C)C)cc1 ZINC001289600545 1047707395 /nfs/dbraw/zinc/70/73/95/1047707395.db2.gz SBVSNHXLFLNYRZ-LJQANCHMSA-N 1 0 361.436 2.992 20 10 FFCDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000734159603 1047750299 /nfs/dbraw/zinc/75/02/99/1047750299.db2.gz SAJIVABOORROTM-MRXNPFEDSA-N 1 0 360.458 2.684 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC([NH2+]C3CCOCC3)CC2)cc1F ZINC001331578999 1048018739 /nfs/dbraw/zinc/01/87/39/1048018739.db2.gz FPZDXZNVBNQKBY-UHFFFAOYSA-N 1 0 353.457 2.764 20 10 FFCDRO CC(C)[NH+]1CCN(CCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001290375148 1048072106 /nfs/dbraw/zinc/07/21/06/1048072106.db2.gz TTYFVPICMDWRTQ-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO CC(C)n1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001333013627 1048671549 /nfs/dbraw/zinc/67/15/49/1048671549.db2.gz ONNWGWZYNNPDIH-GOSISDBHSA-N 1 0 358.490 2.954 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000742411014 1049889767 /nfs/dbraw/zinc/88/97/67/1049889767.db2.gz HUZNJDZFIDTHGK-ASGCWMPDSA-N 1 0 361.442 2.948 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncoc1C1CC[NH2+]CC1 ZINC001341793866 1050406326 /nfs/dbraw/zinc/40/63/26/1050406326.db2.gz BZVOUSDKAZQOGD-UHFFFAOYSA-N 1 0 356.470 2.870 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])Cc1ccc2cc[nH]c2c1 ZINC001340873896 1051206487 /nfs/dbraw/zinc/20/64/87/1051206487.db2.gz VODGZLWPXOZFHO-LJQANCHMSA-N 1 0 350.466 2.729 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CNc3ccccc32)[NH+](C)C)cc1 ZINC001343165375 1051788444 /nfs/dbraw/zinc/78/84/44/1051788444.db2.gz GAKGXYVVJYNJCZ-AZUAARDMSA-N 1 0 352.482 2.681 20 10 FFCDRO C[C@H]1CN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC(C)(C)O1 ZINC001307423073 1052305909 /nfs/dbraw/zinc/30/59/09/1052305909.db2.gz BDSGRYVEZGFJOD-INIZCTEOSA-N 1 0 359.514 2.743 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001345426809 1052439776 /nfs/dbraw/zinc/43/97/76/1052439776.db2.gz LRCSYPFUBBQHOH-AJYUKVHDSA-N 1 0 371.525 2.922 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@]12CCCO2 ZINC001308972055 1052529360 /nfs/dbraw/zinc/52/93/60/1052529360.db2.gz MQEIVJRMDIBZPM-PLACYPQZSA-N 1 0 361.530 2.672 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)COCc3cccs3)C2)cc1 ZINC001335458874 1053376708 /nfs/dbraw/zinc/37/67/08/1053376708.db2.gz DFWULWQYFNNRDM-DOTOQJQBSA-N 1 0 362.495 2.503 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001336000295 1053698326 /nfs/dbraw/zinc/69/83/26/1053698326.db2.gz AXNMIQHOWHKVLC-HNAYVOBHSA-N 1 0 357.410 2.505 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001336081906 1053755845 /nfs/dbraw/zinc/75/58/45/1053755845.db2.gz GWSHWAFMWUNELZ-NILFDRSVSA-N 1 0 358.408 2.735 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@H](O)C2CC2)NC(=O)OC(C)(C)C)cc1 ZINC001336733425 1054175074 /nfs/dbraw/zinc/17/50/74/1054175074.db2.gz QLCXRPZWEOYHSJ-MSOLQXFVSA-N 1 0 363.502 2.679 20 10 FFCDRO C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001337070338 1054455479 /nfs/dbraw/zinc/45/54/79/1054455479.db2.gz NEUNIGHZZSWNDI-QGZVFWFLSA-N 1 0 352.482 2.932 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(C3(C(=O)OC)CCC3)CC2)cc1 ZINC001356062120 1055255136 /nfs/dbraw/zinc/25/51/36/1055255136.db2.gz LYHLFUKFXDPULD-UHFFFAOYSA-N 1 0 360.498 2.813 20 10 FFCDRO CCc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000848888354 1055308000 /nfs/dbraw/zinc/30/80/00/1055308000.db2.gz RZEXPYLXOQGNEH-UHFFFAOYSA-N 1 0 369.421 2.821 20 10 FFCDRO CCc1cccc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1O ZINC000848900481 1055331414 /nfs/dbraw/zinc/33/14/14/1055331414.db2.gz MALJLOGBMQVHNG-CQSZACIVSA-N 1 0 356.430 3.000 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000847302361 1055431116 /nfs/dbraw/zinc/43/11/16/1055431116.db2.gz HERMNNNBOPAHBI-ICSRJNTNSA-N 1 0 356.514 2.885 20 10 FFCDRO CN(C)c1ccc(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)cc1F ZINC000849067398 1055623001 /nfs/dbraw/zinc/62/30/01/1055623001.db2.gz BHLVEUUWWSKZDK-UHFFFAOYSA-N 1 0 373.451 2.877 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000849349297 1056835378 /nfs/dbraw/zinc/83/53/78/1056835378.db2.gz ZIJLMHCVZLRVTI-HZPDHXFCSA-N 1 0 361.486 2.873 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000849349298 1056835437 /nfs/dbraw/zinc/83/54/37/1056835437.db2.gz ZIJLMHCVZLRVTI-JKSUJKDBSA-N 1 0 361.486 2.873 20 10 FFCDRO C[N@@H+]1CC[C@@H]2CN(c3nnc(C4SC=CC4=O)n3CC3CC3)CC[C@@H]21 ZINC001520579940 1059827948 /nfs/dbraw/zinc/82/79/48/1059827948.db2.gz BNWRVIAJOLZPTH-KGLIPLIRSA-N 1 0 359.499 2.653 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c(Cl)ccnc2F)[NH+](C)C)cc1 ZINC001520807880 1060100533 /nfs/dbraw/zinc/10/05/33/1060100533.db2.gz CSXQRWPHBJROMD-HNNXBMFYSA-N 1 0 364.852 2.973 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000848517727 1060207236 /nfs/dbraw/zinc/20/72/36/1060207236.db2.gz HUHCFCPPHLDNNE-HXUWFJFHSA-N 1 0 369.513 2.529 20 10 FFCDRO CNc1nc(C)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001456931893 1060232465 /nfs/dbraw/zinc/23/24/65/1060232465.db2.gz KUGAIBTZACPJJO-SFHVURJKSA-N 1 0 355.486 2.530 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC3(C4CC[NH2+]CC4)CC3)cs2)cc1 ZINC001355464314 1060260286 /nfs/dbraw/zinc/26/02/86/1060260286.db2.gz PUQPBUMIYUDIQN-UHFFFAOYSA-N 1 0 356.495 2.578 20 10 FFCDRO CCCCO[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001460081209 1060890808 /nfs/dbraw/zinc/89/08/08/1060890808.db2.gz XAJRQRIPNMFCOG-MOPGFXCFSA-N 1 0 361.530 2.942 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC[NH2+]1 ZINC001521554874 1060961083 /nfs/dbraw/zinc/96/10/83/1060961083.db2.gz LSDRBEKUCWFDRS-YVWKXTFCSA-N 1 0 359.514 2.648 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC001461028200 1061191546 /nfs/dbraw/zinc/19/15/46/1061191546.db2.gz PURFKNZERKANMB-UHFFFAOYSA-N 1 0 370.335 2.579 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)nc(C)c3)CC2)cc1 ZINC001461115746 1061215580 /nfs/dbraw/zinc/21/55/80/1061215580.db2.gz URLMYWULVCUKIM-UHFFFAOYSA-N 1 0 354.498 2.619 20 10 FFCDRO CNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC001461435384 1061317072 /nfs/dbraw/zinc/31/70/72/1061317072.db2.gz AKCMCAVEIAJPQU-NRFANRHFSA-N 1 0 367.493 2.611 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1Cn1cccn1 ZINC001461609761 1061362781 /nfs/dbraw/zinc/36/27/81/1061362781.db2.gz SWBWGAVDLRKSHP-OKZBNKHCSA-N 1 0 372.513 2.527 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C4CC4)CC3)cc2)CC1 ZINC001479185944 1062277027 /nfs/dbraw/zinc/27/70/27/1062277027.db2.gz WZCMRJSHKVVMSE-UHFFFAOYSA-N 1 0 356.514 2.770 20 10 FFCDRO Cc1ccc(F)c(N)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001472280642 1064997768 /nfs/dbraw/zinc/99/77/68/1064997768.db2.gz IHQMBICCFUJVIC-QGZVFWFLSA-N 1 0 358.461 2.815 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)NC)ccc1OC ZINC001474111762 1065458913 /nfs/dbraw/zinc/45/89/13/1065458913.db2.gz IKROKAUGKCOHNM-LJQANCHMSA-N 1 0 356.466 2.679 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)cc1OC ZINC001474351455 1065499646 /nfs/dbraw/zinc/49/96/46/1065499646.db2.gz VXMLJDQMRHFERN-QGZVFWFLSA-N 1 0 370.449 2.804 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)c1O ZINC001474726226 1065590936 /nfs/dbraw/zinc/59/09/36/1065590936.db2.gz PJRKBAXBNILOTF-HZPDHXFCSA-N 1 0 350.459 2.679 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC001577951331 1078414780 /nfs/dbraw/zinc/41/47/80/1078414780.db2.gz LQUWGOGMOFOQNG-AWEZNQCLSA-N 1 0 356.422 2.617 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)c2ccc3c(n2)C[NH2+]CC3)C2CC2)cc1 ZINC001578425596 1078473185 /nfs/dbraw/zinc/47/31/85/1078473185.db2.gz HLUDEWCDJUVNGF-UHFFFAOYSA-N 1 0 350.466 2.598 20 10 FFCDRO Cc1cc(CCNC(=O)C[C@@H]2CSCC[NH2+]2)c(C)n1-c1ccccc1 ZINC001579592943 1078646673 /nfs/dbraw/zinc/64/66/73/1078646673.db2.gz NXGXKELEKIORGZ-GOSISDBHSA-N 1 0 357.523 2.848 20 10 FFCDRO [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001580388423 1078796135 /nfs/dbraw/zinc/79/61/35/1078796135.db2.gz BPIVZNUPDAXHDJ-UONOGXRCSA-N 1 0 350.426 2.645 20 10 FFCDRO Oc1ccccc1CN(Cc1nc2c(s1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC001580887991 1078886561 /nfs/dbraw/zinc/88/65/61/1078886561.db2.gz CIWABXJIWLSWCU-HNNXBMFYSA-N 1 0 359.495 2.676 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CN(C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001558723790 1076063624 /nfs/dbraw/zinc/06/36/24/1076063624.db2.gz VMWIDNNSTMDKFG-OAQYLSRUSA-N 1 0 368.525 2.604 20 10 FFCDRO CC(C)C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1ccnc1 ZINC001558722722 1076063784 /nfs/dbraw/zinc/06/37/84/1076063784.db2.gz ACICGQZSODHPDT-WOJBJXKFSA-N 1 0 371.529 2.955 20 10 FFCDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC001560074870 1076221643 /nfs/dbraw/zinc/22/16/43/1076221643.db2.gz JHXWWJZAHRNWBW-LBPRGKRZSA-N 1 0 359.382 2.988 20 10 FFCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 ZINC001560422509 1076272638 /nfs/dbraw/zinc/27/26/38/1076272638.db2.gz SNPBAFZMAJLFAR-SFTDATJTSA-N 1 0 352.478 2.736 20 10 FFCDRO Cc1ccccc1CN1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001560562621 1076280166 /nfs/dbraw/zinc/28/01/66/1076280166.db2.gz CAYGICRTUISSIB-NRFANRHFSA-N 1 0 352.478 2.921 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)CC[NH+](C)C)CCCC1 ZINC001565611016 1076746219 /nfs/dbraw/zinc/74/62/19/1076746219.db2.gz QNFPPKHVJZVLHQ-HNNXBMFYSA-N 1 0 357.498 2.985 20 10 FFCDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)C1 ZINC001587260498 1079763786 /nfs/dbraw/zinc/76/37/86/1079763786.db2.gz ZZIUQWXHXJWRKK-OAHLLOKOSA-N 1 0 370.449 3.000 20 10 FFCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)nn1 ZINC000375170368 512195060 /nfs/dbraw/zinc/19/50/60/512195060.db2.gz FGNANIAMLYBMES-OAHLLOKOSA-N 1 0 366.421 2.761 20 10 FFCDRO CCC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccccc1O ZINC000069009963 507379985 /nfs/dbraw/zinc/37/99/85/507379985.db2.gz VIUCRIKNTQCBAO-UHFFFAOYSA-N 1 0 353.422 2.590 20 10 FFCDRO CN(Cc1cccs1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124018 507698862 /nfs/dbraw/zinc/69/88/62/507698862.db2.gz DLPCTJABPUGCHX-UHFFFAOYSA-N 1 0 373.522 2.675 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052004031 507793358 /nfs/dbraw/zinc/79/33/58/507793358.db2.gz UIFCXQNHUOOVRK-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO COc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1O ZINC000073539415 507929102 /nfs/dbraw/zinc/92/91/02/507929102.db2.gz ROOJJECQLDSBNS-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159475 508087100 /nfs/dbraw/zinc/08/71/00/508087100.db2.gz MNBVQUOMQWMHGB-FQEVSTJZSA-N 1 0 360.498 2.680 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCN(CCc2ccccn2)CC1 ZINC000092645345 508089607 /nfs/dbraw/zinc/08/96/07/508089607.db2.gz JNXOXZGULFYJDC-UHFFFAOYSA-N 1 0 369.465 2.655 20 10 FFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000093613084 508149948 /nfs/dbraw/zinc/14/99/48/508149948.db2.gz BDGMETXGKCYEMG-CVEARBPZSA-N 1 0 370.287 2.907 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000128915606 508659283 /nfs/dbraw/zinc/65/92/83/508659283.db2.gz LNMWZJQLXOCJEV-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2)CC1 ZINC000158949415 508772791 /nfs/dbraw/zinc/77/27/91/508772791.db2.gz GPMBKLMTRCPSBB-UHFFFAOYSA-N 1 0 369.465 2.558 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163502767 509384942 /nfs/dbraw/zinc/38/49/42/509384942.db2.gz WAZFDMAWZXUECA-MRXNPFEDSA-N 1 0 363.477 2.716 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000267226697 509401263 /nfs/dbraw/zinc/40/12/63/509401263.db2.gz KBJZGEMOAOLMRK-IBGZPJMESA-N 1 0 371.525 2.794 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189152318 509438237 /nfs/dbraw/zinc/43/82/37/509438237.db2.gz PVWZIKUPDDHRRW-HXUWFJFHSA-N 1 0 359.514 2.602 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000186030389 509489140 /nfs/dbraw/zinc/48/91/40/509489140.db2.gz YISOODCKGMBPJI-VHSXEESVSA-N 1 0 350.278 2.629 20 10 FFCDRO CNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182968970 509523379 /nfs/dbraw/zinc/52/33/79/509523379.db2.gz AJPABWLOFJATAE-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000264464934 509543513 /nfs/dbraw/zinc/54/35/13/509543513.db2.gz SKSJSWWCWKVIAM-OAHLLOKOSA-N 1 0 372.488 2.599 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)c1 ZINC000237076545 509565665 /nfs/dbraw/zinc/56/56/65/509565665.db2.gz UQGHHJFHFUTJQW-SFHVURJKSA-N 1 0 360.454 2.855 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000176680432 509637911 /nfs/dbraw/zinc/63/79/11/509637911.db2.gz LUGKJVUTHINYOK-HNNXBMFYSA-N 1 0 353.422 2.507 20 10 FFCDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000264691071 509649765 /nfs/dbraw/zinc/64/97/65/509649765.db2.gz HJUWHMDWKZHSBW-CYBMUJFWSA-N 1 0 371.437 2.818 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000179875164 509656226 /nfs/dbraw/zinc/65/62/26/509656226.db2.gz DMRHSQNTDSWCGM-UHFFFAOYSA-N 1 0 372.440 2.817 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1O ZINC000186375665 509677395 /nfs/dbraw/zinc/67/73/95/509677395.db2.gz JQEWJWDGSFEZPL-WCQYABFASA-N 1 0 372.259 2.727 20 10 FFCDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Cc3ccc(N)cc3)CC2)C[C@H](C)O1 ZINC000237606025 509688290 /nfs/dbraw/zinc/68/82/90/509688290.db2.gz SURLKKVHFVRXSA-IRXDYDNUSA-N 1 0 359.514 2.549 20 10 FFCDRO COc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1O ZINC000269134440 510252255 /nfs/dbraw/zinc/25/22/55/510252255.db2.gz JFJWYPRMZANKON-UHFFFAOYSA-N 1 0 356.470 2.938 20 10 FFCDRO Cn1cc(-c2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)on2)cn1 ZINC000185032890 510646235 /nfs/dbraw/zinc/64/62/35/510646235.db2.gz TUVQOKFWLKQFBP-QGZVFWFLSA-N 1 0 368.437 2.962 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185123208 510698053 /nfs/dbraw/zinc/69/80/53/510698053.db2.gz SREVSRSIZALARP-RYUDHWBXSA-N 1 0 352.431 2.851 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(C)cc1)cc2=O ZINC000182325068 510850738 /nfs/dbraw/zinc/85/07/38/510850738.db2.gz KECNYOBLSXGGGI-ZDUSSCGKSA-N 1 0 354.410 2.771 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1O ZINC000270602266 510920333 /nfs/dbraw/zinc/92/03/33/510920333.db2.gz AWCFOUAEKLGRIS-QAPCUYQASA-N 1 0 362.376 2.741 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000276971047 510951272 /nfs/dbraw/zinc/95/12/72/510951272.db2.gz FJCIWICMVNITED-UHFFFAOYSA-N 1 0 363.259 2.703 20 10 FFCDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278192344 510985529 /nfs/dbraw/zinc/98/55/29/510985529.db2.gz IDPIMFREGFIULQ-UHFFFAOYSA-N 1 0 360.366 2.728 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000294204580 510990179 /nfs/dbraw/zinc/99/01/79/510990179.db2.gz VXLCRMACXMXNJV-BXUZGUMPSA-N 1 0 355.276 2.878 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278513779 510995999 /nfs/dbraw/zinc/99/59/99/510995999.db2.gz QGDJTDOWQDANNC-BBRMVZONSA-N 1 0 360.410 2.953 20 10 FFCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(Br)cc1O ZINC000278804091 511007713 /nfs/dbraw/zinc/00/77/13/511007713.db2.gz RKVWWGHYAOCUHN-LBPRGKRZSA-N 1 0 355.276 2.670 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000282663693 511065945 /nfs/dbraw/zinc/06/59/45/511065945.db2.gz IRSIEKNWKDNVRA-CYBMUJFWSA-N 1 0 369.433 2.979 20 10 FFCDRO COc1c(O)c(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000364761630 511068193 /nfs/dbraw/zinc/06/81/93/511068193.db2.gz VWLCKUGQZSILEY-OAHLLOKOSA-N 1 0 371.393 2.513 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1OC ZINC000289222626 511095736 /nfs/dbraw/zinc/09/57/36/511095736.db2.gz ADAAZIGZLZJPAJ-CQSZACIVSA-N 1 0 374.437 2.510 20 10 FFCDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271185542 511111628 /nfs/dbraw/zinc/11/16/28/511111628.db2.gz QCBJFEFMXOSWEA-UHFFFAOYSA-N 1 0 370.405 2.677 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@](C)(O)Cc2ccc(OC)c(OC)c2)c1O ZINC000289826216 511116707 /nfs/dbraw/zinc/11/67/07/511116707.db2.gz NYYWQCBJPAAFCX-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000290090908 511127016 /nfs/dbraw/zinc/12/70/16/511127016.db2.gz HBQJCZOUWDQCPI-HXUWFJFHSA-N 1 0 359.397 2.687 20 10 FFCDRO COCCOC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000294738207 511161588 /nfs/dbraw/zinc/16/15/88/511161588.db2.gz GYUOCPDGMPRVIM-UHFFFAOYSA-N 1 0 362.514 2.979 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000294771286 511171699 /nfs/dbraw/zinc/17/16/99/511171699.db2.gz MXEFUUMMBFMJKW-INIZCTEOSA-N 1 0 364.536 2.909 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1 ZINC000295101943 511282311 /nfs/dbraw/zinc/28/23/11/511282311.db2.gz VAOXDCYBGINCDF-FQEVSTJZSA-N 1 0 354.498 2.882 20 10 FFCDRO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000292216310 511509305 /nfs/dbraw/zinc/50/93/05/511509305.db2.gz ZJLMXAPXRWNWFW-LSDHHAIUSA-N 1 0 367.440 2.905 20 10 FFCDRO Cc1ccc(NC(=O)c2cccc(O)c2O)cc1NC(=O)CC[NH+](C)C ZINC000280572374 511516172 /nfs/dbraw/zinc/51/61/72/511516172.db2.gz VYZUZZQAJKYJRR-UHFFFAOYSA-N 1 0 357.410 2.549 20 10 FFCDRO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1C ZINC000295899797 511549808 /nfs/dbraw/zinc/54/98/08/511549808.db2.gz FCHDNZCKPVSIKB-JXFKEZNVSA-N 1 0 360.498 2.933 20 10 FFCDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000280760334 511591682 /nfs/dbraw/zinc/59/16/82/511591682.db2.gz QNOLXOIMAFTKOO-NRFANRHFSA-N 1 0 367.493 2.520 20 10 FFCDRO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000296039923 511599268 /nfs/dbraw/zinc/59/92/68/511599268.db2.gz QPROFBVHALVQJV-LJQANCHMSA-N 1 0 365.477 2.557 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(Br)cc1O ZINC000363869556 511819558 /nfs/dbraw/zinc/81/95/58/511819558.db2.gz RIYCFSRLGKITOA-DGCLKSJQSA-N 1 0 365.275 2.818 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c(O)c1 ZINC000284811136 511879185 /nfs/dbraw/zinc/87/91/85/511879185.db2.gz LJMUGOVRZBFSRD-SOIKWTOOSA-N 1 0 368.481 2.979 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](OC(=O)N(C)C)C3)cc2)CC1 ZINC000296778770 511894243 /nfs/dbraw/zinc/89/42/43/511894243.db2.gz QCTLFMVVTGKRAF-LJQANCHMSA-N 1 0 361.486 2.574 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(C)cc1O ZINC000366419644 512013856 /nfs/dbraw/zinc/01/38/56/512013856.db2.gz SWFCEABSUIMWOQ-KRWDZBQOSA-N 1 0 352.500 2.698 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccc3OC)CC2)cc1 ZINC000378163302 512620674 /nfs/dbraw/zinc/62/06/74/512620674.db2.gz BXEXTKNZWQHWHT-HXUWFJFHSA-N 1 0 356.466 2.996 20 10 FFCDRO O=C(C[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370809914 513107172 /nfs/dbraw/zinc/10/71/72/513107172.db2.gz KVCVNYCZUFBQNT-XJKSGUPXSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc2c(cc1O)CCCC2 ZINC000527955523 518009951 /nfs/dbraw/zinc/00/99/51/518009951.db2.gz OLWMMFQXEOENQO-KSFYIVLOSA-N 1 0 374.525 2.537 20 10 FFCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2[C@H](C)O)C1 ZINC000618926293 521299557 /nfs/dbraw/zinc/29/95/57/521299557.db2.gz WRAMWBSQHYEMKE-QFBILLFUSA-N 1 0 369.509 2.780 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1-c1nn[nH]n1 ZINC000821794717 607387635 /nfs/dbraw/zinc/38/76/35/607387635.db2.gz KWLCDKYWFFNJDX-UHFFFAOYSA-N 1 0 352.442 2.573 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1F ZINC000159838041 728913268 /nfs/dbraw/zinc/91/32/68/728913268.db2.gz FYNVVHPMKHKWQG-UHFFFAOYSA-N 1 0 350.482 2.909 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@]23CCC[C@@]2(OCCOC)OCC3)c1 ZINC000898001061 735302357 /nfs/dbraw/zinc/30/23/57/735302357.db2.gz HVQGQZXGCFNOGX-OALUTQOASA-N 1 0 351.443 2.583 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000898175987 735322684 /nfs/dbraw/zinc/32/26/84/735322684.db2.gz ZTSQAPCVDWMLFO-CZUORRHYSA-N 1 0 361.515 2.872 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Cl)C2)c1Cl ZINC000898363898 735346137 /nfs/dbraw/zinc/34/61/37/735346137.db2.gz FSZCGXXBXRGYKQ-SECBINFHSA-N 1 0 355.225 2.563 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)c1Cl ZINC000898365309 735346810 /nfs/dbraw/zinc/34/68/10/735346810.db2.gz ZDAXTOOOIAOWTG-LLVKDONJSA-N 1 0 355.225 2.563 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000898399099 735355417 /nfs/dbraw/zinc/35/54/17/735355417.db2.gz OLSLRECIZYODPG-VWLOTQADSA-N 1 0 366.575 2.847 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@H](CF)C2)[NH+](C)C)cc1 ZINC000899098027 735446993 /nfs/dbraw/zinc/44/69/93/735446993.db2.gz KQTULNLVLZWYPR-QAPCUYQASA-N 1 0 350.482 2.746 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000066978977 728179451 /nfs/dbraw/zinc/17/94/51/728179451.db2.gz UMPBUSAZIPMATI-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000093085730 728473969 /nfs/dbraw/zinc/47/39/69/728473969.db2.gz PLFRCSIUAIYFRC-UHFFFAOYSA-N 1 0 367.243 2.553 20 10 FFCDRO CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119465212 728594887 /nfs/dbraw/zinc/59/48/87/728594887.db2.gz UXNBMVZCIGRBOL-CYBMUJFWSA-N 1 0 364.467 2.631 20 10 FFCDRO CC(C)OCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268960 728729413 /nfs/dbraw/zinc/72/94/13/728729413.db2.gz XHLHRDQGCGJMRA-MRXNPFEDSA-N 1 0 354.878 2.941 20 10 FFCDRO CC[C@H](C)N(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000171751365 729011883 /nfs/dbraw/zinc/01/18/83/729011883.db2.gz VRZKPDHENBVJNO-HNNXBMFYSA-N 1 0 350.482 2.908 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000179367007 729184864 /nfs/dbraw/zinc/18/48/64/729184864.db2.gz AGAMSMIQVGVUPO-NSHDSACASA-N 1 0 372.259 2.748 20 10 FFCDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180519418 729217350 /nfs/dbraw/zinc/21/73/50/729217350.db2.gz JGNZJXXLPOMRQE-UHFFFAOYSA-N 1 0 366.458 2.850 20 10 FFCDRO C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183071319 729294916 /nfs/dbraw/zinc/29/49/16/729294916.db2.gz RXIMLGBDXPOPII-HNNXBMFYSA-N 1 0 363.479 2.836 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1O ZINC000185292152 729346104 /nfs/dbraw/zinc/34/61/04/729346104.db2.gz ZJDFVVYCERZSBQ-ZDUSSCGKSA-N 1 0 364.442 2.922 20 10 FFCDRO CCN(CCC[NH2+][C@H](C)c1ccc2ccccc2c1O)S(C)(=O)=O ZINC000194187736 729502224 /nfs/dbraw/zinc/50/22/24/729502224.db2.gz ZGTUNBGJLFLYNP-CQSZACIVSA-N 1 0 350.484 2.868 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@]12CCCO2 ZINC000759170318 736552706 /nfs/dbraw/zinc/55/27/06/736552706.db2.gz AUHLBVBFLLAZBH-ARFHVFGLSA-N 1 0 356.260 2.971 20 10 FFCDRO C[C@H]1CN(CCC[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858090636 730416303 /nfs/dbraw/zinc/41/63/03/730416303.db2.gz PHIRRFKJQIOSCB-STQMWFEESA-N 1 0 357.292 2.744 20 10 FFCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2c(O)cccc2Br)C1(C)C ZINC000858158285 730418165 /nfs/dbraw/zinc/41/81/65/730418165.db2.gz DPSUXIKRFBLZGK-GDBMZVCRSA-N 1 0 358.276 2.810 20 10 FFCDRO CCO[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241086 730492991 /nfs/dbraw/zinc/49/29/91/730492991.db2.gz GPTPQQFYHZIAMO-AEFFLSMTSA-N 1 0 366.889 2.941 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1F ZINC000862221906 730677809 /nfs/dbraw/zinc/67/78/09/730677809.db2.gz JSOLIYLENGSBHH-CQSZACIVSA-N 1 0 351.441 2.769 20 10 FFCDRO O=C([C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1)N1CCCC1 ZINC000862369874 730693273 /nfs/dbraw/zinc/69/32/73/730693273.db2.gz YISJXLKQVWZGFR-GFCCVEGCSA-N 1 0 353.260 2.599 20 10 FFCDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862418475 730699667 /nfs/dbraw/zinc/69/96/67/730699667.db2.gz JWMDTGXYOWKKFW-GFCCVEGCSA-N 1 0 353.260 2.599 20 10 FFCDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862419046 730699715 /nfs/dbraw/zinc/69/97/15/730699715.db2.gz VBDZGTCZYKGNPI-LBPRGKRZSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000862547174 730708292 /nfs/dbraw/zinc/70/82/92/730708292.db2.gz WZBWIXGBXOFFTK-CYBMUJFWSA-N 1 0 352.431 2.508 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(N)=O)ccc3Cl)cc2)CC1 ZINC000863986935 730819494 /nfs/dbraw/zinc/81/94/94/730819494.db2.gz LKAHUBRLTFCOOP-UHFFFAOYSA-N 1 0 358.873 2.803 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H](O)C(F)(F)F ZINC000866463590 731063341 /nfs/dbraw/zinc/06/33/41/731063341.db2.gz BXKMNTZIDAIAQG-FIXISWKDSA-N 1 0 350.356 2.625 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000866579744 731076364 /nfs/dbraw/zinc/07/63/64/731076364.db2.gz ZMHDXZSLUSBSNE-OAHLLOKOSA-N 1 0 361.511 2.554 20 10 FFCDRO FC(F)(F)C(F)(F)OCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000873159255 731882208 /nfs/dbraw/zinc/88/22/08/731882208.db2.gz HGIFQZJHFNINBU-UHFFFAOYSA-N 1 0 354.319 2.785 20 10 FFCDRO COCCc1ncc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000876550692 732256262 /nfs/dbraw/zinc/25/62/62/732256262.db2.gz BIMRDDPIEXLHBS-UHFFFAOYSA-N 1 0 361.511 2.801 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnc(N)nc3N)cc2Cl)C1 ZINC000877497818 732373129 /nfs/dbraw/zinc/37/31/29/732373129.db2.gz CLNOIOFSVYRMMP-GFCCVEGCSA-N 1 0 360.893 2.821 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000877536355 732383146 /nfs/dbraw/zinc/38/31/46/732383146.db2.gz ZTJCULLTRFFJJD-OAHLLOKOSA-N 1 0 354.516 2.583 20 10 FFCDRO OCCC1(CCO)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000877691597 732414955 /nfs/dbraw/zinc/41/49/55/732414955.db2.gz MJHKJDPSUQCVLP-UHFFFAOYSA-N 1 0 358.276 2.502 20 10 FFCDRO CONC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000877785810 732430412 /nfs/dbraw/zinc/43/04/12/732430412.db2.gz HVDUBFLKIGJMMQ-UHFFFAOYSA-N 1 0 359.392 2.661 20 10 FFCDRO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877799278 732435085 /nfs/dbraw/zinc/43/50/85/732435085.db2.gz LQKPGPUYBVERCZ-KBRIMQKVSA-N 1 0 366.889 2.677 20 10 FFCDRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000879651401 732742609 /nfs/dbraw/zinc/74/26/09/732742609.db2.gz UGAUPXGLOITCQM-FZMZJTMJSA-N 1 0 360.435 2.696 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccsc3)cc2)CC1 ZINC000883123629 733338845 /nfs/dbraw/zinc/33/88/45/733338845.db2.gz FICGJGGKOCELSW-UHFFFAOYSA-N 1 0 358.511 2.542 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)cc1F ZINC000726249386 734415539 /nfs/dbraw/zinc/41/55/39/734415539.db2.gz DVJILDZBSCBRSK-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)[NH+](C)C)cc1 ZINC000891566396 734446604 /nfs/dbraw/zinc/44/66/04/734446604.db2.gz NRYPUUSOHRBQJV-DZGCQCFKSA-N 1 0 373.328 2.848 20 10 FFCDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892151207 734522387 /nfs/dbraw/zinc/52/23/87/734522387.db2.gz QEJPORLHQPEVHN-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO COc1cc(Br)cc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC000728300051 734522858 /nfs/dbraw/zinc/52/28/58/734522858.db2.gz VJSNJHJXALAWBL-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)C[C@H](C)O1 ZINC000731869065 734702046 /nfs/dbraw/zinc/70/20/46/734702046.db2.gz KALCWPXNPVYZFN-OKILXGFUSA-N 1 0 360.479 2.993 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000895666611 735038236 /nfs/dbraw/zinc/03/82/36/735038236.db2.gz PBGWWWQFRFWDER-LBPRGKRZSA-N 1 0 354.447 2.754 20 10 FFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@@H]1CCCOC1 ZINC000895853322 735064645 /nfs/dbraw/zinc/06/46/45/735064645.db2.gz DZKNJUAIXRDPPW-DOMZBBRYSA-N 1 0 358.276 2.994 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896396653 735152907 /nfs/dbraw/zinc/15/29/07/735152907.db2.gz QLWWTOOCXIPHSI-YVEFUNNKSA-N 1 0 354.834 2.765 20 10 FFCDRO CCn1cc(NC(=S)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000899723876 735547921 /nfs/dbraw/zinc/54/79/21/735547921.db2.gz FMSRUHNXWROMOH-KRWDZBQOSA-N 1 0 360.531 2.558 20 10 FFCDRO Cc1cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000748071494 735614835 /nfs/dbraw/zinc/61/48/35/735614835.db2.gz FPBXQUYSUGCVFJ-UHFFFAOYSA-N 1 0 368.543 2.854 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000749972294 735764425 /nfs/dbraw/zinc/76/44/25/735764425.db2.gz NBMDRKRSTOJUNB-ZDUSSCGKSA-N 1 0 350.415 2.562 20 10 FFCDRO O=S1(=O)C[C@H]2C[N@H+](Cc3cc4oc5ccccc5c4cc3O)C[C@H]2C1 ZINC000902615109 735969952 /nfs/dbraw/zinc/96/99/52/735969952.db2.gz BGXFJRGBZGGULM-OKILXGFUSA-N 1 0 357.431 2.768 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000903233822 736063242 /nfs/dbraw/zinc/06/32/42/736063242.db2.gz JHKKPJMTHJFELH-GFCCVEGCSA-N 1 0 352.431 2.680 20 10 FFCDRO COc1cccc(O)c1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000758523522 736497198 /nfs/dbraw/zinc/49/71/98/736497198.db2.gz WDJOWFOEXOOHIQ-UHFFFAOYSA-N 1 0 355.843 2.748 20 10 FFCDRO CCC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CC[N@@H+]1CCOC ZINC000761203906 736707369 /nfs/dbraw/zinc/70/73/69/736707369.db2.gz NCVZFZATSAQROG-MRXNPFEDSA-N 1 0 356.894 2.987 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764792057 737050057 /nfs/dbraw/zinc/05/00/57/737050057.db2.gz SRNFACAXQWYPOD-GFCCVEGCSA-N 1 0 370.291 2.684 20 10 FFCDRO C[C@@H](NC(=O)NCc1cccc(Br)c1O)C(C)(C)C[NH+](C)C ZINC000764798862 737050381 /nfs/dbraw/zinc/05/03/81/737050381.db2.gz WLZFKXWQZGNHNY-LLVKDONJSA-N 1 0 372.307 2.930 20 10 FFCDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000764906295 737061236 /nfs/dbraw/zinc/06/12/36/737061236.db2.gz ZMAUETNBOBISEO-KRWDZBQOSA-N 1 0 367.559 2.999 20 10 FFCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766214372 737208401 /nfs/dbraw/zinc/20/84/01/737208401.db2.gz NVFRCYUTEPFLMB-CRAIPNDOSA-N 1 0 350.528 2.836 20 10 FFCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000767917955 737382143 /nfs/dbraw/zinc/38/21/43/737382143.db2.gz XQDLEBSSPSUYAA-KRWDZBQOSA-N 1 0 350.528 2.980 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000768437571 737422801 /nfs/dbraw/zinc/42/28/01/737422801.db2.gz ABNSSWYCIXGQLA-GOSISDBHSA-N 1 0 367.559 2.827 20 10 FFCDRO COC[C@@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055397 737689807 /nfs/dbraw/zinc/68/98/07/737689807.db2.gz CBKSOGDMISARFF-BBRMVZONSA-N 1 0 354.878 2.799 20 10 FFCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000772978341 737860755 /nfs/dbraw/zinc/86/07/55/737860755.db2.gz MIYXYOSRAGEQDJ-MRXNPFEDSA-N 1 0 353.532 2.657 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1O ZINC000775499662 738097193 /nfs/dbraw/zinc/09/71/93/738097193.db2.gz SWPZPRNTFPAYKK-WFASDCNBSA-N 1 0 357.292 2.916 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000922417773 738141761 /nfs/dbraw/zinc/14/17/61/738141761.db2.gz NVTIZDGORVCHRN-SNAWJCMRSA-N 1 0 350.528 2.959 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CCc2nnc3ccccn32)c1O ZINC000776173944 738168098 /nfs/dbraw/zinc/16/80/98/738168098.db2.gz QTHTZXCUKKACKL-UHFFFAOYSA-N 1 0 361.243 2.838 20 10 FFCDRO FC(F)(F)CN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922711802 738190189 /nfs/dbraw/zinc/19/01/89/738190189.db2.gz WXVXPHUERNXVCO-QGZVFWFLSA-N 1 0 357.420 2.640 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000922739726 738194424 /nfs/dbraw/zinc/19/44/24/738194424.db2.gz SVRTYGZWPDXYSM-UHFFFAOYSA-N 1 0 366.449 2.932 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777221073 738273189 /nfs/dbraw/zinc/27/31/89/738273189.db2.gz YUOWUFZJVVDALV-SNVBAGLBSA-N 1 0 373.291 2.898 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929755588 739018860 /nfs/dbraw/zinc/01/88/60/739018860.db2.gz PWIYRFYUYVSYPT-DUVNUKRYSA-N 1 0 356.260 2.781 20 10 FFCDRO COCC[N@H+](Cc1scnc1C)Cc1ccc(N2CCOCC2)cc1 ZINC000787304198 739125018 /nfs/dbraw/zinc/12/50/18/739125018.db2.gz RSCMVZLPINDONW-UHFFFAOYSA-N 1 0 361.511 2.937 20 10 FFCDRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000789362699 739342378 /nfs/dbraw/zinc/34/23/78/739342378.db2.gz QQRNDTUHYCQJLV-KRWDZBQOSA-N 1 0 368.543 2.779 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000932093521 739385305 /nfs/dbraw/zinc/38/53/05/739385305.db2.gz LRTQMLFDECNAAT-GOSISDBHSA-N 1 0 366.845 2.959 20 10 FFCDRO C[C@@H]1OCC[C@@]12CN(Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932271 739515441 /nfs/dbraw/zinc/51/54/41/739515441.db2.gz NFIJIWYVKZLOJY-BFQNTYOBSA-N 1 0 356.260 2.923 20 10 FFCDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792835366 739711716 /nfs/dbraw/zinc/71/17/16/739711716.db2.gz XMOAMMHJZAHYDX-HNNXBMFYSA-N 1 0 359.436 2.660 20 10 FFCDRO O=C(C[C@H]1CCCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689154 739804911 /nfs/dbraw/zinc/80/49/11/739804911.db2.gz KMPGBVVFYADGNC-PBHICJAKSA-N 1 0 366.889 2.943 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)N(C)C)Cc1ccccc1O ZINC000795969850 740086131 /nfs/dbraw/zinc/08/61/31/740086131.db2.gz RCKBDQNGXHPBTG-INIZCTEOSA-N 1 0 362.495 2.847 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1F ZINC000796510353 740148811 /nfs/dbraw/zinc/14/88/11/740148811.db2.gz NQXXSGOPEXPHRU-MRXNPFEDSA-N 1 0 371.522 2.576 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796516766 740149364 /nfs/dbraw/zinc/14/93/64/740149364.db2.gz NLWMQPQSHRKTRG-KRWDZBQOSA-N 1 0 359.436 2.886 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000797070261 740209306 /nfs/dbraw/zinc/20/93/06/740209306.db2.gz KAHNSIWKTLWNPK-ZJUUUORDSA-N 1 0 362.289 2.771 20 10 FFCDRO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800863006 740558291 /nfs/dbraw/zinc/55/82/91/740558291.db2.gz DNWFELSYGNJOAL-OKILXGFUSA-N 1 0 364.239 2.908 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000808445361 741226445 /nfs/dbraw/zinc/22/64/45/741226445.db2.gz VZJHYYGMDXEGRP-MAZHCROVSA-N 1 0 367.287 2.891 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000808706429 741254316 /nfs/dbraw/zinc/25/43/16/741254316.db2.gz JZJBOUQQZZGZSP-BLLLJJGKSA-N 1 0 352.862 2.785 20 10 FFCDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000809688635 741331686 /nfs/dbraw/zinc/33/16/86/741331686.db2.gz NLRAISQZHAEBER-LJQANCHMSA-N 1 0 365.543 2.533 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000809720521 741336285 /nfs/dbraw/zinc/33/62/85/741336285.db2.gz CWSQEEQRARHPLR-ZJUUUORDSA-N 1 0 352.435 2.698 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@@H]1n1cccn1 ZINC000815167138 741908113 /nfs/dbraw/zinc/90/81/13/741908113.db2.gz SDJBVPAMKAWNHQ-BMFZPTHFSA-N 1 0 366.259 2.860 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c(O)c1 ZINC000815566810 741945687 /nfs/dbraw/zinc/94/56/87/741945687.db2.gz GJHDZFJAZVQXMT-INIZCTEOSA-N 1 0 362.495 2.779 20 10 FFCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000815639883 741949656 /nfs/dbraw/zinc/94/96/56/741949656.db2.gz JZVFCDGUGCASCM-AWEZNQCLSA-N 1 0 363.893 2.589 20 10 FFCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000815639884 741949696 /nfs/dbraw/zinc/94/96/96/741949696.db2.gz JZVFCDGUGCASCM-CQSZACIVSA-N 1 0 363.893 2.589 20 10 FFCDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816608660 742046551 /nfs/dbraw/zinc/04/65/51/742046551.db2.gz GGHROYBAHQFRJU-YJBOKZPZSA-N 1 0 362.495 2.743 20 10 FFCDRO C[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2Cl)C1 ZINC000819291048 742369214 /nfs/dbraw/zinc/36/92/14/742369214.db2.gz PZQZJIJPBNBAKM-DOTOQJQBSA-N 1 0 362.905 2.924 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000824644979 743122446 /nfs/dbraw/zinc/12/24/46/743122446.db2.gz VRDOHUWTRAWEGV-VXGBXAGGSA-N 1 0 354.447 2.801 20 10 FFCDRO O=C(N1C[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000824827299 743156744 /nfs/dbraw/zinc/15/67/44/743156744.db2.gz BJPGLAWDBMIVFO-GHMZBOCLSA-N 1 0 362.779 2.888 20 10 FFCDRO CCN(CC)c1ccc(CN2CCC[C@H](NC(=O)N(C)C)C2)cc1F ZINC000825278805 743239737 /nfs/dbraw/zinc/23/97/37/743239737.db2.gz JBNRIXCKTDPGTH-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000825352439 743255232 /nfs/dbraw/zinc/25/52/32/743255232.db2.gz HFBFGAPHIMNAGJ-AWEZNQCLSA-N 1 0 356.260 2.973 20 10 FFCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825375338 743258204 /nfs/dbraw/zinc/25/82/04/743258204.db2.gz LQXTYLKBJFBZAZ-OAHLLOKOSA-N 1 0 354.219 2.987 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825550052 743292128 /nfs/dbraw/zinc/29/21/28/743292128.db2.gz WJXFEWUIGMMPDC-ZIAGYGMSSA-N 1 0 372.259 2.697 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC000825943887 743346686 /nfs/dbraw/zinc/34/66/86/743346686.db2.gz LRYPYSIBJPTYQP-IMJJTQAJSA-N 1 0 367.287 2.891 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)CO2 ZINC000827066912 743498625 /nfs/dbraw/zinc/49/86/25/743498625.db2.gz VWCABXXKPUUSAF-CQSZACIVSA-N 1 0 368.861 2.914 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1OC ZINC000827839554 744988107 /nfs/dbraw/zinc/98/81/07/744988107.db2.gz VAJHICBNABHKMD-CQSZACIVSA-N 1 0 357.328 2.650 20 10 FFCDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCCSc1nccs1 ZINC000831138275 745488620 /nfs/dbraw/zinc/48/86/20/745488620.db2.gz PQHIQDOPTFOLFE-OAHLLOKOSA-N 1 0 362.524 2.893 20 10 FFCDRO COCCOC1(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000834856195 745915174 /nfs/dbraw/zinc/91/51/74/745915174.db2.gz LWUOQWKZXKNBMS-UKRRQHHQSA-N 1 0 353.434 2.881 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000835081253 745946916 /nfs/dbraw/zinc/94/69/16/745946916.db2.gz DZSCFWRMKZAVQB-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO CC[N@@H+]1CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000839144705 746787388 /nfs/dbraw/zinc/78/73/88/746787388.db2.gz JRKPGYMCMFAHKT-KDOFPFPSSA-N 1 0 353.457 2.621 20 10 FFCDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1O ZINC000840782032 747182044 /nfs/dbraw/zinc/18/20/44/747182044.db2.gz ZZKZEFPTIYMNEU-QGZVFWFLSA-N 1 0 368.905 2.968 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c(Cl)c1 ZINC000840895976 747217609 /nfs/dbraw/zinc/21/76/09/747217609.db2.gz CCNDEKUKOSMFEN-ZDUSSCGKSA-N 1 0 359.857 2.821 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000840907673 747221075 /nfs/dbraw/zinc/22/10/75/747221075.db2.gz OXVKVMQSQJQJSX-UHFFFAOYSA-N 1 0 374.915 2.826 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840909431 747221751 /nfs/dbraw/zinc/22/17/51/747221751.db2.gz BLONNHZQXHONJJ-UHFFFAOYSA-N 1 0 360.907 2.648 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c(Cl)c1 ZINC000840917122 747224914 /nfs/dbraw/zinc/22/49/14/747224914.db2.gz GVGDEWFLKDDROE-UHFFFAOYSA-N 1 0 359.857 2.775 20 10 FFCDRO O=[N+]([O-])c1cc(CN[C@H]2C[NH2+]CCC2(F)F)ccc1N1CCCCC1 ZINC000841082215 747265829 /nfs/dbraw/zinc/26/58/29/747265829.db2.gz XCPOEUPQOODISX-INIZCTEOSA-N 1 0 354.401 2.672 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841758618 747451915 /nfs/dbraw/zinc/45/19/15/747451915.db2.gz UDCGDIZMDJYQFZ-HZMBPMFUSA-N 1 0 352.784 2.959 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841938514 747489351 /nfs/dbraw/zinc/48/93/51/747489351.db2.gz NDBYRKYTJDIYFI-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000842724469 747669786 /nfs/dbraw/zinc/66/97/86/747669786.db2.gz XDHLBVJLBFKMDX-GFCCVEGCSA-N 1 0 367.854 2.679 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1 ZINC000842882686 747713042 /nfs/dbraw/zinc/71/30/42/747713042.db2.gz CQXKWZJMIQJWOL-HUUCEWRRSA-N 1 0 361.463 2.895 20 10 FFCDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843125418 747777586 /nfs/dbraw/zinc/77/75/86/747777586.db2.gz WCCWIAOHLWBRNU-GOSISDBHSA-N 1 0 350.438 2.719 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843455084 747839410 /nfs/dbraw/zinc/83/94/10/747839410.db2.gz HTEYEHXPXMMOJS-JTQLQIEISA-N 1 0 365.275 2.719 20 10 FFCDRO COCC[NH2+]C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000844900278 748130515 /nfs/dbraw/zinc/13/05/15/748130515.db2.gz LQAAADSFTCWWQI-UHFFFAOYSA-N 1 0 357.292 2.664 20 10 FFCDRO CSC1(CNC(=O)NCc2cc(Cl)ccc2O)CC[NH+](C)CC1 ZINC000845204334 748204268 /nfs/dbraw/zinc/20/42/68/748204268.db2.gz CQEOOZQGUQKMLX-UHFFFAOYSA-N 1 0 357.907 2.672 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000845204918 748204373 /nfs/dbraw/zinc/20/43/73/748204373.db2.gz NLBKHFSXTZQRHI-MRXNPFEDSA-N 1 0 350.507 2.502 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000848525701 748949281 /nfs/dbraw/zinc/94/92/81/748949281.db2.gz SLKOEWUIDMUICP-NEPJUHHUSA-N 1 0 373.291 2.535 20 10 FFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848538280 748954181 /nfs/dbraw/zinc/95/41/81/748954181.db2.gz WNCWAVUZTUODQA-SECBINFHSA-N 1 0 359.264 2.586 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000848545195 748955047 /nfs/dbraw/zinc/95/50/47/748955047.db2.gz BKVIXYJSIRLYTE-VIFPVBQESA-N 1 0 360.248 2.965 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000848552440 748957825 /nfs/dbraw/zinc/95/78/25/748957825.db2.gz BDJZBHAGIBOUHH-UWVGGRQHSA-N 1 0 359.264 2.727 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000850341297 749345077 /nfs/dbraw/zinc/34/50/77/749345077.db2.gz GCAAUSAEANXSNA-QGZVFWFLSA-N 1 0 365.857 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(S(C)(=O)=O)s3)C2)cc1 ZINC000850346233 749346126 /nfs/dbraw/zinc/34/61/26/749346126.db2.gz CUDPOWLANOVSGD-ZDUSSCGKSA-N 1 0 366.508 2.529 20 10 FFCDRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850505365 749377309 /nfs/dbraw/zinc/37/73/09/749377309.db2.gz BNHPUBBWMNGJCN-ZDUSSCGKSA-N 1 0 364.433 2.742 20 10 FFCDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895764671 970929633 /nfs/dbraw/zinc/92/96/33/970929633.db2.gz JJBMDQJBSOUXCD-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c(O)c1OC ZINC000893245015 971085338 /nfs/dbraw/zinc/08/53/38/971085338.db2.gz XYHYMFRTDQWHKN-HNNXBMFYSA-N 1 0 374.412 2.834 20 10 FFCDRO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837158 1013062686 /nfs/dbraw/zinc/06/26/86/1013062686.db2.gz LDAPDLYTBKKVQZ-OAHLLOKOSA-N 1 0 366.889 2.800 20 10 FFCDRO O=C(C1C[NH+](C2CCOCC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000896421264 971485323 /nfs/dbraw/zinc/48/53/23/971485323.db2.gz GUIYVXASAOPSBS-UHFFFAOYSA-N 1 0 370.449 2.625 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)c1O ZINC000896440346 971491775 /nfs/dbraw/zinc/49/17/75/971491775.db2.gz BKDRBQXQYKSNAA-UHFFFAOYSA-N 1 0 368.433 2.558 20 10 FFCDRO Cc1nc(CC2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)no1 ZINC000896551738 971577185 /nfs/dbraw/zinc/57/71/85/971577185.db2.gz RCCLUUURIOFPNA-UHFFFAOYSA-N 1 0 374.460 2.808 20 10 FFCDRO CCc1onc(C)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000893329461 971606047 /nfs/dbraw/zinc/60/60/47/971606047.db2.gz QYPHVHNIOSOMEO-INIZCTEOSA-N 1 0 356.470 2.537 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275894092 1013151322 /nfs/dbraw/zinc/15/13/22/1013151322.db2.gz OYCGHYWOGHWNCK-UGSOOPFHSA-N 1 0 352.862 2.647 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(CO)CCC2)C1 ZINC000683489913 960785464 /nfs/dbraw/zinc/78/54/64/960785464.db2.gz JYJRFLILDVNHIG-UHFFFAOYSA-N 1 0 369.509 2.687 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000160323957 961809269 /nfs/dbraw/zinc/80/92/69/961809269.db2.gz VSAUGLPPRJBGGF-MAUKXSAKSA-N 1 0 369.465 2.863 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)c2cccnc2)[NH+](C)C)cc1 ZINC000891246338 962567794 /nfs/dbraw/zinc/56/77/94/962567794.db2.gz AWFTYPLSEQZLEL-LJQANCHMSA-N 1 0 354.498 2.844 20 10 FFCDRO CC(C)c1ncncc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252158 962599356 /nfs/dbraw/zinc/59/93/56/962599356.db2.gz HIZOVJWIFWWMMX-SFHVURJKSA-N 1 0 355.486 2.699 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891253082 962606825 /nfs/dbraw/zinc/60/68/25/962606825.db2.gz QINNYPWTRZOLGW-GOSISDBHSA-N 1 0 374.416 2.833 20 10 FFCDRO CCc1noc(CC)c1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254149 962612767 /nfs/dbraw/zinc/61/27/67/962612767.db2.gz WIOHGYWKZIPEFA-IBGZPJMESA-N 1 0 372.513 2.827 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]2Cc1cc(F)ccc1O ZINC001276063818 1013386974 /nfs/dbraw/zinc/38/69/74/1013386974.db2.gz MAMNONJFKPAESU-FQEVSTJZSA-N 1 0 355.413 2.693 20 10 FFCDRO O=C(NCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276063788 1013387509 /nfs/dbraw/zinc/38/75/09/1013387509.db2.gz LQWMYAMKTJXPSY-ZDUSSCGKSA-N 1 0 360.351 2.812 20 10 FFCDRO COc1ncc2cc[nH]c2c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434735 963183879 /nfs/dbraw/zinc/18/38/79/963183879.db2.gz UXQDBIVPFHFKKA-UHFFFAOYSA-N 1 0 351.454 2.935 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c1OC ZINC000891459322 964344284 /nfs/dbraw/zinc/34/42/84/964344284.db2.gz BKKWGTUEMDENPA-UHFFFAOYSA-N 1 0 373.409 2.640 20 10 FFCDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)c(O)c1OC ZINC000891939581 965447164 /nfs/dbraw/zinc/44/71/64/965447164.db2.gz BLKSUONQRJGFSY-MRXNPFEDSA-N 1 0 356.422 2.647 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000894552649 965474041 /nfs/dbraw/zinc/47/40/41/965474041.db2.gz FGTVWXAVBLPSKV-KRWDZBQOSA-N 1 0 358.413 2.739 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588470430 965528330 /nfs/dbraw/zinc/52/83/30/965528330.db2.gz IWDKBWKDXCQXGO-QVFMIUSGSA-N 1 0 352.434 2.748 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)C2)cc1 ZINC000895005536 967150659 /nfs/dbraw/zinc/15/06/59/967150659.db2.gz FFEWFOKTYUXZTN-MNEFBYGVSA-N 1 0 364.461 2.745 20 10 FFCDRO CCC(CC)[NH2+]CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892338887 967533812 /nfs/dbraw/zinc/53/38/12/967533812.db2.gz CGPGRJDXEVSGTO-MRXNPFEDSA-N 1 0 362.518 2.662 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000052465186 967612888 /nfs/dbraw/zinc/61/28/88/967612888.db2.gz GQNPMWINCRLSHC-UHFFFAOYSA-N 1 0 367.493 2.866 20 10 FFCDRO CCCc1ncc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000895229286 968523939 /nfs/dbraw/zinc/52/39/39/968523939.db2.gz DYZUNVRPYBLPJX-SFHVURJKSA-N 1 0 373.501 2.795 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000178076670 969437639 /nfs/dbraw/zinc/43/76/39/969437639.db2.gz RYECPSMVRIZILO-GOSISDBHSA-N 1 0 371.525 2.998 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000895310940 970302662 /nfs/dbraw/zinc/30/26/62/970302662.db2.gz SUBKRXCNJFIDJD-SFHVURJKSA-N 1 0 363.465 2.704 20 10 FFCDRO Cc1cccnc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892832816 970321276 /nfs/dbraw/zinc/32/12/76/970321276.db2.gz ZWTVXTXNOSFEKA-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068670 974069036 /nfs/dbraw/zinc/06/90/36/974069036.db2.gz PFCTYABXBUWBEV-NVXWUHKLSA-N 1 0 364.461 2.936 20 10 FFCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662816424 974201827 /nfs/dbraw/zinc/20/18/27/974201827.db2.gz BBWQIKHMYIAFRX-ZBFHGGJFSA-N 1 0 368.481 2.970 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000653147085 1014236454 /nfs/dbraw/zinc/23/64/54/1014236454.db2.gz NAKYKVDFCGNHNJ-CABCVRRESA-N 1 0 355.482 2.772 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnn(CC3CCCC3)c2)cc1 ZINC000876506282 1014288507 /nfs/dbraw/zinc/28/85/07/1014288507.db2.gz ICKDIDKXJLMMLI-IBGZPJMESA-N 1 0 355.486 2.569 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)N(C)C)cc1 ZINC000898448717 976459814 /nfs/dbraw/zinc/45/98/14/976459814.db2.gz VLWAYYSJRJELCN-SFHVURJKSA-N 1 0 354.454 2.992 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)N(C)C)cc1 ZINC000898448227 976460072 /nfs/dbraw/zinc/46/00/72/976460072.db2.gz QWWMGVJWHYMZAI-INIZCTEOSA-N 1 0 369.435 2.897 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000962108618 1014349265 /nfs/dbraw/zinc/34/92/65/1014349265.db2.gz JJXSMDPYAHYPMR-GMNCBBECSA-N 1 0 360.498 2.803 20 10 FFCDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876696751 1014355332 /nfs/dbraw/zinc/35/53/32/1014355332.db2.gz JUENEEQGTLKUHP-FQEVSTJZSA-N 1 0 371.525 2.625 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccccn2)[NH+](C)C)cc1 ZINC000899101281 976911572 /nfs/dbraw/zinc/91/15/72/976911572.db2.gz HZKOSBNNXZPBNQ-IBGZPJMESA-N 1 0 355.486 2.592 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cccnc2)[NH+](C)C)cc1 ZINC000899101351 976912163 /nfs/dbraw/zinc/91/21/63/976912163.db2.gz JJIVYTUCKMEVLV-LJQANCHMSA-N 1 0 355.486 2.592 20 10 FFCDRO COC(=O)C1([N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000876727453 1014366126 /nfs/dbraw/zinc/36/61/26/1014366126.db2.gz KYOWIMQDLXKXPZ-UHFFFAOYSA-N 1 0 360.498 2.955 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000728913629 977429484 /nfs/dbraw/zinc/42/94/84/977429484.db2.gz DPXAODACJMDSLK-IRXDYDNUSA-N 1 0 355.457 2.876 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000893824725 977561105 /nfs/dbraw/zinc/56/11/05/977561105.db2.gz AERBNJCZBGQRJK-FUHWJXTLSA-N 1 0 362.518 2.612 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1C ZINC000876966726 1014434931 /nfs/dbraw/zinc/43/49/31/1014434931.db2.gz ZCKUBCRWTWTKMR-UHFFFAOYSA-N 1 0 371.481 2.608 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1O ZINC000894158090 978008743 /nfs/dbraw/zinc/00/87/43/978008743.db2.gz NEQFWOXCZMHIOE-IBGZPJMESA-N 1 0 356.466 2.872 20 10 FFCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877034517 1014456524 /nfs/dbraw/zinc/45/65/24/1014456524.db2.gz JGVUYDHDRWYLKL-VGOFRKELSA-N 1 0 354.494 2.902 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000877145668 1014489262 /nfs/dbraw/zinc/48/92/62/1014489262.db2.gz KSIMGXIQESEJFH-QGZVFWFLSA-N 1 0 353.466 2.692 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)ccc21 ZINC000654067211 1014559645 /nfs/dbraw/zinc/55/96/45/1014559645.db2.gz VSTMLSSYKWYTQK-MAEOIBBWSA-N 1 0 357.498 2.975 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[C@@H](O)c3ccccc3)C2)cc1 ZINC000905288836 980414679 /nfs/dbraw/zinc/41/46/79/980414679.db2.gz GAOVLDOGUWDFSU-NQSCKRDGSA-N 1 0 370.493 2.596 20 10 FFCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877654727 1014662345 /nfs/dbraw/zinc/66/23/45/1014662345.db2.gz HZPWRBTZJIHYNK-GOSISDBHSA-N 1 0 355.438 2.682 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)cc1Cl ZINC000877716475 1014697611 /nfs/dbraw/zinc/69/76/11/1014697611.db2.gz BUVQNNNUBQCYEE-UHFFFAOYSA-N 1 0 373.840 2.696 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2C[NH3+])cc1 ZINC000906646848 981109691 /nfs/dbraw/zinc/10/96/91/981109691.db2.gz YCEACQRMLFTIKU-UHFFFAOYSA-N 1 0 368.481 2.589 20 10 FFCDRO C[C@H](Cc1cccnc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898310296 982679130 /nfs/dbraw/zinc/67/91/30/982679130.db2.gz VEBMDGNIRGEGOF-UZLBHIALSA-N 1 0 369.513 2.681 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000151209555 984214732 /nfs/dbraw/zinc/21/47/32/984214732.db2.gz BXBZMQMRCWUMSW-QAPCUYQASA-N 1 0 369.465 2.863 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164408618 984365772 /nfs/dbraw/zinc/36/57/72/984365772.db2.gz XXEXMJWQSWZZPQ-INIZCTEOSA-N 1 0 362.514 2.852 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccc21 ZINC000057660921 984511761 /nfs/dbraw/zinc/51/17/61/984511761.db2.gz OVUBUZRQGSPFBZ-LJQANCHMSA-N 1 0 356.514 2.839 20 10 FFCDRO CN(Cc1ccc(-n2cncn2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221034 984924974 /nfs/dbraw/zinc/92/49/74/984924974.db2.gz AIQAPIOLAWJSFV-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COc3cccc(F)c3)CC2)cc1 ZINC000765288485 985020376 /nfs/dbraw/zinc/02/03/76/985020376.db2.gz JQPNWQPPCFIAOQ-LJQANCHMSA-N 1 0 374.456 2.833 20 10 FFCDRO CCN(C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000170749466 985130606 /nfs/dbraw/zinc/13/06/06/985130606.db2.gz LLEAEJYGPGFXFW-UHFFFAOYSA-N 1 0 362.518 2.647 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765733835 985404258 /nfs/dbraw/zinc/40/42/58/985404258.db2.gz ZYOSSLQQXYYGOY-GCJKJVERSA-N 1 0 370.493 2.752 20 10 FFCDRO COc1ccc([C@@H]2C[C@H]([NH2+]CC(=O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168606367 985786106 /nfs/dbraw/zinc/78/61/06/985786106.db2.gz GEFGPVRHDGLTMP-QRWLVFNGSA-N 1 0 357.406 2.799 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000765846200 986713171 /nfs/dbraw/zinc/71/31/71/986713171.db2.gz UZWJKVAMBBYGGF-MRXNPFEDSA-N 1 0 363.477 2.716 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)cc1Cn1cccn1 ZINC000922610264 988752520 /nfs/dbraw/zinc/75/25/20/988752520.db2.gz RTPYYHIKLWJWGR-FQEVSTJZSA-N 1 0 359.470 2.614 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC000879248350 1015437446 /nfs/dbraw/zinc/43/74/46/1015437446.db2.gz LJTXHRKSCBMFJR-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154085811 989835865 /nfs/dbraw/zinc/83/58/65/989835865.db2.gz QFLKEXMKNQZXFH-SFHVURJKSA-N 1 0 361.530 2.848 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034998090 990341146 /nfs/dbraw/zinc/34/11/46/990341146.db2.gz RTVRMFUYDNTRLO-QRVBRYPASA-N 1 0 360.498 2.899 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001034997907 990341368 /nfs/dbraw/zinc/34/13/68/990341368.db2.gz LASYYHSBQIGJTA-YOUFYPILSA-N 1 0 372.509 2.899 20 10 FFCDRO COc1cccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c1O ZINC000705630630 990477647 /nfs/dbraw/zinc/47/76/47/990477647.db2.gz VEPCLZHJGHWIBH-UHFFFAOYSA-N 1 0 366.458 2.564 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000920872402 990929132 /nfs/dbraw/zinc/92/91/32/990929132.db2.gz FBIWLTQMOYZAEV-QZTJIDSGSA-N 1 0 374.529 2.615 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000879648634 1015625741 /nfs/dbraw/zinc/62/57/41/1015625741.db2.gz XAYWHXLRHIKNGE-MRXNPFEDSA-N 1 0 369.465 2.908 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000879651467 1015625848 /nfs/dbraw/zinc/62/58/48/1015625848.db2.gz XAYWHXLRHIKNGE-INIZCTEOSA-N 1 0 369.465 2.908 20 10 FFCDRO Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000237723221 991323446 /nfs/dbraw/zinc/32/34/46/991323446.db2.gz QPQGIMSAJGKOOK-UHFFFAOYSA-N 1 0 374.916 2.773 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000068484504 991445492 /nfs/dbraw/zinc/44/54/92/991445492.db2.gz FBIWLTQMOYZAEV-ZWKOTPCHSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000182320954 992008290 /nfs/dbraw/zinc/00/82/90/992008290.db2.gz ZEESRWZHHNYBJB-DYVFJYSZSA-N 1 0 356.422 2.691 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)ccc21 ZINC000182526300 992095416 /nfs/dbraw/zinc/09/54/16/992095416.db2.gz LUGUAZXKNLSEJZ-UYAOXDASSA-N 1 0 356.514 2.695 20 10 FFCDRO O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)NCc1ccccc1 ZINC000070975668 992363889 /nfs/dbraw/zinc/36/38/89/992363889.db2.gz WYQABPIXNOTZHX-LJQANCHMSA-N 1 0 354.450 2.690 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000185347392 993290338 /nfs/dbraw/zinc/29/03/38/993290338.db2.gz WNVAIILWGCGDOH-INIZCTEOSA-N 1 0 363.502 2.904 20 10 FFCDRO Cn1nccc1C1=CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000809690811 994569867 /nfs/dbraw/zinc/56/98/67/994569867.db2.gz ZJJFLHYJXQEAAV-UHFFFAOYSA-N 1 0 356.445 2.685 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1C ZINC000809707997 994589201 /nfs/dbraw/zinc/58/92/01/994589201.db2.gz UWKDNWMFGDNJLH-QZTJIDSGSA-N 1 0 362.470 2.879 20 10 FFCDRO CCOC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1C ZINC000809756458 994606064 /nfs/dbraw/zinc/60/60/64/994606064.db2.gz RBZDZUHPGNEMHI-UHFFFAOYSA-N 1 0 356.470 2.566 20 10 FFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000811868291 995273617 /nfs/dbraw/zinc/27/36/17/995273617.db2.gz TVIGJBPYXYHVOL-IAGOWNOFSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccnc3OC)C[C@H]2C)cc1C ZINC001082719600 995349656 /nfs/dbraw/zinc/34/96/56/995349656.db2.gz WGCBMJNSABODOO-CRAIPNDOSA-N 1 0 369.465 2.658 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C)cc1C ZINC001082755547 995418434 /nfs/dbraw/zinc/41/84/34/995418434.db2.gz MFRFAGNGWVVHMS-SVEODPQUSA-N 1 0 358.482 2.508 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4C[C@H]4C3)cc2F)CC1 ZINC000824307489 996879910 /nfs/dbraw/zinc/87/99/10/996879910.db2.gz AHXROTGXOFHGEP-BJWYYQGGSA-N 1 0 360.477 2.565 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC001136875053 996936532 /nfs/dbraw/zinc/93/65/32/996936532.db2.gz WWZUQOFDZGJWBF-DYESRHJHSA-N 1 0 368.525 2.767 20 10 FFCDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000826845121 1016099704 /nfs/dbraw/zinc/09/97/04/1016099704.db2.gz FYCFFLQMCRTJLP-KRWDZBQOSA-N 1 0 370.449 2.616 20 10 FFCDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173709 997693562 /nfs/dbraw/zinc/69/35/62/997693562.db2.gz RJDONJJEFMXISD-NRFANRHFSA-N 1 0 373.541 2.809 20 10 FFCDRO CC(C)COc1ncccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162720 997705923 /nfs/dbraw/zinc/70/59/23/997705923.db2.gz NGJNYRIWERSUKP-SFHVURJKSA-N 1 0 356.470 2.612 20 10 FFCDRO CN(CCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21)c1ccccc1 ZINC000844220608 997710426 /nfs/dbraw/zinc/71/04/26/997710426.db2.gz YYGWSLOSWYMUQO-UHFFFAOYSA-N 1 0 366.509 2.541 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1C ZINC000731206927 997746831 /nfs/dbraw/zinc/74/68/31/997746831.db2.gz ICAAZPCGPGWCPG-OXJNMPFZSA-N 1 0 373.541 2.822 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000844398753 997858011 /nfs/dbraw/zinc/85/80/11/997858011.db2.gz BLTQTYVUQKPWIQ-INIZCTEOSA-N 1 0 373.501 2.868 20 10 FFCDRO [O-]c1cc(F)c(Br)cc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001144308033 998304953 /nfs/dbraw/zinc/30/49/53/998304953.db2.gz HPCVUIILMRMVGN-NSHDSACASA-N 1 0 368.206 2.737 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144504613 998612355 /nfs/dbraw/zinc/61/23/55/998612355.db2.gz XCIMXYMDVVBWRE-IUODEOHRSA-N 1 0 364.442 2.635 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001144509756 998622716 /nfs/dbraw/zinc/62/27/16/998622716.db2.gz KPACHRCNNMGTPY-FPOVZHCZSA-N 1 0 374.481 2.949 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCO[C@]3(CCCN(c4ccccc4)C3)C2)c(O)c1 ZINC001144509934 998623677 /nfs/dbraw/zinc/62/36/77/998623677.db2.gz NZWASJSBZMASKO-OAQYLSRUSA-N 1 0 370.449 2.675 20 10 FFCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000845948672 998690184 /nfs/dbraw/zinc/69/01/84/998690184.db2.gz BMYAALBIZCMHRR-ROUUACIJSA-N 1 0 361.530 2.929 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000732892183 998807644 /nfs/dbraw/zinc/80/76/44/998807644.db2.gz UNAJCRWUUJHAFB-UHFFFAOYSA-N 1 0 362.518 2.649 20 10 FFCDRO COc1ccc(O)c(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000734059626 999186871 /nfs/dbraw/zinc/18/68/71/999186871.db2.gz BXQPDDPULVMACA-UHFFFAOYSA-N 1 0 359.426 2.663 20 10 FFCDRO O=C(COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2)NCC1CC1 ZINC000734841174 999347027 /nfs/dbraw/zinc/34/70/27/999347027.db2.gz GBTHQIZLCIWRIS-UHFFFAOYSA-N 1 0 366.461 2.816 20 10 FFCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(-c4ccccc4)ccc3O)C2=O)cn1 ZINC000735509024 999435228 /nfs/dbraw/zinc/43/52/28/999435228.db2.gz SODZRPMLPNYFAO-LJQANCHMSA-N 1 0 362.433 2.688 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000735871012 999503059 /nfs/dbraw/zinc/50/30/59/999503059.db2.gz ALYPDPLKTXVYKT-LVCYWYKZSA-N 1 0 371.525 2.997 20 10 FFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCOC[C@H]1C1CC1 ZINC000766244371 999658881 /nfs/dbraw/zinc/65/88/81/999658881.db2.gz VFCNXUBHYOFUPY-IBGZPJMESA-N 1 0 358.482 2.774 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)C(C)C ZINC000065299152 999707937 /nfs/dbraw/zinc/70/79/37/999707937.db2.gz HRYFAHYYMGBYCW-MRXNPFEDSA-N 1 0 365.493 2.645 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnccc3C)cc2F)CC1 ZINC000741928580 999748818 /nfs/dbraw/zinc/74/88/18/999748818.db2.gz XWUUPOMCKZMAIC-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO CCOc1cncc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000767811673 1000148306 /nfs/dbraw/zinc/14/83/06/1000148306.db2.gz UPNPFMAJDBCIDJ-UHFFFAOYSA-N 1 0 371.485 2.508 20 10 FFCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846052686 1000197740 /nfs/dbraw/zinc/19/77/40/1000197740.db2.gz ICUYIJHGRUHZFQ-NHCUHLMSSA-N 1 0 352.478 2.831 20 10 FFCDRO CCO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000846053993 1000198349 /nfs/dbraw/zinc/19/83/49/1000198349.db2.gz ZISRPBDVOFABDY-RHSMWYFYSA-N 1 0 368.449 2.893 20 10 FFCDRO CN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](Cc2ccccc2)C1 ZINC000846066571 1000202355 /nfs/dbraw/zinc/20/23/55/1000202355.db2.gz CUAAXZJDCOEURP-HSZRJFAPSA-N 1 0 365.521 2.882 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c1O ZINC000846137237 1000217443 /nfs/dbraw/zinc/21/74/43/1000217443.db2.gz CMPGKICNSOYWSU-KRWDZBQOSA-N 1 0 355.482 2.874 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)n1 ZINC000768449193 1000250678 /nfs/dbraw/zinc/25/06/78/1000250678.db2.gz FERLLIFNUBXTFK-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO CN(C)c1nccc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000768528103 1000284504 /nfs/dbraw/zinc/28/45/04/1000284504.db2.gz MZRVFCWQHRDHAK-UHFFFAOYSA-N 1 0 366.513 2.687 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1CCSC1 ZINC000768731829 1000334175 /nfs/dbraw/zinc/33/41/75/1000334175.db2.gz NETGIUCAGYQZJI-GOSISDBHSA-N 1 0 374.554 2.523 20 10 FFCDRO Cc1cccc2[nH]cc(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c21 ZINC000846662986 1000403281 /nfs/dbraw/zinc/40/32/81/1000403281.db2.gz CMYHOFRDVCHJJL-GOSISDBHSA-N 1 0 350.466 2.901 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000846860622 1000461165 /nfs/dbraw/zinc/46/11/65/1000461165.db2.gz KSOHLROQJJPFDF-QRWLVFNGSA-N 1 0 363.502 2.775 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2CCOC2)C1 ZINC000769663801 1000571518 /nfs/dbraw/zinc/57/15/18/1000571518.db2.gz SZXPDIASUYXQTQ-MRXNPFEDSA-N 1 0 356.466 2.988 20 10 FFCDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148219248 1001071355 /nfs/dbraw/zinc/07/13/55/1001071355.db2.gz YMIYDMJUKPQJPZ-UHFFFAOYSA-N 1 0 358.413 2.974 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(F)CCCC3)CC2)cc1 ZINC000771902277 1001242605 /nfs/dbraw/zinc/24/26/05/1001242605.db2.gz DRAAYEBPBWYCEJ-UHFFFAOYSA-N 1 0 363.477 2.606 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001232978222 1036210263 /nfs/dbraw/zinc/21/02/63/1036210263.db2.gz CUATWUOZHWHHJJ-BXUZGUMPSA-N 1 0 359.207 2.608 20 10 FFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)cc1 ZINC000774569516 1002141035 /nfs/dbraw/zinc/14/10/35/1002141035.db2.gz FTZKIAKXCPZGAY-UHFFFAOYSA-N 1 0 359.422 2.893 20 10 FFCDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)O1 ZINC000774826943 1002797270 /nfs/dbraw/zinc/79/72/70/1002797270.db2.gz YMEGRWAOHVMWJP-ICSRJNTNSA-N 1 0 354.450 2.785 20 10 FFCDRO C[C@H]1C[C@H](C)N1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000792159826 1002928668 /nfs/dbraw/zinc/92/86/68/1002928668.db2.gz UOLIAWYJAZOWDX-IRXDYDNUSA-N 1 0 356.514 2.911 20 10 FFCDRO COc1c(O)c(CNc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000774927074 1003068951 /nfs/dbraw/zinc/06/89/51/1003068951.db2.gz CLEGCJNGSNIXCI-UHFFFAOYSA-N 1 0 361.398 2.862 20 10 FFCDRO COc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(O)c1 ZINC000792790706 1003178920 /nfs/dbraw/zinc/17/89/20/1003178920.db2.gz CFFCTKRTDNLDTE-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO CN(C)c1ccc(CN2CCN(c3cnn(C)c3)CC2)c(C(F)(F)F)c1 ZINC000792822247 1003194538 /nfs/dbraw/zinc/19/45/38/1003194538.db2.gz ITABNSWHIFYCGW-UHFFFAOYSA-N 1 0 367.419 2.827 20 10 FFCDRO COc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001186227893 1003232677 /nfs/dbraw/zinc/23/26/77/1003232677.db2.gz DIBHOQMNTJQDCT-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000793741391 1003488741 /nfs/dbraw/zinc/48/87/41/1003488741.db2.gz CPQWZXARCIFJDX-NRFANRHFSA-N 1 0 354.450 2.860 20 10 FFCDRO O=C(CCC1(O)CCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000867153007 1003654808 /nfs/dbraw/zinc/65/48/08/1003654808.db2.gz YLENVTRKDPBATP-UHFFFAOYSA-N 1 0 371.525 2.530 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000103596736 1003696446 /nfs/dbraw/zinc/69/64/46/1003696446.db2.gz BWMWJWPAJRFFDC-DOTOQJQBSA-N 1 0 371.481 2.934 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000804852608 1003889504 /nfs/dbraw/zinc/88/95/04/1003889504.db2.gz KVUPSQYXLJEMQV-CSVGXABCSA-N 1 0 359.426 2.844 20 10 FFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806636337 1004380789 /nfs/dbraw/zinc/38/07/89/1004380789.db2.gz ZDNRTOXTQYYXTH-VQIMIIECSA-N 1 0 356.514 2.837 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1cccs1)C1CC1)cc2=O ZINC000775618668 1004839191 /nfs/dbraw/zinc/83/91/91/1004839191.db2.gz VJIBYAHYAOKIPG-INIZCTEOSA-N 1 0 372.450 2.914 20 10 FFCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)CCC2CCCC2)[NH+](C)C)cc1 ZINC001195786535 1005043288 /nfs/dbraw/zinc/04/32/88/1005043288.db2.gz ADUJTDCSVMHYID-LJQANCHMSA-N 1 0 367.559 2.855 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)[C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000850354312 1005810954 /nfs/dbraw/zinc/81/09/54/1005810954.db2.gz YQCWOFUTHLXDBT-ZLGUVYLKSA-N 1 0 362.514 2.820 20 10 FFCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000850384957 1005812502 /nfs/dbraw/zinc/81/25/02/1005812502.db2.gz VIFPDTKOPXHTNS-FPOVZHCZSA-N 1 0 354.498 2.758 20 10 FFCDRO CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406511 1005813590 /nfs/dbraw/zinc/81/35/90/1005813590.db2.gz KCEGKWXJFXTKQJ-UHFFFAOYSA-N 1 0 367.493 2.639 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509827 1005819488 /nfs/dbraw/zinc/81/94/88/1005819488.db2.gz SYEPSLXWVWNSKY-OXJNMPFZSA-N 1 0 366.477 2.635 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O ZINC000850553732 1005821973 /nfs/dbraw/zinc/82/19/73/1005821973.db2.gz BYORWVOOVULQDZ-IFMALSPDSA-N 1 0 370.493 2.696 20 10 FFCDRO C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000851630779 1005901451 /nfs/dbraw/zinc/90/14/51/1005901451.db2.gz RLMRNYMGTFULQJ-KKSFZXQISA-N 1 0 365.477 2.935 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000851656178 1005903511 /nfs/dbraw/zinc/90/35/11/1005903511.db2.gz IAAKFBAJRKDNBY-KRWDZBQOSA-N 1 0 362.493 2.813 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000852092466 1005940966 /nfs/dbraw/zinc/94/09/66/1005940966.db2.gz VHNKOEZYHRGBCZ-KSZLIROESA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000852466358 1006040400 /nfs/dbraw/zinc/04/04/00/1006040400.db2.gz CFJWHQYMQIVSRO-INIZCTEOSA-N 1 0 362.518 2.646 20 10 FFCDRO COC1CCN(c2ccc(Cn3cc([C@H]([NH3+])C(C)(C)C)nn3)cc2)CC1 ZINC000881379919 1006073413 /nfs/dbraw/zinc/07/34/13/1006073413.db2.gz CVBCWAHYNSVAFH-IBGZPJMESA-N 1 0 357.502 2.988 20 10 FFCDRO Cc1cc(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)ccc1N1CCCCC1 ZINC000881379504 1006073514 /nfs/dbraw/zinc/07/35/14/1006073514.db2.gz SLYYBKOHCZKZKY-VQTJNVASSA-N 1 0 355.486 2.804 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000852595423 1006095608 /nfs/dbraw/zinc/09/56/08/1006095608.db2.gz SGKGZGZUOGOTIG-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)C1CCC(F)CC1)cc2=O ZINC000852649730 1006125517 /nfs/dbraw/zinc/12/55/17/1006125517.db2.gz ATWPHSLKEKERBD-PNESKVBLSA-N 1 0 364.421 2.618 20 10 FFCDRO C[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000852796464 1006187647 /nfs/dbraw/zinc/18/76/47/1006187647.db2.gz TURICFMXOPTFNV-CQSZACIVSA-N 1 0 371.506 2.721 20 10 FFCDRO Cc1noc(C(C)C)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849860 1006241911 /nfs/dbraw/zinc/24/19/11/1006241911.db2.gz LDKHABCBVDKRBD-UHFFFAOYSA-N 1 0 356.470 2.788 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2OCCc3ccccc32)[NH+](C)C)cc1 ZINC001134682087 1006444436 /nfs/dbraw/zinc/44/44/36/1006444436.db2.gz UOFANVRMTCKRRV-SFTDATJTSA-N 1 0 367.493 2.786 20 10 FFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000882986955 1006588837 /nfs/dbraw/zinc/58/88/37/1006588837.db2.gz PAUZYCRDUBGLIQ-UHFFFAOYSA-N 1 0 362.420 2.917 20 10 FFCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775190377 1006671305 /nfs/dbraw/zinc/67/13/05/1006671305.db2.gz SQFCFRGRSILMOL-KRWDZBQOSA-N 1 0 358.461 2.775 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CC3CCN(CC(F)F)CC3)cc2)CC1 ZINC000883185210 1006689556 /nfs/dbraw/zinc/68/95/56/1006689556.db2.gz QWCKOYDCDBKENC-UHFFFAOYSA-N 1 0 367.484 2.714 20 10 FFCDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230251 1006732557 /nfs/dbraw/zinc/73/25/57/1006732557.db2.gz KWHJOXMNXXHMCS-VGSWGCGISA-N 1 0 353.510 2.696 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1 ZINC000854299426 1006764412 /nfs/dbraw/zinc/76/44/12/1006764412.db2.gz IRWPVNOJZSTZCP-UWVAXJGDSA-N 1 0 374.529 2.646 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775256327 1007090089 /nfs/dbraw/zinc/09/00/89/1007090089.db2.gz XXXSIBDVJRXGFG-MRXNPFEDSA-N 1 0 371.456 2.629 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775253818 1007091549 /nfs/dbraw/zinc/09/15/49/1007091549.db2.gz GDMLDTNWAWUWEV-VQIMIIECSA-N 1 0 374.456 2.753 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1O ZINC001116211532 1032196032 /nfs/dbraw/zinc/19/60/32/1032196032.db2.gz HRSKZTWGEVIUJO-LBPRGKRZSA-N 1 0 350.846 2.739 20 10 FFCDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545620 1007106303 /nfs/dbraw/zinc/10/63/03/1007106303.db2.gz YGZLHMYBCDRHPS-LJQANCHMSA-N 1 0 355.482 2.578 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nc(C)cs3)cc2F)CC1 ZINC001116208270 1032194497 /nfs/dbraw/zinc/19/44/97/1032194497.db2.gz MGMQLHROUGXPII-UHFFFAOYSA-N 1 0 362.474 2.663 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000775257002 1007111689 /nfs/dbraw/zinc/11/16/89/1007111689.db2.gz CMDSKCOVZLUFFH-HNNXBMFYSA-N 1 0 357.429 2.952 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC001206294534 1032215326 /nfs/dbraw/zinc/21/53/26/1032215326.db2.gz XBLWJSZEZGPENL-UHFFFAOYSA-N 1 0 350.846 2.973 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000775371064 1007537619 /nfs/dbraw/zinc/53/76/19/1007537619.db2.gz SASASOJKTDHOTI-ZBFHGGJFSA-N 1 0 361.438 2.638 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000817375842 1007568149 /nfs/dbraw/zinc/56/81/49/1007568149.db2.gz SSMCKZQMWIWMKW-IFIJOSMWSA-N 1 0 363.454 2.618 20 10 FFCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000817589321 1007660524 /nfs/dbraw/zinc/66/05/24/1007660524.db2.gz XEQGYPSBKMUZKI-HOTGVXAUSA-N 1 0 366.477 2.897 20 10 FFCDRO COC(=O)COc1ccccc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944310 1007819947 /nfs/dbraw/zinc/81/99/47/1007819947.db2.gz ZBSDUWKSOFIHLD-KXBFYZLASA-N 1 0 371.481 2.655 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233951 1007889613 /nfs/dbraw/zinc/88/96/13/1007889613.db2.gz RFWAAJYYANEPDB-FQEVSTJZSA-N 1 0 365.477 2.950 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000818655287 1007959563 /nfs/dbraw/zinc/95/95/63/1007959563.db2.gz KDHMGDBSHLWPBW-APWZRJJASA-N 1 0 362.518 2.536 20 10 FFCDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000818964385 1007979808 /nfs/dbraw/zinc/97/98/08/1007979808.db2.gz UPOARVAJEKDFCV-LJQANCHMSA-N 1 0 373.478 2.971 20 10 FFCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818966737 1007981748 /nfs/dbraw/zinc/98/17/48/1007981748.db2.gz NYVXPYOSOWSVHA-IERDGZPVSA-N 1 0 358.457 2.917 20 10 FFCDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953610 1007992126 /nfs/dbraw/zinc/99/21/26/1007992126.db2.gz KZZXBXNBEOEUPZ-SFHVURJKSA-N 1 0 371.437 2.725 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(CC4CC4)C3)cc2F)CC1 ZINC000856860442 1007999776 /nfs/dbraw/zinc/99/97/76/1007999776.db2.gz SWDLCJYUMDOJHA-UHFFFAOYSA-N 1 0 374.504 2.909 20 10 FFCDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000818967670 1008010245 /nfs/dbraw/zinc/01/02/45/1008010245.db2.gz YIHCAURPRMKWEV-GOSISDBHSA-N 1 0 374.456 2.500 20 10 FFCDRO C[C@H](C[N@H+](C)Cc1ccccc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169373 1008056264 /nfs/dbraw/zinc/05/62/64/1008056264.db2.gz HORINXGMAZBOPX-MRXNPFEDSA-N 1 0 367.449 2.677 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3cc(C)cc(C)c3)CC2)cc1 ZINC000819395801 1008114945 /nfs/dbraw/zinc/11/49/45/1008114945.db2.gz RCHXDNLZYNFVTG-OAQYLSRUSA-N 1 0 369.509 2.907 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000011853411 1008180577 /nfs/dbraw/zinc/18/05/77/1008180577.db2.gz LIVPYAMPQRQBQV-UHFFFAOYSA-N 1 0 371.456 2.776 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000819584596 1008183890 /nfs/dbraw/zinc/18/38/90/1008183890.db2.gz MTXRQFWSFWGWDQ-QGZVFWFLSA-N 1 0 359.514 2.758 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000115817843 1008290268 /nfs/dbraw/zinc/29/02/68/1008290268.db2.gz JEMLYUOAKIJNOT-QGZVFWFLSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1cccc(C(=O)NCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858113196 1008303623 /nfs/dbraw/zinc/30/36/23/1008303623.db2.gz DFDSCOIVKMKPIO-UHFFFAOYSA-N 1 0 363.408 2.559 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1F ZINC000858193026 1008321305 /nfs/dbraw/zinc/32/13/05/1008321305.db2.gz SGGCXVAUGKEJRS-RTBURBONSA-N 1 0 365.468 2.764 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cc4ccccc4n(C)c3=O)CC2)cc1 ZINC000821387703 1008450947 /nfs/dbraw/zinc/45/09/47/1008450947.db2.gz VRSNANXOGKLVLI-UHFFFAOYSA-N 1 0 363.461 2.869 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000859287469 1008497619 /nfs/dbraw/zinc/49/76/19/1008497619.db2.gz NELMMAUQOITVJI-IBGZPJMESA-N 1 0 367.493 2.907 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000822349612 1008599301 /nfs/dbraw/zinc/59/93/01/1008599301.db2.gz BGKTVLXWNHXLBM-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)Cc3ccccc3F)CC2)cc1 ZINC000886234572 1008606382 /nfs/dbraw/zinc/60/63/82/1008606382.db2.gz QKYFJWXUTUZDQU-LJQANCHMSA-N 1 0 358.457 2.996 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886324968 1008636859 /nfs/dbraw/zinc/63/68/59/1008636859.db2.gz OFXYYFKSRZCNJA-UHFFFAOYSA-N 1 0 353.466 2.692 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)CC1 ZINC000886324745 1008637529 /nfs/dbraw/zinc/63/75/29/1008637529.db2.gz FHOQXYNDAJVXPL-UHFFFAOYSA-N 1 0 359.420 2.956 20 10 FFCDRO OCC1([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCOCC2)CCC1 ZINC000822526843 1008646449 /nfs/dbraw/zinc/64/64/49/1008646449.db2.gz ZLVDQHOJQWPVNO-OAQYLSRUSA-N 1 0 374.525 2.571 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)C2)cc1 ZINC000822494946 1008651985 /nfs/dbraw/zinc/65/19/85/1008651985.db2.gz ZLDAPYJPBRNRMK-MRXNPFEDSA-N 1 0 367.449 2.642 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000886507267 1008707710 /nfs/dbraw/zinc/70/77/10/1008707710.db2.gz CTFLCGQVHXDAKS-CQSZACIVSA-N 1 0 373.428 2.695 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCOCC1 ZINC000886747301 1008857021 /nfs/dbraw/zinc/85/70/21/1008857021.db2.gz PWYNQYRVRMPDGB-HXUWFJFHSA-N 1 0 359.514 2.683 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1O ZINC000886747419 1008857445 /nfs/dbraw/zinc/85/74/45/1008857445.db2.gz SUVPPEVRCJFJIM-HNNXBMFYSA-N 1 0 353.466 2.945 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)[C@H](C)c1ccccc1 ZINC000823575750 1009116013 /nfs/dbraw/zinc/11/60/13/1009116013.db2.gz ACTNIITXTCRFCE-UZLBHIALSA-N 1 0 357.450 2.922 20 10 FFCDRO CCN(C)c1ccc(CN2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000773773435 1009137849 /nfs/dbraw/zinc/13/78/49/1009137849.db2.gz QSGIWSQBBGMZBO-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726695 1009205641 /nfs/dbraw/zinc/20/56/41/1009205641.db2.gz WUCZDQBCVSWRHQ-QZTJIDSGSA-N 1 0 374.529 2.553 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cs2)cc1 ZINC000825558292 1009275413 /nfs/dbraw/zinc/27/54/13/1009275413.db2.gz FZKVJIWRDGDPRF-RDJZCZTQSA-N 1 0 370.522 2.920 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3c4ccccc4CC[C@H]3O)cc2F)CC1 ZINC001179665436 1009409448 /nfs/dbraw/zinc/40/94/48/1009409448.db2.gz BKLQWDPXDZOKRF-YADHBBJMSA-N 1 0 369.484 2.716 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1C ZINC000861809721 1009565916 /nfs/dbraw/zinc/56/59/16/1009565916.db2.gz ZGEADAIZQLYSEN-NQIIRXRSSA-N 1 0 365.477 2.991 20 10 FFCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000777222300 1009601703 /nfs/dbraw/zinc/60/17/03/1009601703.db2.gz LKALVPDILNDJPL-KGLIPLIRSA-N 1 0 366.458 2.756 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000861941610 1009635068 /nfs/dbraw/zinc/63/50/68/1009635068.db2.gz DFPOOZICSSVHGP-UHFFFAOYSA-N 1 0 355.482 2.906 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)ccc21 ZINC000887933306 1009686570 /nfs/dbraw/zinc/68/65/70/1009686570.db2.gz LUMQCCVAYJNINB-PGRDOPGGSA-N 1 0 369.509 2.928 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3cc(C)ccc3O)CC2)c1 ZINC000862760993 1009962573 /nfs/dbraw/zinc/96/25/73/1009962573.db2.gz ZLEZROFFEBYETF-UHFFFAOYSA-N 1 0 367.493 2.838 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C)cc1O ZINC000794820029 1010739526 /nfs/dbraw/zinc/73/95/26/1010739526.db2.gz ZVNRNTBQLNOJCE-SJORKVTESA-N 1 0 356.470 2.666 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C)cc1O ZINC000794820027 1010739828 /nfs/dbraw/zinc/73/98/28/1010739828.db2.gz ZVNRNTBQLNOJCE-IRXDYDNUSA-N 1 0 356.470 2.666 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNCc3cn(C4CC4)cn3)CC2)cc1 ZINC000865405821 1010775118 /nfs/dbraw/zinc/77/51/18/1010775118.db2.gz XHWCEMZOGGEUEY-UHFFFAOYSA-N 1 0 369.513 2.529 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4c(cnn4C)c3)C2)cc1 ZINC000865609626 1010826335 /nfs/dbraw/zinc/82/63/35/1010826335.db2.gz ZCQPEZNLHPIWIX-OAHLLOKOSA-N 1 0 351.454 2.593 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cc2)C1 ZINC000866236386 1010958424 /nfs/dbraw/zinc/95/84/24/1010958424.db2.gz AJFBAQPMUUIYHK-HMXCVIKNSA-N 1 0 371.525 2.826 20 10 FFCDRO CC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000866522782 1011009851 /nfs/dbraw/zinc/00/98/51/1011009851.db2.gz YYNDDEHGKLTANN-XJKSGUPXSA-N 1 0 374.359 2.673 20 10 FFCDRO COc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1F ZINC000122061753 1011202331 /nfs/dbraw/zinc/20/23/31/1011202331.db2.gz FXLKINNYUNFRDS-UHFFFAOYSA-N 1 0 358.413 2.928 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000773312123 1011317048 /nfs/dbraw/zinc/31/70/48/1011317048.db2.gz TZIHJENFXXDRTJ-DLBZAZTESA-N 1 0 374.529 2.614 20 10 FFCDRO COCC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122661167 1011837118 /nfs/dbraw/zinc/83/71/18/1011837118.db2.gz BHSOQLRNAQTGNQ-UHFFFAOYSA-N 1 0 359.514 2.507 20 10 FFCDRO COC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001172632133 1011904830 /nfs/dbraw/zinc/90/48/30/1011904830.db2.gz HWBXIHUQHFNUBC-HOTGVXAUSA-N 1 0 362.470 2.558 20 10 FFCDRO CSCCC[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001275104470 1011939813 /nfs/dbraw/zinc/93/98/13/1011939813.db2.gz UCQWVKHLBYFSBK-FQEVSTJZSA-N 1 0 361.555 2.930 20 10 FFCDRO CN1C[C@@H](c2cccnc2)C2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001275232351 1012113846 /nfs/dbraw/zinc/11/38/46/1012113846.db2.gz OSTZOQPYBLDMRS-SFHVURJKSA-N 1 0 351.450 2.625 20 10 FFCDRO Cc1nc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3O)C2=O)cs1 ZINC001275232345 1012114354 /nfs/dbraw/zinc/11/43/54/1012114354.db2.gz OKFDEFRCPJBULF-IBGZPJMESA-N 1 0 357.479 2.924 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275249276 1012141083 /nfs/dbraw/zinc/14/10/83/1012141083.db2.gz YSRGAMHVUQAUQW-LJQANCHMSA-N 1 0 364.873 2.815 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001275254324 1012143932 /nfs/dbraw/zinc/14/39/32/1012143932.db2.gz OMCWJYFSJLPXHB-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C(=O)N1CC(F)F ZINC001275253613 1012153218 /nfs/dbraw/zinc/15/32/18/1012153218.db2.gz DFMZCFLHOVQUQO-QGZVFWFLSA-N 1 0 372.799 2.652 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(O)cc2O)c1F ZINC001173181171 1012324194 /nfs/dbraw/zinc/32/41/94/1012324194.db2.gz BFOQBQNWCIVFGX-JTQLQIEISA-N 1 0 350.346 2.875 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2=O)cc1 ZINC001275603682 1012683796 /nfs/dbraw/zinc/68/37/96/1012683796.db2.gz ZDSXSWUAMGCESE-NRFANRHFSA-N 1 0 352.482 2.705 20 10 FFCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C(=O)OC ZINC001173566459 1012712131 /nfs/dbraw/zinc/71/21/31/1012712131.db2.gz LBJMZOREBRRVBT-GGPHIMKMSA-N 1 0 374.481 2.507 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3c(C)ccc(C)c3O)CC2)C1=O ZINC001275770657 1012984700 /nfs/dbraw/zinc/98/47/00/1012984700.db2.gz DOTSJPYHXOHKCV-MRXNPFEDSA-N 1 0 358.482 2.801 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275772080 1012990886 /nfs/dbraw/zinc/99/08/86/1012990886.db2.gz XALUJVUKSBDTHH-MAUKXSAKSA-N 1 0 358.482 2.705 20 10 FFCDRO CCON1CCC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000924715246 1017442228 /nfs/dbraw/zinc/44/22/28/1017442228.db2.gz LLCFBUQJBNSHCW-IYBDPMFKSA-N 1 0 365.493 2.945 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3CCCO)cc2)C1 ZINC000924726088 1017449495 /nfs/dbraw/zinc/44/94/95/1017449495.db2.gz KWZKHFARAFNBCX-QKNQBKEWSA-N 1 0 373.541 2.809 20 10 FFCDRO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C2)CO1 ZINC000924729462 1017452087 /nfs/dbraw/zinc/45/20/87/1017452087.db2.gz OADKDFJBHODMGT-PDDLGQBUSA-N 1 0 371.525 2.826 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(-n2cnnc2)c1 ZINC000924751036 1017463244 /nfs/dbraw/zinc/46/32/44/1017463244.db2.gz IPFWJJKCLQQRTG-QGZVFWFLSA-N 1 0 363.465 2.955 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000827341256 1017673278 /nfs/dbraw/zinc/67/32/78/1017673278.db2.gz ZFZCHDFEZADPEY-IBGZPJMESA-N 1 0 355.486 2.584 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc(CO)on1 ZINC000925679179 1017814742 /nfs/dbraw/zinc/81/47/42/1017814742.db2.gz YRRNVSULQOBGNY-MRXNPFEDSA-N 1 0 370.497 2.550 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000827662524 1018602823 /nfs/dbraw/zinc/60/28/23/1018602823.db2.gz SDFOOTJIVBNNDF-HJWRWDBZSA-N 1 0 370.449 2.717 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cnn(CC3CC3)c2)[NH+](C)C)cc1 ZINC000930255992 1019949291 /nfs/dbraw/zinc/94/92/91/1019949291.db2.gz QDEYAJVSYPJFGZ-LJQANCHMSA-N 1 0 370.501 2.784 20 10 FFCDRO c1cc(CO[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000930292499 1019966381 /nfs/dbraw/zinc/96/63/81/1019966381.db2.gz KKPBHDHTBWLCRH-OAQYLSRUSA-N 1 0 353.466 2.709 20 10 FFCDRO O=c1ccccn1C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000800314849 1020209695 /nfs/dbraw/zinc/20/96/95/1020209695.db2.gz XWNPKMWLTPGNLO-KRWDZBQOSA-N 1 0 364.401 2.814 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC([C@@H]4COC(=O)N4)CC3)c2c1 ZINC000902515433 1020247595 /nfs/dbraw/zinc/24/75/95/1020247595.db2.gz XHTSCWOPXBPVMG-SFHVURJKSA-N 1 0 356.422 2.874 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000931263877 1020395324 /nfs/dbraw/zinc/39/53/24/1020395324.db2.gz XBTSUFHPPFYEQE-ZCNNSNEGSA-N 1 0 358.482 2.687 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC000931575483 1020519366 /nfs/dbraw/zinc/51/93/66/1020519366.db2.gz DAARNLNQPAFLJE-UHFFFAOYSA-N 1 0 350.422 2.970 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1C ZINC000800898967 1020633285 /nfs/dbraw/zinc/63/32/85/1020633285.db2.gz DJUYONGHMZOLFL-GOSISDBHSA-N 1 0 354.450 2.773 20 10 FFCDRO O=C1c2cccc(O[C@H]3C[NH2+]CCC[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217978394 1032929865 /nfs/dbraw/zinc/92/98/65/1032929865.db2.gz AZHYJRWVOFNXRT-BBRMVZONSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001217987155 1032935544 /nfs/dbraw/zinc/93/55/44/1032935544.db2.gz MEWRLJBQKHGNIW-PXAZEXFGSA-N 1 0 351.402 2.935 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H]([C@@H]2CCCO2)C1 ZINC000933184312 1020974181 /nfs/dbraw/zinc/97/41/81/1020974181.db2.gz KEDLGRZHAJJHMB-RLLQIKCJSA-N 1 0 360.498 2.994 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H]([C@H]2CCCO2)C1 ZINC000933184315 1020974516 /nfs/dbraw/zinc/97/45/16/1020974516.db2.gz KEDLGRZHAJJHMB-YZGWKJHDSA-N 1 0 360.498 2.994 20 10 FFCDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116441023 1021218226 /nfs/dbraw/zinc/21/82/26/1021218226.db2.gz DGOBEWXHBTUXNM-SFHVURJKSA-N 1 0 365.543 2.581 20 10 FFCDRO COc1cc(O[C@@H]2C[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001218046617 1032969095 /nfs/dbraw/zinc/96/90/95/1032969095.db2.gz YRKJUEWRWUBNGS-YPMHNXCESA-N 1 0 367.401 2.614 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934689555 1021348900 /nfs/dbraw/zinc/34/89/00/1021348900.db2.gz OXCBJVWFOLNGOG-NRFANRHFSA-N 1 0 352.482 2.847 20 10 FFCDRO COC(=O)Cc1ccccc1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000155369938 1022246445 /nfs/dbraw/zinc/24/64/45/1022246445.db2.gz XDAWZJVQPBZQMB-UHFFFAOYSA-N 1 0 372.440 2.872 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000158896825 1022587208 /nfs/dbraw/zinc/58/72/08/1022587208.db2.gz NMVLIUMXRRFOCP-SFHVURJKSA-N 1 0 359.445 2.690 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2c1 ZINC000188962521 1023177272 /nfs/dbraw/zinc/17/72/72/1023177272.db2.gz IALSUEKQPIFPGI-HNNXBMFYSA-N 1 0 358.482 2.831 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]2C1 ZINC001120035005 1023215924 /nfs/dbraw/zinc/21/59/24/1023215924.db2.gz MGYRLPACKFMMAS-SVFBPWRDSA-N 1 0 368.525 2.935 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3ccc(N(C)C)cc3)C2)nc1 ZINC000753741319 1023373446 /nfs/dbraw/zinc/37/34/46/1023373446.db2.gz JXRLEPDFGSVWPO-OAHLLOKOSA-N 1 0 368.481 2.864 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](CC(C)C)C(C)C)CC2)cc1 ZINC000754008536 1023414632 /nfs/dbraw/zinc/41/46/32/1023414632.db2.gz WEFIXBSMDZZVTO-HXUWFJFHSA-N 1 0 363.546 2.545 20 10 FFCDRO CN(C(=O)NCc1ccc(N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001120676751 1023417387 /nfs/dbraw/zinc/41/73/87/1023417387.db2.gz BHPGBXNZSPVKHP-UHFFFAOYSA-N 1 0 358.408 2.827 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000754197558 1023439439 /nfs/dbraw/zinc/43/94/39/1023439439.db2.gz YAWMSBTUOQCTEC-OAQYLSRUSA-N 1 0 351.494 2.980 20 10 FFCDRO C[C@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)C[NH2+]1 ZINC001218399169 1033138076 /nfs/dbraw/zinc/13/80/76/1033138076.db2.gz OABVYFQIOLWVDF-NWDGAFQWSA-N 1 0 366.373 2.890 20 10 FFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756587819 1023732019 /nfs/dbraw/zinc/73/20/19/1023732019.db2.gz CSBXEIVDRWDZEB-CVEARBPZSA-N 1 0 358.461 2.788 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)C3CC3)cc2F)CC1 ZINC000757199383 1023810256 /nfs/dbraw/zinc/81/02/56/1023810256.db2.gz KBXCEAWNOQPUNM-UHFFFAOYSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3C)CC2)cc1 ZINC000758226680 1023978511 /nfs/dbraw/zinc/97/85/11/1023978511.db2.gz YUZZXJKSLFHCAJ-LJQANCHMSA-N 1 0 374.456 2.705 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000079254073 1024228434 /nfs/dbraw/zinc/22/84/34/1024228434.db2.gz SVZUUBNPQMKWFR-AEFFLSMTSA-N 1 0 363.502 2.813 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]34C[C@H]3CCCC4)CC2)cc1 ZINC001124518080 1024338529 /nfs/dbraw/zinc/33/85/29/1024338529.db2.gz REEYLYFSZBWDPT-XMSQKQJNSA-N 1 0 371.525 2.904 20 10 FFCDRO O=C1CN([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)c2ccccc2N1 ZINC000758974286 1024406248 /nfs/dbraw/zinc/40/62/48/1024406248.db2.gz RIJFQGVINZSHPR-MRXNPFEDSA-N 1 0 374.444 2.973 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C ZINC000194097888 1024744105 /nfs/dbraw/zinc/74/41/05/1024744105.db2.gz DAUCNDXETXWHCP-HZPDHXFCSA-N 1 0 365.493 2.786 20 10 FFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)CC[C@H]21 ZINC001141140668 1025508053 /nfs/dbraw/zinc/50/80/53/1025508053.db2.gz ILOQXLOKADJMHX-ZWKOTPCHSA-N 1 0 357.498 2.594 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)ccc21 ZINC001141141447 1025509079 /nfs/dbraw/zinc/50/90/79/1025509079.db2.gz YTWFQAKYKVBNIC-IAGOWNOFSA-N 1 0 373.497 2.956 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)ccc21 ZINC001141142477 1025511845 /nfs/dbraw/zinc/51/18/45/1025511845.db2.gz QQHRELZJARSPOI-SJORKVTESA-N 1 0 373.497 2.956 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)CN1c1ccc(F)cc1 ZINC001141158341 1025537778 /nfs/dbraw/zinc/53/77/78/1025537778.db2.gz ZVRHLYDPDUZQRO-HXUWFJFHSA-N 1 0 356.397 2.866 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1 ZINC001141157270 1025538631 /nfs/dbraw/zinc/53/86/31/1025538631.db2.gz FUXSBXCLSBQYBK-UHFFFAOYSA-N 1 0 358.438 2.558 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2C)cc1 ZINC000837306621 1025714903 /nfs/dbraw/zinc/71/49/03/1025714903.db2.gz PBODASDFALDWFO-IAGOWNOFSA-N 1 0 353.466 2.784 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc21 ZINC000246793166 1026450195 /nfs/dbraw/zinc/45/01/95/1026450195.db2.gz IVPILVRRBLKSIS-AZUAARDMSA-N 1 0 356.514 2.695 20 10 FFCDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839507547 1026707546 /nfs/dbraw/zinc/70/75/46/1026707546.db2.gz JJHWAAUFKOGPCH-INIZCTEOSA-N 1 0 355.482 2.637 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839604075 1026754453 /nfs/dbraw/zinc/75/44/53/1026754453.db2.gz ALNACUPJNUTCRY-HTAPYJJXSA-N 1 0 369.509 2.813 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]2C)cc1C ZINC001104169235 1028629345 /nfs/dbraw/zinc/62/93/45/1028629345.db2.gz DUFVRGQFJIGEJP-SJLPKXTDSA-N 1 0 370.497 2.923 20 10 FFCDRO C[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000780825160 1028825726 /nfs/dbraw/zinc/82/57/26/1028825726.db2.gz OIVNBQPJKCPQJV-QGZVFWFLSA-N 1 0 374.529 2.615 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1C(=O)OC(C)(C)C ZINC000690922919 1028906197 /nfs/dbraw/zinc/90/61/97/1028906197.db2.gz QCZLNNGIBFZLHZ-OCCSQVGLSA-N 1 0 364.442 2.999 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccc(O)c1 ZINC000781014098 1028937969 /nfs/dbraw/zinc/93/79/69/1028937969.db2.gz HTINBDHNHGVPGO-UHFFFAOYSA-N 1 0 365.477 2.854 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3c(N)cccc3OC)CC2)cc1 ZINC001164334671 1029250328 /nfs/dbraw/zinc/25/03/28/1029250328.db2.gz WMYUANAAIGWHPG-UHFFFAOYSA-N 1 0 370.497 2.910 20 10 FFCDRO C=Cc1ncc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC001164336000 1029250509 /nfs/dbraw/zinc/25/05/09/1029250509.db2.gz MZXDAFGGYXVQPW-UHFFFAOYSA-N 1 0 353.470 2.752 20 10 FFCDRO CC(C)COc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156658713 1029292463 /nfs/dbraw/zinc/29/24/63/1029292463.db2.gz FPECHUMJPPYYKQ-UHFFFAOYSA-N 1 0 355.486 2.875 20 10 FFCDRO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3O)CC2)CC1 ZINC000827963892 1029583140 /nfs/dbraw/zinc/58/31/40/1029583140.db2.gz DGMZEJINQMDCHX-INIZCTEOSA-N 1 0 359.514 2.766 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@H+](CCc3ccccc3)CC(=O)[O-])cc2)CC1 ZINC000840994936 1029964825 /nfs/dbraw/zinc/96/48/25/1029964825.db2.gz BTIVWXCADKTUTE-UHFFFAOYSA-N 1 0 367.493 2.568 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000841003339 1029968964 /nfs/dbraw/zinc/96/89/64/1029968964.db2.gz SQXLNSOSONDJRC-UHFFFAOYSA-N 1 0 366.465 2.510 20 10 FFCDRO COc1cc2c(cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1)O[C@H](C)C2 ZINC000841043893 1029997268 /nfs/dbraw/zinc/99/72/68/1029997268.db2.gz RHDSQZCKDQUQRX-AUUYWEPGSA-N 1 0 355.482 2.874 20 10 FFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841045267 1029999641 /nfs/dbraw/zinc/99/96/41/1029999641.db2.gz JPUSDFBMPWQLEH-FOIQADDNSA-N 1 0 370.497 2.768 20 10 FFCDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841165438 1030085480 /nfs/dbraw/zinc/08/54/80/1030085480.db2.gz VQBUKIWGNJYRLD-KRWDZBQOSA-N 1 0 351.410 2.909 20 10 FFCDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000841182992 1030096493 /nfs/dbraw/zinc/09/64/93/1030096493.db2.gz MBLFXVRQKRFQKX-KRWDZBQOSA-N 1 0 351.410 2.894 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000841306660 1030177783 /nfs/dbraw/zinc/17/77/83/1030177783.db2.gz DWVKGIDTGYKZLR-UHFFFAOYSA-N 1 0 366.465 2.695 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841707727 1030420501 /nfs/dbraw/zinc/42/05/01/1030420501.db2.gz YLXUTAKCUAVBAQ-HXUWFJFHSA-N 1 0 374.554 2.525 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)cc1O ZINC000841746762 1030444771 /nfs/dbraw/zinc/44/47/71/1030444771.db2.gz LDBQUEHLYWFTBI-WLRWDXFRSA-N 1 0 373.840 2.951 20 10 FFCDRO CN(c1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1)C1CCCCC1 ZINC000841757131 1030446335 /nfs/dbraw/zinc/44/63/35/1030446335.db2.gz DYDHLAXAMLXSGJ-HDICACEKSA-N 1 0 356.514 2.816 20 10 FFCDRO CN(c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1)C1CCCCC1 ZINC000841760160 1030448364 /nfs/dbraw/zinc/44/83/64/1030448364.db2.gz RIOFFAUIZGEWNH-XLIONFOSSA-N 1 0 356.514 2.959 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000841762109 1030449681 /nfs/dbraw/zinc/44/96/81/1030449681.db2.gz VBERFPGWFXEPTF-DLBZAZTESA-N 1 0 362.493 2.813 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841831724 1030491728 /nfs/dbraw/zinc/49/17/28/1030491728.db2.gz CZUNWRWEENSYJK-HXUWFJFHSA-N 1 0 354.498 2.736 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000841936060 1030554814 /nfs/dbraw/zinc/55/48/14/1030554814.db2.gz DTCPYLFCGAOIQA-QGZVFWFLSA-N 1 0 356.470 2.809 20 10 FFCDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841948810 1030557372 /nfs/dbraw/zinc/55/73/72/1030557372.db2.gz LUHVBWVIADGNPV-JQHSSLGASA-N 1 0 361.486 2.600 20 10 FFCDRO O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517432 1030566647 /nfs/dbraw/zinc/56/66/47/1030566647.db2.gz MZAMWJNGJKVKFQ-CQSZACIVSA-N 1 0 350.409 2.941 20 10 FFCDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCCC1 ZINC000841986636 1030568027 /nfs/dbraw/zinc/56/80/27/1030568027.db2.gz MVEPOUGUEDNFBT-MSOLQXFVSA-N 1 0 361.486 2.600 20 10 FFCDRO O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784678537 1030752981 /nfs/dbraw/zinc/75/29/81/1030752981.db2.gz CJCKTDRNDXEBJV-IBGZPJMESA-N 1 0 358.457 2.746 20 10 FFCDRO C[C@H]1N(c2cccnc2)C(=O)COC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203551830 1030760936 /nfs/dbraw/zinc/76/09/36/1030760936.db2.gz PKYDLANWWJEARJ-MRXNPFEDSA-N 1 0 367.449 2.574 20 10 FFCDRO O=C(NCc1cccs1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@H]2O1 ZINC001203555693 1030763705 /nfs/dbraw/zinc/76/37/05/1030763705.db2.gz GGMHKFVAEQHIPY-GDIGMMSISA-N 1 0 372.490 2.750 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001203552395 1030763848 /nfs/dbraw/zinc/76/38/48/1030763848.db2.gz MFGMZDVIVGIBLG-SVFBPWRDSA-N 1 0 354.450 2.983 20 10 FFCDRO CC(C)(C)OC(=O)NC1CN([C@H]2CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203558329 1030767272 /nfs/dbraw/zinc/76/72/72/1030767272.db2.gz FJMFEGRRNFSIOL-KRWDZBQOSA-N 1 0 361.486 2.566 20 10 FFCDRO COc1cccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c1O ZINC001203589523 1030773328 /nfs/dbraw/zinc/77/33/28/1030773328.db2.gz KAOBDMLNELOCRW-AEFFLSMTSA-N 1 0 370.424 2.630 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1O ZINC001203592225 1030774868 /nfs/dbraw/zinc/77/48/68/1030774868.db2.gz RJFKHAXFTALPHC-UHFFFAOYSA-N 1 0 372.465 2.861 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1O ZINC001203593570 1030778250 /nfs/dbraw/zinc/77/82/50/1030778250.db2.gz NZERLTBKDBRUEZ-XLIONFOSSA-N 1 0 356.422 2.608 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1O ZINC001203593722 1030778698 /nfs/dbraw/zinc/77/86/98/1030778698.db2.gz PULKVCRVAMDVRF-PKOBYXMFSA-N 1 0 372.440 2.877 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O ZINC001203602131 1030781611 /nfs/dbraw/zinc/78/16/11/1030781611.db2.gz BXHKEQKYQBLQLI-UHFFFAOYSA-N 1 0 370.449 2.837 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1O ZINC001203607854 1030784270 /nfs/dbraw/zinc/78/42/70/1030784270.db2.gz BKYCDIHQZHSSKE-UTKZUKDTSA-N 1 0 370.449 2.713 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c1O ZINC001203614587 1030787408 /nfs/dbraw/zinc/78/74/08/1030787408.db2.gz AEJPPTCNEGHFOS-UHFFFAOYSA-N 1 0 354.406 2.848 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(Oc3nc(C)cc(OC)n3)CC2)c1O ZINC001203617213 1030788265 /nfs/dbraw/zinc/78/82/65/1030788265.db2.gz MBSLYEPTTUBYIR-UHFFFAOYSA-N 1 0 373.453 2.941 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)c1 ZINC001203673126 1030820536 /nfs/dbraw/zinc/82/05/36/1030820536.db2.gz NRBSRJOUKGFEEP-UHFFFAOYSA-N 1 0 370.497 2.765 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)c1 ZINC001203675223 1030822659 /nfs/dbraw/zinc/82/26/59/1030822659.db2.gz QGJOMTVMMVKVLG-UHFFFAOYSA-N 1 0 352.434 2.955 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3nc(C)cc(OC)n3)CC2)c1 ZINC001203684329 1030827711 /nfs/dbraw/zinc/82/77/11/1030827711.db2.gz RVIYHSDCUJGWMH-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1Cc1ccncc1 ZINC001203876810 1030950225 /nfs/dbraw/zinc/95/02/25/1030950225.db2.gz JQKSSGVESQOJAE-UHFFFAOYSA-N 1 0 367.449 2.650 20 10 FFCDRO Oc1ccc(CN2CCO[C@]3(CCCN(c4ccccc4)C3)C2)cc1O ZINC001203878505 1030952769 /nfs/dbraw/zinc/95/27/69/1030952769.db2.gz UYXNMHNBTHJDAR-OAQYLSRUSA-N 1 0 354.450 2.969 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC001203934188 1030992202 /nfs/dbraw/zinc/99/22/02/1030992202.db2.gz WXDTWNSONVCXPL-OAQYLSRUSA-N 1 0 367.497 2.505 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)cc1 ZINC001203946568 1031002611 /nfs/dbraw/zinc/00/26/11/1031002611.db2.gz VWKHLZUXOGEQGW-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CC[C@@H](COC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000842875669 1031007534 /nfs/dbraw/zinc/00/75/34/1031007534.db2.gz NYSMQCLQRPZSCG-MRXNPFEDSA-N 1 0 358.482 2.939 20 10 FFCDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(O)cc4O)CC[N@@H+]3C2)cc1 ZINC001204274414 1031200191 /nfs/dbraw/zinc/20/01/91/1031200191.db2.gz AFCSHROVMTWCNS-XLIONFOSSA-N 1 0 354.450 2.744 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)c(O)c1 ZINC001204275374 1031203941 /nfs/dbraw/zinc/20/39/41/1031203941.db2.gz PPAJRUTZBCGXDR-UHFFFAOYSA-N 1 0 368.359 2.619 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c1O ZINC001204339235 1031234391 /nfs/dbraw/zinc/23/43/91/1031234391.db2.gz BUQMUIKWIQTZPP-BXUZGUMPSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c1O ZINC001204342071 1031237507 /nfs/dbraw/zinc/23/75/07/1031237507.db2.gz OTGIKRAMTNZFQC-AWEZNQCLSA-N 1 0 355.276 2.832 20 10 FFCDRO CC(=O)N1CCC2(CC1)C[N@H+](Cc1cccc(C(C)(C)C)c1O)CCO2 ZINC001143107916 1031239073 /nfs/dbraw/zinc/23/90/73/1031239073.db2.gz FHWKXEWOUGCSIR-UHFFFAOYSA-N 1 0 360.498 2.903 20 10 FFCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204344914 1031240831 /nfs/dbraw/zinc/24/08/31/1031240831.db2.gz LGYPQIVVWJDTOC-ZDUSSCGKSA-N 1 0 352.431 2.548 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc(O)c1O ZINC001204347103 1031242109 /nfs/dbraw/zinc/24/21/09/1031242109.db2.gz MWDMLCUNVMBAJO-GASCZTMLSA-N 1 0 360.479 2.732 20 10 FFCDRO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(O)c(O)c(OC)c1 ZINC001204349932 1031245479 /nfs/dbraw/zinc/24/54/79/1031245479.db2.gz ZCYSCLDSZWRFQF-HNNXBMFYSA-N 1 0 369.458 2.677 20 10 FFCDRO CCOC(=O)c1ccccc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350642 1031344977 /nfs/dbraw/zinc/34/49/77/1031344977.db2.gz RRYUKKIDNSDXCW-UHFFFAOYSA-N 1 0 367.449 2.713 20 10 FFCDRO COc1cccc(C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)c1O ZINC000843409790 1031385920 /nfs/dbraw/zinc/38/59/20/1031385920.db2.gz VYTZOXJKMXAZIZ-KRWDZBQOSA-N 1 0 356.422 2.902 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000843433737 1031401502 /nfs/dbraw/zinc/40/15/02/1031401502.db2.gz IYWOPHFEFONOLV-SJLPKXTDSA-N 1 0 374.506 2.740 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799191903 1031687975 /nfs/dbraw/zinc/68/79/75/1031687975.db2.gz VDBPHJQREOVFBD-SFHVURJKSA-N 1 0 352.482 2.596 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001205509011 1031799348 /nfs/dbraw/zinc/79/93/48/1031799348.db2.gz BHIXVUOBLMUUEP-INIZCTEOSA-N 1 0 360.841 2.815 20 10 FFCDRO CCOCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276874784 1033349371 /nfs/dbraw/zinc/34/93/71/1033349371.db2.gz QNMSIHLFKLDNFJ-NRFANRHFSA-N 1 0 359.514 2.746 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccc(F)c4O)CC[N@@H+]3C2)n1 ZINC001138125294 1033802665 /nfs/dbraw/zinc/80/26/65/1033802665.db2.gz NHHWBAURBCQRCN-RBUKOAKNSA-N 1 0 371.456 2.710 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])ccc21 ZINC000831123590 1033955784 /nfs/dbraw/zinc/95/57/84/1033955784.db2.gz XZOQAGHTYALTAS-NRFANRHFSA-N 1 0 364.493 2.837 20 10 FFCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336533 1034167966 /nfs/dbraw/zinc/16/79/66/1034167966.db2.gz BVPOYHRZRCXXGN-LJQANCHMSA-N 1 0 371.525 2.972 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337759 1034168587 /nfs/dbraw/zinc/16/85/87/1034168587.db2.gz YFCWINMPNKXIMU-UHFFFAOYSA-N 1 0 358.482 2.866 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3cc(F)cc(C)c3O)C2)OCC1=O ZINC001277026183 1034172564 /nfs/dbraw/zinc/17/25/64/1034172564.db2.gz MQTMVAXSKTVTAT-FQEVSTJZSA-N 1 0 362.445 2.609 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2cnn(C)c21 ZINC001138357328 1034195334 /nfs/dbraw/zinc/19/53/34/1034195334.db2.gz QVAVYZHUHLGABM-IBGZPJMESA-N 1 0 354.498 2.938 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(OC)c1 ZINC001138387820 1034222282 /nfs/dbraw/zinc/22/22/82/1034222282.db2.gz MTQRZOSNFCMYRJ-ICSRJNTNSA-N 1 0 371.525 2.842 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000831748874 1034256008 /nfs/dbraw/zinc/25/60/08/1034256008.db2.gz QIJKBGHXMOFWDM-KSZLIROESA-N 1 0 359.514 2.664 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000831748875 1034256430 /nfs/dbraw/zinc/25/64/30/1034256430.db2.gz QIJKBGHXMOFWDM-KURKYZTESA-N 1 0 359.514 2.664 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000831753144 1034258603 /nfs/dbraw/zinc/25/86/03/1034258603.db2.gz JKJPWRCJUBESJK-HRAATJIYSA-N 1 0 365.477 2.525 20 10 FFCDRO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499131 1034339016 /nfs/dbraw/zinc/33/90/16/1034339016.db2.gz YRWFDNSEZTXNNN-UHFFFAOYSA-N 1 0 361.486 2.576 20 10 FFCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC001138499777 1034341216 /nfs/dbraw/zinc/34/12/16/1034341216.db2.gz ISDPROJJWDINQG-HXUWFJFHSA-N 1 0 369.465 2.580 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000831895575 1034389346 /nfs/dbraw/zinc/38/93/46/1034389346.db2.gz MIRBLHUDKOHGSF-LJQANCHMSA-N 1 0 353.466 2.954 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)cc1 ZINC000831895574 1034389372 /nfs/dbraw/zinc/38/93/72/1034389372.db2.gz MIRBLHUDKOHGSF-IBGZPJMESA-N 1 0 353.466 2.954 20 10 FFCDRO COc1ccc(CCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832278535 1034697194 /nfs/dbraw/zinc/69/71/94/1034697194.db2.gz DSWOVRDPEYOORC-HXUWFJFHSA-N 1 0 355.482 2.900 20 10 FFCDRO CSc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000832283994 1034701127 /nfs/dbraw/zinc/70/11/27/1034701127.db2.gz FMPSZSDXMBPENH-HNNXBMFYSA-N 1 0 374.466 2.813 20 10 FFCDRO Cc1nc2ccc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2nc1C ZINC000832292568 1034707345 /nfs/dbraw/zinc/70/73/45/1034707345.db2.gz JEFRIIYRXCGNLO-GOSISDBHSA-N 1 0 363.465 2.742 20 10 FFCDRO CC(C)C(=O)Nc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832299732 1034713918 /nfs/dbraw/zinc/71/39/18/1034713918.db2.gz GRACZLFJEFKRLZ-IBGZPJMESA-N 1 0 368.481 2.777 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4CCC[C@H]43)cc2F)CC1 ZINC001226823462 1034853832 /nfs/dbraw/zinc/85/38/32/1034853832.db2.gz CMTBCKVYJCWNPW-ZHALLVOQSA-N 1 0 374.504 2.955 20 10 FFCDRO Cc1c[nH+]ccc1N1CC[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139129568 1034958846 /nfs/dbraw/zinc/95/88/46/1034958846.db2.gz AEWLYOIZJNKOLU-UHFFFAOYSA-N 1 0 365.433 2.833 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[N@@H+]3CCC(C)(C)C3)CC2)cc1 ZINC001221685727 1034984588 /nfs/dbraw/zinc/98/45/88/1034984588.db2.gz AJJBIFHHZXQOMO-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO CCCCN(O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001221805450 1035082232 /nfs/dbraw/zinc/08/22/32/1035082232.db2.gz WKGVOCQHDGJAIB-UHFFFAOYSA-N 1 0 352.454 2.669 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001139412866 1035096940 /nfs/dbraw/zinc/09/69/40/1035096940.db2.gz QLCJNYSCSIWKTO-UHFFFAOYSA-N 1 0 355.457 2.841 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)ccc1N(C)C ZINC001139672554 1035194007 /nfs/dbraw/zinc/19/40/07/1035194007.db2.gz ZUHFIECYNCCAKR-KNQAVFIVSA-N 1 0 367.493 2.983 20 10 FFCDRO CC[NH+](CC)C[C@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC001140101905 1035341852 /nfs/dbraw/zinc/34/18/52/1035341852.db2.gz DAZUHQYVZUIOKB-ZDUSSCGKSA-N 1 0 357.292 2.697 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140101969 1035342209 /nfs/dbraw/zinc/34/22/09/1035342209.db2.gz GBUWBWBCSJLMGF-LLVKDONJSA-N 1 0 350.216 2.598 20 10 FFCDRO CN1CC2(CC1=O)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140103315 1035342846 /nfs/dbraw/zinc/34/28/46/1035342846.db2.gz JMESMUUILNICAL-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1O ZINC001140181069 1035371004 /nfs/dbraw/zinc/37/10/04/1035371004.db2.gz PDXUOWNOUBMHNH-IEBWSBKVSA-N 1 0 368.481 2.526 20 10 FFCDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC1 ZINC001140285943 1035418901 /nfs/dbraw/zinc/41/89/01/1035418901.db2.gz GCLASDVJQZHFJW-NRFANRHFSA-N 1 0 371.525 2.625 20 10 FFCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001140338380 1035443778 /nfs/dbraw/zinc/44/37/78/1035443778.db2.gz HKKFFJDFOWVKDK-KVSKMBFKSA-N 1 0 360.841 2.857 20 10 FFCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4O)C[C@H]3C2)cn1 ZINC001140465178 1035485493 /nfs/dbraw/zinc/48/54/93/1035485493.db2.gz KFZWTMXKGHMLBK-NVXWUHKLSA-N 1 0 360.889 2.733 20 10 FFCDRO CN(C)c1ccc(/C=C\CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 ZINC000835026646 1035490173 /nfs/dbraw/zinc/49/01/73/1035490173.db2.gz WSAVNILSBPCPHH-JEUZPXFCSA-N 1 0 371.525 2.869 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000835035777 1035491011 /nfs/dbraw/zinc/49/10/11/1035491011.db2.gz FHXJDWPHRBXTGK-PLNGDYQASA-N 1 0 374.506 2.838 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000835042123 1035492604 /nfs/dbraw/zinc/49/26/04/1035492604.db2.gz DFDJQFKUPOKUJH-OAJJDEHYSA-N 1 0 355.457 2.839 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1O ZINC000835054131 1035494090 /nfs/dbraw/zinc/49/40/90/1035494090.db2.gz RERLFFWEPPSBEZ-PXPVJAHISA-N 1 0 370.493 2.921 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC12CC2 ZINC001232200860 1035496519 /nfs/dbraw/zinc/49/65/19/1035496519.db2.gz AVBSEHSSMDLWGH-OAHLLOKOSA-N 1 0 364.873 2.562 20 10 FFCDRO Clc1cc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)ccc1N1CCOCC1 ZINC001232199509 1035496622 /nfs/dbraw/zinc/49/66/22/1035496622.db2.gz AVHLJQWXQHONRZ-MRXNPFEDSA-N 1 0 374.872 2.620 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202843 1035499141 /nfs/dbraw/zinc/49/91/41/1035499141.db2.gz HWHAIMOCQGVAED-ZBFHGGJFSA-N 1 0 366.889 2.950 20 10 FFCDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1)N1CCCCC1 ZINC001232261949 1035533943 /nfs/dbraw/zinc/53/39/43/1035533943.db2.gz VKZUDEMCWDGBTF-CYBMUJFWSA-N 1 0 352.862 2.976 20 10 FFCDRO CCC1=NC2(CC[NH+](Cc3cc(Cl)c(OC)cc3O)CC2)C(=O)N1C ZINC001232270574 1035540032 /nfs/dbraw/zinc/54/00/32/1035540032.db2.gz FWFYBQIJSGMCKE-UHFFFAOYSA-N 1 0 365.861 2.669 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)c(OC)c1 ZINC001140512270 1035542801 /nfs/dbraw/zinc/54/28/01/1035542801.db2.gz WEIHIUGDMQGPCQ-UHFFFAOYSA-N 1 0 366.465 2.913 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277211932 1035569698 /nfs/dbraw/zinc/56/96/98/1035569698.db2.gz CGRJABUCPKRZIY-YJYMSZOUSA-N 1 0 364.873 2.756 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001232405188 1035653820 /nfs/dbraw/zinc/65/38/20/1035653820.db2.gz HXFDGOSAKZKSJK-GOSISDBHSA-N 1 0 364.392 2.965 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCC[C@H](C(=O)OC)[C@H]2C)c2ccccc2n1C ZINC001232406093 1035654017 /nfs/dbraw/zinc/65/40/17/1035654017.db2.gz UFZLICZBCAKQJZ-KGLIPLIRSA-N 1 0 358.438 2.738 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1 ZINC001140623561 1035751709 /nfs/dbraw/zinc/75/17/09/1035751709.db2.gz VGJLPKKFRCTZRE-AZUAARDMSA-N 1 0 364.445 2.850 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2ccnc2)cc1C ZINC001227839822 1035767796 /nfs/dbraw/zinc/76/77/96/1035767796.db2.gz JTHZWYWQKZAFEW-RTBURBONSA-N 1 0 370.497 2.807 20 10 FFCDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(N(C)C)cc3O)O2)n1 ZINC001232838553 1036094654 /nfs/dbraw/zinc/09/46/54/1036094654.db2.gz LEIZDVGQCMXELV-NXHRZFHOSA-N 1 0 358.442 2.644 20 10 FFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2O)[C@H]1CO ZINC001232973896 1036203538 /nfs/dbraw/zinc/20/35/38/1036203538.db2.gz DKXUAQPHBLCDKS-MFKMUULPSA-N 1 0 361.223 2.590 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccc(I)cc2O)CC[C@H]1O ZINC001232974832 1036204731 /nfs/dbraw/zinc/20/47/31/1036204731.db2.gz SDCKWWYPXFXAAY-GXFFZTMASA-N 1 0 361.223 2.590 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001232975594 1036206791 /nfs/dbraw/zinc/20/67/91/1036206791.db2.gz HHFWKUSVMFCMNW-AWEZNQCLSA-N 1 0 359.207 2.752 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(I)cc3O)C[C@@H]21 ZINC001232977774 1036209206 /nfs/dbraw/zinc/20/92/06/1036209206.db2.gz LSXNYDJHACKMAX-FZMZJTMJSA-N 1 0 372.250 2.523 20 10 FFCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(I)cc2O)cn1 ZINC001232979639 1036212106 /nfs/dbraw/zinc/21/21/06/1036212106.db2.gz HSPVDYHCFCQWGW-UHFFFAOYSA-N 1 0 369.206 2.727 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1Br ZINC001233135359 1036385138 /nfs/dbraw/zinc/38/51/38/1036385138.db2.gz QWOGCQQOTXDUAR-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO CC[N@H+](CCn1cccn1)Cc1cc(Br)c(OC)cc1O ZINC001233140937 1036390194 /nfs/dbraw/zinc/39/01/94/1036390194.db2.gz YWIQHZVZMIIQNH-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO CNC(=O)CC[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001233197243 1036432820 /nfs/dbraw/zinc/43/28/20/1036432820.db2.gz HKXPRHJMUAXCMS-UHFFFAOYSA-N 1 0 351.244 2.876 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4C)cs2)cc1 ZINC001277344841 1036434368 /nfs/dbraw/zinc/43/43/68/1036434368.db2.gz 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COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)nc1 ZINC001233291041 1036495198 /nfs/dbraw/zinc/49/51/98/1036495198.db2.gz ILVHYULJFMGJNV-ZDUSSCGKSA-N 1 0 365.817 2.506 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c(O)c1 ZINC001140950359 1036549036 /nfs/dbraw/zinc/54/90/36/1036549036.db2.gz RDJDRKGMRTXRQT-OAQYLSRUSA-N 1 0 351.450 2.720 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)c(O)c1 ZINC001140950313 1036549427 /nfs/dbraw/zinc/54/94/27/1036549427.db2.gz QGJCNSJXAWIHNB-GOSISDBHSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c(O)c1 ZINC001140950801 1036551174 /nfs/dbraw/zinc/55/11/74/1036551174.db2.gz JGNABWVPEJHPLC-QUCCMNQESA-N 1 0 364.445 2.850 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c(O)c1 ZINC001140952625 1036556887 /nfs/dbraw/zinc/55/68/87/1036556887.db2.gz ZSTQAZFJYGBNOM-CEWLAPEOSA-N 1 0 361.482 2.876 20 10 FFCDRO COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418049 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2.850 20 10 FFCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C2)N1 ZINC001237056537 1038427020 /nfs/dbraw/zinc/42/70/20/1038427020.db2.gz VMLTVPBNCQYZRI-KRWDZBQOSA-N 1 0 372.387 2.968 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237066475 1038431302 /nfs/dbraw/zinc/43/13/02/1038431302.db2.gz WBFQCCXUCJRERA-GHMZBOCLSA-N 1 0 372.259 2.937 20 10 FFCDRO COC[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256237411 1038445446 /nfs/dbraw/zinc/44/54/46/1038445446.db2.gz ZVULPLAJWJMNDZ-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(F)C2)[NH+](C)C)cc1 ZINC001256237004 1038445856 /nfs/dbraw/zinc/44/58/56/1038445856.db2.gz OMKNIVWKGYRXTM-IEBWSBKVSA-N 1 0 350.482 2.889 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237123262 1038450717 /nfs/dbraw/zinc/45/07/17/1038450717.db2.gz OFMACMOSYSPGSZ-UHFFFAOYSA-N 1 0 356.348 2.799 20 10 FFCDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001237202411 1038474686 /nfs/dbraw/zinc/47/46/86/1038474686.db2.gz GNGHUYJFIAKSAS-GOSISDBHSA-N 1 0 354.491 2.636 20 10 FFCDRO C[N@H+](CC1=CS[C@@H](N)N1C(=O)OC(C)(C)C)Cc1ccccc1O ZINC001208665310 1038478582 /nfs/dbraw/zinc/47/85/82/1038478582.db2.gz UNIQLYSZXIPSEH-HNNXBMFYSA-N 1 0 351.472 2.892 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001276604463 1038609035 /nfs/dbraw/zinc/60/90/35/1038609035.db2.gz VWOJAZCJWHLCNC-POAQFYNOSA-N 1 0 360.498 2.803 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COCC(F)(F)C(F)F ZINC001251622078 1039211725 /nfs/dbraw/zinc/21/17/25/1039211725.db2.gz JJNIMDPEZMSYOW-OAHLLOKOSA-N 1 0 364.383 2.654 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COCC(F)(F)C(F)F)c1ccc(N(C)C)cc1 ZINC001251637514 1039220293 /nfs/dbraw/zinc/22/02/93/1039220293.db2.gz AGXBKPBPWCZWOU-FZMZJTMJSA-N 1 0 352.372 2.681 20 10 FFCDRO CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001251858988 1039326215 /nfs/dbraw/zinc/32/62/15/1039326215.db2.gz FMGLGPVXSSQMAU-WOJBJXKFSA-N 1 0 374.529 2.585 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CCN1 ZINC001246517597 1039380996 /nfs/dbraw/zinc/38/09/96/1039380996.db2.gz ALIZFYBSOKBLRH-SIXWZSSISA-N 1 0 360.498 2.906 20 10 FFCDRO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001276683884 1039540475 /nfs/dbraw/zinc/54/04/75/1039540475.db2.gz RJHAWAZOSBFQTR-MRXNPFEDSA-N 1 0 358.482 2.883 20 10 FFCDRO COCCOCN1CCC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001278490461 1039850641 /nfs/dbraw/zinc/85/06/41/1039850641.db2.gz GEFBBHQCJXPGCU-UHFFFAOYSA-N 1 0 368.905 2.954 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@@]3(O)CCC[NH2+]C3)n2)cc1 ZINC001247780055 1039947052 /nfs/dbraw/zinc/94/70/52/1039947052.db2.gz QXWKBXHBXPOBAF-FQEVSTJZSA-N 1 0 352.438 2.801 20 10 FFCDRO CN1CCOc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)N4Cc3ccc[nH]3)ccc21 ZINC001278745993 1040434995 /nfs/dbraw/zinc/43/49/95/1040434995.db2.gz LQKKDVUXOULNMM-KDURUIRLSA-N 1 0 352.482 2.692 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CNC(=O)[C@@H]3CCC[NH2+]3)n2)cc1 ZINC001248981413 1040542460 /nfs/dbraw/zinc/54/24/60/1040542460.db2.gz GXNWHEKICZCOFW-KRWDZBQOSA-N 1 0 365.437 2.512 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c(O)c1 ZINC001249207873 1040628236 /nfs/dbraw/zinc/62/82/36/1040628236.db2.gz LBLKAONTHRYSGH-MRXNPFEDSA-N 1 0 373.453 2.994 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccccc1O)CS2 ZINC001254678613 1040873622 /nfs/dbraw/zinc/87/36/22/1040873622.db2.gz DOACSVNEQDOWFV-AWEZNQCLSA-N 1 0 350.484 2.977 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CCC[N@H+](CC)CC2)c(O)c1 ZINC001249725969 1040962542 /nfs/dbraw/zinc/96/25/42/1040962542.db2.gz VBOUUSKBWQBDGR-UHFFFAOYSA-N 1 0 364.486 2.642 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)Cc2cncnc2)c(O)c1 ZINC001249742789 1040973534 /nfs/dbraw/zinc/97/35/34/1040973534.db2.gz ANRGECGZFUINEV-UHFFFAOYSA-N 1 0 359.426 2.536 20 10 FFCDRO Cc1cccc(C[NH2+][C@@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001254812875 1040975953 /nfs/dbraw/zinc/97/59/53/1040975953.db2.gz MYBHCHGCTSCUGT-MRXNPFEDSA-N 1 0 362.470 2.959 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)cc1Br ZINC001250136397 1041126813 /nfs/dbraw/zinc/12/68/13/1041126813.db2.gz PXBUPINBFJJCHR-ZDUSSCGKSA-N 1 0 351.248 2.892 20 10 FFCDRO Cc1cn(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2ccccc12 ZINC001261527632 1041293209 /nfs/dbraw/zinc/29/32/09/1041293209.db2.gz XKIZVQIMUQWHBJ-LJQANCHMSA-N 1 0 350.466 2.832 20 10 FFCDRO O=C(CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001255386875 1041314421 /nfs/dbraw/zinc/31/44/21/1041314421.db2.gz CMUFYESALWGQGZ-GOSISDBHSA-N 1 0 354.450 2.925 20 10 FFCDRO [NH3+]C1CC(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001263102443 1042105306 /nfs/dbraw/zinc/10/53/06/1042105306.db2.gz VJKHIFQFWYVXJH-RUXDESIVSA-N 1 0 353.413 2.500 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[C@@]43C[NH3+])ccc21 ZINC001263257183 1042202850 /nfs/dbraw/zinc/20/28/50/1042202850.db2.gz OEZMLMJUCWMZAY-DYESRHJHSA-N 1 0 355.482 2.858 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)cc1 ZINC001279150438 1042921007 /nfs/dbraw/zinc/92/10/07/1042921007.db2.gz YTPBLIJFLNUVOZ-PMACEKPBSA-N 1 0 352.482 2.702 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)cc(O)c1O ZINC001279233072 1042957561 /nfs/dbraw/zinc/95/75/61/1042957561.db2.gz HDNLDJIENUTSDM-UHFFFAOYSA-N 1 0 357.454 2.533 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001237214391 1043055561 /nfs/dbraw/zinc/05/55/61/1043055561.db2.gz GFBKMCJRBGGZEW-RXVVDRJESA-N 1 0 364.530 2.974 20 10 FFCDRO COc1cc(Cl)cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c1O ZINC001279476652 1043159936 /nfs/dbraw/zinc/15/99/36/1043159936.db2.gz REALTMBNULUQIP-AEFFLSMTSA-N 1 0 366.889 2.882 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N(C)C)c(C)c2)c1 ZINC001237445416 1043171059 /nfs/dbraw/zinc/17/10/59/1043171059.db2.gz VVHARWNFJCQGHY-OAQYLSRUSA-N 1 0 367.493 2.994 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001237495575 1043205986 /nfs/dbraw/zinc/20/59/86/1043205986.db2.gz SJLNYQBIAPKRDC-HXUWFJFHSA-N 1 0 362.470 2.912 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279514458 1043210408 /nfs/dbraw/zinc/21/04/08/1043210408.db2.gz SJYOGURLMZTBJQ-XJKSGUPXSA-N 1 0 366.387 2.840 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)cc1Cl ZINC001279572085 1043276890 /nfs/dbraw/zinc/27/68/90/1043276890.db2.gz SVZADWLAEAMOLV-IYBDPMFKSA-N 1 0 366.889 2.882 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c(O)c(OC)c1 ZINC001237671860 1043302227 /nfs/dbraw/zinc/30/22/27/1043302227.db2.gz BZCQJTWHUFQMOX-UHFFFAOYSA-N 1 0 374.481 2.776 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237675085 1043302719 /nfs/dbraw/zinc/30/27/19/1043302719.db2.gz SGCDVDJBQOEIQU-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(O)c(OC)c1 ZINC001237672742 1043302962 /nfs/dbraw/zinc/30/29/62/1043302962.db2.gz IPPILZVZXSOMOG-RBUKOAKNSA-N 1 0 369.465 2.653 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)n3)C2)c(O)c(OC)c1 ZINC001237682690 1043308849 /nfs/dbraw/zinc/30/88/49/1043308849.db2.gz CEMILZJMSPCYOH-OAHLLOKOSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c(O)c(OC)c1 ZINC001237683727 1043308996 /nfs/dbraw/zinc/30/89/96/1043308996.db2.gz JMHJHANNUKTKJV-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@@H]1C ZINC001237683940 1043309591 /nfs/dbraw/zinc/30/95/91/1043309591.db2.gz LPDCMFFRBLPJDU-UONOGXRCSA-N 1 0 351.443 2.821 20 10 FFCDRO Cc1cc(Cl)cc(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1O ZINC001237686267 1043312987 /nfs/dbraw/zinc/31/29/87/1043312987.db2.gz JLXCRUNOVHFERU-UHFFFAOYSA-N 1 0 365.905 2.516 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237799842 1043366076 /nfs/dbraw/zinc/36/60/76/1043366076.db2.gz IRFUMQZVAYBMKP-GFCCVEGCSA-N 1 0 352.841 2.575 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)c(O)c1 ZINC001279663972 1043426018 /nfs/dbraw/zinc/42/60/18/1043426018.db2.gz MOQIKASACYXMSF-HDICACEKSA-N 1 0 373.522 2.805 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c1O ZINC001238062823 1043508556 /nfs/dbraw/zinc/50/85/56/1043508556.db2.gz XILCOQHRTUHHQS-UHFFFAOYSA-N 1 0 355.417 2.687 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1O ZINC001238064810 1043510383 /nfs/dbraw/zinc/51/03/83/1043510383.db2.gz CFLWBOQMBBTFHE-OAHLLOKOSA-N 1 0 366.433 2.565 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)N(C)C)cc1 ZINC001279742861 1043570761 /nfs/dbraw/zinc/57/07/61/1043570761.db2.gz DVIKVQPNXLLNSW-SFHVURJKSA-N 1 0 361.555 2.929 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])Cc3ccccc3)cc2)CC1 ZINC000756383736 1043608648 /nfs/dbraw/zinc/60/86/48/1043608648.db2.gz NFVYLZYFQCOJTQ-FQEVSTJZSA-N 1 0 367.493 2.614 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3cc(C[NH+](C)C)ccn3)ccc21 ZINC001311077870 1043796675 /nfs/dbraw/zinc/79/66/75/1043796675.db2.gz VPNFTCCVJMNNRO-UHFFFAOYSA-N 1 0 353.470 2.847 20 10 FFCDRO Cn1nc(C2CC2)cc1NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001279968155 1044002337 /nfs/dbraw/zinc/00/23/37/1044002337.db2.gz GMLFENITZKOUGH-QRWLVFNGSA-N 1 0 352.438 2.606 20 10 FFCDRO Cn1ccnc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279981791 1044029907 /nfs/dbraw/zinc/02/99/07/1044029907.db2.gz GZVHJSVNXFRSIF-FCLUMBPUSA-N 1 0 374.872 2.922 20 10 FFCDRO CCN(C(=O)[C@H]1CC12C[NH+](Cc1ccc3c(c1)OCCN3C)C2)C(C)C ZINC001280080976 1044181285 /nfs/dbraw/zinc/18/12/85/1044181285.db2.gz LXTKLHMPJGLQGH-QGZVFWFLSA-N 1 0 357.498 2.594 20 10 FFCDRO O=C(NCC(F)F)C1=CC2(CC1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001280082807 1044183735 /nfs/dbraw/zinc/18/37/35/1044183735.db2.gz IDOLELAGVQDHTG-UHFFFAOYSA-N 1 0 366.408 2.782 20 10 FFCDRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2)N1CCCCO1 ZINC001280099213 1044205314 /nfs/dbraw/zinc/20/53/14/1044205314.db2.gz SMQYYVWODGNHRI-YLJYHZDGSA-N 1 0 360.454 2.644 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[NH+](C)C)cc1 ZINC001313420055 1044352183 /nfs/dbraw/zinc/35/21/83/1044352183.db2.gz WKXUNCFWNQCXSE-QKNQBKEWSA-N 1 0 374.529 2.612 20 10 FFCDRO NC(=O)C1=CC2(CC1)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001280312700 1044586718 /nfs/dbraw/zinc/58/67/18/1044586718.db2.gz GODQSUYUWQTSIK-UHFFFAOYSA-N 1 0 365.271 2.942 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)Nc3nnco3)CC2)c1O ZINC001280347031 1044635468 /nfs/dbraw/zinc/63/54/68/1044635468.db2.gz YLRDZELIEKQSSV-HNNXBMFYSA-N 1 0 356.426 2.633 20 10 FFCDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319811158 1045276837 /nfs/dbraw/zinc/27/68/37/1045276837.db2.gz VASLUTCIXDTPCX-GOSISDBHSA-N 1 0 371.500 2.961 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC(c4ncc[nH]4)CC3)cc2F)CC1 ZINC001324732433 1046192511 /nfs/dbraw/zinc/19/25/11/1046192511.db2.gz POXSXISAYCPLJS-UHFFFAOYSA-N 1 0 357.477 2.680 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CC3(CO)CC4(CCC4)C3)cc2F)CC1 ZINC001324870844 1046264492 /nfs/dbraw/zinc/26/44/92/1046264492.db2.gz VMGPGTRTJCTHCZ-UHFFFAOYSA-N 1 0 361.505 2.610 20 10 FFCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001325893125 1046678369 /nfs/dbraw/zinc/67/83/69/1046678369.db2.gz XCZJKVBJGYEOFW-FXAWDEMLSA-N 1 0 359.514 2.902 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)c(C)c2)CC1 ZINC001540398094 1070874234 /nfs/dbraw/zinc/87/42/34/1070874234.db2.gz DYOPJXKMEQAQSW-UHFFFAOYSA-N 1 0 369.465 2.729 20 10 FFCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CO2 ZINC001327239595 1047249380 /nfs/dbraw/zinc/24/93/80/1047249380.db2.gz YNOAMLSEKFWUNS-GOSISDBHSA-N 1 0 368.477 2.750 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])cc2F)CC1 ZINC001331405796 1047918246 /nfs/dbraw/zinc/91/82/46/1047918246.db2.gz WVGHDWIHKFETAP-QGZVFWFLSA-N 1 0 365.493 2.947 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331465881 1047952919 /nfs/dbraw/zinc/95/29/19/1047952919.db2.gz AIVDREBWNBZRDO-OAHLLOKOSA-N 1 0 354.445 2.529 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1F ZINC001331518841 1047981708 /nfs/dbraw/zinc/98/17/08/1047981708.db2.gz KPIPFSAWHQTDBB-ZWKOTPCHSA-N 1 0 353.457 2.764 20 10 FFCDRO COC(=O)c1oc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC001328209884 1048226354 /nfs/dbraw/zinc/22/63/54/1048226354.db2.gz SHCVSVVMBADQLQ-OAHLLOKOSA-N 1 0 358.438 2.999 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1F ZINC001328764731 1048456383 /nfs/dbraw/zinc/45/63/83/1048456383.db2.gz PPSMLEYUDIOINO-OAHLLOKOSA-N 1 0 351.441 2.912 20 10 FFCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC001330235833 1049096664 /nfs/dbraw/zinc/09/66/64/1049096664.db2.gz CTMADKQWYVHPFQ-LBPRGKRZSA-N 1 0 353.260 2.645 20 10 FFCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001330315401 1049130298 /nfs/dbraw/zinc/13/02/98/1049130298.db2.gz ISUIUMHVZJZQLZ-HRAATJIYSA-N 1 0 357.473 2.789 20 10 FFCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1CN(S(C)(=O)=O)C1 ZINC001333873334 1049152782 /nfs/dbraw/zinc/15/27/82/1049152782.db2.gz JZJWCGWZXKCLBZ-MRXNPFEDSA-N 1 0 374.506 2.847 20 10 FFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001334041916 1049214602 /nfs/dbraw/zinc/21/46/02/1049214602.db2.gz XXPTYFBYUKRVEM-BMFZPTHFSA-N 1 0 350.434 2.655 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c(O)c(C(C)(C)C)c1 ZINC001330808095 1049340130 /nfs/dbraw/zinc/34/01/30/1049340130.db2.gz JXZKAZRABNCBBJ-UHFFFAOYSA-N 1 0 361.486 2.688 20 10 FFCDRO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001331254111 1049532460 /nfs/dbraw/zinc/53/24/60/1049532460.db2.gz MSCKPMDQCIONOZ-UHFFFAOYSA-N 1 0 369.513 2.699 20 10 FFCDRO Cc1ncsc1/C=C/C(=O)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001341998234 1050594128 /nfs/dbraw/zinc/59/41/28/1050594128.db2.gz AJCPZDMZRIKVSN-BUWFCSEKSA-N 1 0 369.490 2.974 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001542490754 1071242431 /nfs/dbraw/zinc/24/24/31/1071242431.db2.gz XQSFPIOBVRJXDF-YLJYHZDGSA-N 1 0 361.530 2.848 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001308010769 1052383541 /nfs/dbraw/zinc/38/35/41/1052383541.db2.gz YYHREORMNPTKGU-JYJNAYRXSA-N 1 0 370.449 2.730 20 10 FFCDRO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308304247 1052444371 /nfs/dbraw/zinc/44/43/71/1052444371.db2.gz XRJQLWXJODPLGJ-FQEVSTJZSA-N 1 0 357.473 2.709 20 10 FFCDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001308668449 1052484327 /nfs/dbraw/zinc/48/43/27/1052484327.db2.gz FQLQTDJYYXTBKF-UHFFFAOYSA-N 1 0 370.814 2.517 20 10 FFCDRO COC(=O)c1c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c2cc(F)ccc2n1C ZINC001308904168 1052515845 /nfs/dbraw/zinc/51/58/45/1052515845.db2.gz IWERUDNSEHHUOZ-GUYCJALGSA-N 1 0 359.445 2.630 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001346140914 1052765645 /nfs/dbraw/zinc/76/56/45/1052765645.db2.gz IDKILQBMQCXYSP-OALUTQOASA-N 1 0 362.518 2.646 20 10 FFCDRO Nc1ccc(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001346632897 1053170631 /nfs/dbraw/zinc/17/06/31/1053170631.db2.gz KUIOTENDMHRZLE-UHFFFAOYSA-N 1 0 352.482 2.775 20 10 FFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c(O)c1OC ZINC001335468440 1053384266 /nfs/dbraw/zinc/38/42/66/1053384266.db2.gz ZKICWMFIPORBGY-SFHVURJKSA-N 1 0 353.365 2.685 20 10 FFCDRO CCCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)n1 ZINC001336113593 1053777647 /nfs/dbraw/zinc/77/76/47/1053777647.db2.gz DWGJNFPGNMQKSO-IBGZPJMESA-N 1 0 357.502 2.700 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1O ZINC000848897141 1055324009 /nfs/dbraw/zinc/32/40/09/1055324009.db2.gz FJBXHIJJNPHMRN-IBGZPJMESA-N 1 0 370.449 2.867 20 10 FFCDRO CCCCCCNC(=[NH2+])NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000849066926 1055620638 /nfs/dbraw/zinc/62/06/38/1055620638.db2.gz QFUQUOITALTQQH-UHFFFAOYSA-N 1 0 361.534 2.511 20 10 FFCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000849091152 1055636356 /nfs/dbraw/zinc/63/63/56/1055636356.db2.gz VQYRHBMNQQTFMF-LJQANCHMSA-N 1 0 366.465 2.661 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001350243260 1055689481 /nfs/dbraw/zinc/68/94/81/1055689481.db2.gz HJYRNOWPCLINOJ-MRXNPFEDSA-N 1 0 368.472 2.917 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+]CCC23CCOCC3)cc1 ZINC001353229745 1056210467 /nfs/dbraw/zinc/21/04/67/1056210467.db2.gz CISHFRBLRNOUDM-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001353393674 1056361148 /nfs/dbraw/zinc/36/11/48/1056361148.db2.gz UHYVVJCLQFFETP-LPHOPBHVSA-N 1 0 352.482 2.979 20 10 FFCDRO Fc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1N1CCOCC1 ZINC000849350496 1056835739 /nfs/dbraw/zinc/83/57/39/1056835739.db2.gz ZNWIDLYKLUTJGT-TZIWHRDSSA-N 1 0 369.484 2.898 20 10 FFCDRO Oc1cc(Br)ccc1CNC(=S)NCC[NH+]1CCCCC1 ZINC001200446914 1058215244 /nfs/dbraw/zinc/21/52/44/1058215244.db2.gz TZPQIFUODSVYAC-UHFFFAOYSA-N 1 0 372.332 2.605 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848426899 1059989632 /nfs/dbraw/zinc/98/96/32/1059989632.db2.gz IIYRGMQHYCTOJD-TUNNFDKTSA-N 1 0 371.525 2.650 20 10 FFCDRO C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000848502460 1060185153 /nfs/dbraw/zinc/18/51/53/1060185153.db2.gz MWKLHUVFNAAYDV-IAQYHMDHSA-N 1 0 367.371 2.972 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458617824 1060636715 /nfs/dbraw/zinc/63/67/15/1060636715.db2.gz LAAMMDGZKVUBKE-SECOEOQKSA-N 1 0 367.405 2.932 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc4cnccn34)cc2F)C[C@@H](C)O1 ZINC001461064659 1061201004 /nfs/dbraw/zinc/20/10/04/1061201004.db2.gz CVERDOJJELXPLH-HUUCEWRRSA-N 1 0 369.444 2.772 20 10 FFCDRO CC[C@H]1C[C@H](C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC001461111735 1061216022 /nfs/dbraw/zinc/21/60/22/1061216022.db2.gz BYCIXAVVMGSSEJ-QUCCMNQESA-N 1 0 361.530 2.612 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)Cc1ccccc1 ZINC001461363647 1061300378 /nfs/dbraw/zinc/30/03/78/1061300378.db2.gz JSQRHKHKHVNPNO-HTAPYJJXSA-N 1 0 371.500 2.659 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H](O)Cc1ccccc1 ZINC001461363653 1061300843 /nfs/dbraw/zinc/30/08/43/1061300843.db2.gz JSQRHKHKHVNPNO-VGOFRKELSA-N 1 0 371.500 2.659 20 10 FFCDRO CN(CCOCC[N@H+](C)Cc1cc(F)c(F)cc1[O-])C(=O)OC(C)(C)C ZINC001462441293 1061624344 /nfs/dbraw/zinc/62/43/44/1061624344.db2.gz SQJHJMVVMJUOLR-UHFFFAOYSA-N 1 0 374.428 2.986 20 10 FFCDRO CO[C@]1(C)CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001479532494 1062501390 /nfs/dbraw/zinc/50/13/90/1062501390.db2.gz DAQSTRIQRQSSRI-AZUAARDMSA-N 1 0 362.518 2.566 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3coc(C(C)(C)C)n3)cc2)CC1 ZINC001438901327 1063067711 /nfs/dbraw/zinc/06/77/11/1063067711.db2.gz KVXHQPVDQTZCDZ-UHFFFAOYSA-N 1 0 356.470 2.654 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001465532422 1063125528 /nfs/dbraw/zinc/12/55/28/1063125528.db2.gz BYFSXVMPISDILI-GJZGRUSLSA-N 1 0 369.456 2.961 20 10 FFCDRO CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1 ZINC001439958987 1063241858 /nfs/dbraw/zinc/24/18/58/1063241858.db2.gz ARCIYLJYNJFDLP-WOJBJXKFSA-N 1 0 355.482 2.859 20 10 FFCDRO COc1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC001466182433 1063357087 /nfs/dbraw/zinc/35/70/87/1063357087.db2.gz MROVYPBGDPUBKT-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]3C3CCCC3)cc2)CC1 ZINC001471191644 1064596434 /nfs/dbraw/zinc/59/64/34/1064596434.db2.gz QOZAAUSTGVGWBG-FQEVSTJZSA-N 1 0 356.514 2.913 20 10 FFCDRO C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H]1F ZINC001471545349 1064711899 /nfs/dbraw/zinc/71/18/99/1064711899.db2.gz QVYPFWPXSPYSOQ-ZTFGCOKTSA-N 1 0 350.482 2.745 20 10 FFCDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001473237306 1065227619 /nfs/dbraw/zinc/22/76/19/1065227619.db2.gz BRFVHJCMFMZIJI-OALUTQOASA-N 1 0 361.530 2.894 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C ZINC001474019581 1065441972 /nfs/dbraw/zinc/44/19/72/1065441972.db2.gz DQLNEPJZDBIPOO-RTWAWAEBSA-N 1 0 354.494 2.976 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)C[C@H]1C(F)(F)F ZINC001474695889 1065582822 /nfs/dbraw/zinc/58/28/22/1065582822.db2.gz XFXAOGZWZPDXFB-ZIAGYGMSSA-N 1 0 361.360 2.883 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[NH2+]C2)n1CC(F)(F)F ZINC001578496353 1078483076 /nfs/dbraw/zinc/48/30/76/1078483076.db2.gz CUUKJEHXLRGNPJ-GFCCVEGCSA-N 1 0 369.391 2.649 20 10 FFCDRO CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968278 1076314411 /nfs/dbraw/zinc/31/44/11/1076314411.db2.gz JAHPEERSHYABJT-HUUCEWRRSA-N 1 0 361.392 2.675 20 10 FFCDRO Cc1c(C)n(C)c2ccc(OS(=O)(=O)CCC[NH+]3CCCC3)cc12 ZINC001561663739 1076404555 /nfs/dbraw/zinc/40/45/55/1076404555.db2.gz AHCRCZYFWNQTIQ-UHFFFAOYSA-N 1 0 350.484 2.990 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCc4ccccc43)cc2)CC1 ZINC001561873143 1076437475 /nfs/dbraw/zinc/43/74/75/1076437475.db2.gz APLRPTREKWIJJM-UHFFFAOYSA-N 1 0 350.466 2.711 20 10 FFCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCCO1 ZINC001564991414 1076676454 /nfs/dbraw/zinc/67/64/54/1076676454.db2.gz RAZTUNMDVURGBA-WOJBJXKFSA-N 1 0 374.529 2.585 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)/C=C/Cl)cc2)CC1 ZINC001565272815 1076707491 /nfs/dbraw/zinc/70/74/91/1076707491.db2.gz CGQHIVLARPFTIH-CMDGGOBGSA-N 1 0 350.894 2.769 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC(C)(C)[NH+](C)C)CCCC1 ZINC001586819909 1079689963 /nfs/dbraw/zinc/68/99/63/1079689963.db2.gz HHSARKAXNWPCJR-UHFFFAOYSA-N 1 0 357.498 2.985 20 10 FFCDRO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054571517 506578354 /nfs/dbraw/zinc/57/83/54/506578354.db2.gz VNUGVSUTZCLGCZ-UHFFFAOYSA-N 1 0 360.435 2.531 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090803356 507936875 /nfs/dbraw/zinc/93/68/75/507936875.db2.gz GRCBMQBYDPWPQE-WMZOPIPTSA-N 1 0 370.472 2.987 20 10 FFCDRO COc1cccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1O ZINC000074824611 508058889 /nfs/dbraw/zinc/05/88/89/508058889.db2.gz SQMICVGUPLVEGE-UHFFFAOYSA-N 1 0 355.438 2.637 20 10 FFCDRO O=C(CC1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269377 508514915 /nfs/dbraw/zinc/51/49/15/508514915.db2.gz ODYYNZKXPQWAAK-QGZVFWFLSA-N 1 0 366.889 2.943 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000371451525 512409794 /nfs/dbraw/zinc/40/97/94/512409794.db2.gz RYJMLOFQEKPBQU-KNQAVFIVSA-N 1 0 370.493 2.738 20 10 FFCDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000129625167 508747816 /nfs/dbraw/zinc/74/78/16/508747816.db2.gz ORYHPCURHHLREN-UHFFFAOYSA-N 1 0 368.481 2.929 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])CCSC ZINC000121511071 509177263 /nfs/dbraw/zinc/17/72/63/509177263.db2.gz IEOPRHXHUBLRLH-GFCCVEGCSA-N 1 0 361.305 2.584 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1C ZINC000185853270 509387641 /nfs/dbraw/zinc/38/76/41/509387641.db2.gz XMVGWMNIJXSPET-UHFFFAOYSA-N 1 0 360.479 2.839 20 10 FFCDRO Cc1ccc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c(O)c1O ZINC000179466460 509457681 /nfs/dbraw/zinc/45/76/81/509457681.db2.gz LHJRXHSRPMEWNF-UHFFFAOYSA-N 1 0 369.465 2.580 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nc(COC)ns3)cc2F)CC1 ZINC000267395881 509467181 /nfs/dbraw/zinc/46/71/81/509467181.db2.gz OHBTUHQCEGASAE-UHFFFAOYSA-N 1 0 365.478 2.578 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186029463 509489651 /nfs/dbraw/zinc/48/96/51/509489651.db2.gz KLTHZWPEZMNBHV-ZJUUUORDSA-N 1 0 350.278 2.629 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1O ZINC000186375711 509677946 /nfs/dbraw/zinc/67/79/46/509677946.db2.gz JQEWJWDGSFEZPL-YPMHNXCESA-N 1 0 372.259 2.727 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000183467747 509809153 /nfs/dbraw/zinc/80/91/53/509809153.db2.gz AOCLHPVBORNYLP-YJBOKZPZSA-N 1 0 354.450 2.810 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CCOCC2)c1O ZINC000187386322 510235730 /nfs/dbraw/zinc/23/57/30/510235730.db2.gz HDCODJNVHXFLAK-LBPRGKRZSA-N 1 0 358.276 2.903 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3nccnc3C)CC2)cc1 ZINC000187711027 510396271 /nfs/dbraw/zinc/39/62/71/510396271.db2.gz HCQSCTXXZPPTIN-KRWDZBQOSA-N 1 0 369.513 2.657 20 10 FFCDRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)Cc1ccccc1O ZINC000171926980 510456360 /nfs/dbraw/zinc/45/63/60/510456360.db2.gz QQWSPMBUKRREIS-MRXNPFEDSA-N 1 0 369.465 2.688 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217914 510552413 /nfs/dbraw/zinc/55/24/13/510552413.db2.gz XRLHOVYJBBDOOK-QWRGUYRKSA-N 1 0 370.421 2.990 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1CCCCCC1 ZINC000175529298 510670708 /nfs/dbraw/zinc/67/07/08/510670708.db2.gz MXYHKVMKPSGNHZ-GOSISDBHSA-N 1 0 373.541 2.776 20 10 FFCDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834157 510796352 /nfs/dbraw/zinc/79/63/52/510796352.db2.gz QTOYVKZPVPRRGT-UONOGXRCSA-N 1 0 353.413 2.515 20 10 FFCDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)ccc1O ZINC000185344197 510815503 /nfs/dbraw/zinc/81/55/03/510815503.db2.gz TWZLEDKRMWGNAP-DNVCBOLYSA-N 1 0 372.440 2.652 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1O ZINC000275465691 510901511 /nfs/dbraw/zinc/90/15/11/510901511.db2.gz HMFWTXJJWMSPRE-ZFWWWQNUSA-N 1 0 366.259 2.816 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282289497 510917262 /nfs/dbraw/zinc/91/72/62/510917262.db2.gz BWAYCJBAIPPHEE-JKSUJKDBSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1O ZINC000360775638 510947510 /nfs/dbraw/zinc/94/75/10/510947510.db2.gz JQWBQMJUTHCLGA-FUHWJXTLSA-N 1 0 373.428 2.785 20 10 FFCDRO COc1ccc(N2CCN(Cc3cnn(CC(F)F)c3)CC2)cc1F ZINC000294111094 510958999 /nfs/dbraw/zinc/95/89/99/510958999.db2.gz FVGCAZYJEUYKTO-UHFFFAOYSA-N 1 0 354.376 2.618 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000278550306 510999051 /nfs/dbraw/zinc/99/90/51/510999051.db2.gz YYTVVYKGSILHJX-OCCSQVGLSA-N 1 0 364.442 2.999 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271057998 511071514 /nfs/dbraw/zinc/07/15/14/511071514.db2.gz BGZRQKYNSQFUPE-UHFFFAOYSA-N 1 0 366.458 2.852 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1OC ZINC000271089537 511079291 /nfs/dbraw/zinc/07/92/91/511079291.db2.gz KJWOLBKSQPBVJA-AWEZNQCLSA-N 1 0 366.458 2.851 20 10 FFCDRO CCCOc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)c(O)c1 ZINC000271201215 511117241 /nfs/dbraw/zinc/11/72/41/511117241.db2.gz UIARHLSQAQPYCR-UHFFFAOYSA-N 1 0 351.365 2.554 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](CC)c2ccccc2O)CC1 ZINC000294764405 511171025 /nfs/dbraw/zinc/17/10/25/511171025.db2.gz JLQLJPQKWHIAPF-IZHWHUGBSA-N 1 0 353.484 2.620 20 10 FFCDRO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271462993 511212214 /nfs/dbraw/zinc/21/22/14/511212214.db2.gz GIDBIXXTTIZEDH-AWEZNQCLSA-N 1 0 363.408 2.926 20 10 FFCDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)NC(=O)OC(C)(C)C ZINC000294985136 511244478 /nfs/dbraw/zinc/24/44/78/511244478.db2.gz GZADYCUOTDSQJV-ZDUSSCGKSA-N 1 0 354.447 2.802 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000295110932 511286065 /nfs/dbraw/zinc/28/60/65/511286065.db2.gz WDPKLZVXIKNKKD-GOSISDBHSA-N 1 0 371.481 2.921 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc21 ZINC000365224752 511326554 /nfs/dbraw/zinc/32/65/54/511326554.db2.gz OIDNQUHOWITEOZ-QFBILLFUSA-N 1 0 355.482 2.729 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298630878 511354387 /nfs/dbraw/zinc/35/43/87/511354387.db2.gz BLZXPKCEIOSJFP-GOSISDBHSA-N 1 0 363.502 2.815 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCCN3CCCO[C@H](C)C3)CC2)cc1 ZINC000365330472 511383667 /nfs/dbraw/zinc/38/36/67/511383667.db2.gz LUQRMDOYXKCFSW-GOSISDBHSA-N 1 0 361.530 2.755 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000295678491 511479260 /nfs/dbraw/zinc/47/92/60/511479260.db2.gz GTXGRQUJVYFZKN-UHFFFAOYSA-N 1 0 371.525 2.746 20 10 FFCDRO CCOCCOCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295863229 511539415 /nfs/dbraw/zinc/53/94/15/511539415.db2.gz CCXSAXSVCFNNBU-UHFFFAOYSA-N 1 0 350.503 2.787 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN2CCC=C(c3cccnc3)C2)cc1 ZINC000295994689 511582375 /nfs/dbraw/zinc/58/23/75/511582375.db2.gz PGDLEUUZJNZVEH-UHFFFAOYSA-N 1 0 350.466 2.553 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000299316216 511589323 /nfs/dbraw/zinc/58/93/23/511589323.db2.gz HAKLYPCQCXLPCS-QGZVFWFLSA-N 1 0 370.419 2.806 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000299316214 511589475 /nfs/dbraw/zinc/58/94/75/511589475.db2.gz HAKLYPCQCXLPCS-KRWDZBQOSA-N 1 0 370.419 2.806 20 10 FFCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)CC2 ZINC000280848838 511626731 /nfs/dbraw/zinc/62/67/31/511626731.db2.gz LFUJSVRZORDPKX-CYBMUJFWSA-N 1 0 353.392 2.776 20 10 FFCDRO COCCOC[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000296291414 511687389 /nfs/dbraw/zinc/68/73/89/511687389.db2.gz LVARHNGASLFJRE-FXAWDEMLSA-N 1 0 359.466 2.979 20 10 FFCDRO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](CC4CCCCC4)CC3)cc2N1 ZINC000301668857 511699157 /nfs/dbraw/zinc/69/91/57/511699157.db2.gz DHTWOFZTDJXAOB-UHFFFAOYSA-N 1 0 374.441 2.628 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)C(C)(F)F)CC2)cc1 ZINC000292926493 511775139 /nfs/dbraw/zinc/77/51/39/511775139.db2.gz ZWKVNPZDFNWPAK-OAHLLOKOSA-N 1 0 369.456 2.615 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(C(=O)N(C)C)CC3)cc2)CC1 ZINC000296590315 511809932 /nfs/dbraw/zinc/80/99/32/511809932.db2.gz RWHVMFOFZLBCCL-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)N[C@H](C(N)=O)c2ccccn2)c1O ZINC000296633372 511829362 /nfs/dbraw/zinc/82/93/62/511829362.db2.gz BLTLWVRWYYWBHR-HZMBPMFUSA-N 1 0 364.243 2.735 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000363913172 511846914 /nfs/dbraw/zinc/84/69/14/511846914.db2.gz GTQTUOLKSMOBIY-QRVBRYPASA-N 1 0 373.497 2.710 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274760505 511933486 /nfs/dbraw/zinc/93/34/86/511933486.db2.gz JZLGBJWKBALNIA-KGLIPLIRSA-N 1 0 354.248 2.663 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369859030 512651704 /nfs/dbraw/zinc/65/17/04/512651704.db2.gz LUPHVXLSYVNDOB-PMACEKPBSA-N 1 0 374.529 2.536 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC000378443375 512761809 /nfs/dbraw/zinc/76/18/09/512761809.db2.gz MXKMZJGUFANGIX-UHFFFAOYSA-N 1 0 354.244 2.992 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000370616380 513016853 /nfs/dbraw/zinc/01/68/53/513016853.db2.gz SSKGVNFZNLZRMM-AEFFLSMTSA-N 1 0 359.514 2.901 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1csc(=O)[nH]1 ZINC000377066244 513105924 /nfs/dbraw/zinc/10/59/24/513105924.db2.gz HGYLJNNBMODOIE-LBPRGKRZSA-N 1 0 367.858 2.602 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCOCC2CC2)C1 ZINC000444176322 514144740 /nfs/dbraw/zinc/14/47/40/514144740.db2.gz OXYMPAVBIFVVHE-UHFFFAOYSA-N 1 0 369.509 2.951 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(C)nc1C ZINC000472812129 515407453 /nfs/dbraw/zinc/40/74/53/515407453.db2.gz YLUBHKDZYKWYMA-UHFFFAOYSA-N 1 0 350.422 2.753 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3c[nH]nc3C2)C1 ZINC000615134558 521286800 /nfs/dbraw/zinc/28/68/00/521286800.db2.gz QMSFRDBNSDKZPF-UHFFFAOYSA-N 1 0 363.465 2.673 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1-c1nn[nH]n1 ZINC000821818038 599423514 /nfs/dbraw/zinc/42/35/14/599423514.db2.gz IPUHWQHJQQPNQU-UHFFFAOYSA-N 1 0 364.453 2.548 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000154815840 728812798 /nfs/dbraw/zinc/81/27/98/728812798.db2.gz MBIWEGQABZXJGO-CYBMUJFWSA-N 1 0 367.287 2.893 20 10 FFCDRO OC[C@H]1CCCN(c2cc(NCCCSc3nccs3)ncn2)C1 ZINC000156410877 728850552 /nfs/dbraw/zinc/85/05/52/728850552.db2.gz BUVCBUZDUBCJFD-ZDUSSCGKSA-N 1 0 365.528 2.736 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cn4ccnc4s3)SC2=S)CC1 ZINC000899260380 735467526 /nfs/dbraw/zinc/46/75/26/735467526.db2.gz FESFLBWWXNRMRW-XYOKQWHBSA-N 1 0 364.521 2.691 20 10 FFCDRO CCN(C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C(C)C ZINC000107058775 728514897 /nfs/dbraw/zinc/51/48/97/728514897.db2.gz BQCOUEQZUSOMLY-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000119169587 728588965 /nfs/dbraw/zinc/58/89/65/728588965.db2.gz SIBBNSZFSOBJFS-HOCLYGCPSA-N 1 0 364.239 2.911 20 10 FFCDRO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121038607 728619538 /nfs/dbraw/zinc/61/95/38/728619538.db2.gz WTXSFSFFQRKDNW-INIZCTEOSA-N 1 0 350.459 2.898 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000182404592 729277008 /nfs/dbraw/zinc/27/70/08/729277008.db2.gz ZUZHRLLRCGVKEO-NSHDSACASA-N 1 0 364.471 2.740 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000186024778 729359400 /nfs/dbraw/zinc/35/94/00/729359400.db2.gz HEMFXQPNCJGNPH-LLVKDONJSA-N 1 0 350.365 2.760 20 10 FFCDRO C[C@@](O)(C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)F ZINC000905082101 736293820 /nfs/dbraw/zinc/29/38/20/736293820.db2.gz KATMGCQKWOFSTF-MRXNPFEDSA-N 1 0 350.356 2.863 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000302108549 729732086 /nfs/dbraw/zinc/73/20/86/729732086.db2.gz NHVVRTLSFNHUPD-GJZGRUSLSA-N 1 0 350.459 2.987 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccncc3Cl)CC2)cc1 ZINC000858114104 730416944 /nfs/dbraw/zinc/41/69/44/730416944.db2.gz WLLVHMVALYGOIA-UHFFFAOYSA-N 1 0 360.889 2.655 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858137954 730417517 /nfs/dbraw/zinc/41/75/17/730417517.db2.gz JGLFOEVPARRPJF-NWDGAFQWSA-N 1 0 355.276 2.891 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000858170184 730418559 /nfs/dbraw/zinc/41/85/59/730418559.db2.gz IUNCGEIGMPFLCH-CYBMUJFWSA-N 1 0 354.219 2.987 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3Br)C2)cc1 ZINC000858186927 730419106 /nfs/dbraw/zinc/41/91/06/730419106.db2.gz OVUSJJZXGDSACR-CYBMUJFWSA-N 1 0 365.275 2.560 20 10 FFCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)[C@@]1(O)CCCOC1 ZINC000858195488 730419374 /nfs/dbraw/zinc/41/93/74/730419374.db2.gz YHRSBXDMKNNLFN-MRXNPFEDSA-N 1 0 358.276 2.812 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000858498641 730427336 /nfs/dbraw/zinc/42/73/36/730427336.db2.gz SSRPMVQEEYKXDQ-RBSFLKMASA-N 1 0 360.907 2.947 20 10 FFCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779609073 738472296 /nfs/dbraw/zinc/47/22/96/738472296.db2.gz OZNDTWARTBJQAR-SFHVURJKSA-N 1 0 360.479 2.573 20 10 FFCDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2c(O)cccc2Br)CN1 ZINC000862253059 730682687 /nfs/dbraw/zinc/68/26/87/730682687.db2.gz KPYHHMLHQAEWJS-FZMZJTMJSA-N 1 0 353.260 2.645 20 10 FFCDRO CC(C)n1ncnc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000865462367 730958204 /nfs/dbraw/zinc/95/82/04/730958204.db2.gz MOJDXYCOJFMUGZ-INIZCTEOSA-N 1 0 363.893 2.972 20 10 FFCDRO Fc1cc(CN[C@H]2CC[NH2+]C23CCCC3)cc(F)c1N1CCOCC1 ZINC000925697268 738524333 /nfs/dbraw/zinc/52/43/33/738524333.db2.gz WZWZXTYOJYKUFB-KRWDZBQOSA-N 1 0 351.441 2.566 20 10 FFCDRO O=C(NCCCSc1nccs1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870886885 731570477 /nfs/dbraw/zinc/57/04/77/731570477.db2.gz UAQAQOWVXLWSFK-UHFFFAOYSA-N 1 0 368.553 2.979 20 10 FFCDRO O=C1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1 ZINC000873063816 731870180 /nfs/dbraw/zinc/87/01/80/731870180.db2.gz FVBAKPMECKMAFM-KBPBESRZSA-N 1 0 353.413 2.515 20 10 FFCDRO CCOCc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1OC ZINC000873171081 731884060 /nfs/dbraw/zinc/88/40/60/731884060.db2.gz CJPDHVQWKSFRPY-ZNXRZULTSA-N 1 0 367.511 2.677 20 10 FFCDRO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000876717560 732272057 /nfs/dbraw/zinc/27/20/57/732272057.db2.gz DGBXDPAERBWRTG-SJORKVTESA-N 1 0 358.404 2.535 20 10 FFCDRO O=C1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCN1 ZINC000877071047 732321175 /nfs/dbraw/zinc/32/11/75/732321175.db2.gz CIDPWBIZEZPCNQ-KBPBESRZSA-N 1 0 353.413 2.515 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000877578394 732392611 /nfs/dbraw/zinc/39/26/11/732392611.db2.gz DBCPAQOVIHPSOW-OAHLLOKOSA-N 1 0 350.459 2.816 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)c2ccccc2O)cc(Cl)c1OCC(N)=O ZINC000877756469 732423993 /nfs/dbraw/zinc/42/39/93/732423993.db2.gz KLPWQHPAQDRQMY-LLVKDONJSA-N 1 0 364.829 2.769 20 10 FFCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558566 738630169 /nfs/dbraw/zinc/63/01/69/738630169.db2.gz GRHCOTRFPZTLSC-QAPCUYQASA-N 1 0 354.441 2.952 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1O ZINC000879648909 732742652 /nfs/dbraw/zinc/74/26/52/732742652.db2.gz FZCKPWQTGOJHOC-GFCCVEGCSA-N 1 0 350.365 2.961 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1O ZINC000927130769 738694695 /nfs/dbraw/zinc/69/46/95/738694695.db2.gz OKOGVAMUXZOVJW-YGRLFVJLSA-N 1 0 354.248 2.581 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000725841473 734395833 /nfs/dbraw/zinc/39/58/33/734395833.db2.gz JVLXVYUJSQWAAC-INIZCTEOSA-N 1 0 361.511 2.541 20 10 FFCDRO [NH3+][C@H]1CCCCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000891370153 734420607 /nfs/dbraw/zinc/42/06/07/734420607.db2.gz VZJMWEDACUHDOW-KRWDZBQOSA-N 1 0 362.543 2.653 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(O)c1OC ZINC000891601114 734450694 /nfs/dbraw/zinc/45/06/94/734450694.db2.gz ZGTWMQSQYDPEDK-UHFFFAOYSA-N 1 0 363.845 2.780 20 10 FFCDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000891813272 734479107 /nfs/dbraw/zinc/47/91/07/734479107.db2.gz JLZMNEXZWXTHBP-CORIIIEPSA-N 1 0 358.408 2.592 20 10 FFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891856363 734484589 /nfs/dbraw/zinc/48/45/89/734484589.db2.gz UEKRHTZAWHDUIQ-AWEZNQCLSA-N 1 0 350.459 2.538 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(O)c1OC ZINC000893318293 734685420 /nfs/dbraw/zinc/68/54/20/734685420.db2.gz FOKILUYEKZKNIN-OAHLLOKOSA-N 1 0 351.443 2.965 20 10 FFCDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000893398080 734697520 /nfs/dbraw/zinc/69/75/20/734697520.db2.gz HOKKQSKEAQPXQK-UHFFFAOYSA-N 1 0 369.893 2.734 20 10 FFCDRO CN(Cc1c2c(nn1C)CCSC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000894462570 734862356 /nfs/dbraw/zinc/86/23/56/734862356.db2.gz YCWZPYZKPIPPEJ-UHFFFAOYSA-N 1 0 360.527 2.786 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000894689841 734900845 /nfs/dbraw/zinc/90/08/45/734900845.db2.gz NCUAEZQNZQMPJT-VXGBXAGGSA-N 1 0 354.447 2.801 20 10 FFCDRO C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895451155 735008177 /nfs/dbraw/zinc/00/81/77/735008177.db2.gz ISRMEUYODXWCHX-YOEHRIQHSA-N 1 0 353.304 2.911 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC(F)(F)C1 ZINC000895814592 735058829 /nfs/dbraw/zinc/05/88/29/735058829.db2.gz QDBIBNJPERYQOC-ZDUSSCGKSA-N 1 0 351.441 2.912 20 10 FFCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000740856128 735092295 /nfs/dbraw/zinc/09/22/95/735092295.db2.gz NQPZBJZXTCACER-AWEZNQCLSA-N 1 0 353.484 2.876 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896396652 735153084 /nfs/dbraw/zinc/15/30/84/735153084.db2.gz QLWWTOOCXIPHSI-SJKOYZFVSA-N 1 0 354.834 2.765 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c1O ZINC000896978041 735190493 /nfs/dbraw/zinc/19/04/93/735190493.db2.gz LQNYQGCCFGIRQS-LJQANCHMSA-N 1 0 350.459 2.552 20 10 FFCDRO CCC[N@H+](C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742805169 735257113 /nfs/dbraw/zinc/25/71/13/735257113.db2.gz HQCDGJRAWIPQDY-CQSZACIVSA-N 1 0 355.429 2.715 20 10 FFCDRO CCc1cc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)c(O)c(C(C)(C)C)c1 ZINC000749968160 735763741 /nfs/dbraw/zinc/76/37/41/735763741.db2.gz GTDGWWNIPILJBG-MRXNPFEDSA-N 1 0 368.543 2.766 20 10 FFCDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000751152778 735850027 /nfs/dbraw/zinc/85/00/27/735850027.db2.gz OZYYWPHTAJHHMN-VWLOTQADSA-N 1 0 362.470 2.690 20 10 FFCDRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000755527649 736259454 /nfs/dbraw/zinc/25/94/54/736259454.db2.gz AISRHNSXIXXPQW-QAPCUYQASA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756104049 736307438 /nfs/dbraw/zinc/30/74/38/736307438.db2.gz YVFLTWPXYLXHEX-CXAGYDPISA-N 1 0 357.420 2.582 20 10 FFCDRO CC[C@](O)(C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000905282905 736322157 /nfs/dbraw/zinc/32/21/57/736322157.db2.gz BRLUFXXRQHKAKQ-HNNXBMFYSA-N 1 0 368.346 2.594 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000757706279 736421384 /nfs/dbraw/zinc/42/13/84/736421384.db2.gz VWDXGNHORHBHRP-WFASDCNBSA-N 1 0 370.490 2.731 20 10 FFCDRO Cc1[nH]nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC000761983504 736779176 /nfs/dbraw/zinc/77/91/76/736779176.db2.gz SNCGCFDAYIGUDU-OAHLLOKOSA-N 1 0 362.861 2.780 20 10 FFCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000763558491 736947613 /nfs/dbraw/zinc/94/76/13/736947613.db2.gz JNFWYXCQVSLDGR-ABAIWWIYSA-N 1 0 358.276 2.983 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@]12CCOC2 ZINC000764257466 737005884 /nfs/dbraw/zinc/00/58/84/737005884.db2.gz HLANPHFHQJCBDO-GPMSIDNRSA-N 1 0 364.873 2.553 20 10 FFCDRO CC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000765175987 737091321 /nfs/dbraw/zinc/09/13/21/737091321.db2.gz HBELRXTVZOYKDB-ZBFHGGJFSA-N 1 0 354.878 2.533 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000765445419 737119619 /nfs/dbraw/zinc/11/96/19/737119619.db2.gz SMEKFEYVNLRPDE-CHWSQXEVSA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766030696 737184761 /nfs/dbraw/zinc/18/47/61/737184761.db2.gz UKYYUIBHFQVDRH-CQSZACIVSA-N 1 0 365.905 2.873 20 10 FFCDRO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054982 737689761 /nfs/dbraw/zinc/68/97/61/737689761.db2.gz ASGXYEDUFBCOGD-HLLBOEOZSA-N 1 0 352.862 2.551 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=CCCCO1 ZINC000771060033 737690455 /nfs/dbraw/zinc/69/04/55/737690455.db2.gz SLDNYXYBXFCKEZ-HNNXBMFYSA-N 1 0 350.846 2.821 20 10 FFCDRO CO[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416589 737724749 /nfs/dbraw/zinc/72/47/49/737724749.db2.gz IIIFDQKQMPPGAL-NVXWUHKLSA-N 1 0 354.878 2.797 20 10 FFCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000772978336 737861070 /nfs/dbraw/zinc/86/10/70/737861070.db2.gz MIYXYOSRAGEQDJ-INIZCTEOSA-N 1 0 353.532 2.657 20 10 FFCDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004156 737862926 /nfs/dbraw/zinc/86/29/26/737862926.db2.gz GLOJEWAXXBZBTQ-LSDHHAIUSA-N 1 0 365.905 2.837 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980462 738047701 /nfs/dbraw/zinc/04/77/01/738047701.db2.gz WOTPLAIKYJGPLL-KBPBESRZSA-N 1 0 351.447 2.767 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000775501191 738097766 /nfs/dbraw/zinc/09/77/66/738097766.db2.gz CMRFRLSYHWZJNJ-IUODEOHRSA-N 1 0 357.292 2.916 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(OCCCO)CC2)c1O ZINC000775724858 738117418 /nfs/dbraw/zinc/11/74/18/738117418.db2.gz OCBGBWXZRLJUGL-UHFFFAOYSA-N 1 0 358.276 2.827 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1F ZINC000922682572 738184385 /nfs/dbraw/zinc/18/43/85/738184385.db2.gz GCJQFVPMWNIHHJ-UHFFFAOYSA-N 1 0 368.449 2.767 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1F ZINC000790262181 739430212 /nfs/dbraw/zinc/43/02/12/739430212.db2.gz PSUPKYMUGHXRNA-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCc2nnc3n2CCC3)c(C(F)(F)F)c1 ZINC000792909431 739717427 /nfs/dbraw/zinc/71/74/27/739717427.db2.gz VKIWXPPTGJYCGI-UHFFFAOYSA-N 1 0 353.392 2.641 20 10 FFCDRO COCCN1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792958239 739722985 /nfs/dbraw/zinc/72/29/85/739722985.db2.gz VLQIXHRDPPNHQS-INIZCTEOSA-N 1 0 359.436 2.972 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000793206248 739752701 /nfs/dbraw/zinc/75/27/01/739752701.db2.gz DHCAFJSCYBDCCS-UHFFFAOYSA-N 1 0 354.248 2.930 20 10 FFCDRO CCc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793567802 739794541 /nfs/dbraw/zinc/79/45/41/739794541.db2.gz MKXDJBDTTYDJBW-INIZCTEOSA-N 1 0 368.543 2.718 20 10 FFCDRO Cc1cc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)ccc1N(C)C ZINC000934755126 739833607 /nfs/dbraw/zinc/83/36/07/739833607.db2.gz KIPOQXIBAYPKAP-VWLOTQADSA-N 1 0 366.575 2.847 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000796454794 740144361 /nfs/dbraw/zinc/14/43/61/740144361.db2.gz ROWQFQTXFLPIAS-ZDUSSCGKSA-N 1 0 369.263 2.779 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000796504218 740148317 /nfs/dbraw/zinc/14/83/17/740148317.db2.gz RDWDAESODWFJMH-UHFFFAOYSA-N 1 0 363.845 2.777 20 10 FFCDRO CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O ZINC000798000188 740298372 /nfs/dbraw/zinc/29/83/72/740298372.db2.gz ZSKCUBKIOPDSEK-KRWDZBQOSA-N 1 0 366.458 2.893 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1O ZINC000799140245 740391305 /nfs/dbraw/zinc/39/13/05/740391305.db2.gz DBSHEPBDZSLNCK-UHFFFAOYSA-N 1 0 360.376 2.600 20 10 FFCDRO CCOCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000799697357 740442029 /nfs/dbraw/zinc/44/20/29/740442029.db2.gz DJDUOWCRWSTHOR-INIZCTEOSA-N 1 0 366.889 2.943 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc(F)ccc1O ZINC000806183711 741045940 /nfs/dbraw/zinc/04/59/40/741045940.db2.gz VPFUMLLCWAZKOD-ZFWWWQNUSA-N 1 0 364.442 2.645 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)cc1F ZINC000808439158 741225865 /nfs/dbraw/zinc/22/58/65/741225865.db2.gz YMZYIDRDQRAWBK-INIZCTEOSA-N 1 0 355.523 2.971 20 10 FFCDRO CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810226752 741399772 /nfs/dbraw/zinc/39/97/72/741399772.db2.gz KNKWTZQVTOGCRY-ZDUSSCGKSA-N 1 0 369.405 2.513 20 10 FFCDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000813860474 741769135 /nfs/dbraw/zinc/76/91/35/741769135.db2.gz JFPCKGVVOFUPGU-NVXWUHKLSA-N 1 0 365.905 2.657 20 10 FFCDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])CN1CC[NH+](C)CC1 ZINC000815575831 741946205 /nfs/dbraw/zinc/94/62/05/741946205.db2.gz BKPPSIZYEYNUQT-KGLIPLIRSA-N 1 0 359.436 2.945 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816484505 742033100 /nfs/dbraw/zinc/03/31/00/742033100.db2.gz FANLFBBAXSUVSD-UHFFFAOYSA-N 1 0 362.495 2.839 20 10 FFCDRO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000816610568 742047150 /nfs/dbraw/zinc/04/71/50/742047150.db2.gz PLGYVVHFXPAEFE-HNNXBMFYSA-N 1 0 355.885 2.785 20 10 FFCDRO COC[C@@]1(CN[C@@H](C)c2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000817974289 742226163 /nfs/dbraw/zinc/22/61/63/742226163.db2.gz KODVWQRITBWDJM-LRDDRELGSA-N 1 0 357.292 2.882 20 10 FFCDRO Cc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000818021280 742231137 /nfs/dbraw/zinc/23/11/37/742231137.db2.gz WRVGXOPJYVTHRX-UHFFFAOYSA-N 1 0 361.873 2.673 20 10 FFCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000819358634 742380916 /nfs/dbraw/zinc/38/09/16/742380916.db2.gz MUIGRAYLUCGCPF-MRXNPFEDSA-N 1 0 354.441 2.832 20 10 FFCDRO C[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CC[N@@H+]1CCO ZINC000824215629 743039414 /nfs/dbraw/zinc/03/94/14/743039414.db2.gz QPIJPQQHMXVPJC-KRWDZBQOSA-N 1 0 359.539 2.883 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824606370 743115390 /nfs/dbraw/zinc/11/53/90/743115390.db2.gz QKUSJXAWPIINLZ-KGLIPLIRSA-N 1 0 354.878 2.717 20 10 FFCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](O)C(F)F ZINC000824637245 743120386 /nfs/dbraw/zinc/12/03/86/743120386.db2.gz WYPUCYHRHXZMRA-JOYOIKCWSA-N 1 0 354.191 2.658 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000824677165 743127152 /nfs/dbraw/zinc/12/71/52/743127152.db2.gz AKWXIELFUCCMRW-YPMHNXCESA-N 1 0 368.421 2.780 20 10 FFCDRO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000825283355 743240623 /nfs/dbraw/zinc/24/06/23/743240623.db2.gz KHGGOOIFQAKKHF-AWEZNQCLSA-N 1 0 352.228 2.987 20 10 FFCDRO OC[C@]1([C@H]([NH2+]Cc2ccc(Br)cc2O)C2CC2)CCCO1 ZINC000826024190 743357506 /nfs/dbraw/zinc/35/75/06/743357506.db2.gz VFXKMDBWNWBTLH-CVEARBPZSA-N 1 0 356.260 2.564 20 10 FFCDRO O=C(CCc1ccon1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544729 745378019 /nfs/dbraw/zinc/37/80/19/745378019.db2.gz TUAVWVQWGKQAHC-MRXNPFEDSA-N 1 0 363.845 2.747 20 10 FFCDRO CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665268 745401020 /nfs/dbraw/zinc/40/10/20/745401020.db2.gz SEUVCSRQHJDYIS-UONOGXRCSA-N 1 0 355.429 2.761 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000832266521 745668750 /nfs/dbraw/zinc/66/87/50/745668750.db2.gz GTQMMRVMROBGCJ-WBVHZDCISA-N 1 0 361.536 2.961 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000832293174 745673649 /nfs/dbraw/zinc/67/36/49/745673649.db2.gz QWANDFGVDZBALR-KRWDZBQOSA-N 1 0 365.836 2.740 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000834850616 745913946 /nfs/dbraw/zinc/91/39/46/745913946.db2.gz OCKLJTCIKUADRO-ZFWWWQNUSA-N 1 0 371.319 2.961 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1O ZINC000834850008 745914023 /nfs/dbraw/zinc/91/40/23/745914023.db2.gz IJLCYPHHQPZEBN-GXTWGEPZSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(Br)cc1O ZINC000834850958 745914109 /nfs/dbraw/zinc/91/41/09/745914109.db2.gz RHUHWVIEJGWHGE-GXTWGEPZSA-N 1 0 357.292 2.652 20 10 FFCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028934 745933254 /nfs/dbraw/zinc/93/32/54/745933254.db2.gz NWCLPUMLIQOWFM-AWFCHZOYSA-N 1 0 355.404 2.861 20 10 FFCDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000840720584 747165971 /nfs/dbraw/zinc/16/59/71/747165971.db2.gz PSTYIQMFKOXDAZ-GFCCVEGCSA-N 1 0 363.255 2.724 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cnn(C)c1 ZINC000840761005 747175488 /nfs/dbraw/zinc/17/54/88/747175488.db2.gz NBZLOCIMRZYBHV-QGZVFWFLSA-N 1 0 350.413 2.776 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840911044 747221888 /nfs/dbraw/zinc/22/18/88/747221888.db2.gz UVVORNZLJSJOHZ-UHFFFAOYSA-N 1 0 367.921 2.730 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000841799001 747463530 /nfs/dbraw/zinc/46/35/30/747463530.db2.gz OMIYKOHMAIBGAI-WBVHZDCISA-N 1 0 350.482 2.941 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC/C=C\C[NH3+])cc2Cl)C1 ZINC000841895238 747484150 /nfs/dbraw/zinc/48/41/50/747484150.db2.gz ACCJWFFYBVQBKJ-PYLYLYNFSA-N 1 0 350.894 2.890 20 10 FFCDRO CC(C)([NH3+])CCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000844177537 747983469 /nfs/dbraw/zinc/98/34/69/747983469.db2.gz CUDLPTWUAZCFLX-UHFFFAOYSA-N 1 0 355.429 2.891 20 10 FFCDRO C[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC[NH2+]1 ZINC000844177772 747983700 /nfs/dbraw/zinc/98/37/00/747983700.db2.gz GMSQJSIXJDNUJK-SFHVURJKSA-N 1 0 353.413 2.515 20 10 FFCDRO CC(C)C[N@H+](C)CCCNC(=O)NCc1cc(Br)ccc1O ZINC000845309858 748224315 /nfs/dbraw/zinc/22/43/15/748224315.db2.gz CMRINTMIZCFHFA-UHFFFAOYSA-N 1 0 372.307 2.932 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000846146389 748415296 /nfs/dbraw/zinc/41/52/96/748415296.db2.gz RNPZAYUPMZGINN-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1O ZINC000846166777 748418534 /nfs/dbraw/zinc/41/85/34/748418534.db2.gz CMYBORZXNHBKOL-HNNXBMFYSA-N 1 0 363.479 2.709 20 10 FFCDRO C[NH+](C)C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(Cl)cc1 ZINC000846656697 748520489 /nfs/dbraw/zinc/52/04/89/748520489.db2.gz NUHCWUFRJBHOSH-GFCCVEGCSA-N 1 0 366.820 2.966 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2nc(C)no2)c1O ZINC000848535162 748953702 /nfs/dbraw/zinc/95/37/02/748953702.db2.gz XCHCCOBGKYYEPG-QMMMGPOBSA-N 1 0 356.220 2.748 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000848547545 748956198 /nfs/dbraw/zinc/95/61/98/748956198.db2.gz QSQOBKPNXHASTC-JTQLQIEISA-N 1 0 360.248 2.967 20 10 FFCDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848551002 748957435 /nfs/dbraw/zinc/95/74/35/748957435.db2.gz BKOBITIILSTDCX-PWSUYJOCSA-N 1 0 362.264 2.865 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000848552655 748958311 /nfs/dbraw/zinc/95/83/11/748958311.db2.gz FKKKLDOWGXQYLE-PGUXBMHVSA-N 1 0 374.275 2.865 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(=O)OC(C)(C)C ZINC000848566150 748961944 /nfs/dbraw/zinc/96/19/44/748961944.db2.gz RQWXQCRMHOYWGQ-AWEZNQCLSA-N 1 0 352.450 2.730 20 10 FFCDRO COc1cccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000852791104 749956250 /nfs/dbraw/zinc/95/62/50/749956250.db2.gz COQQBXCDDBWJKM-MRXNPFEDSA-N 1 0 361.873 2.773 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853622505 750116829 /nfs/dbraw/zinc/11/68/29/750116829.db2.gz ZLYZBKYCHIFQLN-ABAIWWIYSA-N 1 0 356.388 2.770 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000651296386 970767687 /nfs/dbraw/zinc/76/76/87/970767687.db2.gz NWJCOEYAZIODOO-INIZCTEOSA-N 1 0 369.509 2.987 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]2C)cc1C ZINC001104775515 970790521 /nfs/dbraw/zinc/79/05/21/970790521.db2.gz HPXBHQPDRUGQMM-CRAIPNDOSA-N 1 0 370.497 2.923 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000182349131 971020395 /nfs/dbraw/zinc/02/03/95/971020395.db2.gz PUBHTHVMBQOBPY-YZVOILCLSA-N 1 0 364.486 2.763 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000182467246 971031276 /nfs/dbraw/zinc/03/12/76/971031276.db2.gz VMUNIWYFLZFBPN-KGLIPLIRSA-N 1 0 356.422 2.973 20 10 FFCDRO CC[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1O ZINC000183322770 971112402 /nfs/dbraw/zinc/11/24/02/971112402.db2.gz SFEGIMDTZZVPLB-SFHVURJKSA-N 1 0 368.481 2.567 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 ZINC000896442549 971492680 /nfs/dbraw/zinc/49/26/80/971492680.db2.gz UUDTYLYOIIRLRQ-UHFFFAOYSA-N 1 0 352.434 2.858 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CSCc3ccccn3)CC2)cc1 ZINC000871984560 1013125576 /nfs/dbraw/zinc/12/55/76/1013125576.db2.gz XVEULIAYOVTXNS-IBGZPJMESA-N 1 0 373.522 2.507 20 10 FFCDRO CCOCCN1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001275894512 1013157370 /nfs/dbraw/zinc/15/73/70/1013157370.db2.gz SZZVQVKZTPYNJD-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO CC[C@@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000120809807 960254060 /nfs/dbraw/zinc/25/40/60/960254060.db2.gz XIKKLDFJGQRAEI-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)ccc1N(C)C ZINC001275952316 1013222190 /nfs/dbraw/zinc/22/21/90/1013222190.db2.gz WDOMEMQDLANLMI-IAGOWNOFSA-N 1 0 351.441 2.891 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@]23CCN(CC(F)F)C3=O)ccc1N(C)C ZINC001275952674 1013222284 /nfs/dbraw/zinc/22/22/84/1013222284.db2.gz ZMTZZJMSXAZCTE-LJQANCHMSA-N 1 0 351.441 2.893 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1Cn1cccn1 ZINC000873010994 1013345557 /nfs/dbraw/zinc/34/55/57/1013345557.db2.gz SCTQIAYIXXPRHX-IBGZPJMESA-N 1 0 363.465 2.686 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CCC3(CCC3)O2)[NH+](C)C)cc1 ZINC000891243314 962538725 /nfs/dbraw/zinc/53/87/25/962538725.db2.gz LLRUWIYGUVGKAX-RTBURBONSA-N 1 0 359.514 2.963 20 10 FFCDRO COCc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891247161 962569695 /nfs/dbraw/zinc/56/96/95/962569695.db2.gz GDFGMQHEVABRFL-OAQYLSRUSA-N 1 0 369.509 2.861 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c(C3CCC3)cnn2C)[NH+](C)C)cc1 ZINC000891248154 962579476 /nfs/dbraw/zinc/57/94/76/962579476.db2.gz WDYZYGNWMNSLSL-IBGZPJMESA-N 1 0 369.513 2.786 20 10 FFCDRO Cc1ccncc1/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248696 962588640 /nfs/dbraw/zinc/58/86/40/962588640.db2.gz NAGIJIDESIZQSG-ZBWUASRJSA-N 1 0 352.482 2.888 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1Cn1cccn1 ZINC000873031477 1013355386 /nfs/dbraw/zinc/35/53/86/1013355386.db2.gz VJPHEMQOJMQNHG-INIZCTEOSA-N 1 0 368.403 2.666 20 10 FFCDRO COc1ccc(C[NH2+]CCC(=O)N2CCCCCC2)cc1Cn1cccn1 ZINC000873031164 1013355816 /nfs/dbraw/zinc/35/58/16/1013355816.db2.gz PHNVELXWEJGIFL-UHFFFAOYSA-N 1 0 370.497 2.822 20 10 FFCDRO Cc1cncc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891252827 962607343 /nfs/dbraw/zinc/60/73/43/962607343.db2.gz OBAHBWOTRXVLDW-HSSRVXSRSA-N 1 0 352.482 2.888 20 10 FFCDRO Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256690 962620442 /nfs/dbraw/zinc/62/04/42/962620442.db2.gz ZURZQJGFJGHKMG-KUHUBIRLSA-N 1 0 371.529 2.626 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000873132232 1013396147 /nfs/dbraw/zinc/39/61/47/1013396147.db2.gz LYJNMVPBWQXZEM-IBGZPJMESA-N 1 0 369.440 2.945 20 10 FFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000873190520 1013415597 /nfs/dbraw/zinc/41/55/97/1013415597.db2.gz AFZOXFCTKPGSKS-NRFANRHFSA-N 1 0 357.450 2.722 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000588404244 963573430 /nfs/dbraw/zinc/57/34/30/963573430.db2.gz DHXWHLUHTCQQMO-LECLMCCNSA-N 1 0 352.434 2.892 20 10 FFCDRO COc1ccccc1N1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891443617 964114249 /nfs/dbraw/zinc/11/42/49/964114249.db2.gz JUCOANUCRODJHH-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000077412291 964181189 /nfs/dbraw/zinc/18/11/89/964181189.db2.gz QOVKXYMPYNCYAW-KRWDZBQOSA-N 1 0 372.440 2.764 20 10 FFCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891782190 965073229 /nfs/dbraw/zinc/07/32/29/965073229.db2.gz OQTHTLAKHMYDSM-GOEBONIOSA-N 1 0 364.486 2.926 20 10 FFCDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000729432868 965106818 /nfs/dbraw/zinc/10/68/18/965106818.db2.gz PCZQZYURQQGXLR-GOSISDBHSA-N 1 0 370.497 2.672 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nc(C4CC4)cs3)cc2)CC1 ZINC001176084588 1013618380 /nfs/dbraw/zinc/61/83/80/1013618380.db2.gz YOENSIHBSFFVMS-UHFFFAOYSA-N 1 0 356.495 2.702 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCOCC4)cc2)CC1 ZINC000934401281 966421783 /nfs/dbraw/zinc/42/17/83/966421783.db2.gz HNFJGLIXAJPPTL-HXUWFJFHSA-N 1 0 360.498 2.730 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000176680514 966599885 /nfs/dbraw/zinc/59/98/85/966599885.db2.gz SWEGPMLSFGZBIG-HNNXBMFYSA-N 1 0 367.449 2.944 20 10 FFCDRO COC(=O)CCNC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176689771 966656384 /nfs/dbraw/zinc/65/63/84/966656384.db2.gz LPXQMPLRHOUEIV-MRXNPFEDSA-N 1 0 370.449 2.635 20 10 FFCDRO COc1cc(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)cc(O)c1O ZINC001279234915 967088780 /nfs/dbraw/zinc/08/87/80/967088780.db2.gz XKTUHDYRVJUZGF-UHFFFAOYSA-N 1 0 374.403 2.957 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)C2)cc1 ZINC000895005535 967151028 /nfs/dbraw/zinc/15/10/28/967151028.db2.gz FFEWFOKTYUXZTN-LZQZEXGQSA-N 1 0 364.461 2.745 20 10 FFCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000125067139 967358289 /nfs/dbraw/zinc/35/82/89/967358289.db2.gz VWJICXHXZDVNKB-MSOLQXFVSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC[C@H]3C)CC2)cc1 ZINC000729507069 967450214 /nfs/dbraw/zinc/45/02/14/967450214.db2.gz DJICTNJGHMKHRM-XLIONFOSSA-N 1 0 374.529 2.695 20 10 FFCDRO COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000178971114 967480070 /nfs/dbraw/zinc/48/00/70/967480070.db2.gz FRDIQHUQKVKUGG-HDICACEKSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000780510605 967933147 /nfs/dbraw/zinc/93/31/47/967933147.db2.gz HFMJVIDQSXGWJQ-OAHLLOKOSA-N 1 0 364.530 2.975 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cncn2C)cc1 ZINC000292322553 968393000 /nfs/dbraw/zinc/39/30/00/968393000.db2.gz MMNUVSXWKBUEJI-UHFFFAOYSA-N 1 0 367.453 2.991 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCOC1 ZINC000162829833 969676634 /nfs/dbraw/zinc/67/66/34/969676634.db2.gz DXQBASAFBNMAHL-RXVVDRJESA-N 1 0 361.530 2.612 20 10 FFCDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)ncn1 ZINC000892886093 970347229 /nfs/dbraw/zinc/34/72/29/970347229.db2.gz NDJGEOVBIGQJFG-INIZCTEOSA-N 1 0 372.469 2.520 20 10 FFCDRO COc1ccc(C[NH2+]CCOc2cccc(NC(C)=O)c2)c(O)c1OC ZINC000892905780 970362557 /nfs/dbraw/zinc/36/25/57/970362557.db2.gz LNQQDGGSQWWWKV-UHFFFAOYSA-N 1 0 360.410 2.536 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[N@H+](C)C(C)(C)CC3)CC2)cc1 ZINC000875212184 1013994697 /nfs/dbraw/zinc/99/46/97/1013994697.db2.gz VGVUQJNUNUWWSB-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000893136400 970672148 /nfs/dbraw/zinc/67/21/48/970672148.db2.gz SXCRTQLCUQSTFT-IBGZPJMESA-N 1 0 356.514 2.936 20 10 FFCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000840781852 973145753 /nfs/dbraw/zinc/14/57/53/973145753.db2.gz XQMZZTZXAOVZIC-KRWDZBQOSA-N 1 0 374.525 2.803 20 10 FFCDRO COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068668 974068758 /nfs/dbraw/zinc/06/87/58/974068758.db2.gz PFCTYABXBUWBEV-DOTOQJQBSA-N 1 0 364.461 2.936 20 10 FFCDRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1 ZINC001271796492 974341641 /nfs/dbraw/zinc/34/16/41/974341641.db2.gz HTWAXCSUAGFMSA-PVAVHDDUSA-N 1 0 361.486 2.998 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000178471945 975029554 /nfs/dbraw/zinc/02/95/54/975029554.db2.gz VIBCNLMOKNADQV-ROUUACIJSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000653136131 1014235823 /nfs/dbraw/zinc/23/58/23/1014235823.db2.gz AIDYIYQJJKYUNT-LSDHHAIUSA-N 1 0 355.482 2.785 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000653163244 1014243235 /nfs/dbraw/zinc/24/32/35/1014243235.db2.gz NHMYKEIKRDVLNX-HOTGVXAUSA-N 1 0 369.509 2.972 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)ccc1O ZINC000876561452 1014304351 /nfs/dbraw/zinc/30/43/51/1014304351.db2.gz KJCKEWCXWGCIDH-UHFFFAOYSA-N 1 0 356.466 2.994 20 10 FFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC000961950271 1014307785 /nfs/dbraw/zinc/30/77/85/1014307785.db2.gz SGKLABNUHUAXPC-OPQOLIRYSA-N 1 0 368.481 2.515 20 10 FFCDRO CC(=O)NCC1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898448437 976459919 /nfs/dbraw/zinc/45/99/19/976459919.db2.gz SFLGIOAIHOCUER-CNBHCMJISA-N 1 0 360.546 2.640 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)N(C)C)cc1 ZINC000898449914 976460304 /nfs/dbraw/zinc/46/03/04/976460304.db2.gz LOXYRGBELGDEQR-IBGZPJMESA-N 1 0 368.481 2.590 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)N(C)C)cc1 ZINC000898450781 976462394 /nfs/dbraw/zinc/46/23/94/976462394.db2.gz DGRLSVGQZLKGMZ-FQEVSTJZSA-N 1 0 364.497 2.930 20 10 FFCDRO Cc1ccc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000899104223 976913407 /nfs/dbraw/zinc/91/34/07/976913407.db2.gz QVEANHVIXJXOPN-HXUWFJFHSA-N 1 0 369.513 2.900 20 10 FFCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893708756 977420921 /nfs/dbraw/zinc/42/09/21/977420921.db2.gz ODZDCYSFKYRBGH-ZDUSSCGKSA-N 1 0 366.458 2.756 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1n1ccnc1 ZINC000876807981 1014399771 /nfs/dbraw/zinc/39/97/71/1014399771.db2.gz MGFINDFBTGHZNY-DYESRHJHSA-N 1 0 354.498 2.927 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(O)c1OC ZINC000894032821 977641550 /nfs/dbraw/zinc/64/15/50/977641550.db2.gz BXYHIJQQOOGXBO-JXFKEZNVSA-N 1 0 361.413 2.804 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCCn2ccnc2C)c2cc(F)ccc2n1C ZINC000894193189 978125977 /nfs/dbraw/zinc/12/59/77/978125977.db2.gz HBUORZFCVGAOFM-UHFFFAOYSA-N 1 0 358.417 2.789 20 10 FFCDRO CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(N)cc1 ZINC000877077332 1014468918 /nfs/dbraw/zinc/46/89/18/1014468918.db2.gz DJHWOZHKCAAWIX-UHFFFAOYSA-N 1 0 352.482 2.834 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC000729297996 978232108 /nfs/dbraw/zinc/23/21/08/978232108.db2.gz NBSYSEDMXVEWAP-FQEVSTJZSA-N 1 0 359.514 2.854 20 10 FFCDRO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877089559 1014473212 /nfs/dbraw/zinc/47/32/12/1014473212.db2.gz OEHHRYGDQVXWFR-IBGZPJMESA-N 1 0 371.525 2.528 20 10 FFCDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC000897346601 979111995 /nfs/dbraw/zinc/11/19/95/979111995.db2.gz XHJQFPSEGLHWIX-QGZVFWFLSA-N 1 0 364.449 2.747 20 10 FFCDRO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccnc1 ZINC000877525537 1014613165 /nfs/dbraw/zinc/61/31/65/1014613165.db2.gz GSXNXNPSLZNYPY-UHFFFAOYSA-N 1 0 355.482 2.691 20 10 FFCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877654757 1014662833 /nfs/dbraw/zinc/66/28/33/1014662833.db2.gz HZPWRBTZJIHYNK-SFHVURJKSA-N 1 0 355.438 2.682 20 10 FFCDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877733718 1014702266 /nfs/dbraw/zinc/70/22/66/1014702266.db2.gz XSTDGKBOIITKLK-JOCHJYFZSA-N 1 0 351.494 2.924 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2nccc(-c3cnccn3)n2)[NH+](C)C)cc1 ZINC000897521394 981423428 /nfs/dbraw/zinc/42/34/28/981423428.db2.gz FWMHJRNIJDRQCG-IBGZPJMESA-N 1 0 363.469 2.714 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000841947070 982455567 /nfs/dbraw/zinc/45/55/67/982455567.db2.gz CJCWLJPTMBQALD-FQEVSTJZSA-N 1 0 368.481 2.617 20 10 FFCDRO C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000841955877 982466148 /nfs/dbraw/zinc/46/61/48/982466148.db2.gz QGKSFHAKWZTVHP-GOSISDBHSA-N 1 0 366.509 2.975 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000826020400 1014847162 /nfs/dbraw/zinc/84/71/62/1014847162.db2.gz UBERMEWOXHLESF-FQEVSTJZSA-N 1 0 369.513 2.926 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCn3nc(C(=O)OC)cc32)ccc1OC ZINC000897985645 982583024 /nfs/dbraw/zinc/58/30/24/982583024.db2.gz PDICYAIYKBCCSR-INIZCTEOSA-N 1 0 373.453 2.840 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000186076070 984089536 /nfs/dbraw/zinc/08/95/36/984089536.db2.gz CXCKZXAFJCUUGK-CVEARBPZSA-N 1 0 370.449 2.731 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1cccnc1 ZINC000156354846 984325495 /nfs/dbraw/zinc/32/54/95/984325495.db2.gz OLYPDFAFESXDAR-UHFFFAOYSA-N 1 0 365.481 2.935 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3cnn(C)c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164439364 984368430 /nfs/dbraw/zinc/36/84/30/984368430.db2.gz GKZHFRAFUSSQHL-UHFFFAOYSA-N 1 0 358.486 2.754 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000157060180 984453568 /nfs/dbraw/zinc/45/35/68/984453568.db2.gz WNZOEKOYKBXFNA-OAHLLOKOSA-N 1 0 367.449 2.978 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764808546 984727892 /nfs/dbraw/zinc/72/78/92/984727892.db2.gz FNXGTVSFMXXFPI-FUHWJXTLSA-N 1 0 374.456 2.753 20 10 FFCDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000765632767 985246608 /nfs/dbraw/zinc/24/66/08/985246608.db2.gz GOQBBUXXTGXDRT-HOCLYGCPSA-N 1 0 365.449 2.544 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000765669293 985281136 /nfs/dbraw/zinc/28/11/36/985281136.db2.gz KGRALFDBAJDYJO-BZSNNMDCSA-N 1 0 374.529 2.708 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000172064085 985450930 /nfs/dbraw/zinc/45/09/30/985450930.db2.gz JMJVCDXJSWORGL-INIZCTEOSA-N 1 0 359.426 2.630 20 10 FFCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168576698 985528935 /nfs/dbraw/zinc/52/89/35/985528935.db2.gz KIYQNLXAYXPIIQ-BEVDRBHNSA-N 1 0 359.422 2.650 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1C ZINC000999753993 986617715 /nfs/dbraw/zinc/61/77/15/986617715.db2.gz XJGCTFZFTGTGPN-ORJOSYTKSA-N 1 0 370.493 2.508 20 10 FFCDRO COc1ccc(C[NH2+]CCCO[C@H]2CCCCO2)cc1Cn1cccn1 ZINC000922232386 988215533 /nfs/dbraw/zinc/21/55/33/988215533.db2.gz USCOWWNRPSUNMT-FQEVSTJZSA-N 1 0 359.470 2.963 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC000765979760 988242188 /nfs/dbraw/zinc/24/21/88/988242188.db2.gz UHZDSOAULAEUAJ-HXUWFJFHSA-N 1 0 370.518 2.569 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193406169 988300152 /nfs/dbraw/zinc/30/01/52/988300152.db2.gz AENOOHOQSQEAMQ-UHFFFAOYSA-N 1 0 354.454 2.593 20 10 FFCDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C\c2ccc(N(C)C)cc2)cn1 ZINC000922526032 988670273 /nfs/dbraw/zinc/67/02/73/988670273.db2.gz HYQPZBFESPOFAY-NGQOVYEWSA-N 1 0 367.497 2.592 20 10 FFCDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000763249099 989306019 /nfs/dbraw/zinc/30/60/19/989306019.db2.gz OGKOQKYFHJAEPF-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ncnc4c3CCCC4)CC2)cc1 ZINC000763350064 989710228 /nfs/dbraw/zinc/71/02/28/989710228.db2.gz NXHCWRLALCIDON-UHFFFAOYSA-N 1 0 367.497 2.598 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC2CCOCC2)ccc1N1CCCCC1 ZINC000922929963 990744528 /nfs/dbraw/zinc/74/45/28/990744528.db2.gz BAGIBSRPJLZLBG-UHFFFAOYSA-N 1 0 363.458 2.870 20 10 FFCDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCOCC2 ZINC000923036258 990808057 /nfs/dbraw/zinc/80/80/57/990808057.db2.gz SUTYLQMQLMRVRT-ROUUACIJSA-N 1 0 363.454 2.963 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000175529029 991216760 /nfs/dbraw/zinc/21/67/60/991216760.db2.gz QOBUJSNFVMZCOI-HXUWFJFHSA-N 1 0 361.530 2.942 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000067976035 991295416 /nfs/dbraw/zinc/29/54/16/991295416.db2.gz BPOILGLWDADLON-GOSISDBHSA-N 1 0 372.465 2.791 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(Cc3cc(F)ccc3OC)CC2)c1 ZINC000179595043 991297956 /nfs/dbraw/zinc/29/79/56/991297956.db2.gz XXPNBJLULGMDML-UHFFFAOYSA-N 1 0 360.429 2.866 20 10 FFCDRO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000879651147 1015624945 /nfs/dbraw/zinc/62/49/45/1015624945.db2.gz KCIFNGBVWLNMML-KBPBESRZSA-N 1 0 356.422 2.534 20 10 FFCDRO Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000237723146 991323188 /nfs/dbraw/zinc/32/31/88/991323188.db2.gz JNDUBBYJEPWVBC-UHFFFAOYSA-N 1 0 374.916 2.773 20 10 FFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069797037 991891722 /nfs/dbraw/zinc/89/17/22/991891722.db2.gz DIGJLSFVPRRSID-INIZCTEOSA-N 1 0 362.514 2.940 20 10 FFCDRO CN(C)c1ccc([C@@H](CN[C@@H](c2nc[nH]n2)c2ccccc2)[NH+](C)C)cc1 ZINC000903448003 1015898029 /nfs/dbraw/zinc/89/80/29/1015898029.db2.gz HKDWTQSCRRYRHQ-WOJBJXKFSA-N 1 0 364.497 2.853 20 10 FFCDRO CCn1ccnc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086685765 994957794 /nfs/dbraw/zinc/95/77/94/994957794.db2.gz UZUODFQWKNPZRH-ZWKOTPCHSA-N 1 0 370.497 2.908 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082655757 995186281 /nfs/dbraw/zinc/18/62/81/995186281.db2.gz ZRQVBSGMCIBCCJ-OWYHZJEWSA-N 1 0 360.498 2.755 20 10 FFCDRO C[C@H]1CCC[C@H](OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001132902247 995198763 /nfs/dbraw/zinc/19/87/63/995198763.db2.gz JBTREROOMTYRHX-PXNSSMCTSA-N 1 0 359.514 2.650 20 10 FFCDRO O=C(CCc1ncccn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812535880 995458157 /nfs/dbraw/zinc/45/81/57/995458157.db2.gz JECUWLWMYYCAPI-INIZCTEOSA-N 1 0 374.872 2.549 20 10 FFCDRO CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)c(C)n1 ZINC001082772380 995465564 /nfs/dbraw/zinc/46/55/64/995465564.db2.gz MCWQGHUNNATURN-DNVCBOLYSA-N 1 0 370.497 2.779 20 10 FFCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000812780881 995533157 /nfs/dbraw/zinc/53/31/57/995533157.db2.gz ACLDRVOPZDQANF-JOCHJYFZSA-N 1 0 370.468 2.798 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC(C2CC2)C1 ZINC000813122607 995626754 /nfs/dbraw/zinc/62/67/54/995626754.db2.gz PBQYOPXHZRSCEJ-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H](C)n3cccn3)C[C@H]2C)cc1C ZINC001082848626 995630451 /nfs/dbraw/zinc/63/04/51/995630451.db2.gz CQTIIYMSSSZFGP-ZHALLVOQSA-N 1 0 370.497 2.788 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccc(C)nc3)C[C@H]2C)cc1C ZINC001082923077 995832770 /nfs/dbraw/zinc/83/27/70/995832770.db2.gz NYEWKEZPJYGECU-OXQOHEQNSA-N 1 0 367.493 2.886 20 10 FFCDRO CC1CC(C[NH2+][C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C)C1 ZINC001082952770 995908002 /nfs/dbraw/zinc/90/80/02/995908002.db2.gz RYRONHBRPJZTEE-NHMAURGWSA-N 1 0 357.458 2.945 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000727644436 995911108 /nfs/dbraw/zinc/91/11/08/995911108.db2.gz KGEWAGUFAIMQGQ-FQEVSTJZSA-N 1 0 370.493 2.745 20 10 FFCDRO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)nn1C ZINC001082960926 995919740 /nfs/dbraw/zinc/91/97/40/995919740.db2.gz KWRYPKDHBBINJY-DNVCBOLYSA-N 1 0 370.497 2.550 20 10 FFCDRO Cc1cc(C(=O)Cn2cc(CC[NH+](C)C)nn2)c(C)n1-c1ccccc1 ZINC000880983428 1016063082 /nfs/dbraw/zinc/06/30/82/1016063082.db2.gz YOKLXAQLKBZADD-UHFFFAOYSA-N 1 0 351.454 2.673 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)Cc3cccc(F)c3)CC2)cc1 ZINC000824501583 996979209 /nfs/dbraw/zinc/97/92/09/996979209.db2.gz PJQQYWMUBJMYBI-FQEVSTJZSA-N 1 0 358.457 2.996 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000824586623 997000917 /nfs/dbraw/zinc/00/09/17/997000917.db2.gz VEJGFYWDHHTUND-XKGZKEIXSA-N 1 0 358.530 2.728 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccnn3-c3ccncc3)CC2)cc1 ZINC000824606717 997009857 /nfs/dbraw/zinc/00/98/57/997009857.db2.gz WJUZOPUZGUVKQH-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCC[NH+]3CCCC3)C2)cc1 ZINC000824686225 997052751 /nfs/dbraw/zinc/05/27/51/997052751.db2.gz KRTFALAIIVBPTG-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1cc(N(C)Cc2ccnn2-c2cc[nH+]cc2)cc(OC)c1OC ZINC000825468444 997389371 /nfs/dbraw/zinc/38/93/71/997389371.db2.gz LSRPKKHDULNIQP-UHFFFAOYSA-N 1 0 354.410 2.930 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000844954399 998272949 /nfs/dbraw/zinc/27/29/49/998272949.db2.gz QMRHZASROPEZSG-UHFFFAOYSA-N 1 0 362.518 2.647 20 10 FFCDRO COC(=O)C1CCN(C(=O)C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000731847168 998272883 /nfs/dbraw/zinc/27/28/83/998272883.db2.gz GMKRNOGNIIYIBP-UHFFFAOYSA-N 1 0 374.481 2.548 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC001144500050 998608730 /nfs/dbraw/zinc/60/87/30/998608730.db2.gz NWGMAULGMGBVMD-QWHCGFSZSA-N 1 0 366.458 2.786 20 10 FFCDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)CC2=O)cc1 ZINC001144508685 998611017 /nfs/dbraw/zinc/61/10/17/998611017.db2.gz VEAANYOLSBAKPD-NRFANRHFSA-N 1 0 368.433 2.741 20 10 FFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144504300 998612290 /nfs/dbraw/zinc/61/22/90/998612290.db2.gz OOMXYJFVGLANJV-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001144504638 998612302 /nfs/dbraw/zinc/61/23/02/998612302.db2.gz YGYRDXCYSRISIR-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2cn(CC3CC3)nc21 ZINC001144509527 998622417 /nfs/dbraw/zinc/62/24/17/998622417.db2.gz DPBVECLPRJOTLN-HNNXBMFYSA-N 1 0 373.453 2.546 20 10 FFCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001144515447 998627237 /nfs/dbraw/zinc/62/72/37/998627237.db2.gz OWZBHDRYSMAULW-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)c(O)c1 ZINC001144515751 998627703 /nfs/dbraw/zinc/62/77/03/998627703.db2.gz XJUNQPMUAWZNKE-UHFFFAOYSA-N 1 0 367.405 2.790 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cncnc2)cc1C ZINC001085185460 999086764 /nfs/dbraw/zinc/08/67/64/999086764.db2.gz SXCMHAYLIHOASZ-RTBURBONSA-N 1 0 368.481 2.553 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@]2(C)CCOC2)cc1C ZINC001085375525 999418030 /nfs/dbraw/zinc/41/80/30/999418030.db2.gz RZTRIAMHVCESGT-OPYAIIAOSA-N 1 0 360.498 2.947 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000735491172 999432181 /nfs/dbraw/zinc/43/21/81/999432181.db2.gz BGJODXLSOJCSAS-DBXWQHBBSA-N 1 0 372.557 2.706 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742390982 999771480 /nfs/dbraw/zinc/77/14/80/999771480.db2.gz XYTZTGKIEYALRH-JXFKEZNVSA-N 1 0 367.497 2.694 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C ZINC000742373519 999772504 /nfs/dbraw/zinc/77/25/04/999772504.db2.gz YFWCSLFNRUVZSC-SFHVURJKSA-N 1 0 354.450 2.773 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)cc1F ZINC000742375368 999772528 /nfs/dbraw/zinc/77/25/28/999772528.db2.gz QOOYIJLKCWGYEA-UHFFFAOYSA-N 1 0 357.429 2.797 20 10 FFCDRO CCCCCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000742940848 999793084 /nfs/dbraw/zinc/79/30/84/999793084.db2.gz ZXVDUAYURISYDU-UHFFFAOYSA-N 1 0 362.518 2.697 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000745779159 999930533 /nfs/dbraw/zinc/93/05/33/999930533.db2.gz MYXGMMPGFRQMTG-ZWOKBUDYSA-N 1 0 374.529 2.708 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(C)c3O)CC2=O)cc1 ZINC001168910294 1000008059 /nfs/dbraw/zinc/00/80/59/1000008059.db2.gz VTOHRVIXEIVBFT-SFHVURJKSA-N 1 0 354.450 2.990 20 10 FFCDRO COc1cccc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1O ZINC000846048532 1000197300 /nfs/dbraw/zinc/19/73/00/1000197300.db2.gz LLXKWUQSAYSKBN-WOJBJXKFSA-N 1 0 368.477 2.876 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(OCc3ccccc3)CC1)[C@@H](O)CO2 ZINC000768441258 1000248754 /nfs/dbraw/zinc/24/87/54/1000248754.db2.gz FRIAAEVZGDENDD-FQEVSTJZSA-N 1 0 355.434 2.999 20 10 FFCDRO NC(=O)c1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)cc1 ZINC000768440575 1000249223 /nfs/dbraw/zinc/24/92/23/1000249223.db2.gz QQYLLZPDYHRAPJ-UHFFFAOYSA-N 1 0 365.477 2.787 20 10 FFCDRO Oc1cc2c(cc1CN1CCC[N@H+](CC3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768446460 1000250130 /nfs/dbraw/zinc/25/01/30/1000250130.db2.gz XZGDNCZROKYCEW-FQEVSTJZSA-N 1 0 360.498 2.906 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768447948 1000250657 /nfs/dbraw/zinc/25/06/57/1000250657.db2.gz RYMNOJACQADSSD-GUXCAODWSA-N 1 0 360.498 2.904 20 10 FFCDRO COc1ccc(CN2CCC[N@H+](Cc3cccc(C)c3O)CC2=O)cc1 ZINC000768536277 1000289174 /nfs/dbraw/zinc/28/91/74/1000289174.db2.gz UDVNBLQSNWPWRJ-UHFFFAOYSA-N 1 0 354.450 2.944 20 10 FFCDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000768675814 1000316160 /nfs/dbraw/zinc/31/61/60/1000316160.db2.gz LXXGDDPBEBIUEB-OAHLLOKOSA-N 1 0 351.450 2.917 20 10 FFCDRO Cc1c[nH]cc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768914860 1000385797 /nfs/dbraw/zinc/38/57/97/1000385797.db2.gz HWNWNHBGBFHYKQ-UHFFFAOYSA-N 1 0 352.482 2.785 20 10 FFCDRO C[C@H](CO)[NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846701935 1000413636 /nfs/dbraw/zinc/41/36/36/1000413636.db2.gz JPUDGHIXPHCPLV-CXAGYDPISA-N 1 0 352.394 2.704 20 10 FFCDRO CCOc1ccc(CN2CCN(C(=O)Cc3ccc(C)cc3)CC2)c(O)c1 ZINC000769300968 1000487824 /nfs/dbraw/zinc/48/78/24/1000487824.db2.gz AHLVCZKPXCXGGE-UHFFFAOYSA-N 1 0 368.477 2.986 20 10 FFCDRO COCCOCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769663198 1000572432 /nfs/dbraw/zinc/57/24/32/1000572432.db2.gz LCPMPEBXDQPJQN-UHFFFAOYSA-N 1 0 374.481 2.614 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cncc(SC)n3)CC2)cc1 ZINC000770106253 1000678439 /nfs/dbraw/zinc/67/84/39/1000678439.db2.gz OJZFCHNAHMGKFA-UHFFFAOYSA-N 1 0 373.526 2.831 20 10 FFCDRO Cc1cc(C)c(CNC(=O)c2ccc(CC[NH+]3CCCC3)nc2)c(O)c1 ZINC001147976611 1001010451 /nfs/dbraw/zinc/01/04/51/1001010451.db2.gz ZFTFRHVSRFNOHK-UHFFFAOYSA-N 1 0 353.466 2.972 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000103615105 1001041982 /nfs/dbraw/zinc/04/19/82/1001041982.db2.gz KBJPBUMSCLLCKI-UHFFFAOYSA-N 1 0 374.529 2.647 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(C)=O)o3)cc2F)CC1 ZINC000772231502 1001338064 /nfs/dbraw/zinc/33/80/64/1001338064.db2.gz UMVCYGPYZJAXKN-UHFFFAOYSA-N 1 0 373.428 2.693 20 10 FFCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000786162744 1001540073 /nfs/dbraw/zinc/54/00/73/1001540073.db2.gz XYRHEACUVNKDHG-LJQANCHMSA-N 1 0 358.457 2.664 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000788537922 1001816099 /nfs/dbraw/zinc/81/60/99/1001816099.db2.gz YYBVCLSOSNXWNH-VQIMIIECSA-N 1 0 363.458 2.869 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(O)c1 ZINC000788562682 1001821001 /nfs/dbraw/zinc/82/10/01/1001821001.db2.gz HBNBIQYHQDNHBO-CABCVRRESA-N 1 0 359.422 2.828 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCc1ccccc1 ZINC000774484778 1001927970 /nfs/dbraw/zinc/92/79/70/1001927970.db2.gz SHAQKAZREXLTTL-HZPDHXFCSA-N 1 0 368.481 2.818 20 10 FFCDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000789727745 1002179279 /nfs/dbraw/zinc/17/92/79/1002179279.db2.gz TXAZFWGEDYOCFX-FQEVSTJZSA-N 1 0 370.497 2.863 20 10 FFCDRO CC(C)[C@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[NH+](C)C ZINC001183362761 1002238758 /nfs/dbraw/zinc/23/87/58/1002238758.db2.gz LFDMENSLSFKBML-MRXNPFEDSA-N 1 0 373.419 2.820 20 10 FFCDRO CCCN(CC[NH+]1CCCCC1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001170173659 1003027096 /nfs/dbraw/zinc/02/70/96/1003027096.db2.gz VUUTZXYLRWPQKL-UHFFFAOYSA-N 1 0 360.546 2.567 20 10 FFCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC000793042652 1003263912 /nfs/dbraw/zinc/26/39/12/1003263912.db2.gz ICGPRHZKRCTAKB-FQEVSTJZSA-N 1 0 366.509 2.814 20 10 FFCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000793609440 1003444248 /nfs/dbraw/zinc/44/42/48/1003444248.db2.gz KIRAUIMGMGGWHM-CZUORRHYSA-N 1 0 357.406 2.631 20 10 FFCDRO CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793761163 1003483182 /nfs/dbraw/zinc/48/31/82/1003483182.db2.gz SZQYOPGFALKZJQ-UTKZUKDTSA-N 1 0 373.541 2.896 20 10 FFCDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775677742 1003633726 /nfs/dbraw/zinc/63/37/26/1003633726.db2.gz IKPBESYWODRIJB-PXNSSMCTSA-N 1 0 359.514 2.902 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H](C)O1 ZINC000867152768 1003652284 /nfs/dbraw/zinc/65/22/84/1003652284.db2.gz PSBFYSSEAOMUBY-LZJOCLMNSA-N 1 0 371.525 2.648 20 10 FFCDRO Cc1ccc([C@H]2COCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000775700066 1003706447 /nfs/dbraw/zinc/70/64/47/1003706447.db2.gz FCGFKVJTSHBFBI-HXUWFJFHSA-N 1 0 355.482 2.913 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000806810105 1004421795 /nfs/dbraw/zinc/42/17/95/1004421795.db2.gz GEPFVYACTGJTRP-DNVCBOLYSA-N 1 0 369.465 2.863 20 10 FFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)C1 ZINC001170519470 1004531473 /nfs/dbraw/zinc/53/14/73/1004531473.db2.gz MYFGBDKTRMCSDD-RYMBOPBQSA-N 1 0 370.449 2.770 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OCCC(C)C)CC2)cc1 ZINC001194884420 1004836223 /nfs/dbraw/zinc/83/62/23/1004836223.db2.gz LQGYCDTZHVPHLZ-UHFFFAOYSA-N 1 0 363.502 2.980 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000776218086 1005281899 /nfs/dbraw/zinc/28/18/99/1005281899.db2.gz WRMPZNFTTBVTLS-NEWSRXKRSA-N 1 0 352.434 2.647 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(CO)c1 ZINC000776305365 1005355198 /nfs/dbraw/zinc/35/51/98/1005355198.db2.gz GTMRUFPOWUPLRA-JXFKEZNVSA-N 1 0 367.493 2.731 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000850345957 1005809044 /nfs/dbraw/zinc/80/90/44/1005809044.db2.gz AOZOLWOOLJPPMH-GOSISDBHSA-N 1 0 363.465 2.704 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc(-n4cnnn4)c3)C2)cc1 ZINC000850486200 1005818338 /nfs/dbraw/zinc/81/83/38/1005818338.db2.gz AUVKJJGYXGMWNU-NVXWUHKLSA-N 1 0 364.453 2.600 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000850506623 1005819238 /nfs/dbraw/zinc/81/92/38/1005819238.db2.gz GCOXQESQRPHTBI-GHTZIAJQSA-N 1 0 362.514 2.886 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509828 1005819677 /nfs/dbraw/zinc/81/96/77/1005819677.db2.gz SYEPSLXWVWNSKY-OXQOHEQNSA-N 1 0 366.477 2.635 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[NH2+]C3CCCCCC3)C2)cc1 ZINC000851662640 1005904610 /nfs/dbraw/zinc/90/46/10/1005904610.db2.gz GKEGCVZIJBLNMV-GOSISDBHSA-N 1 0 374.529 2.886 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000851958328 1005926398 /nfs/dbraw/zinc/92/63/98/1005926398.db2.gz AYWKPALRZORKDO-KSZLIROESA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000851958327 1005926555 /nfs/dbraw/zinc/92/65/55/1005926555.db2.gz AYWKPALRZORKDO-BZSNNMDCSA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000852185409 1005948715 /nfs/dbraw/zinc/94/87/15/1005948715.db2.gz XTRYZPKYCHCAKN-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852348579 1005988282 /nfs/dbraw/zinc/98/82/82/1005988282.db2.gz PJXKKFITBHIKAP-IRXDYDNUSA-N 1 0 362.518 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000852386309 1006002503 /nfs/dbraw/zinc/00/25/03/1006002503.db2.gz BIFGGKRLQLXFOZ-WMZOPIPTSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000852412393 1006014019 /nfs/dbraw/zinc/01/40/19/1006014019.db2.gz SSPVTWWCLGEKNQ-GOSISDBHSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC000852451445 1006033329 /nfs/dbraw/zinc/03/33/29/1006033329.db2.gz KZXFCBFMAKXSPL-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000852452934 1006034115 /nfs/dbraw/zinc/03/41/15/1006034115.db2.gz FSAUELXTEUVLGF-QZTJIDSGSA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1cc(C(=O)Cn2cc(CCC[NH3+])nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351150 1006057781 /nfs/dbraw/zinc/05/77/81/1006057781.db2.gz OFMINQLFEQPWNW-UHFFFAOYSA-N 1 0 372.860 2.508 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852598258 1006096761 /nfs/dbraw/zinc/09/67/61/1006096761.db2.gz VRBVTHASKOCWCJ-FPOVZHCZSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@H](Sc1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850953 1006242874 /nfs/dbraw/zinc/24/28/74/1006242874.db2.gz LVDFHHGVCOFBLK-INIZCTEOSA-N 1 0 370.522 2.630 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Nc1ccccc1 ZINC000853121193 1006305556 /nfs/dbraw/zinc/30/55/56/1006305556.db2.gz BCDGSSAPWJGGJA-UHFFFAOYSA-N 1 0 353.466 2.766 20 10 FFCDRO CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000853486517 1006406692 /nfs/dbraw/zinc/40/66/92/1006406692.db2.gz FJILNQWNMXXJOQ-YLJYHZDGSA-N 1 0 374.529 2.710 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cc1C ZINC000853528626 1006430940 /nfs/dbraw/zinc/43/09/40/1006430940.db2.gz PUOVSBPHCPOHSQ-KDURUIRLSA-N 1 0 364.445 2.626 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853558612 1006444509 /nfs/dbraw/zinc/44/45/09/1006444509.db2.gz AUUZVPVCFGLKQR-SFHVURJKSA-N 1 0 354.450 2.870 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000853558609 1006445071 /nfs/dbraw/zinc/44/50/71/1006445071.db2.gz AUUZVPVCFGLKQR-GOSISDBHSA-N 1 0 354.450 2.870 20 10 FFCDRO Cc1cc(CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)ccc1N(C)C ZINC000815037124 1006502137 /nfs/dbraw/zinc/50/21/37/1006502137.db2.gz FKDBMCJORLORLT-GOSISDBHSA-N 1 0 372.557 2.626 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3c4c(nn3C)CCSC4)CC2)cc1 ZINC000882959253 1006576936 /nfs/dbraw/zinc/57/69/36/1006576936.db2.gz ZUAURPKYFWYMQM-UHFFFAOYSA-N 1 0 372.538 2.977 20 10 FFCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883055541 1006620275 /nfs/dbraw/zinc/62/02/75/1006620275.db2.gz MXIISXSOVJDJBD-KRWDZBQOSA-N 1 0 361.392 2.732 20 10 FFCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000775184975 1006657728 /nfs/dbraw/zinc/65/77/28/1006657728.db2.gz UIPCJZPBTTWIEW-UHFFFAOYSA-N 1 0 357.450 2.991 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)cc1F ZINC000775200992 1006740009 /nfs/dbraw/zinc/74/00/09/1006740009.db2.gz ABROJEFHOFMQLZ-MSOLQXFVSA-N 1 0 368.493 2.518 20 10 FFCDRO O=C(NCc1ccco1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000132288026 1006898658 /nfs/dbraw/zinc/89/86/58/1006898658.db2.gz HGGCHGJCUGATJW-UHFFFAOYSA-N 1 0 368.481 2.811 20 10 FFCDRO CC(C)OC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000883810307 1007018395 /nfs/dbraw/zinc/01/83/95/1007018395.db2.gz IEQLHGSHISRRPE-UHFFFAOYSA-N 1 0 374.529 2.585 20 10 FFCDRO CCc1nc(CN2CC[NH+](Cc3ccc4ccccc4c3O)CC2)no1 ZINC000816507686 1007087517 /nfs/dbraw/zinc/08/75/17/1007087517.db2.gz ORWFTPXBXKWJBN-UHFFFAOYSA-N 1 0 352.438 2.809 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775259168 1007133177 /nfs/dbraw/zinc/13/31/77/1007133177.db2.gz GCSBELAZTXOLNX-CQSZACIVSA-N 1 0 374.872 2.861 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C2)cc1 ZINC000855228184 1007193059 /nfs/dbraw/zinc/19/30/59/1007193059.db2.gz XAEWQKHXTAQTIR-QGZVFWFLSA-N 1 0 359.514 2.902 20 10 FFCDRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193947 1007305110 /nfs/dbraw/zinc/30/51/10/1007305110.db2.gz UOKNMUKHVGUUOV-HXUWFJFHSA-N 1 0 362.477 2.954 20 10 FFCDRO CCc1cc(C[NH+]2CCC(O)(COCCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000884478246 1007458199 /nfs/dbraw/zinc/45/81/99/1007458199.db2.gz VTOSBVCPZYTNDT-UHFFFAOYSA-N 1 0 365.514 2.588 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C3CCCC3)C1)cc2=O ZINC000817282743 1007506932 /nfs/dbraw/zinc/50/69/32/1007506932.db2.gz JLKGRFFKIUWTCZ-AWEZNQCLSA-N 1 0 358.442 2.624 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000817375844 1007568018 /nfs/dbraw/zinc/56/80/18/1007568018.db2.gz SSMCKZQMWIWMKW-SUYBPPKGSA-N 1 0 363.454 2.618 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000775376005 1007586501 /nfs/dbraw/zinc/58/65/01/1007586501.db2.gz RAOKMYRTWFHXRH-CHWSQXEVSA-N 1 0 372.421 2.850 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3(OC)CCCC3)CC2)cc1 ZINC000817575492 1007655467 /nfs/dbraw/zinc/65/54/67/1007655467.db2.gz XPFUNTLQMPLTQI-SFHVURJKSA-N 1 0 361.530 2.755 20 10 FFCDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000856211083 1007727880 /nfs/dbraw/zinc/72/78/80/1007727880.db2.gz YVBHJRVHVCKQBQ-UHFFFAOYSA-N 1 0 367.493 2.639 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817887754 1007785550 /nfs/dbraw/zinc/78/55/50/1007785550.db2.gz DLSZPSUVHMHJJZ-OXQOHEQNSA-N 1 0 357.473 2.710 20 10 FFCDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897997 1007804427 /nfs/dbraw/zinc/80/44/27/1007804427.db2.gz YKMKQYYHNPQAII-UXHICEINSA-N 1 0 359.514 2.839 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000817942725 1007821252 /nfs/dbraw/zinc/82/12/52/1007821252.db2.gz QPJDOZMCAJWHLR-MOPGFXCFSA-N 1 0 353.445 2.994 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)n(C)c1C ZINC000818221490 1007888085 /nfs/dbraw/zinc/88/80/85/1007888085.db2.gz NHHKFQLCZYEWEV-MRXNPFEDSA-N 1 0 371.481 2.745 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@]3(CC=CCC3)C1)cc2=O ZINC000114494969 1007934573 /nfs/dbraw/zinc/93/45/73/1007934573.db2.gz REJYLWBDPXPVOH-HXUWFJFHSA-N 1 0 370.453 2.934 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000818634678 1007957094 /nfs/dbraw/zinc/95/70/94/1007957094.db2.gz BGVLRJZSLONYGW-HNNXBMFYSA-N 1 0 366.465 2.946 20 10 FFCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966634 1007981038 /nfs/dbraw/zinc/98/10/38/1007981038.db2.gz LYHMJOTTYLPUAU-JZXOWHBKSA-N 1 0 368.493 2.562 20 10 FFCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818966741 1007981412 /nfs/dbraw/zinc/98/14/12/1007981412.db2.gz NYVXPYOSOWSVHA-KKSFZXQISA-N 1 0 358.457 2.917 20 10 FFCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818966734 1007981665 /nfs/dbraw/zinc/98/16/65/1007981665.db2.gz NYVXPYOSOWSVHA-HRAATJIYSA-N 1 0 358.457 2.917 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1F ZINC000818973853 1008013153 /nfs/dbraw/zinc/01/31/53/1008013153.db2.gz WZVHGQVIIQVJBW-UHFFFAOYSA-N 1 0 357.429 2.781 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000819381268 1008127888 /nfs/dbraw/zinc/12/78/88/1008127888.db2.gz XEFXIMJQRACREN-LPHOPBHVSA-N 1 0 374.456 2.690 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccnc(C)c3)CC2)cc1 ZINC000858090016 1008300020 /nfs/dbraw/zinc/30/00/20/1008300020.db2.gz IRRUOTHMWWMGET-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1F ZINC000858095771 1008300803 /nfs/dbraw/zinc/30/08/03/1008300803.db2.gz UOIRUCDKMLLBMW-UHFFFAOYSA-N 1 0 362.424 2.552 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858242226 1008331736 /nfs/dbraw/zinc/33/17/36/1008331736.db2.gz GHQJIWCHEPATPO-HXUWFJFHSA-N 1 0 354.498 2.879 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858306311 1008342782 /nfs/dbraw/zinc/34/27/82/1008342782.db2.gz LUNWVEPWIXJMSX-QFIPXVFZSA-N 1 0 368.525 2.918 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-n4ccc(=O)[nH]4)cc3)cc2)CC1 ZINC000858304245 1008342985 /nfs/dbraw/zinc/34/29/85/1008342985.db2.gz LIOZLGOWUSSCEM-UHFFFAOYSA-N 1 0 363.465 2.942 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1 ZINC000858488224 1008367643 /nfs/dbraw/zinc/36/76/43/1008367643.db2.gz CXJWHNVCXWNFPI-AEFFLSMTSA-N 1 0 365.485 2.510 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(N(C)C)cc1 ZINC000858565442 1008383388 /nfs/dbraw/zinc/38/33/88/1008383388.db2.gz PPWPEUXVBGCWLT-LAUBAEHRSA-N 1 0 354.498 2.699 20 10 FFCDRO CCC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCOCC1 ZINC000886324804 1008637789 /nfs/dbraw/zinc/63/77/89/1008637789.db2.gz HVUGFXVTIJGKAC-UHFFFAOYSA-N 1 0 359.514 2.685 20 10 FFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886325177 1008639014 /nfs/dbraw/zinc/63/90/14/1008639014.db2.gz XXHZNVSSIKRABM-UHFFFAOYSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)cc1Cn1cccn1 ZINC000886329079 1008639163 /nfs/dbraw/zinc/63/91/63/1008639163.db2.gz YAKPGFOSYRQHCG-LKUPVBHCSA-N 1 0 371.481 2.756 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)oc1C ZINC000822494683 1008652013 /nfs/dbraw/zinc/65/20/13/1008652013.db2.gz SOCWZHGTDRRSDW-HNNXBMFYSA-N 1 0 358.438 2.999 20 10 FFCDRO C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1c([O-])cccc1F ZINC000886522399 1008717891 /nfs/dbraw/zinc/71/78/91/1008717891.db2.gz IGEHUVIQFSFGLG-MRXNPFEDSA-N 1 0 373.476 2.574 20 10 FFCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822740105 1008750892 /nfs/dbraw/zinc/75/08/92/1008750892.db2.gz MBQWUEPTSOVZAE-GOSISDBHSA-N 1 0 364.486 2.832 20 10 FFCDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177830545 1008761298 /nfs/dbraw/zinc/76/12/98/1008761298.db2.gz XRKVVYBIATXJCB-UTKZUKDTSA-N 1 0 371.500 2.832 20 10 FFCDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C12CCC2 ZINC000886749010 1008859021 /nfs/dbraw/zinc/85/90/21/1008859021.db2.gz GFNYHXCDAFADQG-PMACEKPBSA-N 1 0 371.525 2.826 20 10 FFCDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000823057435 1008887819 /nfs/dbraw/zinc/88/78/19/1008887819.db2.gz BTPBZURFQNJXAR-ZWKOTPCHSA-N 1 0 361.486 2.567 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823025082 1008895181 /nfs/dbraw/zinc/89/51/81/1008895181.db2.gz FXXZSZGRFZEOQT-IEBWSBKVSA-N 1 0 374.529 2.695 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000773734918 1008921516 /nfs/dbraw/zinc/92/15/16/1008921516.db2.gz TXPCFNWFQRUUIH-UHFFFAOYSA-N 1 0 355.442 2.768 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000823386888 1009043441 /nfs/dbraw/zinc/04/34/41/1009043441.db2.gz PFQBWQIVEDLLOJ-UHFFFAOYSA-N 1 0 373.522 2.675 20 10 FFCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000823671921 1009166493 /nfs/dbraw/zinc/16/64/93/1009166493.db2.gz XQBVFVWFMIOWMS-ZIAGYGMSSA-N 1 0 361.465 2.649 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(C(F)(F)F)c1 ZINC001179333068 1009320080 /nfs/dbraw/zinc/32/00/80/1009320080.db2.gz PEFIEDIPBBYJGH-AWEZNQCLSA-N 1 0 359.436 2.706 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001180130580 1009556483 /nfs/dbraw/zinc/55/64/83/1009556483.db2.gz VQBVWWDWYJLTNQ-RMDJJUSOSA-N 1 0 365.481 2.859 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1 ZINC001180122187 1009569183 /nfs/dbraw/zinc/56/91/83/1009569183.db2.gz KWMHYDZQMPINEV-IZZDOVSWSA-N 1 0 365.481 2.551 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861914015 1009619093 /nfs/dbraw/zinc/61/90/93/1009619093.db2.gz GEGZHAWSASTFJO-RUYXUALKSA-N 1 0 351.450 2.539 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1F ZINC000862252918 1009766293 /nfs/dbraw/zinc/76/62/93/1009766293.db2.gz IHUYOUYOVRZXTL-DNVCBOLYSA-N 1 0 364.440 2.852 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000862352803 1009804769 /nfs/dbraw/zinc/80/47/69/1009804769.db2.gz HQRJRHUFVRASOR-SUMWQHHRSA-N 1 0 366.458 2.515 20 10 FFCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001181457978 1010106432 /nfs/dbraw/zinc/10/64/32/1010106432.db2.gz SIVHRHBBYYPCCE-GOSISDBHSA-N 1 0 363.502 2.998 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnnc(C)c3)C[C@H]2C)cc1C ZINC001093737439 1010516027 /nfs/dbraw/zinc/51/60/27/1010516027.db2.gz ZDPMPZYHEDNNET-DNVCBOLYSA-N 1 0 368.481 2.600 20 10 FFCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CCCC2 ZINC000865632986 1010831706 /nfs/dbraw/zinc/83/17/06/1010831706.db2.gz WKMKSHYJWULFAU-UHFFFAOYSA-N 1 0 354.498 2.550 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000865780425 1010861286 /nfs/dbraw/zinc/86/12/86/1010861286.db2.gz ZDXXMSQRASDGSF-FQEVSTJZSA-N 1 0 360.498 2.839 20 10 FFCDRO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120871377 1010909907 /nfs/dbraw/zinc/90/99/07/1010909907.db2.gz RWYJJBSNUGKSDT-GUDVDZBRSA-N 1 0 373.541 2.848 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccnc(C)n3)C[C@H]2C)cc1C ZINC001094228048 1010972185 /nfs/dbraw/zinc/97/21/85/1010972185.db2.gz IXVLYVJFFRCVPJ-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccncc3C)cc2F)CC1 ZINC000121656604 1011067596 /nfs/dbraw/zinc/06/75/96/1011067596.db2.gz OEVCNPMUQRTYGM-UHFFFAOYSA-N 1 0 371.460 2.993 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)c(OC)c1 ZINC000868163291 1011186869 /nfs/dbraw/zinc/18/68/69/1011186869.db2.gz BLMSYHJXWUAPNP-UHFFFAOYSA-N 1 0 370.453 2.517 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)cn3)cc2F)CC1 ZINC000122205948 1011373617 /nfs/dbraw/zinc/37/36/17/1011373617.db2.gz FZTDHVYUQPMRJN-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO Cc1cnccc1OC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000773336990 1011406887 /nfs/dbraw/zinc/40/68/87/1011406887.db2.gz DHLMPEXNIAGPNN-GOSISDBHSA-N 1 0 356.422 2.565 20 10 FFCDRO C[C@H](NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC001171730989 1011441358 /nfs/dbraw/zinc/44/13/58/1011441358.db2.gz VRCWVLYEWJURCJ-KKSFZXQISA-N 1 0 354.450 2.597 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCOCC3)CC2)ccc1N(C)C ZINC001139670976 1032572912 /nfs/dbraw/zinc/57/29/12/1032572912.db2.gz JLEKRHUMJYZWGU-LJQANCHMSA-N 1 0 371.525 2.522 20 10 FFCDRO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275026758 1011825763 /nfs/dbraw/zinc/82/57/63/1011825763.db2.gz AOJNOYPOKUGRHB-NRFANRHFSA-N 1 0 357.498 2.738 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000122710837 1011872879 /nfs/dbraw/zinc/87/28/79/1011872879.db2.gz LMEUWHVVVSVJHW-SOLBZPMBSA-N 1 0 372.513 2.509 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1cc(O)c(O)cc1O)CC2 ZINC001172899915 1012074592 /nfs/dbraw/zinc/07/45/92/1012074592.db2.gz FGDUCMPPLCMWFX-OAHLLOKOSA-N 1 0 358.394 2.791 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCc3nnc(-c4cnn(C)c4)cc3C2)c1 ZINC000828104261 1032599352 /nfs/dbraw/zinc/59/93/52/1032599352.db2.gz OBWXHQVXSDVNEG-UHFFFAOYSA-N 1 0 365.437 2.540 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)C(=O)N1CCC(F)(F)F ZINC001275231625 1012110938 /nfs/dbraw/zinc/11/09/38/1012110938.db2.gz DKACWMKLXWWQSH-QGZVFWFLSA-N 1 0 370.371 2.686 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275248610 1012139239 /nfs/dbraw/zinc/13/92/39/1012139239.db2.gz POXGAEFABXZKGQ-FZKQIMNGSA-N 1 0 352.862 2.647 20 10 FFCDRO O=C1N(CCn2ccnc2)CC[C@@]12CCC[N@H+]2Cc1cc(Cl)ccc1O ZINC001275254485 1012144568 /nfs/dbraw/zinc/14/45/68/1012144568.db2.gz QMAVOBQSCASAHK-IBGZPJMESA-N 1 0 374.872 2.509 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c1O ZINC001275279014 1012190622 /nfs/dbraw/zinc/19/06/22/1012190622.db2.gz FQAAKGFLHWAZGQ-MRXNPFEDSA-N 1 0 358.360 2.535 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)c1O ZINC001275279015 1012191309 /nfs/dbraw/zinc/19/13/09/1012191309.db2.gz FSUJTVUIKNNZNZ-UHFFFAOYSA-N 1 0 352.434 2.916 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CC2CCOCC2)C3=O)c(O)c1 ZINC001275388072 1012411023 /nfs/dbraw/zinc/41/10/23/1012411023.db2.gz MRXUWIDVAGEDIU-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2ccncc2)C3=O)c(O)c1 ZINC001275388574 1012411292 /nfs/dbraw/zinc/41/12/92/1012411292.db2.gz SRPQTGBOUCKLDV-OAQYLSRUSA-N 1 0 351.450 2.863 20 10 FFCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cc(OC)cc2OC)C1=O ZINC001275437271 1012460367 /nfs/dbraw/zinc/46/03/67/1012460367.db2.gz VIUFYMKBUDOVNL-FQEVSTJZSA-N 1 0 362.470 2.776 20 10 FFCDRO O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001275578452 1012637663 /nfs/dbraw/zinc/63/76/63/1012637663.db2.gz JVVOEYWAATVGKO-UHFFFAOYSA-N 1 0 372.387 2.865 20 10 FFCDRO CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275597916 1012673514 /nfs/dbraw/zinc/67/35/14/1012673514.db2.gz LFXQOVOSGMYZFK-NRFANRHFSA-N 1 0 359.514 2.746 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc2n(n1)CCC2 ZINC000827095186 1017103944 /nfs/dbraw/zinc/10/39/44/1017103944.db2.gz BUUJJFUIVLSYCM-HNNXBMFYSA-N 1 0 374.872 2.583 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnnn1-c1ccccc1 ZINC000924751447 1017463148 /nfs/dbraw/zinc/46/31/48/1017463148.db2.gz KQUHZQLFYJQPEK-QGZVFWFLSA-N 1 0 363.465 2.955 20 10 FFCDRO C[C@@H]1C[C@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2ncnn21 ZINC000925677204 1017814085 /nfs/dbraw/zinc/81/40/85/1017814085.db2.gz ORXZDSWFDHHEAO-UZLBHIALSA-N 1 0 366.513 2.606 20 10 FFCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001222079961 1032742889 /nfs/dbraw/zinc/74/28/89/1032742889.db2.gz HQMAXUGSCGSLTP-OAHLLOKOSA-N 1 0 354.878 2.680 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000827662183 1018601966 /nfs/dbraw/zinc/60/19/66/1018601966.db2.gz MYZPIEQBTGUGCO-UHFFFAOYSA-N 1 0 372.440 2.863 20 10 FFCDRO CCC[N@H+](Cc1nc(-c2ccc(OC)nn2)no1)Cc1ccccc1O ZINC000827938374 1019055069 /nfs/dbraw/zinc/05/50/69/1019055069.db2.gz LZAPSQRBACQQHM-UHFFFAOYSA-N 1 0 355.398 2.653 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC001045127642 1019845789 /nfs/dbraw/zinc/84/57/89/1019845789.db2.gz SJUFDQMZPFLEBW-FJEWGBTGSA-N 1 0 370.493 2.508 20 10 FFCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217745915 1032857519 /nfs/dbraw/zinc/85/75/19/1032857519.db2.gz FCSIOVXENIMCKI-GUYCJALGSA-N 1 0 353.426 2.517 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222271569 1032860342 /nfs/dbraw/zinc/86/03/42/1032860342.db2.gz HYUBJLHUFONCIH-OAQYLSRUSA-N 1 0 355.482 2.931 20 10 FFCDRO Cc1cc(NC(=O)NCc2c(O)cccc2F)n(C2CC[NH+](C)CC2)n1 ZINC000930282210 1019960691 /nfs/dbraw/zinc/96/06/91/1019960691.db2.gz STXMKKKZJQCUPD-UHFFFAOYSA-N 1 0 361.421 2.625 20 10 FFCDRO CN(C)c1ccc([C@@H](CN2C(=O)[C@H]3CCCCCN3C2=O)[NH+](C)C)cc1 ZINC000900184745 1020248467 /nfs/dbraw/zinc/24/84/67/1020248467.db2.gz GBGMDKBPXQCAAW-QZTJIDSGSA-N 1 0 358.486 2.562 20 10 FFCDRO COc1cccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)c1 ZINC000931548522 1020510284 /nfs/dbraw/zinc/51/02/84/1020510284.db2.gz SRPCOMHDAMAQRK-JOCHJYFZSA-N 1 0 367.493 2.678 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1CN1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222365816 1032916516 /nfs/dbraw/zinc/91/65/16/1032916516.db2.gz CKWWJZBZILRLOJ-QFIPXVFZSA-N 1 0 368.477 2.926 20 10 FFCDRO c1ccc([C@]23COC[C@H]2C[N@@H+](Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000931907981 1020629085 /nfs/dbraw/zinc/62/90/85/1020629085.db2.gz DSXQHWRUCYLVLC-GGAORHGYSA-N 1 0 364.489 2.923 20 10 FFCDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217951313 1032915075 /nfs/dbraw/zinc/91/50/75/1032915075.db2.gz RDNZBPBZIQTACJ-HOCLYGCPSA-N 1 0 369.392 2.945 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217976755 1032929412 /nfs/dbraw/zinc/92/94/12/1032929412.db2.gz LKKJPVMHMCPZNZ-GOEBONIOSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@H]3CCCC[NH2+]C3)c21 ZINC001217974917 1032927312 /nfs/dbraw/zinc/92/73/12/1032927312.db2.gz QXTHMOKJWHUMRQ-LBPRGKRZSA-N 1 0 366.373 2.891 20 10 FFCDRO CC(C)O[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000903361416 1020805077 /nfs/dbraw/zinc/80/50/77/1020805077.db2.gz SHQYJQFUJRYFEE-OXJNMPFZSA-N 1 0 366.477 2.897 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc2c(cc1O)CCCC2 ZINC000903399170 1020822930 /nfs/dbraw/zinc/82/29/30/1020822930.db2.gz VPTVAIGZNZWJAO-CJNGLKHVSA-N 1 0 354.454 2.696 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1F ZINC000749219015 1020882101 /nfs/dbraw/zinc/88/21/01/1020882101.db2.gz HDTYSSFUWKXWGQ-GOSISDBHSA-N 1 0 370.472 2.815 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+]C[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218066533 1032978219 /nfs/dbraw/zinc/97/82/19/1032978219.db2.gz LTWIQFWOLVHHRU-HUUCEWRRSA-N 1 0 355.365 2.549 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[C@H]3C[NH2+]C[C@H]3C1)C(=O)c1ccccc1C2=O ZINC001218136526 1033014099 /nfs/dbraw/zinc/01/40/99/1033014099.db2.gz VELRDZCDQCXDEV-BTTYYORXSA-N 1 0 363.413 2.853 20 10 FFCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000381425071 1022021400 /nfs/dbraw/zinc/02/14/00/1022021400.db2.gz BIMSQUKLACSMNQ-JKSUJKDBSA-N 1 0 363.502 2.915 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C(F)F)C[C@H]2C(F)(F)F)cc1C ZINC001099196494 1022058480 /nfs/dbraw/zinc/05/84/80/1022058480.db2.gz IBVKRBUVCVYSDL-VXGBXAGGSA-N 1 0 366.330 2.748 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[C@H]3CC[NH2+][C@@H]3C1)C(=O)c1ccccc1C2=O ZINC001218252673 1033068739 /nfs/dbraw/zinc/06/87/39/1033068739.db2.gz UOCIBCHKCPWRPJ-PBFPGSCMSA-N 1 0 363.413 2.995 20 10 FFCDRO COc1cccc(C(=O)N2CCN(Cc3cc(F)ccc3O)CC2)c1OC ZINC000779002746 1022630650 /nfs/dbraw/zinc/63/06/50/1022630650.db2.gz OFKGZJBPVSFFMU-UHFFFAOYSA-N 1 0 374.412 2.507 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000159483691 1022697460 /nfs/dbraw/zinc/69/74/60/1022697460.db2.gz IUSYGKIYSUKYSX-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC000048458107 1022727468 /nfs/dbraw/zinc/72/74/68/1022727468.db2.gz BRBPCZNHBQKWEI-ROUUACIJSA-N 1 0 374.529 2.585 20 10 FFCDRO Cc1cnc(C)nc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001119907393 1023156309 /nfs/dbraw/zinc/15/63/09/1023156309.db2.gz NCOKUZNRTKWPNQ-QGZVFWFLSA-N 1 0 356.474 2.584 20 10 FFCDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753547920 1023350786 /nfs/dbraw/zinc/35/07/86/1023350786.db2.gz YEUVUICBDOGQNR-UHFFFAOYSA-N 1 0 370.493 2.860 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[C@@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218407363 1033142239 /nfs/dbraw/zinc/14/22/39/1033142239.db2.gz PNHZTLVLSWIJLS-OLZOCXBDSA-N 1 0 351.402 2.990 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[C@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218407368 1033142305 /nfs/dbraw/zinc/14/23/05/1033142305.db2.gz PNHZTLVLSWIJLS-STQMWFEESA-N 1 0 351.402 2.990 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756526003 1023722678 /nfs/dbraw/zinc/72/26/78/1023722678.db2.gz PAHZCKSGZQUMEI-OXJNMPFZSA-N 1 0 373.541 2.864 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c2c1c(F)ccc2O ZINC000756731690 1023750856 /nfs/dbraw/zinc/75/08/56/1023750856.db2.gz HYVNDYUXJSDTSJ-BNOWGMLFSA-N 1 0 358.417 2.598 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C[NH2+]CCC1(F)F ZINC001218447698 1033160486 /nfs/dbraw/zinc/16/04/86/1033160486.db2.gz KZMUHBPXCYZCOT-CQSZACIVSA-N 1 0 359.328 2.544 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1C[NH2+]CCC1(F)F)C(=O)c1ccccc1C2=O ZINC001218454935 1033164824 /nfs/dbraw/zinc/16/48/24/1033164824.db2.gz TXSOBAWALMYBDR-OAHLLOKOSA-N 1 0 373.355 2.847 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3ccc(C)cc3O)C2)nc1 ZINC000757655732 1023842857 /nfs/dbraw/zinc/84/28/57/1023842857.db2.gz PVBLCHPEADHSEE-AWEZNQCLSA-N 1 0 355.438 2.812 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078559651 1023884921 /nfs/dbraw/zinc/88/49/21/1023884921.db2.gz UYDWEIXSSRXNLI-DYLHUKMJSA-N 1 0 361.442 2.949 20 10 FFCDRO CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000779516921 1023949427 /nfs/dbraw/zinc/94/94/27/1023949427.db2.gz JKLFFIJNVDKMIE-WZUFQYTHSA-N 1 0 356.422 2.714 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000758616243 1024219397 /nfs/dbraw/zinc/21/93/97/1024219397.db2.gz XKRUKEFNRIEJFR-QGZVFWFLSA-N 1 0 354.450 2.929 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(C)n1-c1ccccc1 ZINC001137854452 1033216050 /nfs/dbraw/zinc/21/60/50/1033216050.db2.gz XLOVWSBXWXYZNQ-ROUUACIJSA-N 1 0 368.399 2.954 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCN(c4nccc5occc54)CC3)ccc21 ZINC001141143753 1025517733 /nfs/dbraw/zinc/51/77/33/1025517733.db2.gz IZJIBVWGOMFMQP-UHFFFAOYSA-N 1 0 364.449 2.979 20 10 FFCDRO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141145386 1025521345 /nfs/dbraw/zinc/52/13/45/1025521345.db2.gz BGENTLIPNQOIGL-KRWDZBQOSA-N 1 0 354.454 2.657 20 10 FFCDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(O)ccc4O)C3)CC2=O)cc1 ZINC001141158198 1025537580 /nfs/dbraw/zinc/53/75/80/1025537580.db2.gz VXMDFRVVVLWZJE-NRFANRHFSA-N 1 0 368.433 2.735 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c1 ZINC001141157453 1025537839 /nfs/dbraw/zinc/53/78/39/1025537839.db2.gz IJUABFYHJITANP-PZJWPPBQSA-N 1 0 370.449 2.833 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141158996 1025540677 /nfs/dbraw/zinc/54/06/77/1025540677.db2.gz VEQURSMUQLHTSQ-NRFANRHFSA-N 1 0 367.449 2.508 20 10 FFCDRO COC(=O)c1ccc(CN2CC[N@H+](Cc3cc(O)ccc3O)[C@@H](C)C2)cc1 ZINC001141159220 1025543509 /nfs/dbraw/zinc/54/35/09/1025543509.db2.gz CLYCJALXIGSAAB-HNNXBMFYSA-N 1 0 370.449 2.591 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)n(-c2ccccc2)n1 ZINC001141162504 1025546795 /nfs/dbraw/zinc/54/67/95/1025546795.db2.gz VDPWYDYZXJKPBZ-UHFFFAOYSA-N 1 0 364.449 2.914 20 10 FFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709339 1025976151 /nfs/dbraw/zinc/97/61/51/1025976151.db2.gz SBCJPUAHBIHMKX-CYBMUJFWSA-N 1 0 369.456 2.584 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1 ZINC000839640853 1026769937 /nfs/dbraw/zinc/76/99/37/1026769937.db2.gz REGCPIRSQCOHAD-KRWDZBQOSA-N 1 0 353.466 2.687 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cccnc1 ZINC000092126422 1027227749 /nfs/dbraw/zinc/22/77/49/1027227749.db2.gz ZHOUORJZVJZBIQ-UHFFFAOYSA-N 1 0 350.466 2.544 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCC1 ZINC000092436009 1027324589 /nfs/dbraw/zinc/32/45/89/1027324589.db2.gz PSFGEVXSJLRDHI-UHFFFAOYSA-N 1 0 356.514 2.913 20 10 FFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092707667 1027408986 /nfs/dbraw/zinc/40/89/86/1027408986.db2.gz BXHSDOSDOJNJSD-LJQANCHMSA-N 1 0 359.514 2.652 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000795952536 1028370138 /nfs/dbraw/zinc/37/01/38/1028370138.db2.gz FLXYRTBMJKYOPP-GOSISDBHSA-N 1 0 356.422 2.755 20 10 FFCDRO C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000781397103 1029190388 /nfs/dbraw/zinc/19/03/88/1029190388.db2.gz XEAJSPNTUSAWOG-LPHOPBHVSA-N 1 0 373.497 2.733 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cnccc3OC)CC2)cc1 ZINC001164333646 1029249836 /nfs/dbraw/zinc/24/98/36/1029249836.db2.gz BAYQYUXNWRGXPP-UHFFFAOYSA-N 1 0 356.470 2.723 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nccnc3OC3CCC3)cc2)CC1 ZINC001156659595 1029292933 /nfs/dbraw/zinc/29/29/33/1029292933.db2.gz MYTVWJPQYHOJOX-UHFFFAOYSA-N 1 0 353.470 2.772 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000840940194 1029936046 /nfs/dbraw/zinc/93/60/46/1029936046.db2.gz WUBVQWHSCBQIBZ-UHFFFAOYSA-N 1 0 373.522 2.891 20 10 FFCDRO Nc1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000841035726 1029993361 /nfs/dbraw/zinc/99/33/61/1029993361.db2.gz HSFOCFPMLTWOOI-UHFFFAOYSA-N 1 0 350.422 2.762 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccc4c3OCO4)cc2F)CC1 ZINC000098173761 1029999076 /nfs/dbraw/zinc/99/90/76/1029999076.db2.gz XPNKLLGHYFFNEU-UHFFFAOYSA-N 1 0 358.413 2.805 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000841126424 1030059437 /nfs/dbraw/zinc/05/94/37/1030059437.db2.gz ZKGMKJQYEKQAMI-UHFFFAOYSA-N 1 0 369.465 2.879 20 10 FFCDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000841148943 1030075069 /nfs/dbraw/zinc/07/50/69/1030075069.db2.gz BKFCTLIQQQSFRC-KRWDZBQOSA-N 1 0 351.410 2.861 20 10 FFCDRO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(N(C)C)cc1 ZINC000841321845 1030193319 /nfs/dbraw/zinc/19/33/19/1030193319.db2.gz MHRPBBBMLYZVDH-CJNGLKHVSA-N 1 0 353.470 2.846 20 10 FFCDRO Nc1ccc(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000841670891 1030391261 /nfs/dbraw/zinc/39/12/61/1030391261.db2.gz WCOODFFBQJKBIP-UHFFFAOYSA-N 1 0 352.482 2.907 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000841787210 1030466393 /nfs/dbraw/zinc/46/63/93/1030466393.db2.gz BWBWFZJIMFMMDE-FQEVSTJZSA-N 1 0 366.509 2.675 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000841793003 1030470284 /nfs/dbraw/zinc/47/02/84/1030470284.db2.gz IATCFNBOFUMZJS-KRWDZBQOSA-N 1 0 366.456 2.719 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841880789 1030519364 /nfs/dbraw/zinc/51/93/64/1030519364.db2.gz HTSSKOJWEMMPIK-QRWLVFNGSA-N 1 0 352.482 3.000 20 10 FFCDRO [NH3+]CC1(O)CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000842480572 1030754742 /nfs/dbraw/zinc/75/47/42/1030754742.db2.gz RWWKCZGLUMJDQS-UHFFFAOYSA-N 1 0 367.453 2.826 20 10 FFCDRO Cc1nc(CN2C[C@]3(CC[N@H+](Cc4ccccc4O)C3)CC2=O)cs1 ZINC001203552994 1030763143 /nfs/dbraw/zinc/76/31/43/1030763143.db2.gz XRXGKLDUSNUEBR-LJQANCHMSA-N 1 0 357.479 2.782 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)c1O ZINC001203593114 1030775225 /nfs/dbraw/zinc/77/52/25/1030775225.db2.gz JWSFZLUJTNBFLB-OPYAIIAOSA-N 1 0 372.465 2.858 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)c1O ZINC001203591588 1030776128 /nfs/dbraw/zinc/77/61/28/1030776128.db2.gz JYVZUGKKPAMHPS-MRXNPFEDSA-N 1 0 355.438 2.730 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c1O ZINC001203602947 1030780925 /nfs/dbraw/zinc/78/09/25/1030780925.db2.gz CWCOZMRYZFTGHY-OALUTQOASA-N 1 0 366.461 2.995 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c(O)c1 ZINC001203621708 1030789912 /nfs/dbraw/zinc/78/99/12/1030789912.db2.gz GZUFECOPAHKLTD-INIZCTEOSA-N 1 0 357.454 2.673 20 10 FFCDRO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c(O)c1 ZINC001203623828 1030791535 /nfs/dbraw/zinc/79/15/35/1030791535.db2.gz WYFNAVQCRWZLKU-QKYXUNIQSA-N 1 0 370.449 2.854 20 10 FFCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(Br)ccc3O)C2)N1 ZINC001203643266 1030801314 /nfs/dbraw/zinc/80/13/14/1030801314.db2.gz NDEXMQYGOGYCPX-MRXNPFEDSA-N 1 0 353.260 2.789 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001203648427 1030804902 /nfs/dbraw/zinc/80/49/02/1030804902.db2.gz LCUYTLFNRUHSFL-AWEZNQCLSA-N 1 0 364.243 2.988 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1 ZINC001203648278 1030806159 /nfs/dbraw/zinc/80/61/59/1030806159.db2.gz HYDPLDRPMHNELO-KGLIPLIRSA-N 1 0 356.850 2.506 20 10 FFCDRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC001203656114 1030808214 /nfs/dbraw/zinc/80/82/14/1030808214.db2.gz IFCSZNHRUXEJPM-YXJHDRRASA-N 1 0 364.873 2.647 20 10 FFCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cc(Cl)ccc4O)C[C@H]3C2)cn1 ZINC001203659080 1030812315 /nfs/dbraw/zinc/81/23/15/1030812315.db2.gz RFJMPCIZFXYPEQ-NVXWUHKLSA-N 1 0 360.889 2.733 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1 ZINC001203672718 1030815925 /nfs/dbraw/zinc/81/59/25/1030815925.db2.gz CBHFQQKGIUWHMO-KNQAVFIVSA-N 1 0 366.461 2.849 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c1 ZINC001203678956 1030823469 /nfs/dbraw/zinc/82/34/69/1030823469.db2.gz VTOGRYSPGKFYFW-UHFFFAOYSA-N 1 0 355.394 2.849 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c1 ZINC001203680445 1030824415 /nfs/dbraw/zinc/82/44/15/1030824415.db2.gz YBXCKZKPTJRJOH-UHFFFAOYSA-N 1 0 356.422 2.543 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1OC ZINC000842635207 1030859775 /nfs/dbraw/zinc/85/97/75/1030859775.db2.gz MBCWMSOLBXOUFC-INIZCTEOSA-N 1 0 370.449 2.548 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)c3cccc(F)c3)cc2)CC1 ZINC000843065819 1031168171 /nfs/dbraw/zinc/16/81/71/1031168171.db2.gz QJFJLZUFEFENII-NRFANRHFSA-N 1 0 358.457 2.858 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000843064859 1031169010 /nfs/dbraw/zinc/16/90/10/1031169010.db2.gz HJVKXMFKBZTWCD-QFIPXVFZSA-N 1 0 354.494 2.589 20 10 FFCDRO COCC[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204277763 1031204914 /nfs/dbraw/zinc/20/49/14/1031204914.db2.gz LEDYQFPAOGJKSW-OAHLLOKOSA-N 1 0 366.458 2.556 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001204336290 1031236175 /nfs/dbraw/zinc/23/61/75/1031236175.db2.gz LJLDGWMABRGYEN-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@H]2C1 ZINC001204340503 1031238506 /nfs/dbraw/zinc/23/85/06/1031238506.db2.gz UVGMIONSHXOVRM-BETUJISGSA-N 1 0 355.276 2.547 20 10 FFCDRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350665 1031342955 /nfs/dbraw/zinc/34/29/55/1031342955.db2.gz SGUBSMZZSUQILY-UZLBHIALSA-N 1 0 359.514 2.609 20 10 FFCDRO C[C@]1([NH3+])CCCN(Cc2ccc(I)cc2O)CC1 ZINC001205288559 1031651261 /nfs/dbraw/zinc/65/12/61/1031651261.db2.gz LLRPFFSFCRJNBD-AWEZNQCLSA-N 1 0 360.239 2.700 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCO)Cc3ccccc3)cc2)CC1 ZINC000799351241 1031743954 /nfs/dbraw/zinc/74/39/54/1031743954.db2.gz JVGDRXRXKPEGEX-NRFANRHFSA-N 1 0 353.510 2.522 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4nccnc4C)CC3)c2c1 ZINC000799572454 1031811535 /nfs/dbraw/zinc/81/15/35/1031811535.db2.gz DNKXVXZPCDIASC-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001219115916 1033520846 /nfs/dbraw/zinc/52/08/46/1033520846.db2.gz HQNCEAZRZAEJED-DHZHZOJOSA-N 1 0 350.466 2.814 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657850 1033728963 /nfs/dbraw/zinc/72/89/63/1033728963.db2.gz LVRSBAXZMAWDDZ-COXVUDFISA-N 1 0 367.440 2.761 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277025115 1034165590 /nfs/dbraw/zinc/16/55/90/1034165590.db2.gz BCTDTNAMQGTAMT-XOBRGWDASA-N 1 0 362.445 2.979 20 10 FFCDRO CCOC(=O)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339833 1034169904 /nfs/dbraw/zinc/16/99/04/1034169904.db2.gz LDBFLRANLGWQLI-UHFFFAOYSA-N 1 0 358.482 2.866 20 10 FFCDRO Oc1c(CN2CCO[C@H](C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138340681 1034170500 /nfs/dbraw/zinc/17/05/00/1034170500.db2.gz ZFGYWVKKTRISKX-HNNXBMFYSA-N 1 0 356.388 2.854 20 10 FFCDRO Oc1c(C[NH+]2CCC(n3cnnc3)CC2)cc2c3c1CCCN3CCC2 ZINC001138340247 1034170552 /nfs/dbraw/zinc/17/05/52/1034170552.db2.gz QOLFSEFXRHAJHN-UHFFFAOYSA-N 1 0 353.470 2.520 20 10 FFCDRO CC(C)(C)C(=O)N1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138342480 1034172818 /nfs/dbraw/zinc/17/28/18/1034172818.db2.gz RKGLAIRFMXFUPK-UHFFFAOYSA-N 1 0 371.525 2.781 20 10 FFCDRO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357853 1034194754 /nfs/dbraw/zinc/19/47/54/1034194754.db2.gz WSDYMJXNTQFIHG-GOSISDBHSA-N 1 0 354.498 2.934 20 10 FFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC001138496327 1034333985 /nfs/dbraw/zinc/33/39/85/1034333985.db2.gz NCVKULVNWVZPHE-TZIWHRDSSA-N 1 0 371.525 2.602 20 10 FFCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC001138499776 1034340269 /nfs/dbraw/zinc/34/02/69/1034340269.db2.gz ISDPROJJWDINQG-FQEVSTJZSA-N 1 0 369.465 2.580 20 10 FFCDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499708 1034340808 /nfs/dbraw/zinc/34/08/08/1034340808.db2.gz FNUWTKDMFBLOJZ-HXUWFJFHSA-N 1 0 368.481 2.665 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001138501264 1034343275 /nfs/dbraw/zinc/34/32/75/1034343275.db2.gz NFHZXUIKMHZZNH-MJGOQNOKSA-N 1 0 360.498 2.934 20 10 FFCDRO c1cc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC001138500323 1034343495 /nfs/dbraw/zinc/34/34/95/1034343495.db2.gz XFFODMVFJPYKBD-NRFANRHFSA-N 1 0 353.466 2.962 20 10 FFCDRO Brc1cc(CN2CC3(C2)CCOC3)ccc1N1CCOCC1 ZINC001138675587 1034535939 /nfs/dbraw/zinc/53/59/39/1034535939.db2.gz CDGZLIQEPFARIH-UHFFFAOYSA-N 1 0 367.287 2.508 20 10 FFCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676337 1034536156 /nfs/dbraw/zinc/53/61/56/1034536156.db2.gz FIXAJNITXRMKKQ-UKRRQHHQSA-N 1 0 369.303 2.631 20 10 FFCDRO COc1cccc([C@H](CNC(=O)NCc2cc(C)ccc2O)[NH+](C)C)c1 ZINC001221080092 1034538523 /nfs/dbraw/zinc/53/85/23/1034538523.db2.gz DMFQSKAHSIRGSD-SFHVURJKSA-N 1 0 357.454 2.811 20 10 FFCDRO COc1ccc(C(C)(C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265914 1034686709 /nfs/dbraw/zinc/68/67/09/1034686709.db2.gz BLNWDBODKGMDKB-LJQANCHMSA-N 1 0 355.482 2.855 20 10 FFCDRO COc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(OC(C)C)c1 ZINC000832285573 1034702630 /nfs/dbraw/zinc/70/26/30/1034702630.db2.gz RYFPPUAFFZYBLS-LJQANCHMSA-N 1 0 371.481 2.978 20 10 FFCDRO COc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000832293230 1034706729 /nfs/dbraw/zinc/70/67/29/1034706729.db2.gz RVQHBDDPXDSZRF-GOSISDBHSA-N 1 0 359.445 2.649 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000832292567 1034707414 /nfs/dbraw/zinc/70/74/14/1034707414.db2.gz JEBZKXJHZOJLHN-OAQYLSRUSA-N 1 0 351.494 2.990 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCc2nc3ccccc3[nH]2)cc1 ZINC000832300503 1034714098 /nfs/dbraw/zinc/71/40/98/1034714098.db2.gz XXOUTYKXBMXIHA-QGZVFWFLSA-N 1 0 365.481 2.768 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(N(C)C)cc1 ZINC001226646847 1034769731 /nfs/dbraw/zinc/76/97/31/1034769731.db2.gz IYCQSFCJHAYQGH-WBAXXEDZSA-N 1 0 362.543 2.693 20 10 FFCDRO COc1cc(CN(C)Cc2cnc3ccccn23)cc(C[NH+](C)C)c1O ZINC001139253992 1035030341 /nfs/dbraw/zinc/03/03/41/1035030341.db2.gz APDHQZMMIDTCRS-UHFFFAOYSA-N 1 0 354.454 2.742 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3[C@@H](CO)CCC[C@H]3C(F)(F)F)cc2)CC1 ZINC001139407907 1035092509 /nfs/dbraw/zinc/09/25/09/1035092509.db2.gz GBMLLARJEMZTQC-MSOLQXFVSA-N 1 0 371.447 2.716 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1=O ZINC001139671690 1035193918 /nfs/dbraw/zinc/19/39/18/1035193918.db2.gz NXTJQVHPISAVLO-NRFANRHFSA-N 1 0 359.514 2.522 20 10 FFCDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682301 1035197077 /nfs/dbraw/zinc/19/70/77/1035197077.db2.gz VTMTVBDQOJGZTN-YWZLYKJASA-N 1 0 366.452 2.851 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccnnc4)C3)C2)cc1 ZINC001139982246 1035297094 /nfs/dbraw/zinc/29/70/94/1035297094.db2.gz HMTPTIVUVPLTBJ-OAQYLSRUSA-N 1 0 368.481 2.604 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c1O ZINC001140181079 1035370590 /nfs/dbraw/zinc/37/05/90/1035370590.db2.gz QAABOGQCDQOUIX-QGZVFWFLSA-N 1 0 351.454 2.734 20 10 FFCDRO Oc1cccc2c1[C@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)CC2 ZINC000834578264 1035409142 /nfs/dbraw/zinc/40/91/42/1035409142.db2.gz IYTRSTUZPZAION-WOJBJXKFSA-N 1 0 352.478 2.913 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(c4ncccn4)CC3)cc2)CC1 ZINC001140285273 1035419124 /nfs/dbraw/zinc/41/91/24/1035419124.db2.gz GPPAGUNUYVBPIR-UHFFFAOYSA-N 1 0 352.482 2.817 20 10 FFCDRO OC1CCN(c2ccc(CN3CCO[C@@H](c4ccncc4)C3)cc2)CC1 ZINC001140288772 1035420098 /nfs/dbraw/zinc/42/00/98/1035420098.db2.gz ZRNKODNVYWGRQW-OAQYLSRUSA-N 1 0 353.466 2.616 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001140339845 1035443538 /nfs/dbraw/zinc/44/35/38/1035443538.db2.gz MLQAYOVFCKKJPP-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140340068 1035443748 /nfs/dbraw/zinc/44/37/48/1035443748.db2.gz QOMBJQRJOMGDAM-KUHUBIRLSA-N 1 0 366.889 2.656 20 10 FFCDRO CCOC1CC(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000835048331 1035493159 /nfs/dbraw/zinc/49/31/59/1035493159.db2.gz GVBCSUGAZPOQQT-WAYWQWQTSA-N 1 0 373.541 2.625 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC(F)F)C3=O)C2)c(O)c1 ZINC001277203970 1035523027 /nfs/dbraw/zinc/52/30/27/1035523027.db2.gz AXIKKDHJBVOFNA-IBGZPJMESA-N 1 0 366.408 2.615 20 10 FFCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(Cl)c(O)cc3O)O2)n1 ZINC001232257291 1035528650 /nfs/dbraw/zinc/52/86/50/1035528650.db2.gz BOWDERPGUCDGHP-DAXOMENPSA-N 1 0 365.817 2.937 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]21 ZINC001232263148 1035535528 /nfs/dbraw/zinc/53/55/28/1035535528.db2.gz HZAZMJVUZOEZGN-YPMHNXCESA-N 1 0 354.834 2.802 20 10 FFCDRO CCOCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277211771 1035566721 /nfs/dbraw/zinc/56/67/21/1035566721.db2.gz ACDVIIHMHPVGJQ-LJQANCHMSA-N 1 0 366.889 2.815 20 10 FFCDRO CCOCC[NH+](CCOCC)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232405570 1035653250 /nfs/dbraw/zinc/65/32/50/1035653250.db2.gz MWTXNZFTYIHHFB-UHFFFAOYSA-N 1 0 362.470 2.840 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC(n3cccn3)CC2)c2ccccc2n1C ZINC001232405393 1035654053 /nfs/dbraw/zinc/65/40/53/1035654053.db2.gz JWFYRJSWQMVUQN-UHFFFAOYSA-N 1 0 352.438 2.999 20 10 FFCDRO COC(=O)c1c(C[N@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c2ccccc2n1C ZINC001232404274 1035654261 /nfs/dbraw/zinc/65/42/61/1035654261.db2.gz QJIRHXRGRUYVGL-MRXNPFEDSA-N 1 0 371.481 2.796 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c2ccccc2n1C ZINC001232407694 1035655819 /nfs/dbraw/zinc/65/58/19/1035655819.db2.gz RVUHLUUKZRZZHL-UHFFFAOYSA-N 1 0 371.481 2.702 20 10 FFCDRO C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231861 1035671089 /nfs/dbraw/zinc/67/10/89/1035671089.db2.gz GSSFNRINMXZVDL-IBGZPJMESA-N 1 0 365.905 2.564 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c1 ZINC001140620746 1035745210 /nfs/dbraw/zinc/74/52/10/1035745210.db2.gz ZYFQXXLUFVORFX-SFHVURJKSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)c1 ZINC001140620051 1035745454 /nfs/dbraw/zinc/74/54/54/1035745454.db2.gz AOYRUWFRGOWEJY-LJQANCHMSA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c1 ZINC001140620186 1035746390 /nfs/dbraw/zinc/74/63/90/1035746390.db2.gz FSZCYKHWOQMOSS-HHXXYDBFSA-N 1 0 355.438 2.549 20 10 FFCDRO C[N@@H+]1CCC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)CC1 ZINC001228115890 1035940868 /nfs/dbraw/zinc/94/08/68/1035940868.db2.gz RNCAIDBGLKGRJA-OAHLLOKOSA-N 1 0 357.406 2.898 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001232835782 1036087114 /nfs/dbraw/zinc/08/71/14/1036087114.db2.gz HYHYJFCPUDKCBZ-SESVDKBCSA-N 1 0 369.465 2.664 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(O)c1 ZINC001232838078 1036093247 /nfs/dbraw/zinc/09/32/47/1036093247.db2.gz PERZIXUWTDQGKX-SFHVURJKSA-N 1 0 357.498 2.729 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c(O)c1 ZINC001232841317 1036098954 /nfs/dbraw/zinc/09/89/54/1036098954.db2.gz CBFRAJOQXHYDPM-UHFFFAOYSA-N 1 0 360.502 2.618 20 10 FFCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(I)cc2O)C1 ZINC001232978443 1036211439 /nfs/dbraw/zinc/21/14/39/1036211439.db2.gz HRHVWZKTNHPCFL-CYBMUJFWSA-N 1 0 360.239 2.523 20 10 FFCDRO CCC[NH+]1CCN(Cc2ccc(I)cc2O)CC1 ZINC001232978324 1036211648 /nfs/dbraw/zinc/21/16/48/1036211648.db2.gz DGDNYXUUCUPBOB-UHFFFAOYSA-N 1 0 360.239 2.524 20 10 FFCDRO CC[N@@H+]1CCN(Cc2ccc(I)cc2O)C(C)(C)C1 ZINC001232977716 1036211654 /nfs/dbraw/zinc/21/16/54/1036211654.db2.gz JTEKWEKEXNFUDB-UHFFFAOYSA-N 1 0 374.266 2.913 20 10 FFCDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(I)cc1O ZINC001232978397 1036211902 /nfs/dbraw/zinc/21/19/02/1036211902.db2.gz FNMSIGPOFIBBOM-ZDUSSCGKSA-N 1 0 360.239 2.523 20 10 FFCDRO CCCC[NH+]1CCN(Cc2ccc(I)cc2O)CC1 ZINC001232978510 1036212516 /nfs/dbraw/zinc/21/25/16/1036212516.db2.gz IQDJRLCYLWNAQC-UHFFFAOYSA-N 1 0 374.266 2.915 20 10 FFCDRO CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233016395 1036251970 /nfs/dbraw/zinc/25/19/70/1036251970.db2.gz VQJDGSRPLGQJKS-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(O)c1 ZINC001140852665 1036286706 /nfs/dbraw/zinc/28/67/06/1036286706.db2.gz WYEMHHUOKIQSBV-BGYRXZFFSA-N 1 0 359.514 2.533 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233137281 1036385679 /nfs/dbraw/zinc/38/56/79/1036385679.db2.gz ISORUWXKCMNALL-UHFFFAOYSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@H](n3cncn3)C2)cc1Br ZINC001233140479 1036387010 /nfs/dbraw/zinc/38/70/10/1036387010.db2.gz IVCXJIUIVCMKDB-GFCCVEGCSA-N 1 0 367.247 2.592 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC001233140787 1036388255 /nfs/dbraw/zinc/38/82/55/1036388255.db2.gz TZXGBCPEVSDSFG-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1Br ZINC001233141252 1036391554 /nfs/dbraw/zinc/39/15/54/1036391554.db2.gz HUGSEXMUXBFWQD-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233142364 1036392709 /nfs/dbraw/zinc/39/27/09/1036392709.db2.gz OKEQSSHAVCIUTA-OAHLLOKOSA-N 1 0 358.232 2.548 20 10 FFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)C1=O ZINC001233289108 1036495781 /nfs/dbraw/zinc/49/57/81/1036495781.db2.gz KDVNXCAQUKYBFQ-GOSISDBHSA-N 1 0 352.862 2.889 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(c3ncc(Br)cn3)CC2)c(O)c1 ZINC001140957512 1036567854 /nfs/dbraw/zinc/56/78/54/1036567854.db2.gz CBSUMKOTXPQORP-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C3)n1 ZINC001233453229 1036633116 /nfs/dbraw/zinc/63/31/16/1036633116.db2.gz ZXPPJKKHCNMXPV-CZUORRHYSA-N 1 0 369.343 2.502 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CC[C@H]21 ZINC001233483121 1036650921 /nfs/dbraw/zinc/65/09/21/1036650921.db2.gz OOLCSEIVJLCUHH-GXTWGEPZSA-N 1 0 364.442 2.635 20 10 FFCDRO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483038 1036652043 /nfs/dbraw/zinc/65/20/43/1036652043.db2.gz LYKWFNLEEASWED-CHWSQXEVSA-N 1 0 366.458 2.929 20 10 FFCDRO Oc1cc(O)c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1O ZINC001233485815 1036654132 /nfs/dbraw/zinc/65/41/32/1036654132.db2.gz LJUZRVJIRSHOLQ-NRFANRHFSA-N 1 0 354.450 2.901 20 10 FFCDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487783 1036655292 /nfs/dbraw/zinc/65/52/92/1036655292.db2.gz RYWVTVZXBMKTNP-UHFFFAOYSA-N 1 0 356.422 2.540 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCc2ccco2)[NH+](C)C)cc1 ZINC001233717981 1036730502 /nfs/dbraw/zinc/73/05/02/1036730502.db2.gz KLJYSQOWVDSBSV-LJQANCHMSA-N 1 0 358.486 2.880 20 10 FFCDRO COC[C@@H]1Cn2ccnc2CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233746236 1036741314 /nfs/dbraw/zinc/74/13/14/1036741314.db2.gz XLNGHKUUVYAQNV-LBPRGKRZSA-N 1 0 371.359 2.766 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001277833135 1036932061 /nfs/dbraw/zinc/93/20/61/1036932061.db2.gz AYKHIPRJLLCJQC-OAHLLOKOSA-N 1 0 368.424 2.693 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(NC(=O)N(C)C)CC3)c2c1 ZINC001234569465 1037092649 /nfs/dbraw/zinc/09/26/49/1037092649.db2.gz OBUUCXIQLAGQLG-UHFFFAOYSA-N 1 0 357.454 2.790 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4nccc(C)n4)CC3)c2c1 ZINC001234570029 1037092704 /nfs/dbraw/zinc/09/27/04/1037092704.db2.gz WEYONZDSAWZCKD-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001230310445 1037213994 /nfs/dbraw/zinc/21/39/94/1037213994.db2.gz QJGPRFALMMIOKP-HZPDHXFCSA-N 1 0 361.446 2.516 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001235002085 1037292274 /nfs/dbraw/zinc/29/22/74/1037292274.db2.gz WZUNCHANEXUYGO-OAHLLOKOSA-N 1 0 372.250 2.572 20 10 FFCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001235229130 1037424557 /nfs/dbraw/zinc/42/45/57/1037424557.db2.gz CNXAGOJLHYHEIK-GWCFXTLKSA-N 1 0 354.294 2.995 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c1O ZINC001231547954 1037672312 /nfs/dbraw/zinc/67/23/12/1037672312.db2.gz MSPZSTHNXZEGFU-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001231556665 1037679894 /nfs/dbraw/zinc/67/98/94/1037679894.db2.gz LJDMQLYYKZXXPV-MRXNPFEDSA-N 1 0 370.243 2.835 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC001231555975 1037680684 /nfs/dbraw/zinc/68/06/84/1037680684.db2.gz VXNXDCAHNGYOKJ-NSHDSACASA-N 1 0 367.247 2.592 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC001231586200 1037705191 /nfs/dbraw/zinc/70/51/91/1037705191.db2.gz DIWVXUTVZWPWFT-PZJWPPBQSA-N 1 0 354.450 2.757 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H](O)C1 ZINC001231586656 1037705601 /nfs/dbraw/zinc/70/56/01/1037705601.db2.gz KLMUJJWVXGNBKS-MRXNPFEDSA-N 1 0 372.465 2.959 20 10 FFCDRO Cc1cccc(C[N@H+]2CC[C@@H]3CN(CC(C)C)S(=O)(=O)[C@@H]3CC2)c1O ZINC001231591484 1037708368 /nfs/dbraw/zinc/70/83/68/1037708368.db2.gz DMQVEBNEPASYLU-SJLPKXTDSA-N 1 0 366.527 2.583 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)c1O ZINC001231592558 1037712087 /nfs/dbraw/zinc/71/20/87/1037712087.db2.gz ITOFEUFHNOQMGR-JENIJYKNSA-N 1 0 370.449 2.561 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c1O ZINC001231592352 1037712332 /nfs/dbraw/zinc/71/23/32/1037712332.db2.gz GRZUADLMAWCWGF-GOSISDBHSA-N 1 0 351.450 2.734 20 10 FFCDRO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(O)cc1O ZINC001231635392 1037753790 /nfs/dbraw/zinc/75/37/90/1037753790.db2.gz XWHFMNYDDUFMLW-CQSZACIVSA-N 1 0 360.429 2.952 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635721 1037756278 /nfs/dbraw/zinc/75/62/78/1037756278.db2.gz IYZUJWVVZZYSMM-CYBMUJFWSA-N 1 0 366.458 2.795 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)c(O)cc1O ZINC001231635746 1037758757 /nfs/dbraw/zinc/75/87/57/1037758757.db2.gz JPFVPGGLRXBGJX-UHFFFAOYSA-N 1 0 355.394 2.570 20 10 FFCDRO COc1cc(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)c(O)cc1O ZINC001231639700 1037762399 /nfs/dbraw/zinc/76/23/99/1037762399.db2.gz ZVYADEKCZMEXSF-UHFFFAOYSA-N 1 0 354.450 2.913 20 10 FFCDRO COc1cc(Br)cc(CN2CC[NH2+][C@@H](CC(C)C)C2)c1O ZINC001235877913 1037813620 /nfs/dbraw/zinc/81/36/20/1037813620.db2.gz CZVSOUZIUWFOMH-AWEZNQCLSA-N 1 0 357.292 2.983 20 10 FFCDRO COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1c(C)cc(C)cc1O ZINC001231845394 1037943574 /nfs/dbraw/zinc/94/35/74/1037943574.db2.gz YBQBHKLEOQDDFS-GOSISDBHSA-N 1 0 356.470 2.756 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001231851699 1037949149 /nfs/dbraw/zinc/94/91/49/1037949149.db2.gz MFXJSUJFKNWALF-VQFNDLOPSA-N 1 0 361.486 2.716 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)cc1Cl ZINC001231871232 1037968871 /nfs/dbraw/zinc/96/88/71/1037968871.db2.gz GKAYFMBBARKQKW-UONOGXRCSA-N 1 0 370.877 2.814 20 10 FFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc3ccccc3c1O)CCO2 ZINC001231881643 1037974598 /nfs/dbraw/zinc/97/45/98/1037974598.db2.gz YTDBNILDFAPPSY-NRFANRHFSA-N 1 0 354.450 2.759 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001231880903 1037975410 /nfs/dbraw/zinc/97/54/10/1037975410.db2.gz MWORHGXGYNMAST-DLBZAZTESA-N 1 0 358.438 2.615 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)cc1OC ZINC001236750897 1038235741 /nfs/dbraw/zinc/23/57/41/1038235741.db2.gz AGPGKTKUNUZMFS-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236750974 1038235781 /nfs/dbraw/zinc/23/57/81/1038235781.db2.gz NRGVHSIBTMSVRV-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)cc1OC ZINC001236755062 1038240391 /nfs/dbraw/zinc/24/03/91/1038240391.db2.gz YMSZNCLLWSVZOR-UHFFFAOYSA-N 1 0 362.401 2.987 20 10 FFCDRO Oc1cc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c(O)cc1Br ZINC001236761189 1038246445 /nfs/dbraw/zinc/24/64/45/1038246445.db2.gz CARLSMOQDWZLKQ-NSHDSACASA-N 1 0 360.223 2.953 20 10 FFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)c(Br)cc1O)C2 ZINC001236761180 1038247310 /nfs/dbraw/zinc/24/73/10/1038247310.db2.gz BUAOUQNFFAUYOC-NHCYSSNCSA-N 1 0 370.243 2.634 20 10 FFCDRO Oc1cc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c(O)cc1Br ZINC001236761188 1038247443 /nfs/dbraw/zinc/24/74/43/1038247443.db2.gz CARLSMOQDWZLKQ-LLVKDONJSA-N 1 0 360.223 2.953 20 10 FFCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(O)c(Br)cc3O)C2)n1 ZINC001236762681 1038250500 /nfs/dbraw/zinc/25/05/00/1038250500.db2.gz QBYPMVKTMIHVEX-SECBINFHSA-N 1 0 354.204 2.541 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001236809107 1038283373 /nfs/dbraw/zinc/28/33/73/1038283373.db2.gz SZZGRRUAQKADEO-HUUCEWRRSA-N 1 0 351.340 2.937 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)c(O)c1 ZINC001236809339 1038284267 /nfs/dbraw/zinc/28/42/67/1038284267.db2.gz QWZIUJUHJZYDQK-QKNQBKEWSA-N 1 0 370.449 2.520 20 10 FFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236927361 1038360719 /nfs/dbraw/zinc/36/07/19/1038360719.db2.gz PTQIJTQKFHOXMK-HNNXBMFYSA-N 1 0 352.862 2.562 20 10 FFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001236932231 1038364101 /nfs/dbraw/zinc/36/41/01/1038364101.db2.gz WJUGMBMYCCBHCW-QGZVFWFLSA-N 1 0 374.872 2.620 20 10 FFCDRO COc1cc(N2CCC([NH2+]Cc3cccc(O)c3O)CC2)ccc1[N+](=O)[O-] ZINC001256088072 1038373144 /nfs/dbraw/zinc/37/31/44/1038373144.db2.gz ALLRIRDZGRVYJP-UHFFFAOYSA-N 1 0 373.409 2.773 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001237040168 1038416907 /nfs/dbraw/zinc/41/69/07/1038416907.db2.gz FHRBWDUDMSNLCD-SIKLNZKXSA-N 1 0 366.461 2.897 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c(O)c1 ZINC001237042129 1038418874 /nfs/dbraw/zinc/41/88/74/1038418874.db2.gz WTXSFMNCNIHTSL-LPHOPBHVSA-N 1 0 352.434 2.886 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001237048587 1038423060 /nfs/dbraw/zinc/42/30/60/1038423060.db2.gz LEXPAEJNGVTHMX-GUDVDZBRSA-N 1 0 358.482 2.631 20 10 FFCDRO CC(=O)N1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237055562 1038425376 /nfs/dbraw/zinc/42/53/76/1038425376.db2.gz GACMFJPSWMYMDU-UHFFFAOYSA-N 1 0 360.376 2.776 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001237054006 1038425529 /nfs/dbraw/zinc/42/55/29/1038425529.db2.gz SLZHCGGWUXQXPA-YPMHNXCESA-N 1 0 353.287 2.799 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)c(O)c1 ZINC001237056307 1038426861 /nfs/dbraw/zinc/42/68/61/1038426861.db2.gz WZDRSCAEKBBZKM-UHFFFAOYSA-N 1 0 366.527 2.906 20 10 FFCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@H]21 ZINC001237056529 1038427166 /nfs/dbraw/zinc/42/71/66/1038427166.db2.gz VFSBHRGPBJXNRF-FOLVSLTJSA-N 1 0 372.387 2.536 20 10 FFCDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC001237061246 1038428214 /nfs/dbraw/zinc/42/82/14/1038428214.db2.gz ZULZYELYQZXIQH-LBPRGKRZSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](C4CCN(C)CC4)C3)C2)cc1 ZINC001256202876 1038429495 /nfs/dbraw/zinc/42/94/95/1038429495.db2.gz ANXRGHVERHDALE-JOCHJYFZSA-N 1 0 373.541 2.708 20 10 FFCDRO COc1cc(O)c(CN2CCC([NH+]3CCC3)CC2)c(Br)c1 ZINC001237067112 1038431289 /nfs/dbraw/zinc/43/12/89/1038431289.db2.gz GAZQGUUIXRVDPF-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO C[C@H]1c2cccn2CCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256232075 1038441680 /nfs/dbraw/zinc/44/16/80/1038441680.db2.gz JLBYIEFERNOLEX-JXFKEZNVSA-N 1 0 369.513 2.943 20 10 FFCDRO Cc1ccnc(N2CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)n1 ZINC001237141928 1038453964 /nfs/dbraw/zinc/45/39/64/1038453964.db2.gz GOOLARHZZSOXRE-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720473806 1038555485 /nfs/dbraw/zinc/55/54/85/1038555485.db2.gz HPHHYKQSVKUDJQ-KBPBESRZSA-N 1 0 357.317 2.824 20 10 FFCDRO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276676080 1039310224 /nfs/dbraw/zinc/31/02/24/1039310224.db2.gz STDMPNWFFVSGFF-HNNXBMFYSA-N 1 0 354.450 2.757 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1O ZINC001276683643 1039528766 /nfs/dbraw/zinc/52/87/66/1039528766.db2.gz OKCMOVHCEUDYJU-AWEZNQCLSA-N 1 0 356.388 2.981 20 10 FFCDRO CC(=O)[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001276683882 1039540735 /nfs/dbraw/zinc/54/07/35/1039540735.db2.gz RJHAWAZOSBFQTR-INIZCTEOSA-N 1 0 358.482 2.883 20 10 FFCDRO COc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001252900546 1039770298 /nfs/dbraw/zinc/77/02/98/1039770298.db2.gz NOXQTYWADQSBLV-IBGZPJMESA-N 1 0 356.466 2.825 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CCCN3C(=O)C[NH3+])n2)cc1 ZINC001249065355 1040566250 /nfs/dbraw/zinc/56/62/50/1040566250.db2.gz HEVKVUHOQYADPX-KRWDZBQOSA-N 1 0 365.437 2.766 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(O)c1 ZINC001249735276 1040968967 /nfs/dbraw/zinc/96/89/67/1040968967.db2.gz HXAAHNYNCAWYAH-MRXNPFEDSA-N 1 0 363.454 2.915 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)cc1 ZINC001254921648 1041049222 /nfs/dbraw/zinc/04/92/22/1041049222.db2.gz DYMUYQINFYWTPK-QZTJIDSGSA-N 1 0 371.525 2.555 20 10 FFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)c(Br)cc3O)C[C@@H]21 ZINC001250132976 1041124026 /nfs/dbraw/zinc/12/40/26/1041124026.db2.gz GGKZWKXWCMPMLO-JYAVWHMHSA-N 1 0 354.244 2.704 20 10 FFCDRO CCn1ccnc1CN1CCC2(C[NH+](Cc3ccc(Cl)cc3O)C2)C1 ZINC001278558735 1041153770 /nfs/dbraw/zinc/15/37/70/1041153770.db2.gz ZCRJTNRSBWEHQO-UHFFFAOYSA-N 1 0 360.889 2.970 20 10 FFCDRO Cn1nccc1[C@H](O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261762499 1041404635 /nfs/dbraw/zinc/40/46/35/1041404635.db2.gz VHVBBZUCFAOXHD-OAQYLSRUSA-N 1 0 354.498 2.966 20 10 FFCDRO COCC1(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001214599894 1041499567 /nfs/dbraw/zinc/49/95/67/1041499567.db2.gz LQVNOJBTTSZHHJ-SJLPKXTDSA-N 1 0 360.498 2.757 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc3c2OCO3)[NH+](C)C)cc1 ZINC001216665889 1042089810 /nfs/dbraw/zinc/08/98/10/1042089810.db2.gz OLZSRZVENYZOGZ-QGZVFWFLSA-N 1 0 370.453 2.906 20 10 FFCDRO c1n[nH]cc1CN1C[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC001279231723 1042956800 /nfs/dbraw/zinc/95/68/00/1042956800.db2.gz UVFMIEHMKQHIBH-PZJWPPBQSA-N 1 0 351.498 2.716 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2ccc[nH]2)c1O ZINC001279290265 1042985774 /nfs/dbraw/zinc/98/57/74/1042985774.db2.gz JVIOJMQHYBHJRW-KDURUIRLSA-N 1 0 353.466 2.837 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Nc2cccnc2)c1O ZINC001279290802 1042986231 /nfs/dbraw/zinc/98/62/31/1042986231.db2.gz UFVBQAQKASFGKJ-HDICACEKSA-N 1 0 352.438 2.976 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1O ZINC001279312302 1042995287 /nfs/dbraw/zinc/99/52/87/1042995287.db2.gz HWIUVNUUGGCMHP-HOCLYGCPSA-N 1 0 374.403 2.634 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C)cc2O)CCC1 ZINC001279337479 1043010105 /nfs/dbraw/zinc/01/01/05/1043010105.db2.gz ATYWFBNVZMEIBS-HDICACEKSA-N 1 0 358.482 2.835 20 10 FFCDRO Cc1cc(CN2CC3(C2)CC[NH+](Cc2ccc(C)cc2O)CC3)n(C)n1 ZINC001279338012 1043010764 /nfs/dbraw/zinc/01/07/64/1043010764.db2.gz FWZBUWHRMHWEQU-UHFFFAOYSA-N 1 0 354.498 2.841 20 10 FFCDRO [O-]c1c(Cl)cccc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001279441903 1043117562 /nfs/dbraw/zinc/11/75/62/1043117562.db2.gz IWTZGDIMZRMZMU-UHFFFAOYSA-N 1 0 360.889 2.840 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(CCN3CCn3ccnc3)C2)c1 ZINC001279475620 1043158237 /nfs/dbraw/zinc/15/82/37/1043158237.db2.gz YCJSPKPUFRPXOV-UHFFFAOYSA-N 1 0 354.498 2.847 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)N1CCCC1)CCO2 ZINC001237485968 1043197801 /nfs/dbraw/zinc/19/78/01/1043197801.db2.gz MRZHTAUYADXRDW-LAUBAEHRSA-N 1 0 373.497 2.630 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@H+](Cc4c(C)cccc4O)CCN3C2)n1 ZINC001237486105 1043197815 /nfs/dbraw/zinc/19/78/15/1043197815.db2.gz NWVTZMJFNIJOMX-WOJBJXKFSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001237487972 1043202947 /nfs/dbraw/zinc/20/29/47/1043202947.db2.gz HFEKZAUYYXBYBU-KRWDZBQOSA-N 1 0 351.450 2.734 20 10 FFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001279521229 1043220210 /nfs/dbraw/zinc/22/02/10/1043220210.db2.gz LCSMUNGPOYUBGO-INIZCTEOSA-N 1 0 360.376 2.587 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237648338 1043290465 /nfs/dbraw/zinc/29/04/65/1043290465.db2.gz ZPYACDFSEWWLHL-UHFFFAOYSA-N 1 0 372.440 2.925 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c(O)c(OC)c1 ZINC001237670741 1043301266 /nfs/dbraw/zinc/30/12/66/1043301266.db2.gz WOGBXBKPUJZUIF-UHFFFAOYSA-N 1 0 368.433 2.895 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(O)c(OC)c1 ZINC001237673672 1043303935 /nfs/dbraw/zinc/30/39/35/1043303935.db2.gz MDXSQRNCEUTSRQ-FQEVSTJZSA-N 1 0 354.406 2.505 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676883 1043305067 /nfs/dbraw/zinc/30/50/67/1043305067.db2.gz SDIYKRRIKCUMAY-CYBMUJFWSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237677619 1043305497 /nfs/dbraw/zinc/30/54/97/1043305497.db2.gz FUDJZPXTPBWIHN-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(Br)c(C)cc3O)C[C@@H]2C1 ZINC001237682767 1043309855 /nfs/dbraw/zinc/30/98/55/1043309855.db2.gz FBRUINLFLLJMTH-WMLDXEAASA-N 1 0 369.303 2.616 20 10 FFCDRO Oc1c(I)cccc1CN1CC[NH+](C2CCC2)CC1 ZINC001237775317 1043351785 /nfs/dbraw/zinc/35/17/85/1043351785.db2.gz FFWOKTTYDSAJAD-UHFFFAOYSA-N 1 0 372.250 2.667 20 10 FFCDRO [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001237788072 1043358697 /nfs/dbraw/zinc/35/86/97/1043358697.db2.gz VPCIJSHUARCBDT-RISCZKNCSA-N 1 0 373.234 2.998 20 10 FFCDRO [O-]c1c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)ccc(F)c1F ZINC001279697148 1043487048 /nfs/dbraw/zinc/48/70/48/1043487048.db2.gz IYJWPIRYPDIUSC-UHFFFAOYSA-N 1 0 362.424 2.882 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001279697671 1043488936 /nfs/dbraw/zinc/48/89/36/1043488936.db2.gz QOZTVQXUZPNCOW-LJQANCHMSA-N 1 0 353.457 2.520 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001238187444 1043600131 /nfs/dbraw/zinc/60/01/31/1043600131.db2.gz MHGFLPDTLPIHKG-FVGNFYTDSA-N 1 0 373.482 2.808 20 10 FFCDRO O=C(NCc1c(O)cccc1F)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311561975 1043938201 /nfs/dbraw/zinc/93/82/01/1043938201.db2.gz BLADCHBIACQAJH-INIZCTEOSA-N 1 0 357.429 2.995 20 10 FFCDRO O=C(NCC1COC1)[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279968196 1044001467 /nfs/dbraw/zinc/00/14/67/1044001467.db2.gz HQIBUWXMSNRARH-QGZVFWFLSA-N 1 0 358.482 2.537 20 10 FFCDRO O=C(NCc1c(F)cccc1F)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279967973 1044002067 /nfs/dbraw/zinc/00/20/67/1044002067.db2.gz CWHANBKZJRONGZ-HNNXBMFYSA-N 1 0 358.388 2.809 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CC(F)(C2CC2)C1 ZINC001279970959 1044008255 /nfs/dbraw/zinc/00/82/55/1044008255.db2.gz KHSBUQYOVYLOOV-KRWDZBQOSA-N 1 0 358.457 2.955 20 10 FFCDRO COc1cccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)c1O ZINC001279977445 1044022618 /nfs/dbraw/zinc/02/26/18/1044022618.db2.gz MHKDGCYSAJFCDN-CQSZACIVSA-N 1 0 364.511 2.623 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)c(O)c1 ZINC001279980824 1044027976 /nfs/dbraw/zinc/02/79/76/1044027976.db2.gz QQVMJEMEMUHRBM-QGZVFWFLSA-N 1 0 360.454 2.557 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CCCC23CC3)c1O ZINC001279982376 1044032606 /nfs/dbraw/zinc/03/26/06/1044032606.db2.gz YPIMHHCFBQJHJM-IERDGZPVSA-N 1 0 356.466 2.910 20 10 FFCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)cc(C)c2O)n(C)n1 ZINC001280028287 1044104332 /nfs/dbraw/zinc/10/43/32/1044104332.db2.gz RFXUKLSWMCSQMR-OALUTQOASA-N 1 0 358.461 2.730 20 10 FFCDRO O=C([C@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2)N1CC=CC1 ZINC001280100057 1044207255 /nfs/dbraw/zinc/20/72/55/1044207255.db2.gz VBQHZRYQNPUFHV-INIZCTEOSA-N 1 0 356.466 2.879 20 10 FFCDRO C[C@@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001313212961 1044276399 /nfs/dbraw/zinc/27/63/99/1044276399.db2.gz WGKPGXDVFFLSSD-OAHLLOKOSA-N 1 0 366.456 2.768 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@]2(C)CCO[C@H]2C2CC2)[NH+](C)C)cc1 ZINC001313420054 1044352337 /nfs/dbraw/zinc/35/23/37/1044352337.db2.gz WKXUNCFWNQCXSE-IRFCIJBXSA-N 1 0 374.529 2.612 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2F)CC1 ZINC001319828760 1045281510 /nfs/dbraw/zinc/28/15/10/1045281510.db2.gz MHPWDPCMYOERJY-HXUWFJFHSA-N 1 0 374.548 2.741 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)cc2F)CC1 ZINC001319961631 1045313607 /nfs/dbraw/zinc/31/36/07/1045313607.db2.gz CXUIVLUVWARHLM-IBGZPJMESA-N 1 0 361.505 2.826 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H](O)CCc3ccccc3)cc2F)CC1 ZINC001320047057 1045337135 /nfs/dbraw/zinc/33/71/35/1045337135.db2.gz PCPPENKUMSILFC-HXUWFJFHSA-N 1 0 371.500 2.661 20 10 FFCDRO CC(C)[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccnn1C ZINC001320780256 1045467016 /nfs/dbraw/zinc/46/70/16/1045467016.db2.gz YAFDNCVHANRGDD-SFHVURJKSA-N 1 0 373.520 2.840 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(OCC(F)(F)F)n1)OCO2 ZINC001322214095 1045998234 /nfs/dbraw/zinc/99/82/34/1045998234.db2.gz SOTLADOMQWSJHK-UHFFFAOYSA-N 1 0 356.300 2.747 20 10 FFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001324758868 1046210286 /nfs/dbraw/zinc/21/02/86/1046210286.db2.gz MFCZFWCTEHSHJE-NRFANRHFSA-N 1 0 357.473 2.709 20 10 FFCDRO O=C1OCCN1CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000728300995 1046369295 /nfs/dbraw/zinc/36/92/95/1046369295.db2.gz GZOJKXODNOHVBL-UHFFFAOYSA-N 1 0 362.430 2.517 20 10 FFCDRO CCOc1ccc(N2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)cc1 ZINC001323178504 1046374048 /nfs/dbraw/zinc/37/40/48/1046374048.db2.gz WTBWZRNISDOCEL-UHFFFAOYSA-N 1 0 359.514 2.854 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000730806037 1047203081 /nfs/dbraw/zinc/20/30/81/1047203081.db2.gz GQQIINVZYWIHJH-IQIBNGDESA-N 1 0 359.426 2.846 20 10 FFCDRO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)Cc3cccnc3N2C1 ZINC001331303893 1047852449 /nfs/dbraw/zinc/85/24/49/1047852449.db2.gz ZDTARPQLZXHSON-LEWJYISDSA-N 1 0 364.493 2.637 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3NCCc4ccccc43)cc2F)CC1 ZINC001327416514 1047887193 /nfs/dbraw/zinc/88/71/93/1047887193.db2.gz TZZBTGCKNXNKRR-OAQYLSRUSA-N 1 0 368.500 2.554 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cc2F)CC1 ZINC001331397779 1047914143 /nfs/dbraw/zinc/91/41/43/1047914143.db2.gz FLLARMMAIKDCNV-DENIHFKCSA-N 1 0 369.484 2.885 20 10 FFCDRO C[NH2+][C@@H](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001327487589 1047919262 /nfs/dbraw/zinc/91/92/62/1047919262.db2.gz SPWLLYVFOPUGGU-UONOGXRCSA-N 1 0 370.444 2.554 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CCC[N@H+](CC4CC4)C3)ccc21 ZINC001327700754 1048002678 /nfs/dbraw/zinc/00/26/78/1048002678.db2.gz UGRKFMFBVMSRMB-LJQANCHMSA-N 1 0 370.541 2.990 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CC1(O)CCC1 ZINC001328833300 1048483276 /nfs/dbraw/zinc/48/32/76/1048483276.db2.gz CRRJQHQNMOCILD-AWEZNQCLSA-N 1 0 358.276 2.643 20 10 FFCDRO COc1ccccc1C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC001329297049 1048658529 /nfs/dbraw/zinc/65/85/29/1048658529.db2.gz AZPVLOOUTOOECY-LJQANCHMSA-N 1 0 367.493 2.999 20 10 FFCDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001329730081 1048876746 /nfs/dbraw/zinc/87/67/46/1048876746.db2.gz DREPTGHSQGEWSK-CHWSQXEVSA-N 1 0 355.429 2.987 20 10 FFCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 ZINC001333873574 1049153319 /nfs/dbraw/zinc/15/33/19/1049153319.db2.gz KSXFWUPCKIEBEO-UTKZUKDTSA-N 1 0 371.477 2.858 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC001330661859 1049257517 /nfs/dbraw/zinc/25/75/17/1049257517.db2.gz QADQVBLFJOBRBE-FQEVSTJZSA-N 1 0 360.498 2.793 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001292594163 1049365903 /nfs/dbraw/zinc/36/59/03/1049365903.db2.gz PRJZJSLBJVDGTC-LPHOPBHVSA-N 1 0 359.514 2.901 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(N)c3Cl)cc2)CC1 ZINC001330960542 1049412800 /nfs/dbraw/zinc/41/28/00/1049412800.db2.gz HYIDFGWHUBVTRH-UHFFFAOYSA-N 1 0 372.900 2.533 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC=CO1 ZINC001294860724 1049822940 /nfs/dbraw/zinc/82/29/40/1049822940.db2.gz XKAHOHGTWUSMSM-DOTOQJQBSA-N 1 0 350.846 2.819 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000742411017 1049889978 /nfs/dbraw/zinc/88/99/78/1049889978.db2.gz HUZNJDZFIDTHGK-XUDQMGBKSA-N 1 0 361.442 2.948 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]c4cccc(F)c34)cc2)CC1 ZINC001303085061 1051273523 /nfs/dbraw/zinc/27/35/23/1051273523.db2.gz LRDDYHDORTUOAS-UHFFFAOYSA-N 1 0 366.440 2.989 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340945427 1051276913 /nfs/dbraw/zinc/27/69/13/1051276913.db2.gz RQWSZIYRADTHMX-JTSKRJEESA-N 1 0 368.477 2.987 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)[C@H](CC)CN1C(C)=O ZINC001342865017 1051473374 /nfs/dbraw/zinc/47/33/74/1051473374.db2.gz WODDRXJQHKIGIK-HZPDHXFCSA-N 1 0 350.459 2.631 20 10 FFCDRO C[C@@H]1CC(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC001343038601 1051654445 /nfs/dbraw/zinc/65/44/45/1051654445.db2.gz GNTJWFPMTZBUIH-SPYBWZPUSA-N 1 0 362.518 2.611 20 10 FFCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001343927565 1052493474 /nfs/dbraw/zinc/49/34/74/1052493474.db2.gz PCNWSWZWYGWQJX-SFHVURJKSA-N 1 0 371.504 2.691 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001336000296 1053698472 /nfs/dbraw/zinc/69/84/72/1053698472.db2.gz AXNMIQHOWHKVLC-KXBFYZLASA-N 1 0 357.410 2.505 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)cc1 ZINC001336744298 1054186606 /nfs/dbraw/zinc/18/66/06/1054186606.db2.gz IJZKNBLRJFLNSD-UHFFFAOYSA-N 1 0 366.509 2.955 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)cc1 ZINC001543359157 1071458429 /nfs/dbraw/zinc/45/84/29/1071458429.db2.gz WEIKYXXMFSZERS-FQEVSTJZSA-N 1 0 359.514 2.854 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC001349074827 1055078220 /nfs/dbraw/zinc/07/82/20/1055078220.db2.gz HLFWHHBWRYAFBS-AZUAARDMSA-N 1 0 359.514 2.792 20 10 FFCDRO CC(C)n1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001352052315 1055156670 /nfs/dbraw/zinc/15/66/70/1055156670.db2.gz KCECQDQRDPILJG-IBGZPJMESA-N 1 0 372.517 2.632 20 10 FFCDRO CCc1cccc(C[NH+]2CCC(CC(=O)N3CCN(CC)CC3)CC2)c1O ZINC000848885682 1055303199 /nfs/dbraw/zinc/30/31/99/1055303199.db2.gz MBSXEAVCZGYKPY-UHFFFAOYSA-N 1 0 373.541 2.721 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CCNc3ccccc32)cc1 ZINC001338368200 1055451520 /nfs/dbraw/zinc/45/15/20/1055451520.db2.gz FKHKIHCOHCLRJG-LPHOPBHVSA-N 1 0 352.482 2.858 20 10 FFCDRO CCCCCCNC(=[NH2+])NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000849070452 1055628315 /nfs/dbraw/zinc/62/83/15/1055628315.db2.gz NFYNMRXYTUOKIA-KRWDZBQOSA-N 1 0 359.518 2.583 20 10 FFCDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000849084777 1055633265 /nfs/dbraw/zinc/63/32/65/1055633265.db2.gz LPMOXHBDJCYRPM-UHFFFAOYSA-N 1 0 350.466 2.928 20 10 FFCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC001357873548 1056049286 /nfs/dbraw/zinc/04/92/86/1056049286.db2.gz MRLJWXYRUYEKJR-FQEVSTJZSA-N 1 0 359.514 2.562 20 10 FFCDRO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c(O)c1O ZINC001451879447 1059159829 /nfs/dbraw/zinc/15/98/29/1059159829.db2.gz SRQHZUPKQXETMG-AEFFLSMTSA-N 1 0 352.434 2.753 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C2CC2)cc1 ZINC001519930513 1059210334 /nfs/dbraw/zinc/21/03/34/1059210334.db2.gz KETGEPYQFFKQQE-VDGAXYAQSA-N 1 0 356.514 2.767 20 10 FFCDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001354870940 1059586094 /nfs/dbraw/zinc/58/60/94/1059586094.db2.gz DEGLGVQAIUUIRX-KRWDZBQOSA-N 1 0 351.410 2.861 20 10 FFCDRO Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000848306946 1059686946 /nfs/dbraw/zinc/68/69/46/1059686946.db2.gz AOBIOUWRTARLOJ-ZWKOTPCHSA-N 1 0 373.884 2.639 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@H](C)CCO1 ZINC001354993198 1059745064 /nfs/dbraw/zinc/74/50/64/1059745064.db2.gz XAHZBEZBNCBQJZ-GPMSIDNRSA-N 1 0 362.518 2.564 20 10 FFCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000848560273 1060276278 /nfs/dbraw/zinc/27/62/78/1060276278.db2.gz CEPCIITZDRJHAV-LJQANCHMSA-N 1 0 369.440 2.705 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4[nH]c(Cl)cc43)cc2)CC1 ZINC001458561961 1060624122 /nfs/dbraw/zinc/62/41/22/1060624122.db2.gz KMQHGRIUIXKIQA-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(C(N)=O)c3)cc2F)C[C@H](C)O1 ZINC001461068606 1061202290 /nfs/dbraw/zinc/20/22/90/1061202290.db2.gz WUUYVFJJLVXQLG-GASCZTMLSA-N 1 0 371.456 2.828 20 10 FFCDRO C[NH+](C)CCn1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000763447702 1061256932 /nfs/dbraw/zinc/25/69/32/1061256932.db2.gz MUHGZJVMUTXKFB-UHFFFAOYSA-N 1 0 372.473 2.955 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)c(O)c1OC ZINC001462064599 1061492900 /nfs/dbraw/zinc/49/29/00/1061492900.db2.gz QDDOGIDHILBSEK-CQSZACIVSA-N 1 0 364.829 2.769 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c(O)c1OC ZINC001462578339 1061679859 /nfs/dbraw/zinc/67/98/59/1061679859.db2.gz GQNSUQVCSUZKFM-LAUBAEHRSA-N 1 0 355.434 2.809 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC001462594833 1061684459 /nfs/dbraw/zinc/68/44/59/1061684459.db2.gz UWDMQYSRNNAHTQ-QFBILLFUSA-N 1 0 362.376 2.741 20 10 FFCDRO CC(C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O ZINC001360107050 1061893145 /nfs/dbraw/zinc/89/31/45/1061893145.db2.gz AENPWQJPZHVZPF-UHFFFAOYSA-N 1 0 368.485 2.955 20 10 FFCDRO O=C(NC/C=C/Cl)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001478230296 1061948076 /nfs/dbraw/zinc/94/80/76/1061948076.db2.gz IEFJJKZOUADHPV-UNXLUWIOSA-N 1 0 362.905 2.770 20 10 FFCDRO CN(C)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001463278798 1062029283 /nfs/dbraw/zinc/02/92/83/1062029283.db2.gz GZYJCCMUKQYPBG-HXUWFJFHSA-N 1 0 354.498 2.851 20 10 FFCDRO CC[N@H+](CCO)CCNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001479099822 1062225296 /nfs/dbraw/zinc/22/52/96/1062225296.db2.gz PPPUCLMYVVKEON-UHFFFAOYSA-N 1 0 372.513 2.516 20 10 FFCDRO COc1cc(C)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001438900025 1063067767 /nfs/dbraw/zinc/06/77/67/1063067767.db2.gz JZPYBZRSEQAMQV-UHFFFAOYSA-N 1 0 367.493 2.994 20 10 FFCDRO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495058331 1063434262 /nfs/dbraw/zinc/43/42/62/1063434262.db2.gz FJFQHHGWTOQJFV-CEXWTWQISA-N 1 0 370.497 2.525 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001496118412 1063589352 /nfs/dbraw/zinc/58/93/52/1063589352.db2.gz DWZYGEIECAUDOV-CVAIRZPRSA-N 1 0 360.498 2.755 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(O)cccc3OC)c2)CC1 ZINC001467305142 1063703068 /nfs/dbraw/zinc/70/30/68/1063703068.db2.gz GNRWHJZDCQLNMP-UHFFFAOYSA-N 1 0 355.438 2.795 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C3CCC3)cc2)CC1 ZINC001470598073 1064374730 /nfs/dbraw/zinc/37/47/30/1064374730.db2.gz YHTCGSXVOKANKO-ICSRJNTNSA-N 1 0 356.514 2.674 20 10 FFCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471192445 1064596992 /nfs/dbraw/zinc/59/69/92/1064596992.db2.gz YYAJHCYGPWZXQT-DJABAAGCSA-N 1 0 356.514 2.530 20 10 FFCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001471518490 1064705262 /nfs/dbraw/zinc/70/52/62/1064705262.db2.gz AOXBIXODLXEKJP-HXUWFJFHSA-N 1 0 353.466 2.660 20 10 FFCDRO C[C@H]1CCc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn2C1 ZINC001472280516 1064998642 /nfs/dbraw/zinc/99/86/42/1064998642.db2.gz FOZMJIVWNQGBOZ-KXBFYZLASA-N 1 0 369.513 2.564 20 10 FFCDRO CN(C)c1ccc(C[N@@H+](C[C@@H](O)CN(C)CC(F)(F)F)C2CC2)cc1 ZINC001473115972 1065203133 /nfs/dbraw/zinc/20/31/33/1065203133.db2.gz UIAOUYHGBGNSJH-KRWDZBQOSA-N 1 0 359.436 2.572 20 10 FFCDRO CN(OCC(F)(F)F)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001474295660 1065486251 /nfs/dbraw/zinc/48/62/51/1065486251.db2.gz DCQPITDTYJPICU-UHFFFAOYSA-N 1 0 359.392 2.719 20 10 FFCDRO C[NH+]1CCN(c2ccc(CC[NH2+]Cc3cc(F)cc(F)c3[O-])cc2)CC1 ZINC001474305988 1065489875 /nfs/dbraw/zinc/48/98/75/1065489875.db2.gz WAQHAJAMTVLYMM-UHFFFAOYSA-N 1 0 361.436 2.755 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(O)c1 ZINC001474389011 1065509943 /nfs/dbraw/zinc/50/99/43/1065509943.db2.gz CXUQETZEZSFYCQ-KRWDZBQOSA-N 1 0 352.500 2.527 20 10 FFCDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562966263 1074801448 /nfs/dbraw/zinc/80/14/48/1074801448.db2.gz RQYLKAFZUCWVNC-HUUCEWRRSA-N 1 0 364.453 2.953 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)cc1 ZINC001584361486 1079344936 /nfs/dbraw/zinc/34/49/36/1079344936.db2.gz WSDWFTNAMOIRPA-FQEVSTJZSA-N 1 0 359.514 2.901 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(C)(C)C[NH+]2CCOCC2)cc1F ZINC001585698169 1079489428 /nfs/dbraw/zinc/48/94/28/1079489428.db2.gz IJBZTFANAFCEIN-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[NH+](C)C)cc1 ZINC001558723410 1076063375 /nfs/dbraw/zinc/06/33/75/1076063375.db2.gz ODFDGZCXXXHJNL-SFHVURJKSA-N 1 0 374.416 2.833 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3c[nH]ccc-3n2)[NH+](C)C)cc1 ZINC001558723527 1076063480 /nfs/dbraw/zinc/06/34/80/1076063480.db2.gz QJTDQCQNHNGALK-LJQANCHMSA-N 1 0 351.454 2.662 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)[C@]13C[C@H]1CCCC3)cc2=O ZINC001560064636 1076219918 /nfs/dbraw/zinc/21/99/18/1076219918.db2.gz PWXVVHCIBONTPA-VPZZIHKRSA-N 1 0 358.442 2.670 20 10 FFCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCOC1 ZINC001560422508 1076272568 /nfs/dbraw/zinc/27/25/68/1076272568.db2.gz SNPBAFZMAJLFAR-RTWAWAEBSA-N 1 0 352.478 2.736 20 10 FFCDRO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC001571288822 1077246263 /nfs/dbraw/zinc/24/62/63/1077246263.db2.gz VNRRPSSNFSLWCD-ZIUHXCHYSA-N 1 0 372.509 2.802 20 10 FFCDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)C1 ZINC001587260497 1079764040 /nfs/dbraw/zinc/76/40/40/1079764040.db2.gz ZZIUQWXHXJWRKK-HNNXBMFYSA-N 1 0 370.449 3.000 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c2c1c(F)ccc2O ZINC001590203740 1081087468 /nfs/dbraw/zinc/08/74/68/1081087468.db2.gz BCPHIHNDTNYGDC-ABAIWWIYSA-N 1 0 369.400 2.928 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000366728303 512161314 /nfs/dbraw/zinc/16/13/14/512161314.db2.gz QPCBOEWEZINWRK-ZBFHGGJFSA-N 1 0 362.470 2.680 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1F ZINC000091963824 508028358 /nfs/dbraw/zinc/02/83/58/508028358.db2.gz ZOCIPPZHPURLPL-UHFFFAOYSA-N 1 0 371.522 2.528 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661777 508092316 /nfs/dbraw/zinc/09/23/16/508092316.db2.gz ATECNSGYOMDBFW-OAQYLSRUSA-N 1 0 360.498 2.683 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000081364265 508167726 /nfs/dbraw/zinc/16/77/26/508167726.db2.gz QLXKIBWLDCTMHT-ZGBFETHSSA-N 1 0 371.525 2.727 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000152864171 508525792 /nfs/dbraw/zinc/52/57/92/508525792.db2.gz FPZCSFLXDHEONW-WIYYLYMNSA-N 1 0 370.493 2.922 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130266407 508808502 /nfs/dbraw/zinc/80/85/02/508808502.db2.gz IMPMWFULEOQYCW-LPHOPBHVSA-N 1 0 358.457 2.917 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371479143 512426465 /nfs/dbraw/zinc/42/64/65/512426465.db2.gz DKHYGKIIDXXFRU-NBQZKYEYSA-N 1 0 358.486 2.514 20 10 FFCDRO CC[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[NH+](C)C ZINC000160844417 509039135 /nfs/dbraw/zinc/03/91/35/509039135.db2.gz IVECIRIXBNAGPH-INIZCTEOSA-N 1 0 355.429 2.713 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3cccc(OC)c3)CC2)cc1 ZINC000161328206 509102647 /nfs/dbraw/zinc/10/26/47/509102647.db2.gz OGQQHFNCVWUDSU-OAQYLSRUSA-N 1 0 356.466 2.996 20 10 FFCDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Br)cc1O ZINC000185450120 509182862 /nfs/dbraw/zinc/18/28/62/509182862.db2.gz IOVRAUMNZUPUGC-GFCCVEGCSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192026972 509304432 /nfs/dbraw/zinc/30/44/32/509304432.db2.gz KVTFCZUGACTRNB-FQEVSTJZSA-N 1 0 356.466 2.782 20 10 FFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)C2=O)n(C)n1 ZINC000186083366 509514931 /nfs/dbraw/zinc/51/49/31/509514931.db2.gz UIDATNRJIGEQDH-KBXCAEBGSA-N 1 0 368.481 2.769 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000186103138 509523401 /nfs/dbraw/zinc/52/34/01/509523401.db2.gz IVQJADAHPMOZFQ-CZUORRHYSA-N 1 0 356.470 2.675 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000237263998 509606044 /nfs/dbraw/zinc/60/60/44/509606044.db2.gz USPYKNOEHOQRGD-KRWDZBQOSA-N 1 0 359.514 2.760 20 10 FFCDRO CNC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000264600551 509619040 /nfs/dbraw/zinc/61/90/40/509619040.db2.gz JRZIGSKFOFJSJH-IBGZPJMESA-N 1 0 354.450 2.933 20 10 FFCDRO C[NH+]1CCC(N2CCC([NH2+]Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000190911699 510411372 /nfs/dbraw/zinc/41/13/72/510411372.db2.gz QVPKRJDBUSVUDZ-UHFFFAOYSA-N 1 0 355.885 2.833 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)ccc1OCC(=O)N(C)C ZINC000266217760 510466084 /nfs/dbraw/zinc/46/60/84/510466084.db2.gz QFZSJXAGKDKUBE-UHFFFAOYSA-N 1 0 372.465 2.774 20 10 FFCDRO O=C(C1CC[NH+](C2CC2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000194797141 510531886 /nfs/dbraw/zinc/53/18/86/510531886.db2.gz SAEDZZJXNULYHJ-IBGZPJMESA-N 1 0 358.482 2.774 20 10 FFCDRO CCOc1cc(C[NH2+]Cc2ccccc2O)ccc1O[C@H](C)C(=O)N(C)C ZINC000263655796 510770980 /nfs/dbraw/zinc/77/09/80/510770980.db2.gz FZFNRVGGPYSZDG-OAHLLOKOSA-N 1 0 372.465 2.936 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(N)=S)cc3)c2)CC1 ZINC000185293738 510793873 /nfs/dbraw/zinc/79/38/73/510793873.db2.gz PZSARLVDGPOVFC-UHFFFAOYSA-N 1 0 368.506 2.715 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000275401498 510898990 /nfs/dbraw/zinc/89/89/90/510898990.db2.gz ZWRMTCLUOQPMAO-QMTHXVAHSA-N 1 0 354.248 2.581 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278450913 510993869 /nfs/dbraw/zinc/99/38/69/510993869.db2.gz LKVMVFYRERUDCC-HOCLYGCPSA-N 1 0 372.469 2.540 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278548879 510999034 /nfs/dbraw/zinc/99/90/34/510999034.db2.gz YTBIPGLMQRXLIC-AWEZNQCLSA-N 1 0 351.447 2.767 20 10 FFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000285734651 511013930 /nfs/dbraw/zinc/01/39/30/511013930.db2.gz JDLLHQAFYHCQIH-BASMLCPQSA-N 1 0 369.509 2.622 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1OC ZINC000279032000 511017680 /nfs/dbraw/zinc/01/76/80/511017680.db2.gz NQPFYESLBVOIAC-LBPRGKRZSA-N 1 0 369.425 2.749 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(OC)c1O ZINC000271020426 511059790 /nfs/dbraw/zinc/05/97/90/511059790.db2.gz TYMUAENCYBMTGG-UHFFFAOYSA-N 1 0 371.437 2.820 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000271109713 511086510 /nfs/dbraw/zinc/08/65/10/511086510.db2.gz SZGQDJXJNUZMSC-UHFFFAOYSA-N 1 0 351.443 2.963 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)[nH]1 ZINC000271402149 511191586 /nfs/dbraw/zinc/19/15/86/511191586.db2.gz VYSCXBVWGQLJNT-LLVKDONJSA-N 1 0 351.248 2.961 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(CC(=O)N(C)C)CC3)cc2)CC1 ZINC000295080098 511274272 /nfs/dbraw/zinc/27/42/72/511274272.db2.gz XRBKIXOOZIXAIY-UHFFFAOYSA-N 1 0 373.541 2.992 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000271946301 511380130 /nfs/dbraw/zinc/38/01/30/511380130.db2.gz AJOYYVDZVOUFPQ-AWEZNQCLSA-N 1 0 363.767 2.627 20 10 FFCDRO CC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272079310 511424481 /nfs/dbraw/zinc/42/44/81/511424481.db2.gz KOKMJCYMLPXBHO-WBVHZDCISA-N 1 0 370.419 2.977 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446703 511526139 /nfs/dbraw/zinc/52/61/39/511526139.db2.gz NXIYVQLHPNALDG-KSSFIOAISA-N 1 0 371.437 2.718 20 10 FFCDRO COc1cccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280832322 511620825 /nfs/dbraw/zinc/62/08/25/511620825.db2.gz WYHGZMPFGKIRHM-KSSFIOAISA-N 1 0 363.479 2.973 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1O ZINC000363847639 511806408 /nfs/dbraw/zinc/80/64/08/511806408.db2.gz DRBJSLSSIYWXBA-KUUHDYPXSA-N 1 0 367.449 2.917 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000284867289 511904783 /nfs/dbraw/zinc/90/47/83/511904783.db2.gz DLAGVRFSUOZHRW-UONOGXRCSA-N 1 0 360.292 2.711 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1OC ZINC000373719879 512472502 /nfs/dbraw/zinc/47/25/02/512472502.db2.gz MZZXOEXISLWCMN-NJSLBKSFSA-N 1 0 351.443 2.568 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000367615260 512585538 /nfs/dbraw/zinc/58/55/38/512585538.db2.gz KXEBQRBGLPUJMG-FQEVSTJZSA-N 1 0 369.513 2.598 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOC1 ZINC000372043752 512691466 /nfs/dbraw/zinc/69/14/66/512691466.db2.gz YQDYKDGZCKUNCA-XJKSGUPXSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1O ZINC000368211230 512847360 /nfs/dbraw/zinc/84/73/60/512847360.db2.gz COQQDUXYETZMLM-IFXJQAMLSA-N 1 0 354.450 2.976 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1O ZINC000368211232 512847384 /nfs/dbraw/zinc/84/73/84/512847384.db2.gz COQQDUXYETZMLM-LIRRHRJNSA-N 1 0 354.450 2.976 20 10 FFCDRO COCC1(C)CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000447880746 513613982 /nfs/dbraw/zinc/61/39/82/513613982.db2.gz HAHGRPCJVZDAST-UHFFFAOYSA-N 1 0 369.509 2.903 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC[C@@H]2C)C1 ZINC000435972257 513729575 /nfs/dbraw/zinc/72/95/75/513729575.db2.gz CFAVEYONLADAHU-QFBILLFUSA-N 1 0 369.509 2.949 20 10 FFCDRO O=C(c1cn[nH]c1[C@@H]1CCC[NH2+]C1)N1CC2(CCOCC2)c2ccccc21 ZINC000423785406 514227659 /nfs/dbraw/zinc/22/76/59/514227659.db2.gz TXFBQZGJIOEACE-OAHLLOKOSA-N 1 0 366.465 2.585 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](CO)C2CC2)C1 ZINC000461613232 514666230 /nfs/dbraw/zinc/66/62/30/514666230.db2.gz ZQOVARLDCHNCPN-KRWDZBQOSA-N 1 0 369.509 2.543 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1F ZINC000825879665 607705719 /nfs/dbraw/zinc/70/57/19/607705719.db2.gz NNFNTMJPCVUPAP-UHFFFAOYSA-N 1 0 352.417 2.851 20 10 FFCDRO C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000824598282 608280604 /nfs/dbraw/zinc/28/06/04/608280604.db2.gz DFTWQYQUDFAKAX-CQSZACIVSA-N 1 0 352.442 2.662 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154674469 728809709 /nfs/dbraw/zinc/80/97/09/728809709.db2.gz XLJLPVMYDXGGAK-AWEZNQCLSA-N 1 0 356.561 2.999 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000898116956 735316636 /nfs/dbraw/zinc/31/66/36/735316636.db2.gz WCTFJRFHMUTVFK-AWEZNQCLSA-N 1 0 372.259 2.591 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@@H](CF)C2)[NH+](C)C)cc1 ZINC000899098026 735446879 /nfs/dbraw/zinc/44/68/79/735446879.db2.gz KQTULNLVLZWYPR-MAUKXSAKSA-N 1 0 350.482 2.746 20 10 FFCDRO C[C@@H](CC(F)(F)F)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100954 735447383 /nfs/dbraw/zinc/44/73/83/735447383.db2.gz DOIDDUQOAVGROE-SWLSCSKDSA-N 1 0 360.424 2.995 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000066185708 728167282 /nfs/dbraw/zinc/16/72/82/728167282.db2.gz ZLHDGXZDEXWGIS-INIZCTEOSA-N 1 0 364.559 2.769 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1F ZINC000084866478 728426531 /nfs/dbraw/zinc/42/65/31/728426531.db2.gz MDKOHOKKTCSPCY-UHFFFAOYSA-N 1 0 350.356 2.925 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cc1F ZINC000122384440 728646926 /nfs/dbraw/zinc/64/69/26/728646926.db2.gz ZRCNGATZSGYLIV-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000122743632 728651126 /nfs/dbraw/zinc/65/11/26/728651126.db2.gz MVGKIGWWRSQZTB-OAHLLOKOSA-N 1 0 361.511 2.820 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000129844266 728713510 /nfs/dbraw/zinc/71/35/10/728713510.db2.gz QIKJYNDELDYQSZ-WMLDXEAASA-N 1 0 368.905 2.615 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1 ZINC000173453972 729047668 /nfs/dbraw/zinc/04/76/68/729047668.db2.gz IJLJLHHRVVLALV-UHFFFAOYSA-N 1 0 362.495 2.728 20 10 FFCDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1O ZINC000176286351 729113565 /nfs/dbraw/zinc/11/35/65/729113565.db2.gz QDCAPVYLZCHAPG-UHFFFAOYSA-N 1 0 369.219 2.782 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1C ZINC000185091630 729341081 /nfs/dbraw/zinc/34/10/81/729341081.db2.gz LNFUFEJOMLTWTK-UHFFFAOYSA-N 1 0 360.479 2.839 20 10 FFCDRO CCN(CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2)S(C)(=O)=O ZINC000185089275 729341178 /nfs/dbraw/zinc/34/11/78/729341178.db2.gz QZXRHOXXMVXTPV-CQSZACIVSA-N 1 0 354.516 2.593 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000194902972 729524255 /nfs/dbraw/zinc/52/42/55/729524255.db2.gz QFHMVJPBRKQVJP-JTQLQIEISA-N 1 0 350.260 2.934 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1O ZINC000779022734 738430173 /nfs/dbraw/zinc/43/01/73/738430173.db2.gz XZKDHGGWTCFKOX-NWANDNLSSA-N 1 0 369.303 2.977 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC000758503430 736495448 /nfs/dbraw/zinc/49/54/48/736495448.db2.gz VMTBBGOQSMASRQ-UHFFFAOYSA-N 1 0 363.479 2.714 20 10 FFCDRO C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C[NH+]1CCCC1 ZINC000761097706 736695648 /nfs/dbraw/zinc/69/56/48/736695648.db2.gz OSHPCHJBVUXUOR-ZDUSSCGKSA-N 1 0 365.861 2.542 20 10 FFCDRO Cn1cc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c(Cl)n1 ZINC000856719079 730349460 /nfs/dbraw/zinc/34/94/60/730349460.db2.gz PRYJDGMPNCCNEA-IZZDOVSWSA-N 1 0 372.947 2.863 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000858141348 730417675 /nfs/dbraw/zinc/41/76/75/730417675.db2.gz NRMCJZNAOKHDNS-CQSZACIVSA-N 1 0 353.457 2.621 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000858498642 730427298 /nfs/dbraw/zinc/42/72/98/730427298.db2.gz SSRPMVQEEYKXDQ-RRFJBIMHSA-N 1 0 360.907 2.947 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1O ZINC000858565490 730428896 /nfs/dbraw/zinc/42/88/96/730428896.db2.gz QSAQYUWUJCJKLH-PBHICJAKSA-N 1 0 361.873 2.992 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925149594 738483487 /nfs/dbraw/zinc/48/34/87/738483487.db2.gz RYHVGISOQVUCHP-DLBZAZTESA-N 1 0 363.527 2.894 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnnn1C ZINC000925160848 738484385 /nfs/dbraw/zinc/48/43/85/738484385.db2.gz NCPLPQVDJRPJOO-STQMWFEESA-N 1 0 351.401 2.736 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862222314 730677891 /nfs/dbraw/zinc/67/78/91/730677891.db2.gz VBFNPONFDZHSMC-CYBMUJFWSA-N 1 0 367.287 2.893 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000768340604 737414384 /nfs/dbraw/zinc/41/43/84/737414384.db2.gz ABJWIQALFHDUAA-GOSISDBHSA-N 1 0 367.559 2.827 20 10 FFCDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC000876797165 732282177 /nfs/dbraw/zinc/28/21/77/732282177.db2.gz NUOCZJQFTLNNNK-UHFFFAOYSA-N 1 0 354.426 2.797 20 10 FFCDRO CO[C@]1(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000877071957 732321599 /nfs/dbraw/zinc/32/15/99/732321599.db2.gz VUJKRSNOQSRDFJ-KDOFPFPSSA-N 1 0 356.413 2.652 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCOc3ccc(Cl)cn3)cc2)CC1 ZINC000877085238 732322385 /nfs/dbraw/zinc/32/23/85/732322385.db2.gz MHWZXCOJGXTEQJ-UHFFFAOYSA-N 1 0 361.873 2.865 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1O ZINC000879652248 732742985 /nfs/dbraw/zinc/74/29/85/732742985.db2.gz XZJLOIMMUXUKFS-ZDUSSCGKSA-N 1 0 350.440 2.621 20 10 FFCDRO Cc1cc(Br)c(O)c(CNc2ccn(CC[NH+](C)C)n2)c1 ZINC000781633061 738643039 /nfs/dbraw/zinc/64/30/39/738643039.db2.gz OVWDNZQNLBVQIM-UHFFFAOYSA-N 1 0 353.264 2.833 20 10 FFCDRO Cc1ncsc1/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242318 734403587 /nfs/dbraw/zinc/40/35/87/734403587.db2.gz DXOBYMMFKUJEGN-QXPKXGMISA-N 1 0 358.511 2.950 20 10 FFCDRO CCc1[nH]nc(Cl)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245452 734404172 /nfs/dbraw/zinc/40/41/72/734404172.db2.gz FICVMZZCRGLQQL-HNNXBMFYSA-N 1 0 363.893 2.724 20 10 FFCDRO C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000891813275 734479044 /nfs/dbraw/zinc/47/90/44/734479044.db2.gz JLZMNEXZWXTHBP-WHOFXGATSA-N 1 0 358.408 2.592 20 10 FFCDRO COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1OC ZINC000892029236 734508442 /nfs/dbraw/zinc/50/84/42/734508442.db2.gz VPSNDAZBKJFLSL-GFCCVEGCSA-N 1 0 354.447 2.754 20 10 FFCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000892031144 734508621 /nfs/dbraw/zinc/50/86/21/734508621.db2.gz HCDAZLSCOJKMRQ-INIZCTEOSA-N 1 0 362.543 2.523 20 10 FFCDRO COC(=O)C1CCC([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000730107231 734616137 /nfs/dbraw/zinc/61/61/37/734616137.db2.gz DAWNAZMKFULFRR-UHFFFAOYSA-N 1 0 372.259 2.985 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)c(O)c1OC ZINC000893317940 734685471 /nfs/dbraw/zinc/68/54/71/734685471.db2.gz CSBQCZXIRHBHNS-BTUGKURYSA-N 1 0 351.443 2.821 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c(O)c1OC ZINC000894287154 734830823 /nfs/dbraw/zinc/83/08/23/734830823.db2.gz UEEXZPHUPIWZCE-LBPRGKRZSA-N 1 0 354.447 2.802 20 10 FFCDRO COC(=O)c1cnc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895050390 734957602 /nfs/dbraw/zinc/95/76/02/734957602.db2.gz BXJCLWXYMBAKMO-CYBMUJFWSA-N 1 0 361.467 2.554 20 10 FFCDRO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895451154 735007991 /nfs/dbraw/zinc/00/79/91/735007991.db2.gz ISRMEUYODXWCHX-WMLDXEAASA-N 1 0 353.304 2.911 20 10 FFCDRO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895576467 735026353 /nfs/dbraw/zinc/02/63/53/735026353.db2.gz ZSDGUZHNXLYMKB-QGZVFWFLSA-N 1 0 358.404 2.801 20 10 FFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708308 735044269 /nfs/dbraw/zinc/04/42/69/735044269.db2.gz QMCIDAODXSOQLE-MVGZEHJDSA-N 1 0 350.356 2.825 20 10 FFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H]1CCCOC1 ZINC000895853325 735064684 /nfs/dbraw/zinc/06/46/84/735064684.db2.gz DZKNJUAIXRDPPW-SWLSCSKDSA-N 1 0 358.276 2.994 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cc(F)ccc1O ZINC000903173170 736047972 /nfs/dbraw/zinc/04/79/72/736047972.db2.gz KKNHSGBWSPXYCC-CYBMUJFWSA-N 1 0 366.458 2.774 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1O ZINC000903212309 736055826 /nfs/dbraw/zinc/05/58/26/736055826.db2.gz WKGQEGJUXSQQJF-MNOVXSKESA-N 1 0 371.275 2.682 20 10 FFCDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392119 736086999 /nfs/dbraw/zinc/08/69/99/736086999.db2.gz MRTAJBWFNHGKKY-KDOFPFPSSA-N 1 0 365.905 2.838 20 10 FFCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CS1 ZINC000754121201 736128288 /nfs/dbraw/zinc/12/82/88/736128288.db2.gz KWKIWMOJHCVXLD-SJLPKXTDSA-N 1 0 368.568 2.541 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756477665 736334811 /nfs/dbraw/zinc/33/48/11/736334811.db2.gz CTDXXPCHFVFZOD-MRXNPFEDSA-N 1 0 362.495 2.947 20 10 FFCDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Br)ccc1O ZINC000756788167 736361352 /nfs/dbraw/zinc/36/13/52/736361352.db2.gz BMZMERSSPJMCHF-JTQLQIEISA-N 1 0 351.248 2.862 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000759601857 736580019 /nfs/dbraw/zinc/58/00/19/736580019.db2.gz PFNGKOQSBKZJSD-AWEZNQCLSA-N 1 0 354.545 2.895 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765287176 737104799 /nfs/dbraw/zinc/10/47/99/737104799.db2.gz SEYOXYOYRVQMMY-LSDHHAIUSA-N 1 0 365.905 2.838 20 10 FFCDRO CN(CCC(=O)NCc1cccc(Br)c1O)c1cc[nH+]cc1 ZINC000765751991 737153854 /nfs/dbraw/zinc/15/38/54/737153854.db2.gz CRTNHMJNKMOWKJ-UHFFFAOYSA-N 1 0 364.243 2.692 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000765979513 737179911 /nfs/dbraw/zinc/17/99/11/737179911.db2.gz KVVQRKDVIJCPJK-OALUTQOASA-N 1 0 362.539 2.980 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1F ZINC000765980243 737179958 /nfs/dbraw/zinc/17/99/58/737179958.db2.gz XPOVLWKLSSXUMQ-HNNXBMFYSA-N 1 0 362.470 2.911 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(F)c1 ZINC000765980843 737180357 /nfs/dbraw/zinc/18/03/57/737180357.db2.gz SYIIUBKWHFDGME-OAHLLOKOSA-N 1 0 362.470 2.911 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)C1CC[NH+](C2CC2)CC1 ZINC000804739135 740901941 /nfs/dbraw/zinc/90/19/41/740901941.db2.gz RYNNOLPGZMZDQQ-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1O ZINC000767426840 737324835 /nfs/dbraw/zinc/32/48/35/737324835.db2.gz STPAAWCJOFSYBJ-AWEZNQCLSA-N 1 0 352.228 2.987 20 10 FFCDRO O=C(C[C@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915985 737476859 /nfs/dbraw/zinc/47/68/59/737476859.db2.gz OOMMOSTVMQWMNO-JKSUJKDBSA-N 1 0 352.862 2.695 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1 ZINC000769531693 737539695 /nfs/dbraw/zinc/53/96/95/737539695.db2.gz FJTZALIZBZQNNP-LJQANCHMSA-N 1 0 367.559 2.827 20 10 FFCDRO COC[C@@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055417 737689818 /nfs/dbraw/zinc/68/98/18/737689818.db2.gz CBKSOGDMISARFF-XJKSGUPXSA-N 1 0 354.878 2.799 20 10 FFCDRO CC(C)[C@@](C)(O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771416460 737724754 /nfs/dbraw/zinc/72/47/54/737724754.db2.gz HGEURCRKXUPXBZ-MAUKXSAKSA-N 1 0 354.878 2.533 20 10 FFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774163509 737965374 /nfs/dbraw/zinc/96/53/74/737965374.db2.gz LTRJRKASXVHGRF-VXGBXAGGSA-N 1 0 374.312 2.937 20 10 FFCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000774489905 737994136 /nfs/dbraw/zinc/99/41/36/737994136.db2.gz WVDQLHZRWONKQY-ICXUMSERSA-N 1 0 368.905 2.757 20 10 FFCDRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921799674 738046436 /nfs/dbraw/zinc/04/64/36/738046436.db2.gz IHDGXBKKLMGDCR-QAPCUYQASA-N 1 0 366.527 2.550 20 10 FFCDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775372959 738088033 /nfs/dbraw/zinc/08/80/33/738088033.db2.gz KRPJWEIXWFWMEB-SNVBAGLBSA-N 1 0 364.423 2.538 20 10 FFCDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)[C@@H]1C(C)C ZINC000922396603 738137961 /nfs/dbraw/zinc/13/79/61/738137961.db2.gz YPYADLKFPDCNOK-FPAYPSAMSA-N 1 0 354.441 2.630 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@@H](C(F)(F)F)O3)cc2)CC1 ZINC000922455584 738148244 /nfs/dbraw/zinc/14/82/44/738148244.db2.gz OXZZVRSCHLNTRB-SJORKVTESA-N 1 0 358.404 2.847 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000922850755 738209229 /nfs/dbraw/zinc/20/92/29/738209229.db2.gz CNDCNOPQBCAECE-MQVJKMGUSA-N 1 0 354.491 2.870 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000788543551 739257063 /nfs/dbraw/zinc/25/70/63/739257063.db2.gz XAHXKRDBQORWKU-AEFFLSMTSA-N 1 0 368.568 2.685 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(F)(F)F)nn3)cc2)CC1 ZINC000788866680 739289532 /nfs/dbraw/zinc/28/95/32/739289532.db2.gz GIWJSIQDKTUJGD-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793080218 739737750 /nfs/dbraw/zinc/73/77/50/739737750.db2.gz FPNBFXFIILMVAC-MRXNPFEDSA-N 1 0 360.376 2.583 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000794704423 739921170 /nfs/dbraw/zinc/92/11/70/739921170.db2.gz PUWJBYJSKLSQCI-UHFFFAOYSA-N 1 0 351.443 2.501 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797095564 740211548 /nfs/dbraw/zinc/21/15/48/740211548.db2.gz DECNJCKLNJPRQA-QAPCUYQASA-N 1 0 353.532 2.607 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c(O)c1 ZINC000797999457 740297771 /nfs/dbraw/zinc/29/77/71/740297771.db2.gz SDZAHGPLZYQIIQ-AWEZNQCLSA-N 1 0 366.458 2.811 20 10 FFCDRO O=C(NCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)C(F)(F)F ZINC000799140337 740391547 /nfs/dbraw/zinc/39/15/47/740391547.db2.gz DSIAVMXNVWOKOX-UHFFFAOYSA-N 1 0 356.388 2.771 20 10 FFCDRO COCCCn1nccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000801720042 740645581 /nfs/dbraw/zinc/64/55/81/740645581.db2.gz ZJGPGXRVWWQEFN-UHFFFAOYSA-N 1 0 360.527 2.763 20 10 FFCDRO CN(CCC(=O)NCc1cc(Br)ccc1O)c1cc[nH+]cc1 ZINC000804735546 740900635 /nfs/dbraw/zinc/90/06/35/740900635.db2.gz DJZFDJRBPYVAOR-UHFFFAOYSA-N 1 0 364.243 2.692 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000808705972 741254405 /nfs/dbraw/zinc/25/44/05/741254405.db2.gz BPHYNGQFYBCFDX-GFCCVEGCSA-N 1 0 372.918 2.961 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000808711340 741254816 /nfs/dbraw/zinc/25/48/16/741254816.db2.gz CJKVFTYWIARSKB-OAVHHTNSSA-N 1 0 365.861 2.725 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc(C)c2O)CC1 ZINC000809783900 741343290 /nfs/dbraw/zinc/34/32/90/741343290.db2.gz AMENXBQHJUEJQD-HNNXBMFYSA-N 1 0 354.516 2.583 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000809950877 741365331 /nfs/dbraw/zinc/36/53/31/741365331.db2.gz QRZHPNLTMRXBHQ-IBGZPJMESA-N 1 0 352.475 2.880 20 10 FFCDRO CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810234696 741400179 /nfs/dbraw/zinc/40/01/79/741400179.db2.gz GXSUKBIGDFVFIJ-LBPRGKRZSA-N 1 0 356.348 2.605 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815569146 741945573 /nfs/dbraw/zinc/94/55/73/741945573.db2.gz IZFHVWIYQNRHAD-INIZCTEOSA-N 1 0 362.495 2.947 20 10 FFCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887941 742220837 /nfs/dbraw/zinc/22/08/37/742220837.db2.gz HJEACFISVQNVRV-CXAGYDPISA-N 1 0 357.420 2.630 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000817960078 742224353 /nfs/dbraw/zinc/22/43/53/742224353.db2.gz WWFQYPNWGCVWCM-RISCZKNCSA-N 1 0 355.276 2.891 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)COc1ccccc1 ZINC000818964186 742316270 /nfs/dbraw/zinc/31/62/70/742316270.db2.gz NHKKLBKRTXXPMI-IBGZPJMESA-N 1 0 358.507 2.769 20 10 FFCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000824677779 743128124 /nfs/dbraw/zinc/12/81/24/743128124.db2.gz JAIACQHWYXYWPV-AWEZNQCLSA-N 1 0 373.291 2.756 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1Cl ZINC000825033725 743198758 /nfs/dbraw/zinc/19/87/58/743198758.db2.gz UCHZJVMZNWAAMR-UHFFFAOYSA-N 1 0 350.821 2.942 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000825041005 743200320 /nfs/dbraw/zinc/20/03/20/743200320.db2.gz YECYVSJPGXNUEP-OLZOCXBDSA-N 1 0 372.259 2.985 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1Cl ZINC000825101577 743210404 /nfs/dbraw/zinc/21/04/04/743210404.db2.gz DRJYSRIVJQYONB-GOSISDBHSA-N 1 0 360.885 2.863 20 10 FFCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000825131412 743216064 /nfs/dbraw/zinc/21/60/64/743216064.db2.gz NQEXHGDNPZVWEP-OAHLLOKOSA-N 1 0 352.228 2.987 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1OC ZINC000825294744 743243211 /nfs/dbraw/zinc/24/32/11/743243211.db2.gz XSHIZEKXVMXRCF-UHFFFAOYSA-N 1 0 362.392 2.868 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1O ZINC000825338752 743252028 /nfs/dbraw/zinc/25/20/28/743252028.db2.gz UGVZBUZWFKNRTM-CQSZACIVSA-N 1 0 352.228 2.987 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1Cl ZINC000825425557 743268641 /nfs/dbraw/zinc/26/86/41/743268641.db2.gz BZKVTBVBJOEEQF-CQSZACIVSA-N 1 0 363.767 2.627 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000827210168 743534036 /nfs/dbraw/zinc/53/40/36/743534036.db2.gz KKZMDHXZPVBQLA-UHFFFAOYSA-N 1 0 374.275 2.527 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)[C@@]1(O)CCCOC1 ZINC000827596148 743608861 /nfs/dbraw/zinc/60/88/61/743608861.db2.gz VRTRTAJJGQRIJO-MRXNPFEDSA-N 1 0 358.276 2.812 20 10 FFCDRO C[NH+](C)CCC[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000827855793 744991634 /nfs/dbraw/zinc/99/16/34/744991634.db2.gz INUFUWWRDWRJHK-HNNXBMFYSA-N 1 0 357.292 2.697 20 10 FFCDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000827855729 744991954 /nfs/dbraw/zinc/99/19/54/744991954.db2.gz GXOZAAOBEHNHNU-OAHLLOKOSA-N 1 0 357.292 2.697 20 10 FFCDRO [NH3+][C@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000828359435 745059354 /nfs/dbraw/zinc/05/93/54/745059354.db2.gz TYQWOSMODUOPIV-MRXNPFEDSA-N 1 0 353.413 2.500 20 10 FFCDRO CO[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544639 745378103 /nfs/dbraw/zinc/37/81/03/745378103.db2.gz SDNYRYHXIIEFOA-RRQGHBQHSA-N 1 0 366.889 2.941 20 10 FFCDRO CCC(F)(F)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000831561862 745546495 /nfs/dbraw/zinc/54/64/95/745546495.db2.gz ZMQIOYYXWQBXMK-UHFFFAOYSA-N 1 0 351.441 2.880 20 10 FFCDRO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284385 745671379 /nfs/dbraw/zinc/67/13/79/745671379.db2.gz KAZNETLYIWHHBN-MRXNPFEDSA-N 1 0 358.511 2.900 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSCc2ccc(F)cc2)cc1 ZINC000832285755 745672114 /nfs/dbraw/zinc/67/21/14/745672114.db2.gz UBAYVUZWDXPXBC-GOSISDBHSA-N 1 0 361.486 2.941 20 10 FFCDRO COc1ccc(SCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832292283 745673088 /nfs/dbraw/zinc/67/30/88/745673088.db2.gz DXNLDQYTKIBZFB-GOSISDBHSA-N 1 0 359.495 2.670 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000832293203 745673666 /nfs/dbraw/zinc/67/36/66/745673666.db2.gz RGAVOPCQSGSXQS-SJLPKXTDSA-N 1 0 359.857 2.526 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000832292514 745673698 /nfs/dbraw/zinc/67/36/98/745673698.db2.gz HXLKMGNPJBLBJS-CQSZACIVSA-N 1 0 352.360 2.596 20 10 FFCDRO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@@H+](C2CC2)C1 ZINC000838517561 746657040 /nfs/dbraw/zinc/65/70/40/746657040.db2.gz XIDWSCQGFYNAQP-CYBMUJFWSA-N 1 0 354.545 2.751 20 10 FFCDRO OCC1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)COC1 ZINC000838980866 746749748 /nfs/dbraw/zinc/74/97/48/746749748.db2.gz UCQQOPFEXWACTD-UHFFFAOYSA-N 1 0 369.303 2.538 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000839649537 746881822 /nfs/dbraw/zinc/88/18/22/746881822.db2.gz HDSWBYNRGPNQKD-DZGCQCFKSA-N 1 0 364.511 2.796 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840105113 747003293 /nfs/dbraw/zinc/00/32/93/747003293.db2.gz ORVLVGVGPPXGQL-AWEZNQCLSA-N 1 0 350.459 2.971 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840875435 747209249 /nfs/dbraw/zinc/20/92/49/747209249.db2.gz GXJSWCPHIZTMAC-UHFFFAOYSA-N 1 0 360.907 2.648 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)ccc1OCC(N)=O ZINC000841745781 747447505 /nfs/dbraw/zinc/44/75/05/747447505.db2.gz AKKNDVRSXGLHRR-NSHDSACASA-N 1 0 364.829 2.769 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841758621 747451949 /nfs/dbraw/zinc/45/19/49/747451949.db2.gz UDCGDIZMDJYQFZ-YGRLFVJLSA-N 1 0 352.784 2.959 20 10 FFCDRO CCCN(C(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000841796934 747462592 /nfs/dbraw/zinc/46/25/92/747462592.db2.gz WEWRXVFVDZLBRH-MRXNPFEDSA-N 1 0 350.482 2.955 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC[NH2+]C1CC1 ZINC000841918088 747486219 /nfs/dbraw/zinc/48/62/19/747486219.db2.gz RTCIMWZCWYFXHG-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO COc1cccc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c1O ZINC000842740166 747674709 /nfs/dbraw/zinc/67/47/09/747674709.db2.gz MZLHQPZBPSVJQV-UHFFFAOYSA-N 1 0 351.443 2.629 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1O ZINC000842882574 747713268 /nfs/dbraw/zinc/71/32/68/747713268.db2.gz HFJNERNJDOYEQF-WCQYABFASA-N 1 0 367.854 2.931 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000842885299 747714436 /nfs/dbraw/zinc/71/44/36/747714436.db2.gz ZNFIQAPTAGOOGH-WMLDXEAASA-N 1 0 360.479 2.638 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000843350350 747815113 /nfs/dbraw/zinc/81/51/13/747815113.db2.gz NLZPRWOKFRTAIE-OAHLLOKOSA-N 1 0 355.404 2.699 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000844173483 747983309 /nfs/dbraw/zinc/98/33/09/747983309.db2.gz FBMOZRQFYNZGIJ-QRQLOZEOSA-N 1 0 359.539 2.777 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844911589 748134787 /nfs/dbraw/zinc/13/47/87/748134787.db2.gz PGWNGRNZMQEVIB-YCPHGPKFSA-N 1 0 369.849 2.815 20 10 FFCDRO COC(=O)CCn1nc(C)c(C[NH2+]Cc2cc(Cl)ccc2O)c1C ZINC000846058091 748393564 /nfs/dbraw/zinc/39/35/64/748393564.db2.gz LCTOGYXWYKTRCS-UHFFFAOYSA-N 1 0 351.834 2.712 20 10 FFCDRO O=C(CC[NH2+]C1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848414026 748920752 /nfs/dbraw/zinc/92/07/52/748920752.db2.gz KXHVYPDPDRTFML-AWEZNQCLSA-N 1 0 353.413 2.515 20 10 FFCDRO CCCNC(=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848521388 748948673 /nfs/dbraw/zinc/94/86/73/748948673.db2.gz NOFCRXKEEOHZMP-SNVBAGLBSA-N 1 0 359.264 2.730 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1O ZINC000848519653 748948646 /nfs/dbraw/zinc/94/86/46/748948646.db2.gz SYYIVXMPEFNBJU-SNVBAGLBSA-N 1 0 359.264 2.729 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000848524761 748949302 /nfs/dbraw/zinc/94/93/02/748949302.db2.gz MAIVPACVFMQUHY-NWDGAFQWSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000848528931 748951012 /nfs/dbraw/zinc/95/10/12/748951012.db2.gz PTKWLVNXOSAFPE-RYUDHWBXSA-N 1 0 374.275 2.867 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000848530573 748951347 /nfs/dbraw/zinc/95/13/47/748951347.db2.gz BHAWTXMFWISLSI-OTYXRUKQSA-N 1 0 362.289 2.682 20 10 FFCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531573 748951634 /nfs/dbraw/zinc/95/16/34/748951634.db2.gz SPHDGBHQOHIBQV-MEBBXXQBSA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccnn2C)c1O ZINC000848545155 748955123 /nfs/dbraw/zinc/95/51/23/748955123.db2.gz AJLUCUQHCHUAKH-SNVBAGLBSA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cncn2C)c1O ZINC000848546293 748955627 /nfs/dbraw/zinc/95/56/27/748955627.db2.gz XJMQDLCPYOTART-JTQLQIEISA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(OC)CCOC2)c1O ZINC000848546057 748955763 /nfs/dbraw/zinc/95/57/63/748955763.db2.gz QOMPHWBFXSJJRF-MEBBXXQBSA-N 1 0 360.248 2.619 20 10 FFCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848549491 748957063 /nfs/dbraw/zinc/95/70/63/748957063.db2.gz PSFRGINFGNCFCF-WCVRRQIGSA-N 1 0 374.275 2.744 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000848552439 748958136 /nfs/dbraw/zinc/95/81/36/748958136.db2.gz BDJZBHAGIBOUHH-NXEZZACHSA-N 1 0 359.264 2.727 20 10 FFCDRO CCc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000848916486 749034007 /nfs/dbraw/zinc/03/40/07/749034007.db2.gz VCGDLGIDSCQKED-ZFWWWQNUSA-N 1 0 356.388 2.797 20 10 FFCDRO COc1ccc(CCNC(=[NH2+])NCCCSc2nccs2)cc1 ZINC000849086023 749047551 /nfs/dbraw/zinc/04/75/51/749047551.db2.gz LUAQDLOVSQWJCS-UHFFFAOYSA-N 1 0 350.513 2.991 20 10 FFCDRO COc1cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850339377 749344714 /nfs/dbraw/zinc/34/47/14/749344714.db2.gz QSWPLOGTWCDFAT-FQEVSTJZSA-N 1 0 351.487 2.966 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(C4OCCO4)s3)C2)cc1 ZINC000850347020 749346939 /nfs/dbraw/zinc/34/69/39/749346939.db2.gz MCVOBRITDMVBIH-ZDUSSCGKSA-N 1 0 361.467 2.566 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1OC ZINC000850353519 749350738 /nfs/dbraw/zinc/35/07/38/749350738.db2.gz FKHVRQBWZPISKS-BHIYHBOVSA-N 1 0 351.487 2.887 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000850406567 749360671 /nfs/dbraw/zinc/36/06/71/749360671.db2.gz LUABBOXEQKAVNR-WMLDXEAASA-N 1 0 358.404 2.847 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C(F)F)n1 ZINC000850406622 749361680 /nfs/dbraw/zinc/36/16/80/749361680.db2.gz NJKIGJXQEJSPMZ-UHFFFAOYSA-N 1 0 350.413 2.609 20 10 FFCDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000850487023 749372277 /nfs/dbraw/zinc/37/22/77/749372277.db2.gz XQBXQBDGGMXACR-HOCLYGCPSA-N 1 0 356.894 2.879 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1OC ZINC000853084501 750004857 /nfs/dbraw/zinc/00/48/57/750004857.db2.gz OWPKTJAOYNMIOQ-GFCCVEGCSA-N 1 0 354.447 2.754 20 10 FFCDRO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c(C)n1-c1cccc(Cl)c1 ZINC000853245909 750037130 /nfs/dbraw/zinc/03/71/30/750037130.db2.gz PXSCQMPQPPVVFL-UHFFFAOYSA-N 1 0 359.857 2.562 20 10 FFCDRO Cc1c(F)nccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814164 970980273 /nfs/dbraw/zinc/98/02/73/970980273.db2.gz LJDTUQFRGYQXDX-UHFFFAOYSA-N 1 0 356.445 2.521 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000182375042 971024176 /nfs/dbraw/zinc/02/41/76/971024176.db2.gz BCPSPXVWTNGBDX-LBPRGKRZSA-N 1 0 359.382 2.988 20 10 FFCDRO CCOC1CC2(C[C@@H]2NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000896320993 971420393 /nfs/dbraw/zinc/42/03/93/971420393.db2.gz QJFFVOKNKLSDBX-JMDAGXMHSA-N 1 0 374.529 2.612 20 10 FFCDRO Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000896487240 971508220 /nfs/dbraw/zinc/50/82/20/971508220.db2.gz FBUKCECSBYXQDB-GOSISDBHSA-N 1 0 354.498 2.761 20 10 FFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@]34C[C@H]3COC4)CC2)cc1C ZINC001026498549 971609715 /nfs/dbraw/zinc/60/97/15/971609715.db2.gz VDEYGKDFIPIKLZ-RJPLPAITSA-N 1 0 358.482 2.557 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c(O)c1 ZINC000896749704 971690563 /nfs/dbraw/zinc/69/05/63/971690563.db2.gz WJWQVLQYERDGEE-UHFFFAOYSA-N 1 0 368.437 2.695 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026895405 972125665 /nfs/dbraw/zinc/12/56/65/972125665.db2.gz DKNRLQIXYGFNSX-GGPKGHCWSA-N 1 0 360.498 2.757 20 10 FFCDRO C[NH+]1CCC(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888593632 1013140490 /nfs/dbraw/zinc/14/04/90/1013140490.db2.gz DLCBYPPXXFWLRP-UHFFFAOYSA-N 1 0 350.426 2.612 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)C(=O)N1CC(F)F ZINC001275895808 1013155769 /nfs/dbraw/zinc/15/57/69/1013155769.db2.gz OGVIFZMDDOLRNG-KRWDZBQOSA-N 1 0 372.799 2.652 20 10 FFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1C ZINC001167299143 961308669 /nfs/dbraw/zinc/30/86/69/961308669.db2.gz MXHZXVDKZVJPHH-GGPKGHCWSA-N 1 0 372.509 2.947 20 10 FFCDRO COC(=O)c1c(C)c(OC)ccc1N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001167370954 962456215 /nfs/dbraw/zinc/45/62/15/962456215.db2.gz GVIBGORJVHNCQG-UHFFFAOYSA-N 1 0 370.449 2.525 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1Cn1cccn1 ZINC000873012074 1013347973 /nfs/dbraw/zinc/34/79/73/1013347973.db2.gz CIEKMMBIAQVOLI-UHFFFAOYSA-N 1 0 351.454 2.691 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc3nccnc3c2)ccc1N1CCOCC1 ZINC000873015762 1013349850 /nfs/dbraw/zinc/34/98/50/1013349850.db2.gz WQJKCUONCZEXBR-UHFFFAOYSA-N 1 0 352.413 2.895 20 10 FFCDRO C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245561 962559195 /nfs/dbraw/zinc/55/91/95/962559195.db2.gz GPYLACRVZXQNJQ-CCKFTAQKSA-N 1 0 369.513 2.561 20 10 FFCDRO C/C(=C\c1ccccn1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246166 962565637 /nfs/dbraw/zinc/56/56/37/962565637.db2.gz MRMHNLQTSVSPRH-VISDOYDDSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(c3cccnc3)CC2)[NH+](C)C)cc1 ZINC000891247975 962580850 /nfs/dbraw/zinc/58/08/50/962580850.db2.gz JBVQJMYOZOQECX-LJQANCHMSA-N 1 0 352.482 2.598 20 10 FFCDRO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276064034 1013386877 /nfs/dbraw/zinc/38/68/77/1013386877.db2.gz PBQSMMYPECBAIU-CQSZACIVSA-N 1 0 362.445 2.713 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(-c4cccnc4)ncn3)cc2)CC1 ZINC001167431401 963093963 /nfs/dbraw/zinc/09/39/63/963093963.db2.gz XWDJATMSZIKKNB-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO CCOC(=O)c1ccncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434883 963187466 /nfs/dbraw/zinc/18/74/66/963187466.db2.gz XVJLYCXOKWBTRM-UHFFFAOYSA-N 1 0 354.454 2.622 20 10 FFCDRO CCOC(=O)c1cc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167437397 963270523 /nfs/dbraw/zinc/27/05/23/963270523.db2.gz UOQWFXVOZDJSGX-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO CC(=O)Nc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC001167437611 963281680 /nfs/dbraw/zinc/28/16/80/963281680.db2.gz VDUXYXJKCZQVRM-UHFFFAOYSA-N 1 0 353.470 2.712 20 10 FFCDRO O=C1N(CC2CCOCC2)CC[C@]12CCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276086731 1013427002 /nfs/dbraw/zinc/42/70/02/1013427002.db2.gz SYRBTBZELJBOCC-HXUWFJFHSA-N 1 0 362.445 2.525 20 10 FFCDRO C[C@H](NC(=O)N1CC[NH2+]CCC12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000891440925 964065897 /nfs/dbraw/zinc/06/58/97/964065897.db2.gz KWQVAFWHNUURLK-KRWDZBQOSA-N 1 0 372.513 2.512 20 10 FFCDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1=O ZINC000894330711 964775806 /nfs/dbraw/zinc/77/58/06/964775806.db2.gz QJPNPFHPIWYVPK-HNNXBMFYSA-N 1 0 356.422 2.613 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)C3(C[NH3+])CCCCC3)C2)cc1 ZINC000892192764 966244864 /nfs/dbraw/zinc/24/48/64/966244864.db2.gz HIPBUTIFINBPTP-QGZVFWFLSA-N 1 0 374.529 2.825 20 10 FFCDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158329144 966527776 /nfs/dbraw/zinc/52/77/76/966527776.db2.gz CCESHSMYZATIEE-SJORKVTESA-N 1 0 366.477 2.756 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000067382600 967329579 /nfs/dbraw/zinc/32/95/79/967329579.db2.gz YZODQWORZWKDFC-HNNXBMFYSA-N 1 0 370.449 2.680 20 10 FFCDRO CCC(CC)[NH2+]CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892338886 967533508 /nfs/dbraw/zinc/53/35/08/967533508.db2.gz CGPGRJDXEVSGTO-INIZCTEOSA-N 1 0 362.518 2.662 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000892393200 968213740 /nfs/dbraw/zinc/21/37/40/968213740.db2.gz CNQHOUNABVRGMI-IBGZPJMESA-N 1 0 354.498 2.854 20 10 FFCDRO CCn1ccnc1[C@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895211186 968472815 /nfs/dbraw/zinc/47/28/15/968472815.db2.gz YJLZUBDRLUQAAB-MAUKXSAKSA-N 1 0 372.517 2.632 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3ccoc3)CC2)cc1 ZINC000177080078 968880984 /nfs/dbraw/zinc/88/09/84/968880984.db2.gz LCIMXQBFBYPABR-UHFFFAOYSA-N 1 0 371.481 2.549 20 10 FFCDRO COC1CCC(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000895309686 969127559 /nfs/dbraw/zinc/12/75/59/969127559.db2.gz PSIVPAADDRUPJS-KVZIAJEVSA-N 1 0 362.518 2.612 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000892526940 969367710 /nfs/dbraw/zinc/36/77/10/969367710.db2.gz CTCYUMSDLOCNEX-GOSISDBHSA-N 1 0 356.470 2.560 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000892730909 970259288 /nfs/dbraw/zinc/25/92/88/970259288.db2.gz TVMMHSYRQCSGLA-SNRMKQJTSA-N 1 0 364.461 2.808 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000892916711 970371160 /nfs/dbraw/zinc/37/11/60/970371160.db2.gz IDIHLOQORBKHJI-QGZVFWFLSA-N 1 0 361.486 2.697 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000892974342 970452827 /nfs/dbraw/zinc/45/28/27/970452827.db2.gz CAILKWLBTACVLY-CQSZACIVSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc(OC)c3O)C2)cc1F ZINC000895502919 970672829 /nfs/dbraw/zinc/67/28/29/970672829.db2.gz HOQLRULRUZXIFK-AWEZNQCLSA-N 1 0 360.385 2.831 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC000796551092 1014278665 /nfs/dbraw/zinc/27/86/65/1014278665.db2.gz SKZAHTLZFYXTTG-MJGOQNOKSA-N 1 0 361.486 2.622 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2c(C(F)(F)F)cnn2C)N(C)C)cc1 ZINC000898447001 976469337 /nfs/dbraw/zinc/46/93/37/976469337.db2.gz DKIBFXNOLNJKTF-INIZCTEOSA-N 1 0 369.435 2.897 20 10 FFCDRO CN(c1ccc(CNC(=O)c2cnc(C[NH3+])nc2)cc1)C1CCCCC1 ZINC000876742097 1014372669 /nfs/dbraw/zinc/37/26/69/1014372669.db2.gz VGTGMKCVBHDGNR-UHFFFAOYSA-N 1 0 353.470 2.634 20 10 FFCDRO Cc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000107927081 977304741 /nfs/dbraw/zinc/30/47/41/977304741.db2.gz RUCJNICRIXVZED-CALCHBBNSA-N 1 0 370.497 2.718 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3COc4ccccc4O3)cc2)CC1 ZINC000876907128 1014416092 /nfs/dbraw/zinc/41/60/92/1014416092.db2.gz BUPAAWAJPXYSOY-LJQANCHMSA-N 1 0 354.450 2.577 20 10 FFCDRO Cc1ccc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c(O)c1 ZINC000876921319 1014421899 /nfs/dbraw/zinc/42/18/99/1014421899.db2.gz BRKGDQLMRKEYIF-UHFFFAOYSA-N 1 0 353.466 2.893 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)c(O)c1 ZINC000876979973 1014439828 /nfs/dbraw/zinc/43/98/28/1014439828.db2.gz VUMGIWMIDQIHKB-UHFFFAOYSA-N 1 0 356.466 2.701 20 10 FFCDRO C[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccc(N2CCOCC2)cc1 ZINC000876986762 1014441643 /nfs/dbraw/zinc/44/16/43/1014441643.db2.gz KIPKEFLHNAQFPN-AWEZNQCLSA-N 1 0 363.408 2.931 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)[nH]c1C ZINC000876999881 1014445171 /nfs/dbraw/zinc/44/51/71/1014445171.db2.gz ZYEDWFOJXFANEE-UHFFFAOYSA-N 1 0 357.454 2.877 20 10 FFCDRO COc1ccc(C[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)c(O)c1 ZINC000894185316 978122752 /nfs/dbraw/zinc/12/27/52/978122752.db2.gz NNXKXEIKBGIJCN-UHFFFAOYSA-N 1 0 362.430 2.771 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)c1cccc(F)c1 ZINC000877082780 1014470525 /nfs/dbraw/zinc/47/05/25/1014470525.db2.gz CKVCHPCJELGPHC-BTYIYWSLSA-N 1 0 358.457 2.999 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000894233492 978359694 /nfs/dbraw/zinc/35/96/94/978359694.db2.gz CQEVHGGLMLMABL-HOJAQTOUSA-N 1 0 374.529 2.612 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c(O)c1OC ZINC000894264673 978502006 /nfs/dbraw/zinc/50/20/06/978502006.db2.gz NTYCDNWHJFAGNW-OAQYLSRUSA-N 1 0 357.450 2.936 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3conc3C)cc2F)CC1 ZINC000888746932 1014581540 /nfs/dbraw/zinc/58/15/40/1014581540.db2.gz ZLARFGMZTPLWAB-UHFFFAOYSA-N 1 0 361.421 2.586 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C ZINC001483168946 979662806 /nfs/dbraw/zinc/66/28/06/979662806.db2.gz LBASECDLFZFXTK-AYOQOUSVSA-N 1 0 353.466 2.797 20 10 FFCDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877480748 1014595035 /nfs/dbraw/zinc/59/50/35/1014595035.db2.gz GYBIWLVNKYQHBJ-SFHVURJKSA-N 1 0 354.498 2.761 20 10 FFCDRO CC(=O)NCc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877619999 1014648495 /nfs/dbraw/zinc/64/84/95/1014648495.db2.gz AULLPMHZBMPOTI-UHFFFAOYSA-N 1 0 367.493 2.574 20 10 FFCDRO [NH3+]Cc1ccccc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000904667538 980324429 /nfs/dbraw/zinc/32/44/29/980324429.db2.gz ZGFJYSKJDUABDE-UHFFFAOYSA-N 1 0 372.444 2.567 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COc4cc(F)ccc4C3)cc2)CC1 ZINC000877630834 1014652837 /nfs/dbraw/zinc/65/28/37/1014652837.db2.gz NOGIDMNGOKBFBQ-SFHVURJKSA-N 1 0 356.441 2.880 20 10 FFCDRO NC(=O)CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877639363 1014656894 /nfs/dbraw/zinc/65/68/94/1014656894.db2.gz HIJSPACPIRETQN-UHFFFAOYSA-N 1 0 359.514 2.563 20 10 FFCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001272048997 980725218 /nfs/dbraw/zinc/72/52/18/980725218.db2.gz PHBSXRKXKZOVOO-HXUWFJFHSA-N 1 0 360.454 2.674 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000841652013 980760016 /nfs/dbraw/zinc/76/00/16/980760016.db2.gz CMNQSMTWAIQHKE-UHFFFAOYSA-N 1 0 356.514 2.705 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897572229 982290793 /nfs/dbraw/zinc/29/07/93/982290793.db2.gz OVVZMYVBJNPNGJ-MOPGFXCFSA-N 1 0 353.466 2.879 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1O ZINC000897577561 982315028 /nfs/dbraw/zinc/31/50/28/982315028.db2.gz SOKRUYNGDUZMDE-MSOLQXFVSA-N 1 0 369.465 2.545 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955322 982466052 /nfs/dbraw/zinc/46/60/52/982466052.db2.gz ZCGKKEGBGYOCET-HXUWFJFHSA-N 1 0 352.482 2.727 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000841963061 982476487 /nfs/dbraw/zinc/47/64/87/982476487.db2.gz VIOUJNRTPZWMCC-UHFFFAOYSA-N 1 0 358.461 2.724 20 10 FFCDRO C[C@H]1CC2(CC(NC(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)C2)CO1 ZINC000897789076 982517151 /nfs/dbraw/zinc/51/71/51/982517151.db2.gz FGBOCLMQVDIHOL-DFPSAMBMSA-N 1 0 374.529 2.612 20 10 FFCDRO CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142520507 982527003 /nfs/dbraw/zinc/52/70/03/982527003.db2.gz KZVRFTAGHYOSJF-UHFFFAOYSA-N 1 0 365.428 2.508 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccnn3[C@H]3CCCOC3)cc2)CC1 ZINC000898095202 982609515 /nfs/dbraw/zinc/60/95/15/982609515.db2.gz MWPXLQWUVSHNLD-IBGZPJMESA-N 1 0 355.486 2.599 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)CC1(O)CCCCC1)C[C@H]1CCCO1 ZINC000878240589 1014940582 /nfs/dbraw/zinc/94/05/82/1014940582.db2.gz IPZWIFIDYQWSEJ-RTBURBONSA-N 1 0 363.498 2.819 20 10 FFCDRO C[C@@H](F)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107057142 983872302 /nfs/dbraw/zinc/87/23/02/983872302.db2.gz OKRFNBHSLFATNM-UMVBOHGHSA-N 1 0 363.437 2.895 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c1 ZINC000185427563 983878732 /nfs/dbraw/zinc/87/87/32/983878732.db2.gz QQXPAVAFOUUWKZ-HKUYNNGSSA-N 1 0 370.493 2.995 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1C(C)C ZINC000028791863 983955052 /nfs/dbraw/zinc/95/50/52/983955052.db2.gz ACWAXFNWOIWCQL-UHFFFAOYSA-N 1 0 373.541 2.954 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[C@@H](C)O3)CC2(C)C)cc1C ZINC000996334973 984318325 /nfs/dbraw/zinc/31/83/25/984318325.db2.gz SKNPFORWUVKKHL-LZQZEXGQSA-N 1 0 360.498 2.898 20 10 FFCDRO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000164096283 984327103 /nfs/dbraw/zinc/32/71/03/984327103.db2.gz UZZLQDBAWYKWQG-UHFFFAOYSA-N 1 0 372.465 2.804 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC=C(F)C1 ZINC000764739356 984691775 /nfs/dbraw/zinc/69/17/75/984691775.db2.gz RVIYAICKBBXTAS-UHFFFAOYSA-N 1 0 372.488 2.987 20 10 FFCDRO c1ccc2c(c1)OC[C@@H](CC[NH2+]Cc1ccc(N3CCOCC3)cc1)O2 ZINC000765264663 985007721 /nfs/dbraw/zinc/00/77/21/985007721.db2.gz AYBPSPHXVUUQQP-LJQANCHMSA-N 1 0 354.450 2.843 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]3CCCC[C@@H]31)cc2=O ZINC000171561375 985311626 /nfs/dbraw/zinc/31/16/26/985311626.db2.gz YOXAIRPTBGWXDP-BBRMVZONSA-N 1 0 358.442 2.766 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)ccc21 ZINC000171669423 985359942 /nfs/dbraw/zinc/35/99/42/985359942.db2.gz SYTKXORBXKTUOV-LJQANCHMSA-N 1 0 356.514 2.839 20 10 FFCDRO C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000172635032 985633406 /nfs/dbraw/zinc/63/34/06/985633406.db2.gz DJTZBIWWHPKARL-HRCADAONSA-N 1 0 363.477 2.540 20 10 FFCDRO Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c(C)n1-c1ccccc1C ZINC000913682358 986820066 /nfs/dbraw/zinc/82/00/66/986820066.db2.gz CDAAQGNZCYRCTH-UHFFFAOYSA-N 1 0 369.509 2.931 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1Cn1cccn1 ZINC000922870341 988969907 /nfs/dbraw/zinc/96/99/07/988969907.db2.gz JQSKNZKGYZPYRE-LUPIEILUSA-N 1 0 357.454 2.712 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000186955516 989459893 /nfs/dbraw/zinc/45/98/93/989459893.db2.gz AVNYDIIBIOYPCH-ZWKOTPCHSA-N 1 0 355.482 2.621 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CC(=O)NC(=O)NC2CCCCC2)C2CC2)cc1 ZINC000917417557 990215184 /nfs/dbraw/zinc/21/51/84/990215184.db2.gz LUHXQIRMJUDKJA-UHFFFAOYSA-N 1 0 372.513 2.876 20 10 FFCDRO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154744252 990417380 /nfs/dbraw/zinc/41/73/80/990417380.db2.gz PFYASKNGKXQWMF-HNNXBMFYSA-N 1 0 358.461 2.974 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000919790944 990730591 /nfs/dbraw/zinc/73/05/91/990730591.db2.gz UGCZSKBGIFQMME-QZTJIDSGSA-N 1 0 374.529 2.585 20 10 FFCDRO COc1ccc(CNCc2cc(C3CC3)n(C)n2)cc1Cn1cccn1 ZINC000922954727 990767046 /nfs/dbraw/zinc/76/70/46/990767046.db2.gz ILMOQIJFDVNBIH-UHFFFAOYSA-N 1 0 351.454 2.841 20 10 FFCDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000920277813 990825818 /nfs/dbraw/zinc/82/58/18/990825818.db2.gz KETYOBDMBJWUFQ-FUHIMQAGSA-N 1 0 374.529 2.536 20 10 FFCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000920922003 990932895 /nfs/dbraw/zinc/93/28/95/990932895.db2.gz YMVUMEVBORTGFE-QZTJIDSGSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000923422774 991133086 /nfs/dbraw/zinc/13/30/86/991133086.db2.gz MYBCWQIORQEGCK-JOCHJYFZSA-N 1 0 367.493 2.678 20 10 FFCDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000181833971 991889616 /nfs/dbraw/zinc/88/96/16/991889616.db2.gz VKODRDYDEOSXFJ-UHFFFAOYSA-N 1 0 355.438 2.800 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001237779858 992712382 /nfs/dbraw/zinc/71/23/82/992712382.db2.gz JOGUGZDGWZECRJ-ZDUSSCGKSA-N 1 0 372.250 2.667 20 10 FFCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)CC(C)(CO)CO ZINC000809577978 994542271 /nfs/dbraw/zinc/54/22/71/994542271.db2.gz DPLBICMKLJXELQ-UHFFFAOYSA-N 1 0 354.494 2.672 20 10 FFCDRO Cc1noc([C@H]2CCCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000809717998 994591914 /nfs/dbraw/zinc/59/19/14/994591914.db2.gz DMDIQRVAIPQRNG-LJQANCHMSA-N 1 0 355.486 2.857 20 10 FFCDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809746047 994601997 /nfs/dbraw/zinc/60/19/97/994601997.db2.gz LMXATYLIXYECIG-UHFFFAOYSA-N 1 0 361.461 2.819 20 10 FFCDRO CN1c2ccccc2N(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC000809786107 994612234 /nfs/dbraw/zinc/61/22/34/994612234.db2.gz PKUZUZHNSDPHLM-UHFFFAOYSA-N 1 0 364.493 2.812 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ncccc3O)C2)cc1C ZINC001086680093 994833711 /nfs/dbraw/zinc/83/37/11/994833711.db2.gz YUNSPWZACRDEFP-DLBZAZTESA-N 1 0 369.465 2.793 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C)[nH]c3=O)C[C@H]2C)cc1C ZINC001082764825 995445159 /nfs/dbraw/zinc/44/51/59/995445159.db2.gz JUABCEXSDAIPKI-RDTXWAMCSA-N 1 0 369.465 2.663 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]3(C)CCCOC3)C[C@H]2C)cc1C ZINC001082828182 995588396 /nfs/dbraw/zinc/58/83/96/995588396.db2.gz XCKVRQXBIZEISC-HGHGUNKESA-N 1 0 360.498 2.757 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000824529551 996974916 /nfs/dbraw/zinc/97/49/16/996974916.db2.gz MOUFLUNVZJYXKT-QGZVFWFLSA-N 1 0 362.514 2.995 20 10 FFCDRO OC[C@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccccc1 ZINC000824636833 997021863 /nfs/dbraw/zinc/02/18/63/997021863.db2.gz UGOHQUYOQVYKMC-FGZHOGPDSA-N 1 0 370.468 2.823 20 10 FFCDRO CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000824681771 997050603 /nfs/dbraw/zinc/05/06/03/997050603.db2.gz OTAWHENHAFRNLX-MSOLQXFVSA-N 1 0 374.529 2.647 20 10 FFCDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC001136929104 997072040 /nfs/dbraw/zinc/07/20/40/997072040.db2.gz JKENRSILPCYAOB-IFXJQAMLSA-N 1 0 360.479 2.901 20 10 FFCDRO c1cc([C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CCO2)ccn1 ZINC000824948558 997155007 /nfs/dbraw/zinc/15/50/07/997155007.db2.gz RFLCNETYSWMUNO-PZJWPPBQSA-N 1 0 353.466 2.928 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000825131823 997228001 /nfs/dbraw/zinc/22/80/01/997228001.db2.gz UEVDYFRCGCZOTI-UHFFFAOYSA-N 1 0 358.413 2.739 20 10 FFCDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000730823451 997490260 /nfs/dbraw/zinc/49/02/60/997490260.db2.gz LCCBUFIXLOSCEY-HDICACEKSA-N 1 0 374.529 2.585 20 10 FFCDRO CC(C)([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000844174381 997694727 /nfs/dbraw/zinc/69/47/27/997694727.db2.gz ZJRQZAHANQJYKI-UHFFFAOYSA-N 1 0 373.419 2.676 20 10 FFCDRO C[C@H]1CC[NH2+][C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000844177720 997696266 /nfs/dbraw/zinc/69/62/66/997696266.db2.gz FRHUNZNSBZWQEP-GUYCJALGSA-N 1 0 367.440 2.761 20 10 FFCDRO Cc1cc([C@H]([NH3+])CC(=O)N2CCOc3cc(N(C)C)ccc32)cc(Cl)n1 ZINC000844191103 997699236 /nfs/dbraw/zinc/69/92/36/997699236.db2.gz RERAYAXSIPZRPE-OAHLLOKOSA-N 1 0 374.872 2.925 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)Nc2cc(N)ccc2F)cc1 ZINC000844400634 997861074 /nfs/dbraw/zinc/86/10/74/997861074.db2.gz DYJWPKVHMRYFSW-UHFFFAOYSA-N 1 0 374.460 2.813 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)cc1F ZINC000731404491 997892844 /nfs/dbraw/zinc/89/28/44/997892844.db2.gz NBPQYUYKYFXXET-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001144091080 998005796 /nfs/dbraw/zinc/00/57/96/998005796.db2.gz MEYGVTDCYZOYOJ-UHFFFAOYSA-N 1 0 369.425 2.719 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000845023350 998300162 /nfs/dbraw/zinc/30/01/62/998300162.db2.gz TUPDSZLASZYVGH-FUHWJXTLSA-N 1 0 362.518 2.646 20 10 FFCDRO Oc1ccc(Br)cc1CNc1cc[nH+]c(N2CCOCC2)c1 ZINC001171175885 998509258 /nfs/dbraw/zinc/50/92/58/998509258.db2.gz SPJOKWZMJXKODN-UHFFFAOYSA-N 1 0 364.243 2.998 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504646 998612406 /nfs/dbraw/zinc/61/24/06/998612406.db2.gz YMQDBRYOEKHYBB-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001144515206 998627330 /nfs/dbraw/zinc/62/73/30/998627330.db2.gz HYBWIJKGOWQYAL-RYUDHWBXSA-N 1 0 352.431 2.633 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]12 ZINC001144515826 998627690 /nfs/dbraw/zinc/62/76/90/998627690.db2.gz GKFDXHDZIZPFGM-UXIGCNINSA-N 1 0 364.442 2.539 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732447617 998661774 /nfs/dbraw/zinc/66/17/74/998661774.db2.gz HDCFPHVHDFMIEW-IBGZPJMESA-N 1 0 374.554 2.618 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)C1 ZINC000845949117 998690104 /nfs/dbraw/zinc/69/01/04/998690104.db2.gz GWKJHLQVOIBEEX-MRXNPFEDSA-N 1 0 364.449 2.819 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734671005 999316061 /nfs/dbraw/zinc/31/60/61/999316061.db2.gz NLYGTWDVFSTYFD-HXUWFJFHSA-N 1 0 374.529 2.504 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cnoc2)cc1C ZINC001085307115 999332178 /nfs/dbraw/zinc/33/21/78/999332178.db2.gz GRTFHCXNPVBKTR-QZTJIDSGSA-N 1 0 357.454 2.751 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@]2(F)CCOC2)cc1C ZINC001085310115 999339791 /nfs/dbraw/zinc/33/97/91/999339791.db2.gz OGUKIFYEOZELFC-HLIPFELVSA-N 1 0 364.461 2.649 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)n2C)cc1C ZINC001085310769 999341537 /nfs/dbraw/zinc/34/15/37/999341537.db2.gz ONGNQGXFFVRBLK-QZTJIDSGSA-N 1 0 370.497 2.876 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccco3)cc2F)CC1 ZINC000741562945 999730917 /nfs/dbraw/zinc/73/09/17/999730917.db2.gz TYLCZYPPEZAIKT-HNNXBMFYSA-N 1 0 359.445 2.981 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000743564205 999823420 /nfs/dbraw/zinc/82/34/20/999823420.db2.gz FXXOEXZRVJQBKW-YLJYHZDGSA-N 1 0 374.529 2.710 20 10 FFCDRO CN(C(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000743627311 999826863 /nfs/dbraw/zinc/82/68/63/999826863.db2.gz YYODJAZDQXAPRB-OAHLLOKOSA-N 1 0 373.478 2.872 20 10 FFCDRO Cc1nonc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000766577067 1000018757 /nfs/dbraw/zinc/01/87/57/1000018757.db2.gz KSVSSDDCWKOWRG-UHFFFAOYSA-N 1 0 353.426 2.738 20 10 FFCDRO [NH3+]Cc1ccc2c(n1)N(c1cc(Br)cc3c1NC(=O)C3)CCC2 ZINC001169590242 1000060114 /nfs/dbraw/zinc/06/01/14/1000060114.db2.gz CADSZFKRAFBZBI-UHFFFAOYSA-N 1 0 373.254 2.882 20 10 FFCDRO CCOC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001169680736 1000068126 /nfs/dbraw/zinc/06/81/26/1000068126.db2.gz YFWHROXWZMMXML-QGZVFWFLSA-N 1 0 361.486 2.828 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(OC)c(O)c(OC)c2)cc1 ZINC000846053158 1000198253 /nfs/dbraw/zinc/19/82/53/1000198253.db2.gz WFNHWDUFFKOZQM-UHFFFAOYSA-N 1 0 360.454 2.986 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC3(C)C)CC2)cc1 ZINC000806022495 1000258575 /nfs/dbraw/zinc/25/85/75/1000258575.db2.gz XHEPWXKADDKLBM-LJQANCHMSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)nnn4C)CC2)cc1 ZINC000768537195 1000289047 /nfs/dbraw/zinc/28/90/47/1000289047.db2.gz ZILXAZRLMIZBKM-UHFFFAOYSA-N 1 0 351.454 2.689 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000768539216 1000289612 /nfs/dbraw/zinc/28/96/12/1000289612.db2.gz SZKRPAXGBHVHTJ-OAHLLOKOSA-N 1 0 355.438 2.955 20 10 FFCDRO COC(=O)CN1CCC([NH2+]CCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000768515400 1000293673 /nfs/dbraw/zinc/29/36/73/1000293673.db2.gz FWMGYJUOUPVUNE-UHFFFAOYSA-N 1 0 369.509 2.864 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000846664345 1000403885 /nfs/dbraw/zinc/40/38/85/1000403885.db2.gz YDGIRIGWTJWWFS-OWCLPIDISA-N 1 0 373.419 2.616 20 10 FFCDRO CCO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C[C@H]1C[NH3+] ZINC000846694942 1000412009 /nfs/dbraw/zinc/41/20/09/1000412009.db2.gz DZTKXFMXUSWQSP-OXQOHEQNSA-N 1 0 371.481 2.539 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000769007787 1000415768 /nfs/dbraw/zinc/41/57/68/1000415768.db2.gz WQCOMMYBWGVQNT-IEBWSBKVSA-N 1 0 361.530 2.896 20 10 FFCDRO Cc1ccc(CC(=O)N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000769301040 1000487966 /nfs/dbraw/zinc/48/79/66/1000487966.db2.gz GAARSUXLAPCZDF-UHFFFAOYSA-N 1 0 351.494 2.948 20 10 FFCDRO CCOc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000769534550 1000543647 /nfs/dbraw/zinc/54/36/47/1000543647.db2.gz VZONWLHAKABJAH-UHFFFAOYSA-N 1 0 354.406 2.519 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)n1 ZINC000771389754 1001098774 /nfs/dbraw/zinc/09/87/74/1001098774.db2.gz LXBUKYRSXLNVCO-INIZCTEOSA-N 1 0 373.522 2.784 20 10 FFCDRO COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(N3CC[NH+](C)CC3)cc1)N2 ZINC000771518066 1001134373 /nfs/dbraw/zinc/13/43/73/1001134373.db2.gz MVZLLVBFAGTUCA-HXUWFJFHSA-N 1 0 366.465 2.643 20 10 FFCDRO NC(=[NH2+])Nc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cc1 ZINC001148651242 1001179875 /nfs/dbraw/zinc/17/98/75/1001179875.db2.gz BARJGHUOKAMAIQ-UHFFFAOYSA-N 1 0 369.812 2.829 20 10 FFCDRO CCc1cc(C[N@@H+]2CCCN(CCOC)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000787249918 1001676476 /nfs/dbraw/zinc/67/64/76/1001676476.db2.gz LAGWPYMZTFXMGW-UHFFFAOYSA-N 1 0 362.514 2.933 20 10 FFCDRO COCC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000787334391 1001683124 /nfs/dbraw/zinc/68/31/24/1001683124.db2.gz LCJMECTWNHVZIL-KRWDZBQOSA-N 1 0 363.458 2.822 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000788537918 1001816824 /nfs/dbraw/zinc/81/68/24/1001816824.db2.gz YYBVCLSOSNXWNH-LPHOPBHVSA-N 1 0 363.458 2.869 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000774485488 1001927653 /nfs/dbraw/zinc/92/76/53/1001927653.db2.gz VFWISWNBUXMKLP-LSDHHAIUSA-N 1 0 360.502 2.950 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)c(OC)c1 ZINC001183418960 1002267662 /nfs/dbraw/zinc/26/76/62/1002267662.db2.gz FVZAGECGGLOTHC-CXAGYDPISA-N 1 0 369.303 2.999 20 10 FFCDRO CC(C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+]1CCCC1 ZINC000790381797 1002346994 /nfs/dbraw/zinc/34/69/94/1002346994.db2.gz AZANGGREWBBLIO-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000791253677 1002625363 /nfs/dbraw/zinc/62/53/63/1002625363.db2.gz GXJDETSFXPPLIH-JOCHJYFZSA-N 1 0 369.509 2.931 20 10 FFCDRO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792463847 1003009346 /nfs/dbraw/zinc/00/93/46/1003009346.db2.gz FDFVYIOCTBUVFS-XLIONFOSSA-N 1 0 361.530 2.848 20 10 FFCDRO COc1cccc([C@H](CNC(=O)NCc2ccc(OC)cc2O)[NH+](C)C)c1 ZINC000792788231 1003178449 /nfs/dbraw/zinc/17/84/49/1003178449.db2.gz AOQRRSNZWPYQOY-SFHVURJKSA-N 1 0 373.453 2.512 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000792839579 1003205972 /nfs/dbraw/zinc/20/59/72/1003205972.db2.gz YCNJUQBOJGPAJU-HNNXBMFYSA-N 1 0 371.447 2.926 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000793388177 1003360090 /nfs/dbraw/zinc/36/00/90/1003360090.db2.gz OCGVUXTVODQPSD-GFCCVEGCSA-N 1 0 359.382 2.816 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000804812303 1003858351 /nfs/dbraw/zinc/85/83/51/1003858351.db2.gz GUWXKGXIGJXWAP-CSVMTYNTSA-N 1 0 359.426 2.844 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775837012 1004564961 /nfs/dbraw/zinc/56/49/61/1004564961.db2.gz QDSNTCQBEQCJAH-OAHLLOKOSA-N 1 0 368.481 2.744 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)cc1Br ZINC001205653040 1004657443 /nfs/dbraw/zinc/65/74/43/1004657443.db2.gz SFAHNZSWDHFGFM-VXGBXAGGSA-N 1 0 357.292 2.970 20 10 FFCDRO COc1ccc(OC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001194549327 1004757597 /nfs/dbraw/zinc/75/75/97/1004757597.db2.gz UDGIICFUZZWINW-UHFFFAOYSA-N 1 0 355.438 2.736 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1O ZINC000775643530 1004909809 /nfs/dbraw/zinc/90/98/09/1004909809.db2.gz QGGOPCXYISFBTK-UHFFFAOYSA-N 1 0 354.450 2.790 20 10 FFCDRO Cc1nc([C@H]2CCCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775659990 1004978266 /nfs/dbraw/zinc/97/82/66/1004978266.db2.gz QSUYCQDKYOTKEC-LJQANCHMSA-N 1 0 355.486 2.857 20 10 FFCDRO CCO[C@H]1C[C@@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000776161450 1005208641 /nfs/dbraw/zinc/20/86/41/1005208641.db2.gz WYTZUWOWQNJDKT-RTWAWAEBSA-N 1 0 373.541 2.755 20 10 FFCDRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776236636 1005305096 /nfs/dbraw/zinc/30/50/96/1005305096.db2.gz AFXFMKQUFWYKKZ-INIZCTEOSA-N 1 0 362.518 2.566 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccc(CO)c1 ZINC000776305590 1005355012 /nfs/dbraw/zinc/35/50/12/1005355012.db2.gz GTMRUFPOWUPLRA-OXQOHEQNSA-N 1 0 367.493 2.731 20 10 FFCDRO COc1ncc(/C=C\C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC000776311626 1005359042 /nfs/dbraw/zinc/35/90/42/1005359042.db2.gz STVIDQONRMULNP-JJEJIETFSA-N 1 0 350.422 2.510 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)CC1 ZINC000850073209 1005783013 /nfs/dbraw/zinc/78/30/13/1005783013.db2.gz YKTQUKFENNWUKI-UHFFFAOYSA-N 1 0 354.498 2.792 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cn(C4CCC4)nn3)cc2F)CC1 ZINC000850126749 1005788048 /nfs/dbraw/zinc/78/80/48/1005788048.db2.gz QRRIZQQQLQLJFX-UHFFFAOYSA-N 1 0 372.492 2.574 20 10 FFCDRO Cc1nc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]c1C ZINC000850234308 1005797555 /nfs/dbraw/zinc/79/75/55/1005797555.db2.gz DYDRFJODKHWHLL-UHFFFAOYSA-N 1 0 353.514 2.848 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)C2)cc1 ZINC000850347846 1005809066 /nfs/dbraw/zinc/80/90/66/1005809066.db2.gz YUJSHYGMGSCEHF-SFHVURJKSA-N 1 0 365.477 2.973 20 10 FFCDRO COc1cccc(C[NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)c1O ZINC000850389581 1005812586 /nfs/dbraw/zinc/81/25/86/1005812586.db2.gz ZRJPFKZLVJMNCR-UHFFFAOYSA-N 1 0 367.493 2.845 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cn4cccc(F)c4n3)cc2)CC1 ZINC000850405774 1005813790 /nfs/dbraw/zinc/81/37/90/1005813790.db2.gz CZMPXILWFVKWHJ-UHFFFAOYSA-N 1 0 354.429 2.724 20 10 FFCDRO CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000851657434 1005903805 /nfs/dbraw/zinc/90/38/05/1005903805.db2.gz AONWKDXHJHXURS-ZDUSSCGKSA-N 1 0 370.444 2.636 20 10 FFCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000813613386 1005993956 /nfs/dbraw/zinc/99/39/56/1005993956.db2.gz NRESTLDRIIFMBR-OAHLLOKOSA-N 1 0 362.493 2.908 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000852452936 1006034406 /nfs/dbraw/zinc/03/44/06/1006034406.db2.gz FSAUELXTEUVLGF-ZWKOTPCHSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000852465944 1006041905 /nfs/dbraw/zinc/04/19/05/1006041905.db2.gz NRRHJAFVCMAMCA-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1C=CCC1 ZINC000852512705 1006062333 /nfs/dbraw/zinc/06/23/33/1006062333.db2.gz ZXGHFLYZWNTDNU-LJQANCHMSA-N 1 0 354.498 2.736 20 10 FFCDRO COc1ccc(OC(C)(C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000852792053 1006185822 /nfs/dbraw/zinc/18/58/22/1006185822.db2.gz PSDIDANAUMUUPA-IBGZPJMESA-N 1 0 371.481 2.735 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)cc1F ZINC000852815079 1006196769 /nfs/dbraw/zinc/19/67/69/1006196769.db2.gz VNCBDBVHIXQNCB-LJQANCHMSA-N 1 0 369.440 2.718 20 10 FFCDRO [NH3+]CC1(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000852868936 1006214033 /nfs/dbraw/zinc/21/40/33/1006214033.db2.gz PYSPQQNYTFJVQM-UHFFFAOYSA-N 1 0 359.514 2.563 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2F)C[C@H](C)O1 ZINC000853098423 1006295493 /nfs/dbraw/zinc/29/54/93/1006295493.db2.gz JDKNQNGDJYBGHJ-MDOVXXIYSA-N 1 0 359.445 2.658 20 10 FFCDRO CC1(C)NC(=O)N(CCC[N@H+](Cc2ccco2)Cc2ccccc2O)C1=O ZINC000111232727 1006360538 /nfs/dbraw/zinc/36/05/38/1006360538.db2.gz KMNXJEFOTZJZRT-UHFFFAOYSA-N 1 0 371.437 2.708 20 10 FFCDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1cccc(O)c1O ZINC000882395637 1006383939 /nfs/dbraw/zinc/38/39/39/1006383939.db2.gz VYQNQGUGAMEICP-INIZCTEOSA-N 1 0 353.422 2.635 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@H]1c1ccco1)[C@@H](O)CO2 ZINC000853549804 1006440214 /nfs/dbraw/zinc/44/02/14/1006440214.db2.gz ITOALYKQIDSPSE-QFBILLFUSA-N 1 0 357.406 2.765 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC001134681952 1006443832 /nfs/dbraw/zinc/44/38/32/1006443832.db2.gz ODWKRQANCLUNKL-QUCCMNQESA-N 1 0 367.493 2.723 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2c(F)cccc2F)[NH+](C)C)cc1 ZINC001134883260 1006526393 /nfs/dbraw/zinc/52/63/93/1006526393.db2.gz ZZSZBOGBTVJNTP-IBGZPJMESA-N 1 0 361.436 2.992 20 10 FFCDRO O=c1oc2ccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)cc2o1 ZINC000882917483 1006560880 /nfs/dbraw/zinc/56/08/80/1006560880.db2.gz NPBITINEKCVUSR-UHFFFAOYSA-N 1 0 372.396 2.776 20 10 FFCDRO CCNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775178935 1006612691 /nfs/dbraw/zinc/61/26/91/1006612691.db2.gz CYOFMJMHOXKMOO-UHFFFAOYSA-N 1 0 352.482 2.800 20 10 FFCDRO CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854296130 1006761076 /nfs/dbraw/zinc/76/10/76/1006761076.db2.gz HCESREDGUIZHGC-INIZCTEOSA-N 1 0 362.518 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000854302030 1006767109 /nfs/dbraw/zinc/76/71/09/1006767109.db2.gz WWFGPVZZTOOYSB-IEBWSBKVSA-N 1 0 372.513 2.544 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883370934 1006769113 /nfs/dbraw/zinc/76/91/13/1006769113.db2.gz VLUQUVRVBDMRNY-IFMALSPDSA-N 1 0 374.573 2.590 20 10 FFCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775253921 1007092116 /nfs/dbraw/zinc/09/21/16/1007092116.db2.gz CKLPMVBQXLVUID-NQIIRXRSSA-N 1 0 370.493 2.922 20 10 FFCDRO Cc1cc(-c2nc3ccccc3n2C)c(-c2cnn(CC[NH+](C)C)c2)nn1 ZINC001206332592 1032235215 /nfs/dbraw/zinc/23/52/15/1032235215.db2.gz LDJQIRNQVKXDAQ-UHFFFAOYSA-N 1 0 361.453 2.764 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000775373899 1007567663 /nfs/dbraw/zinc/56/76/63/1007567663.db2.gz ZNMCWJAZXFMRQN-GFCCVEGCSA-N 1 0 357.410 2.649 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001086808385 1007679178 /nfs/dbraw/zinc/67/91/78/1007679178.db2.gz DSCSRCCEFJUCCD-MERXZDIISA-N 1 0 372.509 2.946 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCCC1 ZINC000856210730 1007726226 /nfs/dbraw/zinc/72/62/26/1007726226.db2.gz OMJANHUFQTVMPX-NRFANRHFSA-N 1 0 373.541 2.774 20 10 FFCDRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000775403241 1007748257 /nfs/dbraw/zinc/74/82/57/1007748257.db2.gz HVKOFKLCQVCQIU-JTSKRJEESA-N 1 0 367.493 2.567 20 10 FFCDRO COc1ccc(N2CCN(CCN[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000817894945 1007802331 /nfs/dbraw/zinc/80/23/31/1007802331.db2.gz PJNFEJFEUHLDKL-VXKWHMMOSA-N 1 0 366.509 2.552 20 10 FFCDRO C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901202 1007804076 /nfs/dbraw/zinc/80/40/76/1007804076.db2.gz UWWDZUHUJWGUID-PMPSAXMXSA-N 1 0 369.456 2.613 20 10 FFCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000885935573 1007842661 /nfs/dbraw/zinc/84/26/61/1007842661.db2.gz NZCQJLXMESIOHT-CMKODMSKSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001170896696 1007895223 /nfs/dbraw/zinc/89/52/23/1007895223.db2.gz ZJWLEEJHARXTLE-MDKPJZGXSA-N 1 0 360.498 2.805 20 10 FFCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C[C@H]2C1 ZINC000818329655 1007902643 /nfs/dbraw/zinc/90/26/43/1007902643.db2.gz BFHIHZUHFLKBQE-WXRGLTTHSA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000114589235 1007969040 /nfs/dbraw/zinc/96/90/40/1007969040.db2.gz AKJIDGGDKDVYNF-SFHVURJKSA-N 1 0 369.465 2.865 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000819002415 1008005389 /nfs/dbraw/zinc/00/53/89/1008005389.db2.gz LROURPQFVPRTPA-UHFFFAOYSA-N 1 0 358.442 2.579 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000857065821 1008049462 /nfs/dbraw/zinc/04/94/62/1008049462.db2.gz AURGWOUVEJZNCJ-UHFFFAOYSA-N 1 0 370.472 2.621 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC000819590006 1008186857 /nfs/dbraw/zinc/18/68/57/1008186857.db2.gz HYPPPXWYOWBBRA-OAHLLOKOSA-N 1 0 350.422 2.599 20 10 FFCDRO CC1CCC([NH+]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)CC1 ZINC000115565786 1008205194 /nfs/dbraw/zinc/20/51/94/1008205194.db2.gz CZKBLWVBSYRTSH-UHFFFAOYSA-N 1 0 372.557 2.565 20 10 FFCDRO COc1cc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c(O)cc1C ZINC000819900355 1008246408 /nfs/dbraw/zinc/24/64/08/1008246408.db2.gz BRBIQSXABWVKRN-UHFFFAOYSA-N 1 0 368.433 2.827 20 10 FFCDRO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC000858011979 1008276940 /nfs/dbraw/zinc/27/69/40/1008276940.db2.gz VBYFRFZDYBZHEL-HXUWFJFHSA-N 1 0 353.466 2.880 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)cc1F ZINC000858154255 1008313305 /nfs/dbraw/zinc/31/33/05/1008313305.db2.gz BTACOBVTXVOTSA-AWEZNQCLSA-N 1 0 365.399 2.604 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4oc(=O)n(C)c4c3)CC2)cc1 ZINC000858293802 1008341359 /nfs/dbraw/zinc/34/13/59/1008341359.db2.gz HKXBUSXNKPJFJZ-UHFFFAOYSA-N 1 0 367.449 2.899 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1 ZINC000858488227 1008367567 /nfs/dbraw/zinc/36/75/67/1008367567.db2.gz CXJWHNVCXWNFPI-WMZOPIPTSA-N 1 0 365.485 2.510 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858490564 1008368505 /nfs/dbraw/zinc/36/85/05/1008368505.db2.gz ZKRUZMMWDJVEEY-ZFWWWQNUSA-N 1 0 372.860 2.803 20 10 FFCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858504746 1008370969 /nfs/dbraw/zinc/37/09/69/1008370969.db2.gz XODGHQDGKUASAZ-PBHICJAKSA-N 1 0 362.445 2.965 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000821066162 1008412218 /nfs/dbraw/zinc/41/22/18/1008412218.db2.gz VXQYPUMBZHKJFL-ARFHVFGLSA-N 1 0 374.872 2.653 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000858766572 1008418980 /nfs/dbraw/zinc/41/89/80/1008418980.db2.gz OXEFHSRFABWYJI-GOSISDBHSA-N 1 0 351.450 2.873 20 10 FFCDRO COC(=O)[C@@]1(OC)CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859561833 1008561329 /nfs/dbraw/zinc/56/13/29/1008561329.db2.gz OWBMIBVJPKWPSJ-OAQYLSRUSA-N 1 0 370.449 2.541 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000777117652 1008628112 /nfs/dbraw/zinc/62/81/12/1008628112.db2.gz XUKWFUWYQMZYFY-DOXZYTNZSA-N 1 0 355.486 2.721 20 10 FFCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324919 1008637619 /nfs/dbraw/zinc/63/76/19/1008637619.db2.gz LWLLADHTXIXGCQ-QUCCMNQESA-N 1 0 359.514 2.682 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000822692422 1008736818 /nfs/dbraw/zinc/73/68/18/1008736818.db2.gz ZETRFDREDPKIOH-ZWKOTPCHSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)c1 ZINC000138502308 1008781118 /nfs/dbraw/zinc/78/11/18/1008781118.db2.gz SPDLRGGZJHTSGH-AWEZNQCLSA-N 1 0 358.438 2.837 20 10 FFCDRO Cn1cc(Cl)c(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC001178203801 1008906149 /nfs/dbraw/zinc/90/61/49/1008906149.db2.gz FDNJLTMVVZSEPY-UHFFFAOYSA-N 1 0 373.932 2.895 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823121062 1008927601 /nfs/dbraw/zinc/92/76/01/1008927601.db2.gz SDEYUWWZLQMXCX-HXUWFJFHSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000823244286 1008991967 /nfs/dbraw/zinc/99/19/67/1008991967.db2.gz VJCIDCGVMSKCDQ-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC000823634043 1009150602 /nfs/dbraw/zinc/15/06/02/1009150602.db2.gz VYIQQUWYSAYURT-SJORKVTESA-N 1 0 362.518 2.549 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000823776110 1009224092 /nfs/dbraw/zinc/22/40/92/1009224092.db2.gz KEWABGLBOKITDI-UZLBHIALSA-N 1 0 357.498 2.655 20 10 FFCDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCOCC1 ZINC000861669570 1009503940 /nfs/dbraw/zinc/50/39/40/1009503940.db2.gz XBTDDSRVNGWNET-UHFFFAOYSA-N 1 0 361.486 2.744 20 10 FFCDRO CCc1nsc(N2CCC[N@H+](Cc3c(C)cc(OC)cc3O)CC2)n1 ZINC001179961815 1009526182 /nfs/dbraw/zinc/52/61/82/1009526182.db2.gz HRDAILUEKYZWPE-UHFFFAOYSA-N 1 0 362.499 2.835 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC001180351942 1009644210 /nfs/dbraw/zinc/64/42/10/1009644210.db2.gz DSFHTZCXXACYMB-OAQYLSRUSA-N 1 0 373.541 2.775 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000862536348 1009867109 /nfs/dbraw/zinc/86/71/09/1009867109.db2.gz JQAFIMKWWAYTPV-UHFFFAOYSA-N 1 0 355.438 2.561 20 10 FFCDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(N(C)CC)cc3)CC2)n1 ZINC000773893710 1009946119 /nfs/dbraw/zinc/94/61/19/1009946119.db2.gz CIENEZXSMRSUIZ-UHFFFAOYSA-N 1 0 371.485 2.817 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(C)(CC(F)F)C3)cc2)CC1 ZINC000889661137 1010044549 /nfs/dbraw/zinc/04/45/49/1010044549.db2.gz RSUXIRZQFVTBCM-UHFFFAOYSA-N 1 0 366.456 2.625 20 10 FFCDRO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093240793 1010147012 /nfs/dbraw/zinc/14/70/12/1010147012.db2.gz HZRPVYXVEYJTGD-CZUORRHYSA-N 1 0 357.458 2.947 20 10 FFCDRO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001093240991 1010149519 /nfs/dbraw/zinc/14/95/19/1010149519.db2.gz RTOOTXJKCMQFFK-CZUORRHYSA-N 1 0 357.458 2.947 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC001181656722 1010200444 /nfs/dbraw/zinc/20/04/44/1010200444.db2.gz UKDBSGQBACXEJX-RDJZCZTQSA-N 1 0 354.516 2.713 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@H]2C)cc1C ZINC001093619797 1010355049 /nfs/dbraw/zinc/35/50/49/1010355049.db2.gz YFBKUAYIALSCCZ-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C)on3)C[C@H]2C)cc1C ZINC001093625427 1010382961 /nfs/dbraw/zinc/38/29/61/1010382961.db2.gz ZBVSQRJNTMCMDG-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000865690182 1010843347 /nfs/dbraw/zinc/84/33/47/1010843347.db2.gz XHMGFARYFQUQCA-UHFFFAOYSA-N 1 0 356.466 2.912 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(O)c1 ZINC000866520980 1011008180 /nfs/dbraw/zinc/00/81/80/1011008180.db2.gz HJWGFOLFNUZDLU-AWEZNQCLSA-N 1 0 353.422 2.603 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(C)cc1O ZINC000866521216 1011008552 /nfs/dbraw/zinc/00/85/52/1011008552.db2.gz IMZWDKDMYJDQME-GOSISDBHSA-N 1 0 367.449 2.993 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H](C)C3)cc2F)CC1 ZINC000780414147 1011265038 /nfs/dbraw/zinc/26/50/38/1011265038.db2.gz BXUQACVKBBOUKW-NVXWUHKLSA-N 1 0 362.493 2.955 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000773312130 1011317264 /nfs/dbraw/zinc/31/72/64/1011317264.db2.gz TZIHJENFXXDRTJ-IRXDYDNUSA-N 1 0 374.529 2.614 20 10 FFCDRO CC(C)(C)OC(=O)C1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001171912194 1011531810 /nfs/dbraw/zinc/53/18/10/1011531810.db2.gz TYSXWUIRJAARRM-UHFFFAOYSA-N 1 0 351.443 2.836 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1 ZINC000828035569 1032580452 /nfs/dbraw/zinc/58/04/52/1032580452.db2.gz JCTYOFWSTYUHCB-UHFFFAOYSA-N 1 0 373.453 2.841 20 10 FFCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796312818 1011817166 /nfs/dbraw/zinc/81/71/66/1011817166.db2.gz XPJSWBJCBZFJRN-HXUWFJFHSA-N 1 0 370.518 2.916 20 10 FFCDRO CCC(CC)C[NH+]1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275073852 1011889011 /nfs/dbraw/zinc/88/90/11/1011889011.db2.gz HCGJNKQNFISQGO-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1cc(O)c(O)cc1O)CC2 ZINC001172899900 1012075255 /nfs/dbraw/zinc/07/52/55/1012075255.db2.gz FGDUCMPPLCMWFX-HNNXBMFYSA-N 1 0 358.394 2.791 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)c1O ZINC001275244140 1012131062 /nfs/dbraw/zinc/13/10/62/1012131062.db2.gz CDVOJDPTAKBGGM-UHFFFAOYSA-N 1 0 352.434 2.911 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cnoc2)C3)c1 ZINC001275239377 1012131973 /nfs/dbraw/zinc/13/19/73/1012131973.db2.gz YHJVSOKFLBTZQD-FQEVSTJZSA-N 1 0 355.438 2.846 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1O ZINC001275280523 1012200673 /nfs/dbraw/zinc/20/06/73/1012200673.db2.gz ZUXRWSLCTYYRGC-IBGZPJMESA-N 1 0 368.424 2.876 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173138619 1012283493 /nfs/dbraw/zinc/28/34/93/1012283493.db2.gz BVAYWMWOBAJMMD-QGZVFWFLSA-N 1 0 373.522 2.848 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(O)c(O)c2)c1F ZINC001173191601 1012331887 /nfs/dbraw/zinc/33/18/87/1012331887.db2.gz NDEHCALFCWZWJM-JTQLQIEISA-N 1 0 350.346 2.875 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870861093 1012609498 /nfs/dbraw/zinc/60/94/98/1012609498.db2.gz CVIDNWMQDBKDNJ-BJLQDIEVSA-N 1 0 359.514 2.778 20 10 FFCDRO O=C(NCCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001275577789 1012639191 /nfs/dbraw/zinc/63/91/91/1012639191.db2.gz FSOUOPYDNWEDJN-CYBMUJFWSA-N 1 0 372.387 2.769 20 10 FFCDRO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001275578215 1012639204 /nfs/dbraw/zinc/63/92/04/1012639204.db2.gz JCPFRBJMAVTXPC-QGZVFWFLSA-N 1 0 372.387 2.865 20 10 FFCDRO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001275597887 1012672763 /nfs/dbraw/zinc/67/27/63/1012672763.db2.gz KYQJBLLHZBWREA-IBGZPJMESA-N 1 0 359.514 2.507 20 10 FFCDRO COc1cc(CN2CCC[C@@]23CCN(C2CCCC2)C3=O)cc(O)c1O ZINC001275676276 1012830095 /nfs/dbraw/zinc/83/00/95/1012830095.db2.gz NJLYTRCMKICZBB-FQEVSTJZSA-N 1 0 360.454 2.616 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001275771488 1012989213 /nfs/dbraw/zinc/98/92/13/1012989213.db2.gz OVRYXVGUCBETBK-HXUWFJFHSA-N 1 0 355.438 2.764 20 10 FFCDRO Cc1cc(CC(=O)NC[C@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC000828374259 1032684635 /nfs/dbraw/zinc/68/46/35/1032684635.db2.gz GVDMBZWUHCGHGC-KRWDZBQOSA-N 1 0 369.509 2.721 20 10 FFCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000828436187 1032701461 /nfs/dbraw/zinc/70/14/61/1032701461.db2.gz WFYZLNTYEUSYEL-FQEVSTJZSA-N 1 0 360.498 2.731 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C4CCC4)no3)CC2)cc1 ZINC000827323969 1017619424 /nfs/dbraw/zinc/61/94/24/1017619424.db2.gz VICAQNTYIPILLF-UHFFFAOYSA-N 1 0 371.485 2.970 20 10 FFCDRO Cc1cc(CC(=O)NCC2([NH+](C)C)CCOCC2)c(C)n1-c1ccccc1 ZINC000827762223 1018643099 /nfs/dbraw/zinc/64/30/99/1018643099.db2.gz CMSXFJXLMYJXGQ-UHFFFAOYSA-N 1 0 369.509 2.864 20 10 FFCDRO CC(C)(C)c1cc(O)c(CN2CCOC[C@@]3(C[NH2+]CCO3)C2)cc1Cl ZINC001222192528 1032814044 /nfs/dbraw/zinc/81/40/44/1032814044.db2.gz WTZYVILAOVCBCF-LJQANCHMSA-N 1 0 368.905 2.534 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1 ZINC000390507486 1019847230 /nfs/dbraw/zinc/84/72/30/1019847230.db2.gz SAXAJIWAJASFSU-GOSISDBHSA-N 1 0 363.502 2.868 20 10 FFCDRO COC(=O)c1cncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000930212194 1019926029 /nfs/dbraw/zinc/92/60/29/1019926029.db2.gz ZNZVEIDHLZSMBC-OAHLLOKOSA-N 1 0 355.438 2.556 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)CCN2CC[NH+](C(C)C)CC2)cc1 ZINC000900025026 1020145744 /nfs/dbraw/zinc/14/57/44/1020145744.db2.gz AOOBZMPHDVUUJC-UHFFFAOYSA-N 1 0 374.573 2.907 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000397772001 1020292125 /nfs/dbraw/zinc/29/21/25/1020292125.db2.gz MBLXTZYGBFWQTB-HZPDHXFCSA-N 1 0 364.442 2.902 20 10 FFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000800474278 1020342140 /nfs/dbraw/zinc/34/21/40/1020342140.db2.gz HVMYBGMCSOCGIM-RXVVDRJESA-N 1 0 361.530 2.612 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900401363 1020403705 /nfs/dbraw/zinc/40/37/05/1020403705.db2.gz VUYNJRXPUWCMBT-UHFFFAOYSA-N 1 0 360.546 2.517 20 10 FFCDRO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000726183834 1020428475 /nfs/dbraw/zinc/42/84/75/1020428475.db2.gz PLZUDPHQDBWPMS-OAHLLOKOSA-N 1 0 373.384 2.656 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000726705328 1020510479 /nfs/dbraw/zinc/51/04/79/1020510479.db2.gz HZFFNSQOPPPDCP-IEBWSBKVSA-N 1 0 372.513 2.590 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1CN1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222367100 1032917105 /nfs/dbraw/zinc/91/71/05/1032917105.db2.gz JLNLQGLHJSLGSQ-JOCHJYFZSA-N 1 0 368.477 2.926 20 10 FFCDRO CCn1ncc(C)c1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000931937562 1020636344 /nfs/dbraw/zinc/63/63/44/1020636344.db2.gz ZKIMLCKXRLXKTL-KRWDZBQOSA-N 1 0 358.490 2.702 20 10 FFCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000903093086 1020673473 /nfs/dbraw/zinc/67/34/73/1020673473.db2.gz GZODQQOGVIGUEA-AZUAARDMSA-N 1 0 359.514 2.826 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001217986224 1032935604 /nfs/dbraw/zinc/93/56/04/1032935604.db2.gz FIEKTNNXROWHGL-IAQYHMDHSA-N 1 0 367.401 2.640 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccccc3O)cc2)CC1 ZINC000749268417 1020909576 /nfs/dbraw/zinc/90/95/76/1020909576.db2.gz XLKREGWXJRORGQ-UHFFFAOYSA-N 1 0 353.466 2.853 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218023438 1032958151 /nfs/dbraw/zinc/95/81/51/1032958151.db2.gz IHCKPQQBDDHXSQ-WBMJQRKESA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218024811 1032959779 /nfs/dbraw/zinc/95/97/79/1032959779.db2.gz BWTIUXVMLYIJMK-LRDDRELGSA-N 1 0 351.402 2.935 20 10 FFCDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001116486695 1021242594 /nfs/dbraw/zinc/24/25/94/1021242594.db2.gz NEVBLTOHMFSMSJ-KRWDZBQOSA-N 1 0 368.403 2.560 20 10 FFCDRO CCc1oc(C(=O)OC)cc1CN1CCN(c2ccc(OC)cc2)CC1 ZINC000750033377 1021249614 /nfs/dbraw/zinc/24/96/14/1021249614.db2.gz QJINLEMRRHGBSM-UHFFFAOYSA-N 1 0 358.438 2.959 20 10 FFCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218044112 1032969599 /nfs/dbraw/zinc/96/95/99/1032969599.db2.gz PVOSQPYCCMIIBW-BDJLRTHQSA-N 1 0 366.373 2.747 20 10 FFCDRO CC[N@H+](CCO)CCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001116626104 1021316849 /nfs/dbraw/zinc/31/68/49/1021316849.db2.gz KWOPKNIPXSTZJB-UHFFFAOYSA-N 1 0 363.889 2.792 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[C@@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218118673 1033006753 /nfs/dbraw/zinc/00/67/53/1033006753.db2.gz QEXFNGBJGCTTNU-JTSKRJEESA-N 1 0 363.413 2.992 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[C@@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218113974 1033004072 /nfs/dbraw/zinc/00/40/72/1033004072.db2.gz AOVOWOUZNBMALL-JTSKRJEESA-N 1 0 363.413 2.997 20 10 FFCDRO Cc1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218136500 1033013239 /nfs/dbraw/zinc/01/32/39/1033013239.db2.gz UPYOGIKQEFUOIS-BTTYYORXSA-N 1 0 363.413 2.853 20 10 FFCDRO NC(=O)c1cccc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000113359149 1021900900 /nfs/dbraw/zinc/90/09/00/1021900900.db2.gz BRDZRHLCPSVKGP-SFHVURJKSA-N 1 0 373.884 2.899 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)cccc21 ZINC001218144393 1033016118 /nfs/dbraw/zinc/01/61/18/1033016118.db2.gz JTNMTQBXYHSSOZ-ISTRZQFTSA-N 1 0 363.413 2.935 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC001118126234 1022080063 /nfs/dbraw/zinc/08/00/63/1022080063.db2.gz JRCCKJGPKGRZHE-WOJBJXKFSA-N 1 0 371.525 2.650 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cc(O)c(O)c21 ZINC001218187440 1033039581 /nfs/dbraw/zinc/03/95/81/1033039581.db2.gz YGIAIFGDVHKCAJ-ZSBIGDGJSA-N 1 0 365.385 2.535 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1Cl ZINC001118634410 1022326732 /nfs/dbraw/zinc/32/67/32/1022326732.db2.gz NRYAVPLXTSHDKP-IBGZPJMESA-N 1 0 373.840 2.698 20 10 FFCDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001118938741 1022483635 /nfs/dbraw/zinc/48/36/35/1022483635.db2.gz NRYLFXSRQPJSBW-LLVKDONJSA-N 1 0 353.260 2.645 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001119485961 1022807220 /nfs/dbraw/zinc/80/72/20/1022807220.db2.gz SVGVNDWTMIBDAS-HNNXBMFYSA-N 1 0 355.429 2.949 20 10 FFCDRO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001276781044 1033100394 /nfs/dbraw/zinc/10/03/94/1033100394.db2.gz SAJASBHLFFQHPM-UHFFFAOYSA-N 1 0 360.454 2.561 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000188962503 1023176540 /nfs/dbraw/zinc/17/65/40/1023176540.db2.gz IALSUEKQPIFPGI-OAHLLOKOSA-N 1 0 358.482 2.831 20 10 FFCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000753531700 1023346997 /nfs/dbraw/zinc/34/69/97/1023346997.db2.gz RHFWKUADSKMUNC-GOSISDBHSA-N 1 0 352.434 2.778 20 10 FFCDRO CC(C)OCC[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276783142 1033126779 /nfs/dbraw/zinc/12/67/79/1033126779.db2.gz QLPCZDUICFJNSX-OAQYLSRUSA-N 1 0 359.514 2.602 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000754369453 1023461075 /nfs/dbraw/zinc/46/10/75/1023461075.db2.gz XGRLQIZSFAXZSS-ABSDTBQOSA-N 1 0 374.529 2.566 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000756458086 1023713779 /nfs/dbraw/zinc/71/37/79/1023713779.db2.gz TWYLHGAQJLLLGZ-GDBMZVCRSA-N 1 0 370.449 2.676 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)c2c1c(F)ccc2O ZINC000756561694 1023729630 /nfs/dbraw/zinc/72/96/30/1023729630.db2.gz HCGOTFIXGBXMRC-BBRMVZONSA-N 1 0 363.477 2.612 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC000756593239 1023733010 /nfs/dbraw/zinc/73/30/10/1023733010.db2.gz WXIJAWHFHXRMAG-ZWKOTPCHSA-N 1 0 354.498 2.957 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000756776719 1023753726 /nfs/dbraw/zinc/75/37/26/1023753726.db2.gz CURVDEHVJWJOAT-LBPRGKRZSA-N 1 0 364.442 2.696 20 10 FFCDRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137835616 1033172568 /nfs/dbraw/zinc/17/25/68/1033172568.db2.gz LFBYHBCSIZPFQE-MGPUTAFESA-N 1 0 372.444 2.581 20 10 FFCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000078980125 1024046602 /nfs/dbraw/zinc/04/66/02/1024046602.db2.gz DYLSOSQJIZDSOT-UHFFFAOYSA-N 1 0 372.488 2.601 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)cc2c1C(=O)c1ccccc1C2=O ZINC001218492656 1033180430 /nfs/dbraw/zinc/18/04/30/1033180430.db2.gz VPAUZMBQSASJNY-BJOOFOGMSA-N 1 0 363.413 2.908 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139669814 1024355516 /nfs/dbraw/zinc/35/55/16/1024355516.db2.gz OYBBNMSCBRUZPT-IRXDYDNUSA-N 1 0 363.502 2.521 20 10 FFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759173028 1024505839 /nfs/dbraw/zinc/50/58/39/1024505839.db2.gz LCNIGJDWPBCOFH-QFBILLFUSA-N 1 0 363.458 2.869 20 10 FFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000245551607 1025454718 /nfs/dbraw/zinc/45/47/18/1025454718.db2.gz BPALPLNZQNTDNT-XQBPLPMBSA-N 1 0 373.541 2.597 20 10 FFCDRO CN1CCOc2cc(C[NH+]3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)ccc21 ZINC001141141008 1025509788 /nfs/dbraw/zinc/50/97/88/1025509788.db2.gz NXCKIRVLMZCCEU-IRXDYDNUSA-N 1 0 370.522 2.536 20 10 FFCDRO CN(C)C(=O)N1CCCC12CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141033 1025509858 /nfs/dbraw/zinc/50/98/58/1025509858.db2.gz ODWZZARGDOEHHZ-UHFFFAOYSA-N 1 0 372.513 2.627 20 10 FFCDRO COc1cc(OC2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)ccn1 ZINC001141146110 1025523406 /nfs/dbraw/zinc/52/34/06/1025523406.db2.gz LBSJFJIIIXDYAD-UHFFFAOYSA-N 1 0 369.465 2.962 20 10 FFCDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001141159363 1025542718 /nfs/dbraw/zinc/54/27/18/1025542718.db2.gz BECIJSCDTUJQMJ-IBGZPJMESA-N 1 0 366.461 2.936 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)C3CCC3)CC2)cc1 ZINC000837318763 1025721744 /nfs/dbraw/zinc/72/17/44/1025721744.db2.gz YBJQJKQIRKJDIV-QGZVFWFLSA-N 1 0 359.514 2.760 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C)n1-c1ccccc1C ZINC001141281194 1025752805 /nfs/dbraw/zinc/75/28/05/1025752805.db2.gz QSZTZZWPMGDRPK-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO C[C@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCCO1 ZINC000837507815 1025860702 /nfs/dbraw/zinc/86/07/02/1025860702.db2.gz PJXXFQUBYMDVCY-JOCHJYFZSA-N 1 0 371.525 2.794 20 10 FFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090178633 1026051449 /nfs/dbraw/zinc/05/14/49/1026051449.db2.gz JAIURSIGHWBKDZ-HOCLYGCPSA-N 1 0 363.477 2.712 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)COC)cc2F)CC1 ZINC000839664042 1026783425 /nfs/dbraw/zinc/78/34/25/1026783425.db2.gz NQNFKSHYSWMXJC-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@H+](Cc2ccccc2)C1 ZINC000840136838 1026975729 /nfs/dbraw/zinc/97/57/29/1026975729.db2.gz WTCCSZHILRHUDS-KKSFZXQISA-N 1 0 368.477 2.772 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cccc4c3OCO4)CC2)cc1 ZINC001141960485 1027225848 /nfs/dbraw/zinc/22/58/48/1027225848.db2.gz QYFQKUQHGWNFQW-UHFFFAOYSA-N 1 0 370.449 2.763 20 10 FFCDRO O=C(CC[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126118 1027225821 /nfs/dbraw/zinc/22/58/21/1027225821.db2.gz NSYZPWIKSULRQB-NRFANRHFSA-N 1 0 371.525 2.794 20 10 FFCDRO Cc1cccc(N(C(=O)Cc2ccc(N)cc2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159350744 1027364159 /nfs/dbraw/zinc/36/41/59/1027364159.db2.gz IUMLPGHMOXHMHK-RBBKRZOGSA-N 1 0 365.477 2.674 20 10 FFCDRO COc1cccc(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)c1O ZINC000093563555 1027768371 /nfs/dbraw/zinc/76/83/71/1027768371.db2.gz HPNPNMLZGCHQAZ-UHFFFAOYSA-N 1 0 355.482 2.655 20 10 FFCDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(O)c1O ZINC000249143319 1028015111 /nfs/dbraw/zinc/01/51/11/1028015111.db2.gz RORFCFQODNVLHZ-QWHZDKJVSA-N 1 0 354.450 2.984 20 10 FFCDRO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534036 1028219003 /nfs/dbraw/zinc/21/90/03/1028219003.db2.gz CFOUDXZFIPVEKT-OAHLLOKOSA-N 1 0 373.419 2.997 20 10 FFCDRO CCc1nc(C)cc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001156263099 1029118424 /nfs/dbraw/zinc/11/84/24/1029118424.db2.gz MCVGNOLDYXHEIS-UHFFFAOYSA-N 1 0 369.513 2.980 20 10 FFCDRO COCCCN(CCO)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000782578096 1029752359 /nfs/dbraw/zinc/75/23/59/1029752359.db2.gz FSFWXVOXIKXMQX-UHFFFAOYSA-N 1 0 362.445 2.747 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000694750830 1029838631 /nfs/dbraw/zinc/83/86/31/1029838631.db2.gz BHVZIBUAIMFZER-MJGOQNOKSA-N 1 0 369.509 2.868 20 10 FFCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000783226244 1029979760 /nfs/dbraw/zinc/97/97/60/1029979760.db2.gz YZCOKFWEHVIKDX-QAPCUYQASA-N 1 0 355.461 2.830 20 10 FFCDRO COc1cc2c(c(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c1)O[C@H](C)C2 ZINC000841042900 1029997807 /nfs/dbraw/zinc/99/78/07/1029997807.db2.gz MPEOGKQPCBYHIB-JLTOFOAXSA-N 1 0 355.482 2.874 20 10 FFCDRO Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044059 1030000744 /nfs/dbraw/zinc/00/07/44/1030000744.db2.gz UQZYRYRJDYHAIK-HXUWFJFHSA-N 1 0 364.497 2.740 20 10 FFCDRO C[NH+](C)CCCOc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841111391 1030047117 /nfs/dbraw/zinc/04/71/17/1030047117.db2.gz NUNPBFSKNVITOO-UHFFFAOYSA-N 1 0 356.470 2.964 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000841125280 1030059080 /nfs/dbraw/zinc/05/90/80/1030059080.db2.gz GGTPWEMLLFKKMQ-UHFFFAOYSA-N 1 0 369.465 2.879 20 10 FFCDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(N)cc1 ZINC000841300517 1030169820 /nfs/dbraw/zinc/16/98/20/1030169820.db2.gz QXKCNUNCRHHHLV-INIZCTEOSA-N 1 0 353.470 2.601 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)Nc3cccc(C[NH3+])c3)CC2)cc1 ZINC000841305304 1030177843 /nfs/dbraw/zinc/17/78/43/1030177843.db2.gz SRYDLVHJYAAPOJ-UHFFFAOYSA-N 1 0 354.454 2.944 20 10 FFCDRO CC[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000841309908 1030180625 /nfs/dbraw/zinc/18/06/25/1030180625.db2.gz AYURFECPFYCEBT-UHFFFAOYSA-N 1 0 368.481 2.954 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000697620060 1030304975 /nfs/dbraw/zinc/30/49/75/1030304975.db2.gz GUMUKPGDHFITMW-JOYOIKCWSA-N 1 0 350.278 2.629 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000841793006 1030470168 /nfs/dbraw/zinc/47/01/68/1030470168.db2.gz IATCFNBOFUMZJS-QGZVFWFLSA-N 1 0 366.456 2.719 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000841855947 1030506183 /nfs/dbraw/zinc/50/61/83/1030506183.db2.gz KALUJZROOURMCU-JKSUJKDBSA-N 1 0 370.522 2.778 20 10 FFCDRO COC(=O)c1cccc(C(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001203550199 1030760284 /nfs/dbraw/zinc/76/02/84/1030760284.db2.gz LXFOUNJSAMZDLA-UHFFFAOYSA-N 1 0 368.433 2.573 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1O)CCO2 ZINC001203550245 1030761262 /nfs/dbraw/zinc/76/12/62/1030761262.db2.gz NZCNXGYPPJJSHU-HXUWFJFHSA-N 1 0 362.470 2.994 20 10 FFCDRO COc1cccc(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1O ZINC001203589443 1030772352 /nfs/dbraw/zinc/77/23/52/1030772352.db2.gz IFIHFTSDGWULFU-UHFFFAOYSA-N 1 0 358.486 2.798 20 10 FFCDRO COc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H](F)C2)c1O ZINC001203590023 1030772455 /nfs/dbraw/zinc/77/24/55/1030772455.db2.gz RATRHLUTORDDRA-AWEZNQCLSA-N 1 0 354.422 2.792 20 10 FFCDRO COc1cccc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3C)C2)c1O ZINC001203594234 1030777449 /nfs/dbraw/zinc/77/74/49/1030777449.db2.gz VSPFEVJJOGNXDQ-UHFFFAOYSA-N 1 0 357.454 2.619 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001203601925 1030781076 /nfs/dbraw/zinc/78/10/76/1030781076.db2.gz RFGXFIORIOCNMW-KRWDZBQOSA-N 1 0 356.422 2.543 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCN(c4ccc(C)nn4)C[C@H]3C2)c1O ZINC001203603275 1030783889 /nfs/dbraw/zinc/78/38/89/1030783889.db2.gz MJYYPMQXAYHGMD-SJLPKXTDSA-N 1 0 368.481 2.848 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001203648174 1030804003 /nfs/dbraw/zinc/80/40/03/1030804003.db2.gz FMXMRDIINUFTAZ-CYBMUJFWSA-N 1 0 350.216 2.598 20 10 FFCDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)nc1 ZINC001203648571 1030804187 /nfs/dbraw/zinc/80/41/87/1030804187.db2.gz MCSFCDUVAOQOKF-AWEZNQCLSA-N 1 0 364.243 2.906 20 10 FFCDRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4cc(Cl)ccc4O)C3)C2=O)cn1 ZINC001203657195 1030808516 /nfs/dbraw/zinc/80/85/16/1030808516.db2.gz HFKFKAKADUOWKO-IBGZPJMESA-N 1 0 374.872 2.798 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001203656124 1030809958 /nfs/dbraw/zinc/80/99/58/1030809958.db2.gz IVCXHYPFAQMAJC-YQVWRLOYSA-N 1 0 360.841 2.857 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)c1 ZINC001203673102 1030822147 /nfs/dbraw/zinc/82/21/47/1030822147.db2.gz NCOHJLCBYRSYCF-SBHAEUEKSA-N 1 0 372.465 2.858 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001203681477 1030825687 /nfs/dbraw/zinc/82/56/87/1030825687.db2.gz YQUHXYSJMWPWOI-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)cc1 ZINC001203932944 1030991940 /nfs/dbraw/zinc/99/19/40/1030991940.db2.gz FAFBAUHBMVBSIT-OPYAIIAOSA-N 1 0 371.525 2.506 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cc1 ZINC001203940334 1030998341 /nfs/dbraw/zinc/99/83/41/1030998341.db2.gz MXYBZJOLNUTDGU-VQTJNVASSA-N 1 0 367.497 2.646 20 10 FFCDRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC001204153363 1031135824 /nfs/dbraw/zinc/13/58/24/1031135824.db2.gz FABAGYJKVIGUGG-UHFFFAOYSA-N 1 0 372.446 2.835 20 10 FFCDRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274797 1031201243 /nfs/dbraw/zinc/20/12/43/1031201243.db2.gz TUFJSFKWDLSKNJ-QFIPXVFZSA-N 1 0 364.445 2.998 20 10 FFCDRO OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001204320991 1031227265 /nfs/dbraw/zinc/22/72/65/1031227265.db2.gz BVOOWZLSNOQKIR-QHCPKHFHSA-N 1 0 365.521 2.966 20 10 FFCDRO COc1cc(Br)cc(CN2CC([NH+]3CCC(F)CC3)C2)c1O ZINC001204339836 1031234675 /nfs/dbraw/zinc/23/46/75/1031234675.db2.gz VOBFUJTWXKGTDJ-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)cc(O)c1O ZINC001204344769 1031240179 /nfs/dbraw/zinc/24/01/79/1031240179.db2.gz CRORZEJNNVPCNA-UHFFFAOYSA-N 1 0 369.421 2.733 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)cc(O)c1O ZINC001204346115 1031242605 /nfs/dbraw/zinc/24/26/05/1031242605.db2.gz DUTQBXHGGMZBRI-UHFFFAOYSA-N 1 0 370.453 2.531 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1COCC[NH2+]1 ZINC000843487491 1031425223 /nfs/dbraw/zinc/42/52/23/1031425223.db2.gz HSQDTMRWHRIOIL-APWZRJJASA-N 1 0 354.450 2.861 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)cc1 ZINC000843504180 1031432754 /nfs/dbraw/zinc/43/27/54/1031432754.db2.gz DDVWOULWMWLNPL-HRAATJIYSA-N 1 0 365.477 2.525 20 10 FFCDRO [NH3+][C@H]1CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001205103118 1031527980 /nfs/dbraw/zinc/52/79/80/1031527980.db2.gz ZRHMTTWCOANXIJ-HNNXBMFYSA-N 1 0 368.319 2.599 20 10 FFCDRO [NH3+]C[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CCC1(F)F ZINC001205787014 1031993321 /nfs/dbraw/zinc/99/33/21/1031993321.db2.gz DMMGDJUQJOBURU-NSHDSACASA-N 1 0 354.319 2.749 20 10 FFCDRO CC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276900837 1033498435 /nfs/dbraw/zinc/49/84/35/1033498435.db2.gz NNSDPLVNMNAPNL-IERDGZPVSA-N 1 0 357.498 2.687 20 10 FFCDRO CC(=O)[C@H](C)[N@@H+]1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276900832 1033498762 /nfs/dbraw/zinc/49/87/62/1033498762.db2.gz NNSDPLVNMNAPNL-HRAATJIYSA-N 1 0 357.498 2.687 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cs2)cc1 ZINC000830240025 1033529801 /nfs/dbraw/zinc/52/98/01/1033529801.db2.gz GBYNSFAMXOPQCH-INIZCTEOSA-N 1 0 370.522 2.874 20 10 FFCDRO COc1ccc(O)c(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000830544287 1033666714 /nfs/dbraw/zinc/66/67/14/1033666714.db2.gz NTJMXWSPPWRWOZ-LJQANCHMSA-N 1 0 354.450 2.897 20 10 FFCDRO O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001219625850 1033721456 /nfs/dbraw/zinc/72/14/56/1033721456.db2.gz DVUDUILFOVIETE-MYZXHTBRSA-N 1 0 372.400 2.600 20 10 FFCDRO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665481 1033732074 /nfs/dbraw/zinc/73/20/74/1033732074.db2.gz XWIWRPVIABUKRK-LSDHHAIUSA-N 1 0 367.440 2.763 20 10 FFCDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N(Cc1ccco1)Cc1ccccc1O ZINC000831173954 1033976754 /nfs/dbraw/zinc/97/67/54/1033976754.db2.gz URMRUUBDHBLOCP-GOSISDBHSA-N 1 0 355.438 2.839 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3c4ccccc4n(C)c3C)C2)n1 ZINC001138259699 1034030156 /nfs/dbraw/zinc/03/01/56/1034030156.db2.gz MIKIOOBZGUBXDU-OAHLLOKOSA-N 1 0 352.438 2.939 20 10 FFCDRO [NH3+][C@@H](Cc1ccsc1)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212361 1034049413 /nfs/dbraw/zinc/04/94/13/1034049413.db2.gz GSEFICGCAGGPQD-AWEZNQCLSA-N 1 0 361.854 2.842 20 10 FFCDRO CCOC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000831561693 1034125580 /nfs/dbraw/zinc/12/55/80/1034125580.db2.gz SNRMHVSHQKTKII-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO COCc1noc2c1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138338224 1034168660 /nfs/dbraw/zinc/16/86/60/1034168660.db2.gz FECRNZCHONEWNT-UHFFFAOYSA-N 1 0 369.465 2.784 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)CC[C@H]21 ZINC001138342079 1034172589 /nfs/dbraw/zinc/17/25/89/1034172589.db2.gz YDKXMMMUSHDOGX-QFBILLFUSA-N 1 0 369.509 2.534 20 10 FFCDRO Oc1c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc2c3c1CCCN3CCC2 ZINC001138341957 1034172759 /nfs/dbraw/zinc/17/27/59/1034172759.db2.gz NASIAPQZOYUDIL-KRWDZBQOSA-N 1 0 353.470 2.520 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138342019 1034172797 /nfs/dbraw/zinc/17/27/97/1034172797.db2.gz XAMASWATAMVIMU-HNNXBMFYSA-N 1 0 358.482 2.866 20 10 FFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)CCCN5C)C[C@H]3O2)n1 ZINC001138357930 1034194580 /nfs/dbraw/zinc/19/45/80/1034194580.db2.gz YLTIWMTZWBFLPL-NLWGTHIKSA-N 1 0 368.481 2.592 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359015 1034195368 /nfs/dbraw/zinc/19/53/68/1034195368.db2.gz HLIVDGPAPHNSRS-UHFFFAOYSA-N 1 0 359.514 2.576 20 10 FFCDRO c1cncc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001138497570 1034337169 /nfs/dbraw/zinc/33/71/69/1034337169.db2.gz JPNWAIYGGSLORS-OAQYLSRUSA-N 1 0 353.466 2.962 20 10 FFCDRO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499288 1034340139 /nfs/dbraw/zinc/34/01/39/1034340139.db2.gz BMDTWTJVHQLDQR-FQEVSTJZSA-N 1 0 353.466 2.880 20 10 FFCDRO Nc1ccc(CC(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])cc1 ZINC001220750786 1034377744 /nfs/dbraw/zinc/37/77/44/1034377744.db2.gz FFTKJOWUIXHPDP-MXXWWZHRSA-N 1 0 369.468 2.914 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000832272467 1034694623 /nfs/dbraw/zinc/69/46/23/1034694623.db2.gz GATCADWIKHBCSR-KVSKMBFKSA-N 1 0 359.420 2.951 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000832299572 1034713943 /nfs/dbraw/zinc/71/39/43/1034713943.db2.gz DYRXJYPJJDQCNW-MRXNPFEDSA-N 1 0 373.501 2.572 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]4CCC[C@@H]43)cc2F)CC1 ZINC001226823464 1034853401 /nfs/dbraw/zinc/85/34/01/1034853401.db2.gz CMTBCKVYJCWNPW-ZIFCJYIRSA-N 1 0 374.504 2.955 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C3CC3)C3CC3)cc2F)CC1 ZINC001226825858 1034855214 /nfs/dbraw/zinc/85/52/14/1034855214.db2.gz PRUJODZHXGQMHY-UHFFFAOYSA-N 1 0 360.477 2.804 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@]3(C)CC3(C)C)cc2F)CC1 ZINC001226826371 1034855581 /nfs/dbraw/zinc/85/55/81/1034855581.db2.gz VSNOFJOCBMNEKP-HXUWFJFHSA-N 1 0 362.493 2.955 20 10 FFCDRO Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)ccc1N(C)C ZINC001139672446 1035193984 /nfs/dbraw/zinc/19/39/84/1035193984.db2.gz XJIKRDRRIISHPV-WOJBJXKFSA-N 1 0 364.493 2.660 20 10 FFCDRO Cc1cc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)ccc1N(C)C ZINC001139674400 1035194975 /nfs/dbraw/zinc/19/49/75/1035194975.db2.gz YGIQZYMQEXIZDT-UHFFFAOYSA-N 1 0 352.482 2.850 20 10 FFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674248 1035195256 /nfs/dbraw/zinc/19/52/56/1035195256.db2.gz QYELOJROCBLEAB-QGZVFWFLSA-N 1 0 356.470 2.903 20 10 FFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674562 1035195449 /nfs/dbraw/zinc/19/54/49/1035195449.db2.gz 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LPGRWALDIWNRSD-AEFFLSMTSA-N 1 0 354.450 2.900 20 10 FFCDRO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482892 1036651583 /nfs/dbraw/zinc/65/15/83/1036651583.db2.gz GEOQVOYPSIIEDK-STQMWFEESA-N 1 0 366.458 2.929 20 10 FFCDRO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(O)c(O)cc2O)O1 ZINC001233484784 1036653966 /nfs/dbraw/zinc/65/39/66/1036653966.db2.gz XJOOVPOKJRBIQM-SPYBWZPUSA-N 1 0 351.443 2.598 20 10 FFCDRO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487488 1036656343 /nfs/dbraw/zinc/65/63/43/1036656343.db2.gz FWCYJCNXQINUEO-OAHLLOKOSA-N 1 0 357.406 2.759 20 10 FFCDRO CCC[N@H+](Cc1c(O)cc(OC)cc1OC)C1CCN(C(C)=O)CC1 ZINC001141029503 1036770309 /nfs/dbraw/zinc/77/03/09/1036770309.db2.gz UUBRMDSKZMIVFY-UHFFFAOYSA-N 1 0 350.459 2.632 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3nccc(C)n3)C2)c(OC)c1 ZINC001141033068 1036779814 /nfs/dbraw/zinc/77/98/14/1036779814.db2.gz YJQIGNMXSHZMSC-CQSZACIVSA-N 1 0 359.426 2.551 20 10 FFCDRO 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FFCDRO CCC(=O)N[C@@H]1CCCN(Cc2cc(OC)c(Br)cc2O)C1 ZINC001236752315 1038237696 /nfs/dbraw/zinc/23/76/96/1038237696.db2.gz WSXKQVQOLALZIO-GFCCVEGCSA-N 1 0 371.275 2.654 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236753198 1038239935 /nfs/dbraw/zinc/23/99/35/1038239935.db2.gz KJYNPOFGCWAGDR-PWSUYJOCSA-N 1 0 372.259 2.794 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236755360 1038243690 /nfs/dbraw/zinc/24/36/90/1038243690.db2.gz BZXYJUDFMXBBAO-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(O)c(Br)cc3O)C[C@H]2C1 ZINC001236765635 1038252770 /nfs/dbraw/zinc/25/27/70/1038252770.db2.gz QYEMGDUCWHYLNW-BETUJISGSA-N 1 0 355.276 2.634 20 10 FFCDRO COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c([O-])c1Cl ZINC001236812595 1038286080 /nfs/dbraw/zinc/28/60/80/1038286080.db2.gz ZSLAAIUIGCYWHJ-UHFFFAOYSA-N 1 0 357.926 2.760 20 10 FFCDRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cc4ccccc4cc3O)C[C@H]21 ZINC001236831704 1038294936 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358.232 2.548 20 10 FFCDRO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001237080170 1038439069 /nfs/dbraw/zinc/43/90/69/1038439069.db2.gz KVCVLDJGYFFCEU-BETUJISGSA-N 1 0 357.281 2.994 20 10 FFCDRO CCOC(=O)N1CCC([NH+]2CCN(c3ccc(OC)cc3C)CC2)CC1 ZINC001256247462 1038452592 /nfs/dbraw/zinc/45/25/92/1038452592.db2.gz QBPSYLIHOUUZCM-UHFFFAOYSA-N 1 0 361.486 2.747 20 10 FFCDRO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001278924425 1038458546 /nfs/dbraw/zinc/45/85/46/1038458546.db2.gz ZSANYPPYOIQKKD-QAPCUYQASA-N 1 0 372.538 2.929 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001237202701 1038475043 /nfs/dbraw/zinc/47/50/43/1038475043.db2.gz JSWNBSZRQGBBLD-HXUWFJFHSA-N 1 0 370.518 2.911 20 10 FFCDRO CCOC(=O)C1(C(=O)OCC)CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC001256998515 1038675874 /nfs/dbraw/zinc/67/58/74/1038675874.db2.gz MFBUVUXTOHBFAL-UHFFFAOYSA-N 1 0 363.454 2.845 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001250953211 1038848896 /nfs/dbraw/zinc/84/88/96/1038848896.db2.gz MTVMOTJILBEPEZ-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC001251247906 1039031329 /nfs/dbraw/zinc/03/13/29/1039031329.db2.gz SRLDLDLBBMCGRS-AWEZNQCLSA-N 1 0 352.228 2.684 20 10 FFCDRO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001252763598 1039694472 /nfs/dbraw/zinc/69/44/72/1039694472.db2.gz RMZGNQAOYBOHIU-KRWDZBQOSA-N 1 0 359.466 2.967 20 10 FFCDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001252788063 1039704216 /nfs/dbraw/zinc/70/42/16/1039704216.db2.gz RUVUIPBOWJQULZ-HXUWFJFHSA-N 1 0 355.482 2.944 20 10 FFCDRO CCn1ccnc1CN1CCC2(C[NH+](Cc3c(O)cccc3Cl)C2)C1 ZINC001278491189 1039879974 /nfs/dbraw/zinc/87/99/74/1039879974.db2.gz RDLGLIRTWAWOBP-UHFFFAOYSA-N 1 0 360.889 2.970 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]Cc2ccccc2O)cc1 ZINC001253431612 1040177343 /nfs/dbraw/zinc/17/73/43/1040177343.db2.gz XNGIUFJCIOPJGT-SFHVURJKSA-N 1 0 357.450 2.997 20 10 FFCDRO C[C@H]([NH2+]C[C@](C)(O)C(=O)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001253658304 1040295376 /nfs/dbraw/zinc/29/53/76/1040295376.db2.gz PQWIRKFGAPURJY-KKSFZXQISA-N 1 0 356.466 2.898 20 10 FFCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2Cc3ccc(Br)cc3C2)cc1O ZINC001254259333 1040647025 /nfs/dbraw/zinc/64/70/25/1040647025.db2.gz DJXIAFVOMXGOQN-PBHICJAKSA-N 1 0 364.239 2.651 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC001254715836 1040905100 /nfs/dbraw/zinc/90/51/00/1040905100.db2.gz ATDZHYDSRLDOKZ-ICSRJNTNSA-N 1 0 356.514 2.913 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c1 ZINC001249725847 1040964649 /nfs/dbraw/zinc/96/46/49/1040964649.db2.gz RWXOWXHKOZOMJN-FQEVSTJZSA-N 1 0 365.470 2.851 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(O)c1 ZINC001249735275 1040967324 /nfs/dbraw/zinc/96/73/24/1040967324.db2.gz HXAAHNYNCAWYAH-INIZCTEOSA-N 1 0 363.454 2.915 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(O)c1 ZINC001249742970 1040971149 /nfs/dbraw/zinc/97/11/49/1040971149.db2.gz DSHBBITWLMHOLW-MRXNPFEDSA-N 1 0 351.443 2.725 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(O)cc1Br ZINC001250136867 1041126519 /nfs/dbraw/zinc/12/65/19/1041126519.db2.gz ZZNHZZGNKZFNFL-IUODEOHRSA-N 1 0 367.287 2.906 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001278557724 1041150120 /nfs/dbraw/zinc/15/01/20/1041150120.db2.gz OIBSBZZXFSKOQS-LJQANCHMSA-N 1 0 368.905 2.954 20 10 FFCDRO COc1cccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c1O ZINC001278561351 1041176178 /nfs/dbraw/zinc/17/61/78/1041176178.db2.gz YWNVVAGYALLQQI-UHFFFAOYSA-N 1 0 372.490 2.739 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)cc1 ZINC001279149631 1042920536 /nfs/dbraw/zinc/92/05/36/1042920536.db2.gz JACRTAXPPJPAMA-IYBDPMFKSA-N 1 0 370.419 2.673 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)cc1 ZINC001279149607 1042920626 /nfs/dbraw/zinc/92/06/26/1042920626.db2.gz HZHHCBFIXRWUMQ-BGYRXZFFSA-N 1 0 352.482 2.702 20 10 FFCDRO Cc1cc(CN2CC3(C2)CCC[N@H+](Cc2ccc(C)cc2O)C3)n(C)n1 ZINC001279338955 1043011678 /nfs/dbraw/zinc/01/16/78/1043011678.db2.gz SEYUCBPEJSBCNV-UHFFFAOYSA-N 1 0 354.498 2.841 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[NH+]2CCN(C(N)=O)CC2)c(O)c1 ZINC001237208286 1043053145 /nfs/dbraw/zinc/05/31/45/1043053145.db2.gz NRIGXBCFVJGGEQ-UHFFFAOYSA-N 1 0 362.518 2.995 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)cc1Cl ZINC001279432110 1043106487 /nfs/dbraw/zinc/10/64/87/1043106487.db2.gz AOIDNBFXMNXJRT-CALCHBBNSA-N 1 0 361.873 2.767 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001279433484 1043107493 /nfs/dbraw/zinc/10/74/93/1043107493.db2.gz VFZXUQNNKSFNBC-IRXDYDNUSA-N 1 0 354.878 2.623 20 10 FFCDRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c(C)cccc2O)n1 ZINC001237486803 1043200498 /nfs/dbraw/zinc/20/04/98/1043200498.db2.gz UOTCIMQOIALGGO-RBUKOAKNSA-N 1 0 351.450 2.779 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001237492512 1043204433 /nfs/dbraw/zinc/20/44/33/1043204433.db2.gz RXQJWUUBEUCEBL-JKSUJKDBSA-N 1 0 362.470 2.911 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001279513305 1043207957 /nfs/dbraw/zinc/20/79/57/1043207957.db2.gz CVCHRJMYHBCPLA-IYBDPMFKSA-N 1 0 366.387 2.983 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c(O)c(OC)c1 ZINC001237683731 1043309862 /nfs/dbraw/zinc/30/98/62/1043309862.db2.gz JSVAMSJEPZFELC-UHFFFAOYSA-N 1 0 364.486 2.926 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ncn3)C2)c(O)c(OC)c1 ZINC001237685942 1043313439 /nfs/dbraw/zinc/31/34/39/1043313439.db2.gz VUEYZJFBTZDICK-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000755921542 1043449729 /nfs/dbraw/zinc/44/97/29/1043449729.db2.gz RCQQMKHDNCCCJP-AATOQMJSSA-N 1 0 373.453 2.949 20 10 FFCDRO Oc1cc(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)cc(O)c1O ZINC001279682392 1043460278 /nfs/dbraw/zinc/46/02/78/1043460278.db2.gz QKMRHIQAMNFGCL-UHFFFAOYSA-N 1 0 360.376 2.654 20 10 FFCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)ccc1N(C)C ZINC001279735349 1043555118 /nfs/dbraw/zinc/55/51/18/1043555118.db2.gz NOKNPOAQQHGBME-YXYSEUPNSA-N 1 0 353.510 2.964 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)N(C)C)O[C@H]3C2)cc1 ZINC001279745009 1043575020 /nfs/dbraw/zinc/57/50/20/1043575020.db2.gz ZRROZOCICYZFON-HOJAQTOUSA-N 1 0 359.514 2.600 20 10 FFCDRO CC(C)c1cccc(S(=O)(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001238380536 1043676926 /nfs/dbraw/zinc/67/69/26/1043676926.db2.gz NWJCTOTVXQAFMY-UHFFFAOYSA-N 1 0 373.522 2.698 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cccc3nonc32)[NH+](C)C)cc1 ZINC001310619653 1043713811 /nfs/dbraw/zinc/71/38/11/1043713811.db2.gz XMWKSGRSCLSESU-KRWDZBQOSA-N 1 0 368.441 2.713 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)NCC(F)F)C2)c1 ZINC001279984853 1044037937 /nfs/dbraw/zinc/03/79/37/1044037937.db2.gz RNQHPPYKEWAGEQ-DNVCBOLYSA-N 1 0 368.424 2.774 20 10 FFCDRO CCOC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001312631930 1044147249 /nfs/dbraw/zinc/14/72/49/1044147249.db2.gz LQHVPQKBPRXHMU-RBUKOAKNSA-N 1 0 364.534 2.716 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cncc(S(C)(=O)=O)c2)n1C ZINC001239692986 1044153494 /nfs/dbraw/zinc/15/34/94/1044153494.db2.gz KZMFQFWSIRMJCI-UHFFFAOYSA-N 1 0 373.434 2.524 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)NC(C)(C)C)c1O ZINC001280346919 1044635318 /nfs/dbraw/zinc/63/53/18/1044635318.db2.gz VVPPJKQQJORJOV-IDCNUPLLSA-N 1 0 360.498 2.638 20 10 FFCDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1C ZINC001319767834 1045266530 /nfs/dbraw/zinc/26/65/30/1045266530.db2.gz RZHPGWUEQJUOLN-AWEZNQCLSA-N 1 0 360.433 2.626 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2F)CC1 ZINC001319828758 1045281566 /nfs/dbraw/zinc/28/15/66/1045281566.db2.gz MHPWDPCMYOERJY-FQEVSTJZSA-N 1 0 374.548 2.741 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001320134102 1045354244 /nfs/dbraw/zinc/35/42/44/1045354244.db2.gz USKWMEONGYUREY-HIFRSBDPSA-N 1 0 352.500 2.510 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001323831852 1045743031 /nfs/dbraw/zinc/74/30/31/1045743031.db2.gz ZSZXSYHPXNSSFC-WBVHZDCISA-N 1 0 359.514 2.829 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C2CC2)cc1C ZINC001323014363 1046306797 /nfs/dbraw/zinc/30/67/97/1046306797.db2.gz IMDDYBYSYNXFTE-KZNAEPCWSA-N 1 0 368.481 2.515 20 10 FFCDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1N1CCCCC1 ZINC000729684409 1046939756 /nfs/dbraw/zinc/93/97/56/1046939756.db2.gz OKZPLIKGKVROHI-ZWKOTPCHSA-N 1 0 374.485 2.538 20 10 FFCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729685508 1046939794 /nfs/dbraw/zinc/93/97/94/1046939794.db2.gz FEFCAELYXYDNMB-UHFFFAOYSA-N 1 0 362.474 2.980 20 10 FFCDRO CSc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1 ZINC001289599644 1047707232 /nfs/dbraw/zinc/70/72/32/1047707232.db2.gz HRXGIUBKMGAOOM-QGZVFWFLSA-N 1 0 358.511 2.902 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1O ZINC001331534816 1047989162 /nfs/dbraw/zinc/98/91/62/1047989162.db2.gz ZUIIPTPEVCCMFD-AWEZNQCLSA-N 1 0 358.442 2.770 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC001328048154 1048155801 /nfs/dbraw/zinc/15/58/01/1048155801.db2.gz XZYNVKOCUSCKCZ-KRWDZBQOSA-N 1 0 374.529 2.647 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC001332027135 1048217808 /nfs/dbraw/zinc/21/78/08/1048217808.db2.gz YVXKTUZTWHKWRJ-AWEZNQCLSA-N 1 0 370.287 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])c3ccccc3F)cc2)CC1 ZINC001332475124 1048410391 /nfs/dbraw/zinc/41/03/91/1048410391.db2.gz AQJSSVBLOJKHBC-HXUWFJFHSA-N 1 0 371.456 2.883 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC001328687899 1048420071 /nfs/dbraw/zinc/42/00/71/1048420071.db2.gz CNULQXMSBACZTN-UHFFFAOYSA-N 1 0 355.482 2.906 20 10 FFCDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001328764188 1048456799 /nfs/dbraw/zinc/45/67/99/1048456799.db2.gz KGOHJRLXBHLCHE-CYBMUJFWSA-N 1 0 372.419 2.919 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)cc2F)CC1 ZINC001329113372 1048582289 /nfs/dbraw/zinc/58/22/89/1048582289.db2.gz JPZVYMRKBCITCX-CTNGQTDRSA-N 1 0 360.521 2.684 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H](C2CC2)[NH+](C)C)CCCC1 ZINC001291800846 1048919092 /nfs/dbraw/zinc/91/90/92/1048919092.db2.gz VYMSYCLDMRBARG-OAQYLSRUSA-N 1 0 369.509 2.985 20 10 FFCDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393511 1049882774 /nfs/dbraw/zinc/88/27/74/1049882774.db2.gz XWFSOEYOITUIOZ-UWWQBHOKSA-N 1 0 372.469 2.684 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001341688147 1050308563 /nfs/dbraw/zinc/30/85/63/1050308563.db2.gz DTWOZHWDHGJGLT-HBFSDRIKSA-N 1 0 359.514 2.778 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3cc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001341987536 1050582618 /nfs/dbraw/zinc/58/26/18/1050582618.db2.gz FNRHDKQTCIMCKG-CQSZACIVSA-N 1 0 371.506 2.659 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCCC3(F)F)cc2)CC1 ZINC001303084291 1051272634 /nfs/dbraw/zinc/27/26/34/1051272634.db2.gz DVEZQMCSVVNLRU-KRWDZBQOSA-N 1 0 351.441 2.880 20 10 FFCDRO Cc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001304238859 1051577229 /nfs/dbraw/zinc/57/72/29/1051577229.db2.gz XPHKTCQNVAZCFC-OXJNMPFZSA-N 1 0 368.529 2.682 20 10 FFCDRO C[C@@H](N)c1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC001343527647 1052285510 /nfs/dbraw/zinc/28/55/10/1052285510.db2.gz URMKCPHWQIPCGB-TZMCWYRMSA-N 1 0 361.467 2.690 20 10 FFCDRO CCCN(CC[NH+]1CCCCCC1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001307808366 1052351812 /nfs/dbraw/zinc/35/18/12/1052351812.db2.gz NEDVQLWAPYOMAG-UHFFFAOYSA-N 1 0 374.573 2.957 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC001308290795 1052442589 /nfs/dbraw/zinc/44/25/89/1052442589.db2.gz XOGUYISRMXMLAR-UTKZUKDTSA-N 1 0 365.477 2.807 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C ZINC001308380459 1052451513 /nfs/dbraw/zinc/45/15/13/1052451513.db2.gz WOCKTYVISBFTPJ-DLBZAZTESA-N 1 0 354.516 2.591 20 10 FFCDRO COc1cc(C)c(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)c(O)c1 ZINC001308768280 1052497861 /nfs/dbraw/zinc/49/78/61/1052497861.db2.gz UYBMDVVBMDHHLS-UHFFFAOYSA-N 1 0 371.437 2.505 20 10 FFCDRO CO[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001335847570 1053599722 /nfs/dbraw/zinc/59/97/22/1053599722.db2.gz OIHCLNACZOBUSR-RTWAWAEBSA-N 1 0 371.525 2.650 20 10 FFCDRO COC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC001336751446 1054194100 /nfs/dbraw/zinc/19/41/00/1054194100.db2.gz RKKZDYWKBRPADN-MSOLQXFVSA-N 1 0 374.485 2.635 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc([S@@](C)=O)cc2)N(C)C)cc1 ZINC001352109781 1055195737 /nfs/dbraw/zinc/19/57/37/1055195737.db2.gz AATXLEQYTCRCNI-CJFMBICVSA-N 1 0 359.539 2.883 20 10 FFCDRO CCc1cccc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000848896442 1055323927 /nfs/dbraw/zinc/32/39/27/1055323927.db2.gz AZDSWUHQCFQPQW-UHFFFAOYSA-N 1 0 373.541 2.769 20 10 FFCDRO C[C@@H]1CC[N@H+](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000847425298 1055755720 /nfs/dbraw/zinc/75/57/20/1055755720.db2.gz FRTHNNMAPREAKG-CQSZACIVSA-N 1 0 367.440 2.715 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@]34CC[NH2+][C@H]3CCCC4)CC2)cc1 ZINC001357391841 1055889604 /nfs/dbraw/zinc/88/96/04/1055889604.db2.gz MTQFISHSOWPFOL-PZJWPPBQSA-N 1 0 357.498 2.703 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001357668518 1055978909 /nfs/dbraw/zinc/97/89/09/1055978909.db2.gz OBTWWZBSZRYCTQ-UZLBHIALSA-N 1 0 352.482 2.979 20 10 FFCDRO Fc1cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)ccc1N1CCOCC1 ZINC000849352897 1056837706 /nfs/dbraw/zinc/83/77/06/1056837706.db2.gz RVDJCMYPNVCGEB-NRFANRHFSA-N 1 0 371.456 2.935 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)C(C)(C)CC)cc2F)CC1 ZINC001443589314 1058222826 /nfs/dbraw/zinc/22/28/26/1058222826.db2.gz CQVRPBYLLCNUTF-UHFFFAOYSA-N 1 0 363.477 2.589 20 10 FFCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000848392896 1059925553 /nfs/dbraw/zinc/92/55/53/1059925553.db2.gz JPYTWIIBSSIAKG-OXJNMPFZSA-N 1 0 366.509 2.710 20 10 FFCDRO Cn1cnnc1N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000848498810 1060175101 /nfs/dbraw/zinc/17/51/01/1060175101.db2.gz ZJHRWTQGECWVDY-UHFFFAOYSA-N 1 0 363.421 2.742 20 10 FFCDRO Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001510672251 1060259761 /nfs/dbraw/zinc/25/97/61/1060259761.db2.gz HTDYRGJAVBHQRE-UHFFFAOYSA-N 1 0 370.545 2.930 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC[NH2+]1 ZINC001521554871 1060960967 /nfs/dbraw/zinc/96/09/67/1060960967.db2.gz LSDRBEKUCWFDRS-POAQFYNOSA-N 1 0 359.514 2.648 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1C ZINC001461251491 1061267517 /nfs/dbraw/zinc/26/75/17/1061267517.db2.gz GKNLUGMVSFYSAU-QGZVFWFLSA-N 1 0 356.470 2.721 20 10 FFCDRO C[C@@H](CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)[NH+](C)C ZINC001476768560 1061475539 /nfs/dbraw/zinc/47/55/39/1061475539.db2.gz KTOUESOFLRNTOM-AWEZNQCLSA-N 1 0 352.442 2.858 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC001462370716 1061596802 /nfs/dbraw/zinc/59/68/02/1061596802.db2.gz PBXLZVZVMNAAKO-INIZCTEOSA-N 1 0 361.463 2.840 20 10 FFCDRO CC(C)Cn1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001463282993 1062031868 /nfs/dbraw/zinc/03/18/68/1062031868.db2.gz QDIXJEGIESECOA-IBGZPJMESA-N 1 0 357.502 2.638 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc(N(C)C)nc3)cc2F)C[C@H](C)O1 ZINC001473940528 1065424403 /nfs/dbraw/zinc/42/44/03/1065424403.db2.gz HJQHKNQTRMXCIA-GASCZTMLSA-N 1 0 373.476 2.585 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3nc4ccccc4o3)CC2)cc1 ZINC001473962201 1065429801 /nfs/dbraw/zinc/42/98/01/1065429801.db2.gz ZPPXRKBFXGVVHK-UHFFFAOYSA-N 1 0 366.465 2.748 20 10 FFCDRO COC(=O)c1sccc1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001474742806 1065594661 /nfs/dbraw/zinc/59/46/61/1065594661.db2.gz ZGNINMZQNYEYQO-QGZVFWFLSA-N 1 0 361.511 2.993 20 10 FFCDRO CCc1nnc(N2CC[C@@H]([NH3+])[C@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578314599 1078462182 /nfs/dbraw/zinc/46/21/82/1078462182.db2.gz BKWLMDXRTANOOT-NVXWUHKLSA-N 1 0 374.508 2.658 20 10 FFCDRO CN(C)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH2+]CC2)cc1F ZINC001578426153 1078473041 /nfs/dbraw/zinc/47/30/41/1078473041.db2.gz WCPUXWHHVRWFBP-UHFFFAOYSA-N 1 0 374.508 2.530 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1F ZINC001583476809 1079220897 /nfs/dbraw/zinc/22/08/97/1079220897.db2.gz XMSOPHWGCVJFKF-UHFFFAOYSA-N 1 0 359.420 2.955 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC001583475443 1079220968 /nfs/dbraw/zinc/22/09/68/1079220968.db2.gz GZBJUPSUNHTUBO-OAQYLSRUSA-N 1 0 367.468 2.924 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@]2(O)CCCC(C)(C)C2)[NH+](C)C)cc1 ZINC001558723505 1076063383 /nfs/dbraw/zinc/06/33/83/1076063383.db2.gz QEWRHFCHAHFWLX-NQIIRXRSSA-N 1 0 361.530 2.803 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc1C=O ZINC001558723377 1076063455 /nfs/dbraw/zinc/06/34/55/1076063455.db2.gz MYIPOQMGWSDVMD-MRXNPFEDSA-N 1 0 359.495 2.968 20 10 FFCDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(F)c1O ZINC001560378488 1076268791 /nfs/dbraw/zinc/26/87/91/1076268791.db2.gz CKZSZJBSYSUPCY-UHFFFAOYSA-N 1 0 351.809 2.957 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001560831058 1076302653 /nfs/dbraw/zinc/30/26/53/1076302653.db2.gz LDDAQJHTIRSQAD-ZDUSSCGKSA-N 1 0 372.412 2.786 20 10 FFCDRO CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968279 1076314895 /nfs/dbraw/zinc/31/48/95/1076314895.db2.gz JAHPEERSHYABJT-LSDHHAIUSA-N 1 0 361.392 2.675 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CS1 ZINC001564923471 1076670414 /nfs/dbraw/zinc/67/04/14/1076670414.db2.gz QBWBZAPWDJIRJA-UKPHBRMFSA-N 1 0 350.532 2.549 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CCCC(C)(C)C3)C2)cc1 ZINC001565055732 1076681344 /nfs/dbraw/zinc/68/13/44/1076681344.db2.gz JKJDCSWRBDCCBI-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2C(C)(C)C2(F)F)[NH+](C)C)cc1 ZINC001565125632 1076687934 /nfs/dbraw/zinc/68/79/34/1076687934.db2.gz UUQANTGADZSSIB-CVEARBPZSA-N 1 0 368.472 2.946 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c2c1c(F)ccc2O ZINC001590203743 1081088491 /nfs/dbraw/zinc/08/84/91/1081088491.db2.gz BCPHIHNDTNYGDC-XHDPSFHLSA-N 1 0 369.400 2.928 20 10 FFCDRO CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000091867431 508020529 /nfs/dbraw/zinc/02/05/29/508020529.db2.gz NCLKRSCEQYPEPK-INIZCTEOSA-N 1 0 373.501 2.551 20 10 FFCDRO C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000111235062 508080743 /nfs/dbraw/zinc/08/07/43/508080743.db2.gz JIQNPZBFFNEPHQ-LJQANCHMSA-N 1 0 358.413 2.563 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093087548 508121132 /nfs/dbraw/zinc/12/11/32/508121132.db2.gz UNMRHHHYLXMYIV-UHFFFAOYSA-N 1 0 353.260 2.742 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cc1 ZINC000093321170 508139470 /nfs/dbraw/zinc/13/94/70/508139470.db2.gz FLJOCQUJPGOEKB-UHFFFAOYSA-N 1 0 367.559 2.779 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)c1O ZINC000093871533 508157718 /nfs/dbraw/zinc/15/77/18/508157718.db2.gz JSUBVTWLBWSJHG-UHFFFAOYSA-N 1 0 362.499 2.917 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000081364266 508167868 /nfs/dbraw/zinc/16/78/68/508167868.db2.gz QLXKIBWLDCTMHT-AQDCRGGLSA-N 1 0 371.525 2.727 20 10 FFCDRO Cc1cc(CN2CCN(Cc3cc(Br)ccc3O)CC2)on1 ZINC000122330044 508518189 /nfs/dbraw/zinc/51/81/89/508518189.db2.gz OHLUKTNFACLRCE-UHFFFAOYSA-N 1 0 366.259 2.769 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000371451527 512409186 /nfs/dbraw/zinc/40/91/86/512409186.db2.gz RYJMLOFQEKPBQU-SIKLNZKXSA-N 1 0 370.493 2.738 20 10 FFCDRO Oc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1Br ZINC000130999289 508875026 /nfs/dbraw/zinc/87/50/26/508875026.db2.gz DYRGZEOAUDRXAC-ZDUSSCGKSA-N 1 0 352.228 2.684 20 10 FFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160044896 508929983 /nfs/dbraw/zinc/92/99/83/508929983.db2.gz KPDHKEPHODHQNZ-CABCVRRESA-N 1 0 364.486 2.926 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])CCSC ZINC000121511237 509177234 /nfs/dbraw/zinc/17/72/34/509177234.db2.gz IEOPRHXHUBLRLH-LBPRGKRZSA-N 1 0 361.305 2.584 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000247981017 509208298 /nfs/dbraw/zinc/20/82/98/509208298.db2.gz HNOAIMFHDRMWRG-PKOBYXMFSA-N 1 0 355.438 2.645 20 10 FFCDRO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163480262 509381217 /nfs/dbraw/zinc/38/12/17/509381217.db2.gz WUFOHDDQRVBZIB-FUHWJXTLSA-N 1 0 366.477 2.899 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000185859868 509390613 /nfs/dbraw/zinc/39/06/13/509390613.db2.gz VOHUNMBDVPLTIC-UHFFFAOYSA-N 1 0 359.495 2.582 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1O ZINC000179474653 509464646 /nfs/dbraw/zinc/46/46/46/509464646.db2.gz FCXKVFRLCCLILQ-WMZOPIPTSA-N 1 0 355.438 2.645 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000236917502 509533617 /nfs/dbraw/zinc/53/36/17/509533617.db2.gz JWCZYRYPJZKWIT-AWEZNQCLSA-N 1 0 367.287 2.893 20 10 FFCDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237576689 509681609 /nfs/dbraw/zinc/68/16/09/509681609.db2.gz NPGJVMSRZKAALJ-DYESRHJHSA-N 1 0 367.493 2.818 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192978645 509722004 /nfs/dbraw/zinc/72/20/04/509722004.db2.gz BRKFVRSPPAYZMH-OAHLLOKOSA-N 1 0 359.495 2.785 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1OC ZINC000180337725 509873939 /nfs/dbraw/zinc/87/39/39/509873939.db2.gz APFIOTCMPFXSGW-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)ccc21 ZINC000174216317 510007281 /nfs/dbraw/zinc/00/72/81/510007281.db2.gz ZYRDHVAIFVBZON-SFHVURJKSA-N 1 0 356.514 2.696 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cc(OCC)ccc2O)n1 ZINC000190346846 510078019 /nfs/dbraw/zinc/07/80/19/510078019.db2.gz VWBBJZWOSPCQQJ-UHFFFAOYSA-N 1 0 350.440 2.756 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2cccc(OCC)c2O)n1 ZINC000190349793 510079481 /nfs/dbraw/zinc/07/94/81/510079481.db2.gz IBPCOUCDWQMHDB-UHFFFAOYSA-N 1 0 350.440 2.756 20 10 FFCDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000268867583 510108056 /nfs/dbraw/zinc/10/80/56/510108056.db2.gz TVIRNSIZNJMYEF-NNGSBXSVSA-N 1 0 363.477 2.760 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000177522872 510112732 /nfs/dbraw/zinc/11/27/32/510112732.db2.gz MQSYTWVRQWZMOF-YGQKLEOUSA-N 1 0 357.498 2.525 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000193883127 510113869 /nfs/dbraw/zinc/11/38/69/510113869.db2.gz XXPTYFBYUKRVEM-CWRNSKLLSA-N 1 0 350.434 2.655 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265937200 510310943 /nfs/dbraw/zinc/31/09/43/510310943.db2.gz QCSZCKDVKSQGJY-HXUWFJFHSA-N 1 0 354.498 2.833 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000171708214 510323015 /nfs/dbraw/zinc/32/30/15/510323015.db2.gz WFFXOBTXNAZTJT-VMPITWQZSA-N 1 0 369.509 2.527 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178181792 510474283 /nfs/dbraw/zinc/47/42/83/510474283.db2.gz YSMSBSMDEBZBGE-AWEZNQCLSA-N 1 0 357.429 2.612 20 10 FFCDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246513554 510530947 /nfs/dbraw/zinc/53/09/47/510530947.db2.gz QTOYVKZPVPRRGT-KGLIPLIRSA-N 1 0 353.413 2.515 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(F)c1[O-] ZINC000191196487 510544004 /nfs/dbraw/zinc/54/40/04/510544004.db2.gz DPEJJOIOUSLELH-ZDUSSCGKSA-N 1 0 362.424 2.668 20 10 FFCDRO CCCN(Cc1c(C)nn(CCC(=O)OC)c1C)c1ccc(C[NH3+])cc1 ZINC000194978785 510617852 /nfs/dbraw/zinc/61/78/52/510617852.db2.gz KDOWOGSEXNSBCI-UHFFFAOYSA-N 1 0 358.486 2.938 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1O ZINC000185110781 510690550 /nfs/dbraw/zinc/69/05/50/510690550.db2.gz WPGDQVGEJLKWER-LBPRGKRZSA-N 1 0 352.431 2.632 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000185276985 510784846 /nfs/dbraw/zinc/78/48/46/510784846.db2.gz MRHQRCVLAXTRAT-OAHLLOKOSA-N 1 0 358.461 2.974 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185340907 510813695 /nfs/dbraw/zinc/81/36/95/510813695.db2.gz CADLYAAAHBKDLW-YLJYHZDGSA-N 1 0 368.477 2.821 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185340890 510813986 /nfs/dbraw/zinc/81/39/86/510813986.db2.gz CADLYAAAHBKDLW-PXNSSMCTSA-N 1 0 368.477 2.821 20 10 FFCDRO CC(C)[NH+]1CCC(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000263738795 510819544 /nfs/dbraw/zinc/81/95/44/510819544.db2.gz ULWXUKQRGAXAFC-UHFFFAOYSA-N 1 0 360.546 2.516 20 10 FFCDRO CCOC1CC(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)(N2CCOCC2)C1 ZINC000285439081 510906693 /nfs/dbraw/zinc/90/66/93/510906693.db2.gz YZIUCBJXRZECEQ-MPQSDHOMSA-N 1 0 362.514 2.930 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000275845996 510919077 /nfs/dbraw/zinc/91/90/77/510919077.db2.gz QWJWDQHPWLNLRL-WMLDXEAASA-N 1 0 367.471 2.628 20 10 FFCDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287318408 511046926 /nfs/dbraw/zinc/04/69/26/511046926.db2.gz WFHKGKQNVXOERD-UHFFFAOYSA-N 1 0 374.529 2.541 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000289224376 511095510 /nfs/dbraw/zinc/09/55/10/511095510.db2.gz CPKKLOLCCPGWCD-UHFFFAOYSA-N 1 0 356.894 2.605 20 10 FFCDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289567538 511105524 /nfs/dbraw/zinc/10/55/24/511105524.db2.gz ZHNUZSMOYOGNPK-CYBMUJFWSA-N 1 0 374.437 2.925 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@](O)(c3nc(C4CC4)no3)C2)c(O)c1 ZINC000290413141 511136653 /nfs/dbraw/zinc/13/66/53/511136653.db2.gz KETUUHXVOJTCBT-IBGZPJMESA-N 1 0 359.426 2.535 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1OC ZINC000271854424 511348659 /nfs/dbraw/zinc/34/86/59/511348659.db2.gz JCLPCKPLQFRBPP-UHFFFAOYSA-N 1 0 374.437 2.652 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NCCCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000298859651 511434100 /nfs/dbraw/zinc/43/41/00/511434100.db2.gz CKHGXJUUJSZBBQ-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000292216289 511509531 /nfs/dbraw/zinc/50/95/31/511509531.db2.gz ZJLMXAPXRWNWFW-HUUCEWRRSA-N 1 0 367.440 2.905 20 10 FFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000273156736 511518849 /nfs/dbraw/zinc/51/88/49/511518849.db2.gz ASWMFRWUVUXJOT-AWEZNQCLSA-N 1 0 365.493 2.570 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](C)O[C@@]4(CCOC4)C3)cc2)CC1 ZINC000295983064 511578922 /nfs/dbraw/zinc/57/89/22/511578922.db2.gz LIUVYXQIYYBUIO-UTKZUKDTSA-N 1 0 360.498 2.682 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1OCCc2sccc21 ZINC000292474308 511609842 /nfs/dbraw/zinc/60/98/42/511609842.db2.gz RPSCRCNLASHTPL-JLTOFOAXSA-N 1 0 373.522 2.722 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272359 511679675 /nfs/dbraw/zinc/67/96/75/511679675.db2.gz DRCAUXREHWIUGH-MCFWBGNESA-N 1 0 373.902 2.883 20 10 FFCDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000274071743 511711269 /nfs/dbraw/zinc/71/12/69/511711269.db2.gz PHSIIABNLDZACJ-UHFFFAOYSA-N 1 0 366.870 2.875 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000363961986 511875948 /nfs/dbraw/zinc/87/59/48/511875948.db2.gz KMIOVEWSXWCTKK-MJGOQNOKSA-N 1 0 372.513 2.544 20 10 FFCDRO C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])ccn1 ZINC000293523708 511995881 /nfs/dbraw/zinc/99/58/81/511995881.db2.gz DFEQODDRZQTHGK-UHFFFAOYSA-N 1 0 353.825 2.810 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1O ZINC000274984994 512007831 /nfs/dbraw/zinc/00/78/31/512007831.db2.gz YCHKGZQPZZVUDW-UHFFFAOYSA-N 1 0 363.845 2.576 20 10 FFCDRO CN1CCN(C)[C@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293787716 512084506 /nfs/dbraw/zinc/08/45/06/512084506.db2.gz QLZGMYYMNDTOAV-CTNGQTDRSA-N 1 0 353.510 2.902 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000374012758 512620871 /nfs/dbraw/zinc/62/08/71/512620871.db2.gz FZORDWLJABVZGE-WTOJCKNJSA-N 1 0 351.418 2.892 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000374428748 512829338 /nfs/dbraw/zinc/82/93/38/512829338.db2.gz MSKLHMWGHNHZTF-KBAYOESNSA-N 1 0 366.889 2.932 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(=O)[nH]1 ZINC000370293583 512863306 /nfs/dbraw/zinc/86/33/06/512863306.db2.gz HDRHBZMECZIMSM-AWEZNQCLSA-N 1 0 361.829 2.541 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c(O)c1 ZINC000368621832 513030243 /nfs/dbraw/zinc/03/02/43/513030243.db2.gz BDJWUNUGCIYINO-OAHLLOKOSA-N 1 0 359.470 2.996 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H]2CCOC2)C1 ZINC000435810328 513690042 /nfs/dbraw/zinc/69/00/42/513690042.db2.gz SHZBQMOXPHNLGH-QGZVFWFLSA-N 1 0 369.509 2.903 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@@H](C)C2)C1 ZINC000435908101 513713324 /nfs/dbraw/zinc/71/33/24/513713324.db2.gz NBKIZWVDLFUDFF-KRWDZBQOSA-N 1 0 369.509 2.903 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCn3nccc32)C1 ZINC000560389938 517761282 /nfs/dbraw/zinc/76/12/82/517761282.db2.gz CXBCWLGDIOVEDA-UHFFFAOYSA-N 1 0 363.465 2.651 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CO)C2CCC2)C1 ZINC000617312098 520425116 /nfs/dbraw/zinc/42/51/16/520425116.db2.gz RNFBQSQUYDCGHP-IBGZPJMESA-N 1 0 369.509 2.685 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000825643087 607703957 /nfs/dbraw/zinc/70/39/57/607703957.db2.gz IGPGEIUSQBNQEU-UHFFFAOYSA-N 1 0 351.410 2.750 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)s1)c1ccc(N2CCOCC2)cc1 ZINC000820431858 606413008 /nfs/dbraw/zinc/41/30/08/606413008.db2.gz IYIOHPLWLJNGNT-ZDUSSCGKSA-N 1 0 370.482 2.616 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825323196 608366263 /nfs/dbraw/zinc/36/62/63/608366263.db2.gz RBGIBXYMAYAGIM-UHFFFAOYSA-N 1 0 353.426 2.993 20 10 FFCDRO OC[C@@H]1CCCN(c2cc(NCCCSc3nccs3)ncn2)C1 ZINC000156411006 728850654 /nfs/dbraw/zinc/85/06/54/728850654.db2.gz BUVCBUZDUBCJFD-CYBMUJFWSA-N 1 0 365.528 2.736 20 10 FFCDRO CCOc1cccc(C[NH2+][C@]23CCC[C@@]2(OCCOC)OCC3)c1O ZINC000898001429 735302202 /nfs/dbraw/zinc/30/22/02/735302202.db2.gz ODQXORXSTVXECU-OALUTQOASA-N 1 0 351.443 2.583 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(Cl)ccc2O)cc1 ZINC000093685803 728477396 /nfs/dbraw/zinc/47/73/96/728477396.db2.gz SWFDHFIVPIOOCI-UHFFFAOYSA-N 1 0 368.886 2.764 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3nccs3)cc2F)CC1 ZINC000106506666 728510910 /nfs/dbraw/zinc/51/09/10/728510910.db2.gz RASSGDZWZNAWTM-UHFFFAOYSA-N 1 0 363.462 2.746 20 10 FFCDRO C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]1 ZINC000121671026 728635116 /nfs/dbraw/zinc/63/51/16/728635116.db2.gz MBQOBQZYOKYXAG-FZKQIMNGSA-N 1 0 353.413 2.515 20 10 FFCDRO O=C(CC1(O)CCCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129964405 728714242 /nfs/dbraw/zinc/71/42/42/728714242.db2.gz SRQRHPIYPMRULI-INIZCTEOSA-N 1 0 366.889 2.821 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000182439812 729278185 /nfs/dbraw/zinc/27/81/85/729278185.db2.gz OSTKMBUXOFHMBP-RYUDHWBXSA-N 1 0 360.376 2.852 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000188807443 729391949 /nfs/dbraw/zinc/39/19/49/729391949.db2.gz MWFBDBWKVQIWCY-WBMJQRKESA-N 1 0 363.376 2.983 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)C1 ZINC000924727064 738441948 /nfs/dbraw/zinc/44/19/48/738441948.db2.gz DGUFEENMKZMRFH-WELJNPPOSA-N 1 0 359.539 2.905 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000856597064 730346930 /nfs/dbraw/zinc/34/69/30/730346930.db2.gz RNADFCLHGFTZCD-SFHVURJKSA-N 1 0 365.861 2.869 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858108223 730416745 /nfs/dbraw/zinc/41/67/45/730416745.db2.gz YEYUSVLOTXPPKI-OAHLLOKOSA-N 1 0 350.409 2.869 20 10 FFCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)N1C[C@@H](C)O[C@@H](C)C1 ZINC000858185222 730419079 /nfs/dbraw/zinc/41/90/79/730419079.db2.gz AJSZIBWFUUYQJQ-UPJWGTAASA-N 1 0 357.292 2.742 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603950 730429724 /nfs/dbraw/zinc/42/97/24/730429724.db2.gz YIJCFMPQAJOFBO-IINYFYTJSA-N 1 0 353.260 2.959 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925149598 738483330 /nfs/dbraw/zinc/48/33/30/738483330.db2.gz RYHVGISOQVUCHP-SJORKVTESA-N 1 0 363.527 2.894 20 10 FFCDRO CCOC(=O)CC1([NH2+]Cc2c(O)cccc2Br)CCOCC1 ZINC000862417463 730699676 /nfs/dbraw/zinc/69/96/76/730699676.db2.gz CYTRHCGQMRUMLB-UHFFFAOYSA-N 1 0 372.259 2.747 20 10 FFCDRO C[C@@](CO)([NH2+]Cc1ccc(Br)cc1O)c1cccc(O)c1 ZINC000862433611 730702211 /nfs/dbraw/zinc/70/22/11/730702211.db2.gz ZKCCONFGAIANGK-INIZCTEOSA-N 1 0 352.228 2.858 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1Cl ZINC000862536768 730707315 /nfs/dbraw/zinc/70/73/15/730707315.db2.gz UVXMEPKJIWACOW-KRWDZBQOSA-N 1 0 361.873 2.740 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000862536951 730707462 /nfs/dbraw/zinc/70/74/62/730707462.db2.gz ZEFYPGXHLFAJGW-UHFFFAOYSA-N 1 0 362.813 2.854 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CCOCC1 ZINC000866763907 731096705 /nfs/dbraw/zinc/09/67/05/731096705.db2.gz JMAUPBVIZKUZGK-HNNXBMFYSA-N 1 0 370.852 2.645 20 10 FFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000773610246 737923703 /nfs/dbraw/zinc/92/37/03/737923703.db2.gz HBMQIDINCJWXQL-GFCCVEGCSA-N 1 0 370.877 2.714 20 10 FFCDRO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000876717559 732272112 /nfs/dbraw/zinc/27/21/12/732272112.db2.gz DGBXDPAERBWRTG-IRXDYDNUSA-N 1 0 358.404 2.535 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cnn3cc(Br)cnc23)cc1 ZINC000876904990 732295205 /nfs/dbraw/zinc/29/52/05/732295205.db2.gz BUEZBJXTXXVTFZ-UHFFFAOYSA-N 1 0 360.259 2.848 20 10 FFCDRO O=C1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCN1 ZINC000877071050 732321630 /nfs/dbraw/zinc/32/16/30/732321630.db2.gz CIDPWBIZEZPCNQ-ZIAGYGMSSA-N 1 0 353.413 2.515 20 10 FFCDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877075812 732321694 /nfs/dbraw/zinc/32/16/94/732321694.db2.gz IHKCMWGBMWMFKU-SZUKKWSHSA-N 1 0 364.555 2.817 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CCNC3=O)CC2)c(C(F)(F)F)c1 ZINC000877782732 732429995 /nfs/dbraw/zinc/42/99/95/732429995.db2.gz LUFSZIAFMDIYQY-UHFFFAOYSA-N 1 0 355.404 2.874 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nc(Cl)ccc3F)cc2)CC1 ZINC000881852711 733120727 /nfs/dbraw/zinc/12/07/27/733120727.db2.gz YSVVFRCHSPLJIA-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Br)ccc1O ZINC000927040952 738684737 /nfs/dbraw/zinc/68/47/37/738684737.db2.gz KHOXZRZHHVMDCY-NSNUZPRRSA-N 1 0 374.300 2.914 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)C(F)(F)F ZINC000883195259 733349425 /nfs/dbraw/zinc/34/94/25/733349425.db2.gz OQGZJLNQHRAVEF-IRXDYDNUSA-N 1 0 360.420 2.685 20 10 FFCDRO [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229275 733498741 /nfs/dbraw/zinc/49/87/41/733498741.db2.gz MECIIMJSVPXUCK-BBRMVZONSA-N 1 0 353.413 2.500 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000886670626 733814734 /nfs/dbraw/zinc/81/47/34/733814734.db2.gz SSRJHVQWIUMZTQ-CYZMBNFOSA-N 1 0 374.275 2.744 20 10 FFCDRO CC(C)[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCCC1 ZINC000729605573 734585954 /nfs/dbraw/zinc/58/59/54/734585954.db2.gz QVCNUSREXNTMQT-SFHVURJKSA-N 1 0 350.482 2.811 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000783724900 738829647 /nfs/dbraw/zinc/82/96/47/738829647.db2.gz XZQBTYZYIAHACK-ZDUSSCGKSA-N 1 0 371.319 2.740 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c(O)c1OC ZINC000893140905 734658058 /nfs/dbraw/zinc/65/80/58/734658058.db2.gz ZJHIRDTVIODMRB-CYBMUJFWSA-N 1 0 363.845 2.826 20 10 FFCDRO O=C(Nc1nncs1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731853239 734701179 /nfs/dbraw/zinc/70/11/79/734701179.db2.gz ZRTULKBBCQEDPD-GFCCVEGCSA-N 1 0 367.862 2.683 20 10 FFCDRO Cc1[nH+]c2cc(NCc3cc(Cl)ccc3O)ccc2n1C(CO)CO ZINC000894927390 734937836 /nfs/dbraw/zinc/93/78/36/734937836.db2.gz VCIKNZFWVDRFCS-UHFFFAOYSA-N 1 0 361.829 2.842 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000895792209 735056394 /nfs/dbraw/zinc/05/63/94/735056394.db2.gz BLKAWOFEKHWLOH-WBVHZDCISA-N 1 0 354.445 2.700 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c(O)c1OC ZINC000895939214 735077421 /nfs/dbraw/zinc/07/74/21/735077421.db2.gz QAEFWFRQWKZEBF-HNNXBMFYSA-N 1 0 351.830 2.756 20 10 FFCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000740865740 735093198 /nfs/dbraw/zinc/09/31/98/735093198.db2.gz ZAICQHLKYQBUNN-ZDUSSCGKSA-N 1 0 363.479 2.884 20 10 FFCDRO C[C@]1([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)COC(=O)N1 ZINC000896395418 735153134 /nfs/dbraw/zinc/15/31/34/735153134.db2.gz IRXFJTCPLAPVIT-BLLLJJGKSA-N 1 0 369.259 2.865 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000741752656 735160558 /nfs/dbraw/zinc/16/05/58/735160558.db2.gz DGAVLFREUFGCIS-HNNXBMFYSA-N 1 0 361.511 2.983 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cncc(F)c2Cl)[NH+](C)C)cc1 ZINC000900861396 735708154 /nfs/dbraw/zinc/70/81/54/735708154.db2.gz AFBBVQNQPBLJJT-MRXNPFEDSA-N 1 0 364.852 2.973 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1O ZINC000903188229 736051692 /nfs/dbraw/zinc/05/16/92/736051692.db2.gz BQDBGSYDQFAZHR-CYBMUJFWSA-N 1 0 370.515 2.692 20 10 FFCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000903369665 736083884 /nfs/dbraw/zinc/08/38/84/736083884.db2.gz ZHWPHBUERVJEMO-VQIMIIECSA-N 1 0 366.527 2.531 20 10 FFCDRO OCC1(C[C@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCCC1 ZINC000905052930 736289537 /nfs/dbraw/zinc/28/95/37/736289537.db2.gz XQQLDPSPYDYKET-IBGZPJMESA-N 1 0 364.555 2.633 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756445869 736331853 /nfs/dbraw/zinc/33/18/53/736331853.db2.gz PVXYBJJWZSNXDH-ABAIWWIYSA-N 1 0 364.442 2.778 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000756680679 736351774 /nfs/dbraw/zinc/35/17/74/736351774.db2.gz AMIXTLBZWVSJJU-LLVKDONJSA-N 1 0 370.496 2.563 20 10 FFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCSc1nccs1 ZINC000758582782 736503592 /nfs/dbraw/zinc/50/35/92/736503592.db2.gz MPQKGPQSHCJUDU-CYBMUJFWSA-N 1 0 356.561 2.997 20 10 FFCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(C(F)(F)F)cc1 ZINC000758633303 736508189 /nfs/dbraw/zinc/50/81/89/736508189.db2.gz UFOSQTZBUWMQJI-ZDUSSCGKSA-N 1 0 355.312 2.963 20 10 FFCDRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1[NH+](C)C ZINC000760210641 736621826 /nfs/dbraw/zinc/62/18/26/736621826.db2.gz YEKFHNZNSWMDPT-SJORKVTESA-N 1 0 358.511 2.607 20 10 FFCDRO C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[NH+]1CCCCC1 ZINC000761125352 736698234 /nfs/dbraw/zinc/69/82/34/736698234.db2.gz QSOAMAVGYKAYNF-ZDUSSCGKSA-N 1 0 365.861 2.684 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764780697 737048950 /nfs/dbraw/zinc/04/89/50/737048950.db2.gz RQXGNSANXSPZDI-CYBMUJFWSA-N 1 0 370.291 2.828 20 10 FFCDRO CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC000765684737 737144440 /nfs/dbraw/zinc/14/44/40/737144440.db2.gz LKGGQWNAVXNMLS-BBRMVZONSA-N 1 0 355.429 2.713 20 10 FFCDRO CC(C)SCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768533329 737430012 /nfs/dbraw/zinc/43/00/12/737430012.db2.gz MNVLLOBKWWPWGC-UHFFFAOYSA-N 1 0 361.555 2.976 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1 ZINC000768781280 737457231 /nfs/dbraw/zinc/45/72/31/737457231.db2.gz RUKGECRUWMFWDV-UHFFFAOYSA-N 1 0 360.376 2.681 20 10 FFCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769427048 737528284 /nfs/dbraw/zinc/52/82/84/737528284.db2.gz FSFAIUUDVFGUAA-GOSISDBHSA-N 1 0 360.479 2.573 20 10 FFCDRO COC[C@H](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055409 737689745 /nfs/dbraw/zinc/68/97/45/737689745.db2.gz CBKSOGDMISARFF-CZUORRHYSA-N 1 0 354.878 2.799 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3Nc4ccc(Cl)cc4C(=O)N3)cc2)CC1 ZINC000771518423 737732106 /nfs/dbraw/zinc/73/21/06/737732106.db2.gz ROBKWEALMLJMIK-GOSISDBHSA-N 1 0 356.857 2.946 20 10 FFCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000773326825 737894573 /nfs/dbraw/zinc/89/45/73/737894573.db2.gz BZTXLVCSQWCQPP-IBGZPJMESA-N 1 0 351.443 2.821 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)ccc1O ZINC000775513069 738098453 /nfs/dbraw/zinc/09/84/53/738098453.db2.gz NNHWDQSKJBTADY-CYBMUJFWSA-N 1 0 364.243 2.890 20 10 FFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000776868113 738240145 /nfs/dbraw/zinc/24/01/45/738240145.db2.gz GWGWYOVYVCQJJT-DIOULYMOSA-N 1 0 374.275 2.626 20 10 FFCDRO CC(C)(O)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787443205 739137492 /nfs/dbraw/zinc/13/74/92/739137492.db2.gz BNPMUEMKLGDBES-OAHLLOKOSA-N 1 0 354.878 2.677 20 10 FFCDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792998409 739728952 /nfs/dbraw/zinc/72/89/52/739728952.db2.gz VGPGNESBANMPTQ-FFSVYQOJSA-N 1 0 355.404 2.870 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000799726341 740445622 /nfs/dbraw/zinc/44/56/22/740445622.db2.gz OAHVXMOGQSUELK-GFCCVEGCSA-N 1 0 370.421 2.608 20 10 FFCDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000801735045 740646957 /nfs/dbraw/zinc/64/69/57/740646957.db2.gz OTLPTUCJGKPEPE-ZDUSSCGKSA-N 1 0 368.886 2.892 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H](OC(F)F)C2)c1O ZINC000802658703 740716161 /nfs/dbraw/zinc/71/61/61/740716161.db2.gz OHAHAQCOFBSROE-JTQLQIEISA-N 1 0 352.175 2.977 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805183991 740948308 /nfs/dbraw/zinc/94/83/08/740948308.db2.gz JCQSWXYEFRDFKM-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809713346 741336053 /nfs/dbraw/zinc/33/60/53/741336053.db2.gz MXHKSMQYUPMRBC-UHFFFAOYSA-N 1 0 371.256 2.946 20 10 FFCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000809726308 741337300 /nfs/dbraw/zinc/33/73/00/741337300.db2.gz MLRJGPGMMXTTSR-CQSZACIVSA-N 1 0 350.415 2.612 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000809764225 741341330 /nfs/dbraw/zinc/34/13/30/741341330.db2.gz CNPBSJNFLRRDOB-SMDDNHRTSA-N 1 0 357.292 2.935 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(O)c1 ZINC000811515079 741532645 /nfs/dbraw/zinc/53/26/45/741532645.db2.gz VEMQZWQZOAFPMF-GFCCVEGCSA-N 1 0 360.376 2.681 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@H]1n1cccn1 ZINC000816672285 742052515 /nfs/dbraw/zinc/05/25/15/742052515.db2.gz VOYWQKTYKWVATG-IIAWOOMASA-N 1 0 351.834 2.759 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@@H]1n1cccn1 ZINC000816672286 742052639 /nfs/dbraw/zinc/05/26/39/742052639.db2.gz VOYWQKTYKWVATG-LZWOXQAQSA-N 1 0 351.834 2.759 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N(C3CC3)C3CC[NH2+]CC3)cs2)cc1 ZINC000818559771 742279089 /nfs/dbraw/zinc/27/90/89/742279089.db2.gz NBPCUQQMRDKJEU-UHFFFAOYSA-N 1 0 356.495 2.673 20 10 FFCDRO CCOC(=O)C1CCC(O)(C[NH2+]CCCSc2nccs2)CC1 ZINC000819063332 742332819 /nfs/dbraw/zinc/33/28/19/742332819.db2.gz KRNDWRODFLNTAB-UHFFFAOYSA-N 1 0 358.529 2.699 20 10 FFCDRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000819290656 742368968 /nfs/dbraw/zinc/36/89/68/742368968.db2.gz KELWGLLJNDYSEC-WBVHZDCISA-N 1 0 370.921 2.690 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000822504058 742745566 /nfs/dbraw/zinc/74/55/66/742745566.db2.gz OXIOGQRWJPYMOF-CQSZACIVSA-N 1 0 351.248 2.892 20 10 FFCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1Cl ZINC000824809100 743153507 /nfs/dbraw/zinc/15/35/07/743153507.db2.gz QPKSUKMJLIWMEH-LBPRGKRZSA-N 1 0 350.768 2.949 20 10 FFCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000824827302 743156875 /nfs/dbraw/zinc/15/68/75/743156875.db2.gz BJPGLAWDBMIVFO-WDEREUQCSA-N 1 0 362.779 2.888 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)cc1OC ZINC000825124854 743214033 /nfs/dbraw/zinc/21/40/33/743214033.db2.gz ZRARTEQCPPPGHF-LBPRGKRZSA-N 1 0 362.392 2.725 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000825173387 743222382 /nfs/dbraw/zinc/22/23/82/743222382.db2.gz KDRWLLATHSPSRR-LLVKDONJSA-N 1 0 353.182 2.881 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000825943886 743346869 /nfs/dbraw/zinc/34/68/69/743346869.db2.gz LRYPYSIBJPTYQP-CWRNSKLLSA-N 1 0 367.287 2.891 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1O ZINC000827237323 743539265 /nfs/dbraw/zinc/53/92/65/743539265.db2.gz OSVCIQFDDWSFKR-UHFFFAOYSA-N 1 0 361.891 2.891 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccsn1 ZINC000827684718 744959923 /nfs/dbraw/zinc/95/99/23/744959923.db2.gz FZTHGBNVWVXNIU-UHFFFAOYSA-N 1 0 356.495 2.605 20 10 FFCDRO CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000831905553 745602891 /nfs/dbraw/zinc/60/28/91/745602891.db2.gz KSUPPMKKZBEPBJ-INIZCTEOSA-N 1 0 356.495 2.625 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccnc2C(F)(F)F)cc1 ZINC000832278911 745670840 /nfs/dbraw/zinc/67/08/40/745670840.db2.gz GHGORYIHUANFHP-CQSZACIVSA-N 1 0 352.360 2.596 20 10 FFCDRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834765930 745896836 /nfs/dbraw/zinc/89/68/36/745896836.db2.gz QBJYVIQHQCKILB-QGZVFWFLSA-N 1 0 358.463 2.709 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000834886199 745919261 /nfs/dbraw/zinc/91/92/61/745919261.db2.gz AFKFZYOHJSMAAW-YUELXQCFSA-N 1 0 369.303 2.977 20 10 FFCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839194488 746798656 /nfs/dbraw/zinc/79/86/56/746798656.db2.gz AMLXDUUDMYFFAS-DOTOQJQBSA-N 1 0 369.303 2.943 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000840780143 747181278 /nfs/dbraw/zinc/18/12/78/747181278.db2.gz IVICRZOADXZBJB-OAHLLOKOSA-N 1 0 368.905 2.886 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000841038409 747259053 /nfs/dbraw/zinc/25/90/53/747259053.db2.gz WYNCNJJHJLLAQN-CQSZACIVSA-N 1 0 351.244 2.953 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1O ZINC000841745742 747447555 /nfs/dbraw/zinc/44/75/55/747447555.db2.gz SNZBLBAUVYDBTM-DYVFJYSZSA-N 1 0 356.919 2.904 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1O ZINC000841754018 747449717 /nfs/dbraw/zinc/44/97/17/747449717.db2.gz OYZHYNWINSOBNE-SWLSCSKDSA-N 1 0 362.861 2.621 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000841798949 747463741 /nfs/dbraw/zinc/46/37/41/747463741.db2.gz ODSSQABPPZTOTD-ZBFHGGJFSA-N 1 0 350.482 2.798 20 10 FFCDRO CCOCc1cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)ccc1OC ZINC000841890328 747482605 /nfs/dbraw/zinc/48/26/05/747482605.db2.gz NJZYJNLTSIGPFG-UHFFFAOYSA-N 1 0 351.487 2.889 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000843117619 747776716 /nfs/dbraw/zinc/77/67/16/747776716.db2.gz QXHQLHXKHUYHCD-INIZCTEOSA-N 1 0 355.276 2.739 20 10 FFCDRO NC(=O)[C@H](c1cccc(Br)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350783 747814978 /nfs/dbraw/zinc/81/49/78/747814978.db2.gz VAZQNNDMMKZMBY-KRWDZBQOSA-N 1 0 374.282 2.887 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2F)C[C@@H](C)O1 ZINC000844173496 747983839 /nfs/dbraw/zinc/98/38/39/747983839.db2.gz GATQFPVAURYVMM-ZIAGYGMSSA-N 1 0 351.466 2.573 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000844903450 748133303 /nfs/dbraw/zinc/13/33/03/748133303.db2.gz ZFPLKQRMWHSFTQ-XPKDYRNWSA-N 1 0 369.303 2.873 20 10 FFCDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845935866 748356513 /nfs/dbraw/zinc/35/65/13/748356513.db2.gz GGTJCLXCTGQAPM-MOPGFXCFSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000848528930 748950710 /nfs/dbraw/zinc/95/07/10/748950710.db2.gz PTKWLVNXOSAFPE-NWDGAFQWSA-N 1 0 374.275 2.867 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CCO)CSC)c1O ZINC000848528739 748950833 /nfs/dbraw/zinc/95/08/33/748950833.db2.gz NVKSPSMAKRTROC-KOLCDFICSA-N 1 0 364.305 2.928 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000848533005 748951944 /nfs/dbraw/zinc/95/19/44/748951944.db2.gz FZKDEZDIPGETNN-VUPYVKPUSA-N 1 0 364.305 2.971 20 10 FFCDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551001 748957110 /nfs/dbraw/zinc/95/71/10/748957110.db2.gz BKOBITIILSTDCX-JQWIXIFHSA-N 1 0 362.264 2.865 20 10 FFCDRO COCC[N@@H+](Cc1cccc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848922702 749034564 /nfs/dbraw/zinc/03/45/64/749034564.db2.gz YLHNQRRXTULXPC-LLVKDONJSA-N 1 0 372.181 2.526 20 10 FFCDRO C[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000850439488 749365166 /nfs/dbraw/zinc/36/51/66/749365166.db2.gz PBAIOCDPBGDGDZ-KBPBESRZSA-N 1 0 351.401 2.527 20 10 FFCDRO COC[C@@H](CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000850487302 749372364 /nfs/dbraw/zinc/37/23/64/749372364.db2.gz YXQQYMQMAPZAJP-ZYHUDNBSSA-N 1 0 362.264 2.865 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC000850505921 749377619 /nfs/dbraw/zinc/37/76/19/749377619.db2.gz DCNFWADGEPPDOI-GJYPPUQNSA-N 1 0 350.528 2.836 20 10 FFCDRO CC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000850510156 749377933 /nfs/dbraw/zinc/37/79/33/749377933.db2.gz VPIBELGKIOBTAJ-HOCLYGCPSA-N 1 0 363.376 2.620 20 10 FFCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000851991511 749745190 /nfs/dbraw/zinc/74/51/90/749745190.db2.gz QCMXGAPSXLJADH-KRWDZBQOSA-N 1 0 362.543 2.523 20 10 FFCDRO CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233402 750266309 /nfs/dbraw/zinc/26/63/09/750266309.db2.gz YSJFFUFLBBLCFB-NSHDSACASA-N 1 0 357.241 2.894 20 10 FFCDRO COCCN(CC[NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000386182311 845830943 /nfs/dbraw/zinc/83/09/43/845830943.db2.gz IYWMLGKBNYHBFH-OAHLLOKOSA-N 1 0 350.459 2.853 20 10 FFCDRO COc1cccc(CC(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000179875575 970767596 /nfs/dbraw/zinc/76/75/96/970767596.db2.gz OXDTWGZKJVJGTH-UHFFFAOYSA-N 1 0 354.450 2.596 20 10 FFCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895745773 970910478 /nfs/dbraw/zinc/91/04/78/970910478.db2.gz BCPPRSPRMQPPEV-OALUTQOASA-N 1 0 357.450 2.991 20 10 FFCDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895764672 970930302 /nfs/dbraw/zinc/93/03/02/970930302.db2.gz JJBMDQJBSOUXCD-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837071 1013058477 /nfs/dbraw/zinc/05/84/77/1013058477.db2.gz BDLNIZRWTDAOGQ-DOMZBBRYSA-N 1 0 364.873 2.741 20 10 FFCDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000840512519 971434040 /nfs/dbraw/zinc/43/40/40/971434040.db2.gz HQYDFFKSWFFVAI-WEVVVXLNSA-N 1 0 372.421 2.699 20 10 FFCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000893329856 971608417 /nfs/dbraw/zinc/60/84/17/971608417.db2.gz SWZINQFSGYUSHM-INIZCTEOSA-N 1 0 356.445 2.521 20 10 FFCDRO COc1ccc(C[NH2+]C2CCC(NC(=O)[C@H]3OCC[C@H]3C)CC2)cc1C ZINC001026563560 971644797 /nfs/dbraw/zinc/64/47/97/971644797.db2.gz ZEHAIIAWDLYRER-ZPHYSPEPSA-N 1 0 360.498 2.946 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026966739 972202862 /nfs/dbraw/zinc/20/28/62/972202862.db2.gz COWNGTURWRYHML-OTWHNJEPSA-N 1 0 360.498 2.757 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275893283 1013149647 /nfs/dbraw/zinc/14/96/47/1013149647.db2.gz FTTIGXCIIFOZLE-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001275894135 1013151098 /nfs/dbraw/zinc/15/10/98/1013151098.db2.gz QSVHDLGBPXAUJA-HZPDHXFCSA-N 1 0 352.862 2.647 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001275895701 1013155277 /nfs/dbraw/zinc/15/52/77/1013155277.db2.gz NKQLSRRRSYRQLB-IBGZPJMESA-N 1 0 366.889 2.895 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951455 1013220968 /nfs/dbraw/zinc/22/09/68/1013220968.db2.gz JUGMNYDQXFGNCO-KKSFZXQISA-N 1 0 357.498 2.605 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1=O ZINC001275952556 1013222222 /nfs/dbraw/zinc/22/22/22/1013222222.db2.gz YQXVCMGFRUJILG-NRFANRHFSA-N 1 0 359.514 2.522 20 10 FFCDRO Cc1cccc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000872688825 1013249160 /nfs/dbraw/zinc/24/91/60/1013249160.db2.gz NULHUXJDSGFBRG-UHFFFAOYSA-N 1 0 368.433 2.824 20 10 FFCDRO CC(C)[C@@H]1C[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891241469 962527289 /nfs/dbraw/zinc/52/72/89/962527289.db2.gz ARIPQXHTIPYUHG-RLLQIKCJSA-N 1 0 361.530 2.923 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(OC)c(C)cc3O)CC2)n1 ZINC000160451649 962527847 /nfs/dbraw/zinc/52/78/47/962527847.db2.gz HOLHZJGAPIHTBZ-UHFFFAOYSA-N 1 0 372.469 2.610 20 10 FFCDRO CCn1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C1CC1 ZINC000891242257 962534526 /nfs/dbraw/zinc/53/45/26/962534526.db2.gz DJGMFRJESSDZTB-HXUWFJFHSA-N 1 0 369.513 2.879 20 10 FFCDRO C[C@H]1CCn2ncc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2C1 ZINC000891245392 962559526 /nfs/dbraw/zinc/55/95/26/962559526.db2.gz DFTWKRKKTAJONV-MGPUTAFESA-N 1 0 369.513 2.564 20 10 FFCDRO Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1CC(C)C ZINC000891247909 962578835 /nfs/dbraw/zinc/57/88/35/962578835.db2.gz ITRTWTDLPFIHGK-FQEVSTJZSA-N 1 0 371.529 2.946 20 10 FFCDRO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1F ZINC000891249545 962585814 /nfs/dbraw/zinc/58/58/14/962585814.db2.gz UKATVZKJLFNJPC-QGZVFWFLSA-N 1 0 359.445 2.933 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000891248935 962590247 /nfs/dbraw/zinc/59/02/47/962590247.db2.gz OXYYLVPERGXRDV-OALUTQOASA-N 1 0 352.482 2.597 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000891252778 962607120 /nfs/dbraw/zinc/60/71/20/962607120.db2.gz NPKFNICIDLYQFI-LJQANCHMSA-N 1 0 370.453 2.622 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3[nH]c(=O)oc32)[NH+](C)C)cc1 ZINC000891253502 962608899 /nfs/dbraw/zinc/60/88/99/962608899.db2.gz TYKMBIXWTNOAPY-KRWDZBQOSA-N 1 0 368.437 2.632 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2n[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000891254672 962613491 /nfs/dbraw/zinc/61/34/91/962613491.db2.gz IEECUGUBTLKTLR-FQEVSTJZSA-N 1 0 365.481 2.591 20 10 FFCDRO COc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1Cn1cccn1 ZINC000873098117 1013384807 /nfs/dbraw/zinc/38/48/07/1013384807.db2.gz KTDVSYLUNKPTLR-UHFFFAOYSA-N 1 0 363.465 2.940 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc4c(ncnc4Cl)[nH]3)cc2)CC1 ZINC001167431292 963092776 /nfs/dbraw/zinc/09/27/76/963092776.db2.gz QHFWHLQBBMBHDM-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO COc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1Cn1cccn1 ZINC000873132160 1013396089 /nfs/dbraw/zinc/39/60/89/1013396089.db2.gz JXNNVYNPYSLZJK-UHFFFAOYSA-N 1 0 373.497 2.597 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc4cc[nH]c4c(C(N)=O)c3)cc2)CC1 ZINC001167437356 963272154 /nfs/dbraw/zinc/27/21/54/963272154.db2.gz RONQEHXIHYWTNI-UHFFFAOYSA-N 1 0 363.465 2.631 20 10 FFCDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000891588824 964519800 /nfs/dbraw/zinc/51/98/00/964519800.db2.gz HWRVKEOZYKDBIU-NRFANRHFSA-N 1 0 356.514 2.969 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c(O)c1OC ZINC000891860390 965244992 /nfs/dbraw/zinc/24/49/92/965244992.db2.gz DLYYMZSAOMERLJ-UHFFFAOYSA-N 1 0 366.458 2.710 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)cc1C ZINC001104391066 965552482 /nfs/dbraw/zinc/55/24/82/965552482.db2.gz DVSPILTWUZCORS-SJLPKXTDSA-N 1 0 370.497 2.625 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC2(COC2)O1 ZINC001167513865 966042869 /nfs/dbraw/zinc/04/28/69/966042869.db2.gz YNWXJQUVLIPOHF-AWEZNQCLSA-N 1 0 356.260 2.925 20 10 FFCDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N1Cc2cccc(O)c2C1 ZINC000892255349 966391753 /nfs/dbraw/zinc/39/17/53/966391753.db2.gz GNGINLHVNLRWKT-SJLPKXTDSA-N 1 0 355.413 2.702 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000066195281 969291164 /nfs/dbraw/zinc/29/11/64/969291164.db2.gz WPYVDTFIYKPKID-MRXNPFEDSA-N 1 0 362.518 2.694 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000066203085 969292221 /nfs/dbraw/zinc/29/22/21/969292221.db2.gz MGRZEAHOGRFXAS-AEFFLSMTSA-N 1 0 363.502 2.813 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)c(O)c1OC ZINC000892615526 969605898 /nfs/dbraw/zinc/60/58/98/969605898.db2.gz ZXKBPFDJPFLWSE-UHFFFAOYSA-N 1 0 368.437 2.897 20 10 FFCDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1Cc2cccc(O)c2C1 ZINC000875074469 1013963265 /nfs/dbraw/zinc/96/32/65/1013963265.db2.gz QWEOPSMISHEKMP-UHFFFAOYSA-N 1 0 351.450 2.866 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c(O)c1OC ZINC000892961158 970441304 /nfs/dbraw/zinc/44/13/04/970441304.db2.gz ADOWDUMGZJDJJK-MRXNPFEDSA-N 1 0 356.422 2.613 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)[C@H](C)C1 ZINC000875301254 1014007612 /nfs/dbraw/zinc/00/76/12/1014007612.db2.gz PSXWCQAERNRCLY-CRAIPNDOSA-N 1 0 361.486 2.554 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1O ZINC000895504259 970675591 /nfs/dbraw/zinc/67/55/91/970675591.db2.gz GQNSCVAARDLSQX-INIZCTEOSA-N 1 0 354.406 2.619 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC000895525851 970701199 /nfs/dbraw/zinc/70/11/99/970701199.db2.gz BPPIQTAGIOPAJH-IBGZPJMESA-N 1 0 355.486 2.905 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1cccc(C)c1)cc2=O ZINC000179588015 970751826 /nfs/dbraw/zinc/75/18/26/970751826.db2.gz KVZMUEYQPJUESU-UHFFFAOYSA-N 1 0 368.437 2.945 20 10 FFCDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000897039575 973183447 /nfs/dbraw/zinc/18/34/47/973183447.db2.gz ASRUTRKYYBEMLU-LJQANCHMSA-N 1 0 366.461 2.522 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCC1 ZINC000653147088 1014237039 /nfs/dbraw/zinc/23/70/39/1014237039.db2.gz NAKYKVDFCGNHNJ-LSDHHAIUSA-N 1 0 355.482 2.772 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000236880273 975129507 /nfs/dbraw/zinc/12/95/07/975129507.db2.gz QMRYVLOQDPLYHI-UHFFFAOYSA-N 1 0 355.482 2.962 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000760553974 975475412 /nfs/dbraw/zinc/47/54/12/975475412.db2.gz XCJHXFPBJKFQQV-HNNXBMFYSA-N 1 0 361.486 2.734 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2noc3c2CC(C)(C)CC3)cc1 ZINC000876507270 1014288686 /nfs/dbraw/zinc/28/86/86/1014288686.db2.gz ZMVNDWBDBMUBSR-INIZCTEOSA-N 1 0 356.470 2.685 20 10 FFCDRO Cc1nn(C)c2ncc(C[NH2+]C[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc12 ZINC000898451994 976465884 /nfs/dbraw/zinc/46/58/84/976465884.db2.gz RZBSWELDWCMZSH-FQEVSTJZSA-N 1 0 366.513 2.735 20 10 FFCDRO Cc1noc2ncc(C[NH2+]C[C@@H](c3ccc(N(C)C)cc3)N(C)C)cc12 ZINC000898447198 976469516 /nfs/dbraw/zinc/46/95/16/976469516.db2.gz GTGIJIIMDPQNPD-IBGZPJMESA-N 1 0 353.470 2.990 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CN1C(C)=O ZINC000876771356 1014386222 /nfs/dbraw/zinc/38/62/22/1014386222.db2.gz XRMUKMXPFVJCNC-VQTJNVASSA-N 1 0 373.541 2.869 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c(O)c1OC ZINC000894000058 977633936 /nfs/dbraw/zinc/63/39/36/977633936.db2.gz HSBWCOVRIUYTJA-KRWDZBQOSA-N 1 0 370.449 2.609 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCc4ccccc4C3)cc2)CC1 ZINC000876913618 1014417391 /nfs/dbraw/zinc/41/73/91/1014417391.db2.gz SEACONDGOVORSW-UHFFFAOYSA-N 1 0 365.521 2.796 20 10 FFCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000877030188 1014454674 /nfs/dbraw/zinc/45/46/74/1014454674.db2.gz APSYBZCHNCAQBW-UHFFFAOYSA-N 1 0 374.506 2.528 20 10 FFCDRO COC(=O)c1c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894188080 978124099 /nfs/dbraw/zinc/12/40/99/978124099.db2.gz QGCCOBTVZBQEFX-HUUCEWRRSA-N 1 0 359.445 2.820 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237120184 978324213 /nfs/dbraw/zinc/32/42/13/978324213.db2.gz XUUKSDFGIMXNKK-UHFFFAOYSA-N 1 0 351.494 2.999 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000905083707 980375566 /nfs/dbraw/zinc/37/55/66/980375566.db2.gz QWQXVXTYGBEBCS-RBBKRZOGSA-N 1 0 370.493 2.738 20 10 FFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000905060351 980379098 /nfs/dbraw/zinc/37/90/98/980379098.db2.gz VCZLWLXQVJBKNU-CTNGQTDRSA-N 1 0 367.493 2.520 20 10 FFCDRO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000906420551 980654916 /nfs/dbraw/zinc/65/49/16/980654916.db2.gz UBYJKTZWYGEOKH-QGZVFWFLSA-N 1 0 359.514 2.965 20 10 FFCDRO CCOc1cccc(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1O ZINC000877687288 1014680260 /nfs/dbraw/zinc/68/02/60/1014680260.db2.gz HCNPPMRFXZJTJX-ROUUACIJSA-N 1 0 369.465 2.795 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2nccc(-c3cnccn3)n2)[NH+](C)C)cc1 ZINC000897521401 981423661 /nfs/dbraw/zinc/42/36/61/981423661.db2.gz FWMHJRNIJDRQCG-LJQANCHMSA-N 1 0 363.469 2.714 20 10 FFCDRO O=c1[nH]c2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)ccc2o1 ZINC000877807675 1014736050 /nfs/dbraw/zinc/73/60/50/1014736050.db2.gz DZDGOTDSBOAZQJ-UHFFFAOYSA-N 1 0 353.422 2.784 20 10 FFCDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877822206 1014741467 /nfs/dbraw/zinc/74/14/67/1014741467.db2.gz PKBHXMMUFKBLAQ-INIZCTEOSA-N 1 0 364.461 2.828 20 10 FFCDRO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000910952455 982098148 /nfs/dbraw/zinc/09/81/48/982098148.db2.gz UOTXLXJYXJOPCJ-INIZCTEOSA-N 1 0 358.413 2.765 20 10 FFCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000897578686 982308725 /nfs/dbraw/zinc/30/87/25/982308725.db2.gz CCOJSXKIWIQPGL-INIZCTEOSA-N 1 0 374.460 2.808 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](c3nccc(C(F)(F)F)n3)C1)OCO2 ZINC000897616004 982423750 /nfs/dbraw/zinc/42/37/50/982423750.db2.gz GWXCIGHLUPNLSI-SNVBAGLBSA-N 1 0 367.327 2.919 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CCC1CC1 ZINC001107057232 983874708 /nfs/dbraw/zinc/87/47/08/983874708.db2.gz RLAKLPRLJIQQSW-CZUORRHYSA-N 1 0 357.458 2.947 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001107057266 983875131 /nfs/dbraw/zinc/87/51/31/983875131.db2.gz UFECLSDXGCXKGY-FVAUWICPSA-N 1 0 363.849 2.899 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000878357376 1015002422 /nfs/dbraw/zinc/00/24/22/1015002422.db2.gz BGGQDLWFCNQMOR-BULFRSBZSA-N 1 0 370.493 2.658 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1O ZINC000164103152 984326215 /nfs/dbraw/zinc/32/62/15/984326215.db2.gz IHPKSNGGIDWCNG-UHFFFAOYSA-N 1 0 357.410 2.940 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1C1CCCC1)cc2=O ZINC000055927277 984398640 /nfs/dbraw/zinc/39/86/40/984398640.db2.gz ZHBQXELFXRMZQU-MRXNPFEDSA-N 1 0 358.442 2.766 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C[C@H]3CCOC3)CC2)cc1 ZINC000764685637 984636789 /nfs/dbraw/zinc/63/67/89/984636789.db2.gz XDEQWGZPLQWWDQ-RBUKOAKNSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765361473 985044271 /nfs/dbraw/zinc/04/42/71/985044271.db2.gz VUOGYEHVJSDNCY-JXFKEZNVSA-N 1 0 358.482 2.990 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cc2)C1 ZINC000921573661 985407600 /nfs/dbraw/zinc/40/76/00/985407600.db2.gz JPKMPRGINNHRIS-MTQWCTHYSA-N 1 0 371.525 2.683 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)cc1 ZINC000921606519 985420796 /nfs/dbraw/zinc/42/07/96/985420796.db2.gz JMPNQUNWIYWGOF-XUVXKRRUSA-N 1 0 373.541 2.612 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000878756741 1015199934 /nfs/dbraw/zinc/19/99/34/1015199934.db2.gz RBCSRLRVGAAAGX-IBGZPJMESA-N 1 0 352.482 2.643 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1C ZINC000999141325 986343404 /nfs/dbraw/zinc/34/34/04/986343404.db2.gz PPBVZTZYZRKFNC-UDQXEZGQSA-N 1 0 370.493 2.506 20 10 FFCDRO CC(C)n1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000878850428 1015250232 /nfs/dbraw/zinc/25/02/32/1015250232.db2.gz WDEYLICGJUSPEN-UHFFFAOYSA-N 1 0 356.474 2.538 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913685657 986829644 /nfs/dbraw/zinc/82/96/44/986829644.db2.gz ACFPSFPYFBRZOK-AHHGJTGPSA-N 1 0 350.418 2.596 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1O ZINC000073651807 986953692 /nfs/dbraw/zinc/95/36/92/986953692.db2.gz PRUFVLYCDOQSAQ-KRWDZBQOSA-N 1 0 363.502 2.957 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921776077 986989942 /nfs/dbraw/zinc/98/99/42/986989942.db2.gz NUXILMSYJVCSMV-FQEVSTJZSA-N 1 0 363.461 2.940 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153278830 987828393 /nfs/dbraw/zinc/82/83/93/987828393.db2.gz UIJIKZOHZXWZCQ-YOEHRIQHSA-N 1 0 358.438 2.572 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccc(C(=O)N(C)C)c3)C2)cc1 ZINC000922237047 988226566 /nfs/dbraw/zinc/22/65/66/988226566.db2.gz HFYBINLXGWKYAP-SFHVURJKSA-N 1 0 353.466 2.766 20 10 FFCDRO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000922410134 988577085 /nfs/dbraw/zinc/57/70/85/988577085.db2.gz ZGMRYQWDTHURIT-IEBWSBKVSA-N 1 0 355.486 2.971 20 10 FFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000154036573 988593410 /nfs/dbraw/zinc/59/34/10/988593410.db2.gz UVBPGGDFYOFRBM-ZWKOTPCHSA-N 1 0 356.514 2.982 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCC[C@@H]1C(C)C)cc2=O ZINC000763052029 989002970 /nfs/dbraw/zinc/00/29/70/989002970.db2.gz OWZNPRMURFUVGV-ZBFHGGJFSA-N 1 0 360.458 2.916 20 10 FFCDRO COC(=O)Cc1ccccc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000154976784 990638887 /nfs/dbraw/zinc/63/88/87/990638887.db2.gz VIDTZWVSENQNOA-UHFFFAOYSA-N 1 0 354.450 2.733 20 10 FFCDRO CN(Cc1ccc(I)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217338 990702576 /nfs/dbraw/zinc/70/25/76/990702576.db2.gz PFWKUWZJUZPYNL-OLZOCXBDSA-N 1 0 360.239 2.699 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000920182405 990809941 /nfs/dbraw/zinc/80/99/41/990809941.db2.gz MUOFBHDUVMXTDB-QGZVFWFLSA-N 1 0 365.474 2.708 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000879651434 1015626076 /nfs/dbraw/zinc/62/60/76/1015626076.db2.gz VJLZUYNDTOSHNO-JKSUJKDBSA-N 1 0 369.465 2.907 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cc2cnccc2o1 ZINC000879714651 1015651400 /nfs/dbraw/zinc/65/14/00/1015651400.db2.gz YUSWVJVGHQYJSF-CQSZACIVSA-N 1 0 352.438 2.861 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000182316931 992006608 /nfs/dbraw/zinc/00/66/08/992006608.db2.gz CVGINMXMRUIXGP-OAHLLOKOSA-N 1 0 371.481 2.776 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCOc2c(C)cccc2C)c1 ZINC000182326273 992009811 /nfs/dbraw/zinc/00/98/11/992009811.db2.gz VKHLCVGWVNDVHJ-MRXNPFEDSA-N 1 0 372.465 2.863 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184403807 992734263 /nfs/dbraw/zinc/73/42/63/992734263.db2.gz XEACTBNFZYGYLI-QGZVFWFLSA-N 1 0 368.525 2.850 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000185347466 993290987 /nfs/dbraw/zinc/29/09/87/993290987.db2.gz GTQVPAPTFIKNHA-MRXNPFEDSA-N 1 0 363.502 2.904 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4[C@@H]3O)CC2)cc1 ZINC000808730198 994243814 /nfs/dbraw/zinc/24/38/14/994243814.db2.gz UNPAGMZGCWSNQM-CTNGQTDRSA-N 1 0 354.450 2.748 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)C(C)C ZINC000128450302 1015848613 /nfs/dbraw/zinc/84/86/13/1015848613.db2.gz HRYFAHYYMGBYCW-INIZCTEOSA-N 1 0 365.493 2.645 20 10 FFCDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809708299 994587445 /nfs/dbraw/zinc/58/74/45/994587445.db2.gz AOXWRGHDIFRLLI-LJQANCHMSA-N 1 0 361.486 2.576 20 10 FFCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1O ZINC000809740269 994600952 /nfs/dbraw/zinc/60/09/52/994600952.db2.gz RUQFJYYMSFYBAB-UHFFFAOYSA-N 1 0 353.378 2.809 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593297123 994700380 /nfs/dbraw/zinc/70/03/80/994700380.db2.gz RJMRNBWBQREEQQ-KBXCAEBGSA-N 1 0 370.449 2.508 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000880602377 1015887825 /nfs/dbraw/zinc/88/78/25/1015887825.db2.gz UNRSNDPWIHRRCK-UHFFFAOYSA-N 1 0 371.485 2.752 20 10 FFCDRO C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001133123443 995332614 /nfs/dbraw/zinc/33/26/14/995332614.db2.gz LXEYXXCLDYSDGA-XLIONFOSSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCn3cccc3)C[C@H]2C)cc1C ZINC001082823778 995594744 /nfs/dbraw/zinc/59/47/44/995594744.db2.gz NLZWXJXJOYOPNB-IEBWSBKVSA-N 1 0 355.482 2.832 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000727644439 995910563 /nfs/dbraw/zinc/91/05/63/995910563.db2.gz KGEWAGUFAIMQGQ-HXUWFJFHSA-N 1 0 370.493 2.745 20 10 FFCDRO CCC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1O ZINC000727830994 995980324 /nfs/dbraw/zinc/98/03/24/995980324.db2.gz AMYYHULCKWMGDC-UHFFFAOYSA-N 1 0 354.410 2.825 20 10 FFCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000727859805 995991963 /nfs/dbraw/zinc/99/19/63/995991963.db2.gz AZLGPWZGYLCRLI-FQEVSTJZSA-N 1 0 355.482 2.935 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cnccc3C)cc2F)CC1 ZINC000826719505 1016025160 /nfs/dbraw/zinc/02/51/60/1016025160.db2.gz MASHSEBXJFSNFL-UHFFFAOYSA-N 1 0 370.472 2.530 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000730087581 996836621 /nfs/dbraw/zinc/83/66/21/996836621.db2.gz WDLCOJLCLUAFRC-SFTDATJTSA-N 1 0 367.493 2.765 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)c3ccc(CF)cc3)CC2)cc1 ZINC000824285590 996854385 /nfs/dbraw/zinc/85/43/85/996854385.db2.gz OORBOWATUGMWQW-UHFFFAOYSA-N 1 0 371.456 2.717 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)Cc3ccoc3)cc2F)CC1 ZINC000730133389 996863602 /nfs/dbraw/zinc/86/36/02/996863602.db2.gz QDFGOHBGURJZAH-UHFFFAOYSA-N 1 0 374.460 2.902 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000824681196 997050659 /nfs/dbraw/zinc/05/06/59/997050659.db2.gz FYWBPUOLVGVENI-PKOBYXMFSA-N 1 0 374.529 2.646 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824830473 997118376 /nfs/dbraw/zinc/11/83/76/997118376.db2.gz TYBSWQYQCASTAQ-TZMCWYRMSA-N 1 0 372.387 2.634 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1OC ZINC000824926168 997149227 /nfs/dbraw/zinc/14/92/27/997149227.db2.gz LJXNZLBMFSPIQD-MRXNPFEDSA-N 1 0 358.438 2.719 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000731405145 997893151 /nfs/dbraw/zinc/89/31/51/997893151.db2.gz VGKJADQCPWSVOW-KRWDZBQOSA-N 1 0 362.493 2.955 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000731405146 997893910 /nfs/dbraw/zinc/89/39/10/997893910.db2.gz VGKJADQCPWSVOW-QGZVFWFLSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000844522581 997949712 /nfs/dbraw/zinc/94/97/12/997949712.db2.gz TUUDHTBNXQRHRX-QGZVFWFLSA-N 1 0 362.518 2.503 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2F)C[C@H](C)O1 ZINC000731871029 998315194 /nfs/dbraw/zinc/31/51/94/998315194.db2.gz UROOJILDXDKFPM-KHYOSLBOSA-N 1 0 363.477 2.540 20 10 FFCDRO Oc1ccc(Br)cc1CNc1ccc2c(n1)OCC[NH2+]C2 ZINC001171173926 998459312 /nfs/dbraw/zinc/45/93/12/998459312.db2.gz DBNJUVDLLOUWLL-UHFFFAOYSA-N 1 0 350.216 2.644 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144504311 998612098 /nfs/dbraw/zinc/61/20/98/998612098.db2.gz OZSHSJBQPWZQJO-UHFFFAOYSA-N 1 0 364.442 2.779 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144504633 998612140 /nfs/dbraw/zinc/61/21/40/998612140.db2.gz YCYXNXPQUXXNQL-UHFFFAOYSA-N 1 0 364.442 2.636 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c(O)c1 ZINC001144509625 998622727 /nfs/dbraw/zinc/62/27/27/998622727.db2.gz GHIXTAYXRHSSHX-VLIAUNLRSA-N 1 0 356.422 2.880 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144516426 998628583 /nfs/dbraw/zinc/62/85/83/998628583.db2.gz YEDWFAZZUIRBNV-AWEZNQCLSA-N 1 0 374.384 2.538 20 10 FFCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000733299097 998959495 /nfs/dbraw/zinc/95/94/95/998959495.db2.gz ZVZSDTNOSOYNCR-CQSZACIVSA-N 1 0 374.462 2.805 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncnc2C)cc1C ZINC001085142401 999016554 /nfs/dbraw/zinc/01/65/54/999016554.db2.gz ZAYQXYOYIFIQLA-RTBURBONSA-N 1 0 368.481 2.933 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2=CCOCC2)cc1C ZINC001085180141 999081011 /nfs/dbraw/zinc/08/10/11/999081011.db2.gz NYTFBAWHEXSXIJ-RTBURBONSA-N 1 0 358.482 2.867 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(C)nn2)cc1C ZINC001085194788 999107064 /nfs/dbraw/zinc/10/70/64/999107064.db2.gz VBSUUAZBBYTAFZ-QZTJIDSGSA-N 1 0 368.481 2.933 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000734468133 999287926 /nfs/dbraw/zinc/28/79/26/999287926.db2.gz NEXNUZATIRTQSF-HXUWFJFHSA-N 1 0 366.509 2.984 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C)C[C@H]3CCCC[C@@H]31)cc2=O ZINC000735871177 999502765 /nfs/dbraw/zinc/50/27/65/999502765.db2.gz DFAKTYLVJSWAJO-IOASZLSFSA-N 1 0 358.442 2.765 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000741257663 999717098 /nfs/dbraw/zinc/71/70/98/999717098.db2.gz ICJVLLRVPNHZCV-NRFANRHFSA-N 1 0 356.466 2.518 20 10 FFCDRO CC(C)CNC(=O)NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741712888 999738198 /nfs/dbraw/zinc/73/81/98/999738198.db2.gz ZRPSIFQNGKWHBZ-UHFFFAOYSA-N 1 0 360.502 2.591 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1F ZINC000742393157 999771928 /nfs/dbraw/zinc/77/19/28/999771928.db2.gz VQZBWLIFAYPAHV-KBXCAEBGSA-N 1 0 373.476 2.689 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C ZINC000742370822 999772279 /nfs/dbraw/zinc/77/22/79/999772279.db2.gz PAKKCTPDEVHBCB-UHFFFAOYSA-N 1 0 374.506 2.534 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800912 999787754 /nfs/dbraw/zinc/78/77/54/999787754.db2.gz MRJOKUVLZHYJFP-WMLDXEAASA-N 1 0 367.440 2.857 20 10 FFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168986955 1000015912 /nfs/dbraw/zinc/01/59/12/1000015912.db2.gz GOBLRTGQYQFLSC-UYVJDWJCSA-N 1 0 371.437 2.874 20 10 FFCDRO CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001169633563 1000064341 /nfs/dbraw/zinc/06/43/41/1000064341.db2.gz GIZGEXCQZKTGPO-INIZCTEOSA-N 1 0 371.403 2.718 20 10 FFCDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001169646347 1000065519 /nfs/dbraw/zinc/06/55/19/1000065519.db2.gz SFAUWFJPZHPFJF-SFHVURJKSA-N 1 0 361.486 2.624 20 10 FFCDRO CC(=O)CCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000768121020 1000181215 /nfs/dbraw/zinc/18/12/15/1000181215.db2.gz FJOIIVGFKFHPCR-UHFFFAOYSA-N 1 0 355.482 2.845 20 10 FFCDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444331 1000250731 /nfs/dbraw/zinc/25/07/31/1000250731.db2.gz AAHILEVRDHGRFE-IFXJQAMLSA-N 1 0 371.433 2.629 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000846708849 1000419805 /nfs/dbraw/zinc/41/98/05/1000419805.db2.gz WJJZQCDVPFEYKA-XJKSGUPXSA-N 1 0 369.465 2.817 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846809682 1000445919 /nfs/dbraw/zinc/44/59/19/1000445919.db2.gz SBXAIPATGOFDMK-FQEVSTJZSA-N 1 0 364.486 2.976 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)c1 ZINC000769319979 1000491482 /nfs/dbraw/zinc/49/14/82/1000491482.db2.gz GOWIZWKLCWJQNJ-UHFFFAOYSA-N 1 0 359.514 2.513 20 10 FFCDRO CC1(C2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)OCCO1 ZINC000769400610 1000505934 /nfs/dbraw/zinc/50/59/34/1000505934.db2.gz WRDDFVMEWBKILZ-UHFFFAOYSA-N 1 0 364.461 2.637 20 10 FFCDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148590775 1001176864 /nfs/dbraw/zinc/17/68/64/1001176864.db2.gz PMEAFIFKDZUKHG-GOSISDBHSA-N 1 0 370.449 2.834 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000786717510 1001618666 /nfs/dbraw/zinc/61/86/66/1001618666.db2.gz UUMDZFUNRCWCKQ-CYBMUJFWSA-N 1 0 373.457 2.747 20 10 FFCDRO CC(C)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccnn1C ZINC000788077012 1001754970 /nfs/dbraw/zinc/75/49/70/1001754970.db2.gz RIDHIEIEHONNMU-KRWDZBQOSA-N 1 0 360.477 2.925 20 10 FFCDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232977770 1036210323 /nfs/dbraw/zinc/21/03/23/1036210323.db2.gz LPGJTUKXXPPBFG-CYBMUJFWSA-N 1 0 361.223 2.998 20 10 FFCDRO CC[N@@H+]1CCN(Cc2ccc(I)cc2O)C[C@H]1C ZINC001232980458 1036214661 /nfs/dbraw/zinc/21/46/61/1036214661.db2.gz KICVPGUIHJIRAX-LLVKDONJSA-N 1 0 360.239 2.523 20 10 FFCDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001182451651 1001894547 /nfs/dbraw/zinc/89/45/47/1001894547.db2.gz GNDZWJSISHLNPO-KBPBESRZSA-N 1 0 359.436 2.658 20 10 FFCDRO CC(C)(C)c1cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c(O)c(C(C)(C)C)c1 ZINC000789560935 1002128040 /nfs/dbraw/zinc/12/80/40/1002128040.db2.gz NOVIJKVGZZVWGV-CQSZACIVSA-N 1 0 361.486 2.707 20 10 FFCDRO COc1ccccc1[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCC1 ZINC000789944264 1002236758 /nfs/dbraw/zinc/23/67/58/1002236758.db2.gz OYHNPCNZEDKHJC-HNNXBMFYSA-N 1 0 374.412 2.812 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)c(OC)c1 ZINC001183418963 1002268108 /nfs/dbraw/zinc/26/81/08/1002268108.db2.gz FVZAGECGGLOTHC-DYVFJYSZSA-N 1 0 369.303 2.999 20 10 FFCDRO CCOC(=O)NC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000791002711 1002538587 /nfs/dbraw/zinc/53/85/87/1002538587.db2.gz PKVNHBSNXJLRSA-UHFFFAOYSA-N 1 0 361.486 2.670 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000774823839 1002795039 /nfs/dbraw/zinc/79/50/39/1002795039.db2.gz WVQTXEQPJLVQOI-UHFFFAOYSA-N 1 0 362.382 2.958 20 10 FFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000793612725 1003444185 /nfs/dbraw/zinc/44/41/85/1003444185.db2.gz VHZMWUMEOBTKFI-PBHICJAKSA-N 1 0 373.449 2.919 20 10 FFCDRO Cc1cnc(N2CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)s1 ZINC000775705875 1003733612 /nfs/dbraw/zinc/73/36/12/1003733612.db2.gz NMKGLDYJJXDOJK-UHFFFAOYSA-N 1 0 371.554 2.526 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C)cc2=O ZINC000775710254 1003745667 /nfs/dbraw/zinc/74/56/67/1003745667.db2.gz VWABDMIWSLCAJX-WFASDCNBSA-N 1 0 360.458 2.916 20 10 FFCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001196528009 1003808770 /nfs/dbraw/zinc/80/87/70/1003808770.db2.gz ZEBUGQWEEPVPRC-GOSISDBHSA-N 1 0 371.447 2.982 20 10 FFCDRO Cc1nnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1C ZINC000775527743 1004157536 /nfs/dbraw/zinc/15/75/36/1004157536.db2.gz TZEFPIJCZLROSK-UHFFFAOYSA-N 1 0 352.486 2.633 20 10 FFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806636336 1004381023 /nfs/dbraw/zinc/38/10/23/1004381023.db2.gz ZDNRTOXTQYYXTH-QFBILLFUSA-N 1 0 356.514 2.837 20 10 FFCDRO COc1ccc(C[NH2+][C@@]2(CO)CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC001197818402 1004387417 /nfs/dbraw/zinc/38/74/17/1004387417.db2.gz JHJJULXOGBRWIG-FQEVSTJZSA-N 1 0 364.486 2.855 20 10 FFCDRO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)CCC1 ZINC001198131982 1004489144 /nfs/dbraw/zinc/48/91/44/1004489144.db2.gz VAFKVYGDCZSVJN-NRFANRHFSA-N 1 0 360.498 2.731 20 10 FFCDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775829972 1004526577 /nfs/dbraw/zinc/52/65/77/1004526577.db2.gz BUNMUDZHVBBDPY-KXBFYZLASA-N 1 0 372.465 2.630 20 10 FFCDRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831408 1004528114 /nfs/dbraw/zinc/52/81/14/1004528114.db2.gz RRKPTKHZTRWBCK-KKSFZXQISA-N 1 0 367.493 2.720 20 10 FFCDRO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834333 1004569281 /nfs/dbraw/zinc/56/92/81/1004569281.db2.gz RRQZMXHBLDZIHG-OXJNMPFZSA-N 1 0 358.482 2.990 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c(C)n1-c1ccccc1C ZINC000808223849 1004778309 /nfs/dbraw/zinc/77/83/09/1004778309.db2.gz PCKYOSXIKONWFA-SFHVURJKSA-N 1 0 355.482 2.589 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=S)NCC3CCCCC3)cc2)CC1 ZINC001199935231 1005059567 /nfs/dbraw/zinc/05/95/67/1005059567.db2.gz IOWCGOPPQMEXBV-UHFFFAOYSA-N 1 0 360.571 2.983 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+]C3CCC4(CC3)NC(=O)NC4=O)cc2)CC1 ZINC000776174692 1005215228 /nfs/dbraw/zinc/21/52/28/1005215228.db2.gz RMJIBJOSGQBSBD-UHFFFAOYSA-N 1 0 370.497 2.533 20 10 FFCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850072684 1005782855 /nfs/dbraw/zinc/78/28/55/1005782855.db2.gz GQRNLPUYRXTGHL-UHFFFAOYSA-N 1 0 358.461 2.688 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000007251257 1005784411 /nfs/dbraw/zinc/78/44/11/1005784411.db2.gz HSRXFPPRWVBTAN-FQEVSTJZSA-N 1 0 354.498 2.887 20 10 FFCDRO COc1cc(C[NH2+]Cc2cccc(OCC(N)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000850162389 1005791920 /nfs/dbraw/zinc/79/19/20/1005791920.db2.gz ROYHXQCFOWMOED-UHFFFAOYSA-N 1 0 372.465 2.852 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000850347350 1005808952 /nfs/dbraw/zinc/80/89/52/1005808952.db2.gz QQZDUPPCOVRVRV-OAHLLOKOSA-N 1 0 353.422 2.509 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc4c(c3)OCC(=O)N4)C2)cc1 ZINC000850488324 1005818210 /nfs/dbraw/zinc/81/82/10/1005818210.db2.gz MBHZUJVEJAPQIB-HOCLYGCPSA-N 1 0 367.449 2.956 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000850483559 1005818349 /nfs/dbraw/zinc/81/83/49/1005818349.db2.gz YQISPSJVWREAKA-PKOBYXMFSA-N 1 0 357.450 2.598 20 10 FFCDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3cccc(OC)c3O)CC2=O)cc1 ZINC000850516057 1005820032 /nfs/dbraw/zinc/82/00/32/1005820032.db2.gz RLOPMOKYVQWQOM-UONOGXRCSA-N 1 0 356.422 2.866 20 10 FFCDRO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850567910 1005822977 /nfs/dbraw/zinc/82/29/77/1005822977.db2.gz LUUQDNLDNHLDER-CQSZACIVSA-N 1 0 358.438 2.878 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000851656045 1005903455 /nfs/dbraw/zinc/90/34/55/1005903455.db2.gz CRDVJXOSDFRFLP-IBGZPJMESA-N 1 0 358.530 2.982 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000851673048 1005905269 /nfs/dbraw/zinc/90/52/69/1005905269.db2.gz NLHCQUPBCNAGKB-QZTJIDSGSA-N 1 0 357.429 2.818 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000851896192 1005921203 /nfs/dbraw/zinc/92/12/03/1005921203.db2.gz IEKFVOKOKUCZPE-CQSZACIVSA-N 1 0 374.872 2.861 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)c1ccccc1O ZINC000851898425 1005921370 /nfs/dbraw/zinc/92/13/70/1005921370.db2.gz WAZDYHYZYNHROG-GOEBONIOSA-N 1 0 362.470 2.766 20 10 FFCDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cccc(CO)c1 ZINC000813422710 1005957427 /nfs/dbraw/zinc/95/74/27/1005957427.db2.gz JXIYXCGEGOIFOE-UHFFFAOYSA-N 1 0 365.477 2.963 20 10 FFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852343595 1005987190 /nfs/dbraw/zinc/98/71/90/1005987190.db2.gz FBCFHVCLNPWNTK-IAGOWNOFSA-N 1 0 362.518 2.694 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000852598259 1006095637 /nfs/dbraw/zinc/09/56/37/1006095637.db2.gz VRBVTHASKOCWCJ-PZJWPPBQSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121367 1006305226 /nfs/dbraw/zinc/30/52/26/1006305226.db2.gz CZCRFMLPMGBPDJ-JTSKRJEESA-N 1 0 354.494 2.902 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000815082531 1006511059 /nfs/dbraw/zinc/51/10/59/1006511059.db2.gz WKWKCQALZIGDQV-KKSFZXQISA-N 1 0 358.457 2.917 20 10 FFCDRO Cc1nn(C)c2nccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC000882879843 1006544213 /nfs/dbraw/zinc/54/42/13/1006544213.db2.gz PMZUQUHSLIVFAV-UHFFFAOYSA-N 1 0 350.470 2.641 20 10 FFCDRO c1ccc(-c2nccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)n2)nc1 ZINC000883287773 1006733594 /nfs/dbraw/zinc/73/35/94/1006733594.db2.gz FEKAQYXZODQPSB-UHFFFAOYSA-N 1 0 361.449 2.665 20 10 FFCDRO Cn1c(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc2c1cccc2F ZINC000113358731 1007343200 /nfs/dbraw/zinc/34/32/00/1007343200.db2.gz SVJAWJOXHAUTIZ-UHFFFAOYSA-N 1 0 368.456 2.881 20 10 FFCDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(I)c2[O-])CC1 ZINC001206326128 1032230833 /nfs/dbraw/zinc/23/08/33/1032230833.db2.gz KLRVQKPORPWEKP-OAHLLOKOSA-N 1 0 374.266 2.948 20 10 FFCDRO Cc1cc(C(=O)CN(C)C[C@H]2CCC[N@@H+]2C)c(C)n1-c1ccc(F)cn1 ZINC000817291492 1007514011 /nfs/dbraw/zinc/51/40/11/1007514011.db2.gz IILMIRTXKNDBTQ-QGZVFWFLSA-N 1 0 358.461 2.837 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccnn4C)C3)C2)cc1 ZINC001206330265 1032232680 /nfs/dbraw/zinc/23/26/80/1032232680.db2.gz VHUBIVCGQQADDS-OAQYLSRUSA-N 1 0 370.497 2.548 20 10 FFCDRO Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c(O)c1O ZINC000855735867 1007531810 /nfs/dbraw/zinc/53/18/10/1007531810.db2.gz XMXQCMDMILHSTF-KRWDZBQOSA-N 1 0 354.450 2.795 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000775369398 1007537158 /nfs/dbraw/zinc/53/71/58/1007537158.db2.gz AUNYEUBMVHHJEI-LBPRGKRZSA-N 1 0 357.410 2.649 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)c1 ZINC000775369747 1007555454 /nfs/dbraw/zinc/55/54/54/1007555454.db2.gz QMUXRNNEIQCIFD-BBRMVZONSA-N 1 0 359.422 2.694 20 10 FFCDRO CC(C)n1cc(C(C)(C)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000817419742 1007595136 /nfs/dbraw/zinc/59/51/36/1007595136.db2.gz KMYLKLSNBMMTOX-UHFFFAOYSA-N 1 0 356.518 2.636 20 10 FFCDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000817589889 1007659831 /nfs/dbraw/zinc/65/98/31/1007659831.db2.gz RABVAPBCBFQXLS-HOTGVXAUSA-N 1 0 363.477 2.571 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817944230 1007820977 /nfs/dbraw/zinc/82/09/77/1007820977.db2.gz YDWYUZSXYJIZIN-SQNIBIBYSA-N 1 0 372.473 2.631 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817995891 1007827750 /nfs/dbraw/zinc/82/77/50/1007827750.db2.gz GLCAVCVWIRJKBO-HXUWFJFHSA-N 1 0 369.513 2.924 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000818221892 1007888171 /nfs/dbraw/zinc/88/81/71/1007888171.db2.gz VDEKOOMBARYKMD-CQSZACIVSA-N 1 0 356.422 2.746 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccco1 ZINC000114592459 1007970726 /nfs/dbraw/zinc/97/07/26/1007970726.db2.gz CEPAHSXRMHBTEZ-MRXNPFEDSA-N 1 0 361.442 2.876 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953086 1007991458 /nfs/dbraw/zinc/99/14/58/1007991458.db2.gz BEVOVDJBKFMYPL-FQEVSTJZSA-N 1 0 363.502 2.652 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000819003425 1008005097 /nfs/dbraw/zinc/00/50/97/1008005097.db2.gz WAYXBHIGBDAEGI-SFHVURJKSA-N 1 0 374.456 2.833 20 10 FFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819095036 1008032529 /nfs/dbraw/zinc/03/25/29/1008032529.db2.gz SAGKADWFDQDVOC-FQEVSTJZSA-N 1 0 368.477 2.991 20 10 FFCDRO CCCC[N@@H+]1CCCC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168765 1008055110 /nfs/dbraw/zinc/05/51/10/1008055110.db2.gz VZBKCBPIKWREJX-KRWDZBQOSA-N 1 0 359.470 2.811 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COc3ccccc3C)C2)cc1 ZINC000819379792 1008128101 /nfs/dbraw/zinc/12/81/01/1008128101.db2.gz LAYNHOUZSSAFKE-AZUAARDMSA-N 1 0 370.493 2.859 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000819581575 1008181309 /nfs/dbraw/zinc/18/13/09/1008181309.db2.gz ABILEPCXNOJPAN-XMTFNYHQSA-N 1 0 359.514 2.899 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000858151195 1008312241 /nfs/dbraw/zinc/31/22/41/1008312241.db2.gz XCPHXIIYAPAURB-UHFFFAOYSA-N 1 0 357.454 2.640 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1F ZINC000858280669 1008338949 /nfs/dbraw/zinc/33/89/49/1008338949.db2.gz ZXVOVQXAYKEWIK-OAHLLOKOSA-N 1 0 367.465 2.617 20 10 FFCDRO COC(=O)CC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000858432521 1008360289 /nfs/dbraw/zinc/36/02/89/1008360289.db2.gz SRFNAAGJQCBKAX-UHFFFAOYSA-N 1 0 360.498 2.859 20 10 FFCDRO CCC[C@H](OCC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000859260728 1008494546 /nfs/dbraw/zinc/49/45/46/1008494546.db2.gz DDNRPNCDLUJRJF-IBGZPJMESA-N 1 0 365.493 2.789 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)oc1C ZINC000822494684 1008651814 /nfs/dbraw/zinc/65/18/14/1008651814.db2.gz SOCWZHGTDRRSDW-OAHLLOKOSA-N 1 0 358.438 2.999 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1c([O-])cccc1F ZINC000886503735 1008704738 /nfs/dbraw/zinc/70/47/38/1008704738.db2.gz CBKWZABCLLPWRF-HNNXBMFYSA-N 1 0 371.456 2.770 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000886749346 1008859808 /nfs/dbraw/zinc/85/98/08/1008859808.db2.gz QFOYZZLEGPIOQU-HXUWFJFHSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886749543 1008860225 /nfs/dbraw/zinc/86/02/25/1008860225.db2.gz VZTVXXIXZLASKF-MRXNPFEDSA-N 1 0 352.482 2.943 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000823247489 1008994023 /nfs/dbraw/zinc/99/40/23/1008994023.db2.gz GGTOGRYYMHSEHQ-MSOLQXFVSA-N 1 0 374.529 2.551 20 10 FFCDRO CCOC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000823391412 1009046929 /nfs/dbraw/zinc/04/69/29/1009046929.db2.gz YUPBCJAETYOQCY-UHFFFAOYSA-N 1 0 371.481 2.968 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001178696727 1009091233 /nfs/dbraw/zinc/09/12/33/1009091233.db2.gz NECVCASNYMRMGF-MRXNPFEDSA-N 1 0 371.403 2.718 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCc3cncn3C2)c1 ZINC000861663740 1009500453 /nfs/dbraw/zinc/50/04/53/1009500453.db2.gz NRHPBQBFSAYEHB-GOSISDBHSA-N 1 0 362.433 2.848 20 10 FFCDRO COC(=O)c1c(C[N@H+](CCO)CC(C)(C)C)c2cc(F)ccc2n1C ZINC001180006363 1009530183 /nfs/dbraw/zinc/53/01/83/1009530183.db2.gz BGSOHKJGCQMNFR-UHFFFAOYSA-N 1 0 350.434 2.944 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1C ZINC000861809723 1009565784 /nfs/dbraw/zinc/56/57/84/1009565784.db2.gz ZGEADAIZQLYSEN-WIYYLYMNSA-N 1 0 365.477 2.991 20 10 FFCDRO C[C@@H](C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)[NH+]1CCCC1 ZINC001180584612 1009760955 /nfs/dbraw/zinc/76/09/55/1009760955.db2.gz VMYAYIDFCLSZED-AWEZNQCLSA-N 1 0 371.403 2.718 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1 ZINC000862538041 1009870643 /nfs/dbraw/zinc/87/06/43/1009870643.db2.gz LQINONUGSKZHHU-HNKHHVNMSA-N 1 0 368.399 2.932 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N(CC(F)F)C3CCC3)cc2)CC1 ZINC000889659312 1010045261 /nfs/dbraw/zinc/04/52/61/1010045261.db2.gz UQXJFFAOJKYRTA-UHFFFAOYSA-N 1 0 366.456 2.768 20 10 FFCDRO CCn1ccc(CN(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000889665434 1010046851 /nfs/dbraw/zinc/04/68/51/1010046851.db2.gz OGVMSFIKLAFKLG-UHFFFAOYSA-N 1 0 369.513 2.601 20 10 FFCDRO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773160966 1010061023 /nfs/dbraw/zinc/06/10/23/1010061023.db2.gz IYGJNPANNVFTSI-ZACQAIPSSA-N 1 0 362.518 2.612 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(C)cc1O ZINC000794801343 1010631697 /nfs/dbraw/zinc/63/16/97/1010631697.db2.gz IODTYSDCYCBPGG-WMLDXEAASA-N 1 0 359.422 2.910 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Cl)cc1O ZINC000866524645 1011010884 /nfs/dbraw/zinc/01/08/84/1011010884.db2.gz IRIVJUBTOHXOPD-LBPRGKRZSA-N 1 0 373.840 2.948 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000866523574 1011011008 /nfs/dbraw/zinc/01/10/08/1011011008.db2.gz QZFGGJPUUAPNHF-OAHLLOKOSA-N 1 0 366.465 2.655 20 10 FFCDRO COC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000794972652 1011075745 /nfs/dbraw/zinc/07/57/45/1011075745.db2.gz UJSLEWSBIVRSCF-UHFFFAOYSA-N 1 0 369.465 2.846 20 10 FFCDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000868187738 1011194041 /nfs/dbraw/zinc/19/40/41/1011194041.db2.gz OYEGRZNQVUFMLG-VQTJNVASSA-N 1 0 366.465 2.660 20 10 FFCDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001171871074 1011491908 /nfs/dbraw/zinc/49/19/08/1011491908.db2.gz ZDWGDMWSTGEFCQ-KRWDZBQOSA-N 1 0 370.449 2.630 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)ccc1N(C)C ZINC001139670975 1032572962 /nfs/dbraw/zinc/57/29/62/1032572962.db2.gz JLEKRHUMJYZWGU-IBGZPJMESA-N 1 0 371.525 2.522 20 10 FFCDRO O=C1C[C@@]2(CN1Cc1ccncc1)CCCC[N@H+]2Cc1ccccc1O ZINC001275232633 1012113961 /nfs/dbraw/zinc/11/39/61/1012113961.db2.gz VJAKIEXPCKQACG-OAQYLSRUSA-N 1 0 351.450 2.944 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC(F)(F)F)C3=O)C2)c1 ZINC001275239424 1012132756 /nfs/dbraw/zinc/13/27/56/1012132756.db2.gz ZPZBSUCUMLTJAW-KRWDZBQOSA-N 1 0 370.371 2.604 20 10 FFCDRO CCOCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001275247581 1012134850 /nfs/dbraw/zinc/13/48/50/1012134850.db2.gz CRLDQQAYBCRFKZ-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4cncs4)C3)C2=O)cc1 ZINC001275382717 1012397376 /nfs/dbraw/zinc/39/73/76/1012397376.db2.gz KFUAJPGKZYSYQQ-FQEVSTJZSA-N 1 0 370.522 2.834 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275385764 1012402740 /nfs/dbraw/zinc/40/27/40/1012402740.db2.gz LHOSJFOTDQAIAG-KKSFZXQISA-N 1 0 358.482 2.883 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)COCC(=O)N3CC2CCCC2)c1O ZINC001275775787 1012992587 /nfs/dbraw/zinc/99/25/87/1012992587.db2.gz SQPNLCNVIMFZAO-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924716794 1017443758 /nfs/dbraw/zinc/44/37/58/1017443758.db2.gz QSSROWFEFJCPET-AESZEHBQSA-N 1 0 363.477 2.586 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3CCCO)cc2)C1 ZINC000924726089 1017449902 /nfs/dbraw/zinc/44/99/02/1017449902.db2.gz KWZKHFARAFNBCX-SBHAEUEKSA-N 1 0 373.541 2.809 20 10 FFCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924731709 1017453356 /nfs/dbraw/zinc/45/33/56/1017453356.db2.gz ZLOSIDVPFOQYTG-IHPCNDPISA-N 1 0 359.514 2.539 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCCC4)cc2)C1 ZINC000924731793 1017453668 /nfs/dbraw/zinc/45/36/68/1017453668.db2.gz ZXMUNFOKJZGQQA-AZUAARDMSA-N 1 0 371.525 2.970 20 10 FFCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925472665 1017759392 /nfs/dbraw/zinc/75/93/92/1017759392.db2.gz FTBUWOIPZMQKAB-QGZVFWFLSA-N 1 0 369.431 2.916 20 10 FFCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001222079959 1032742225 /nfs/dbraw/zinc/74/22/25/1032742225.db2.gz HQMAXUGSCGSLTP-HNNXBMFYSA-N 1 0 354.878 2.680 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]([NH3+])c3ccccc3C)CC2)cc1 ZINC000827458639 1018116769 /nfs/dbraw/zinc/11/67/69/1018116769.db2.gz JJQXBILVPODCOP-HXUWFJFHSA-N 1 0 353.466 2.742 20 10 FFCDRO CCO[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C[NH+](C)C ZINC000926837358 1018267289 /nfs/dbraw/zinc/26/72/89/1018267289.db2.gz SWCDJTDCJRHISU-LJQANCHMSA-N 1 0 364.534 2.639 20 10 FFCDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926874872 1018276395 /nfs/dbraw/zinc/27/63/95/1018276395.db2.gz XPDCLUHQXZPAMD-GHTZIAJQSA-N 1 0 361.530 2.808 20 10 FFCDRO COC(=O)c1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(OC)c1 ZINC001137455315 1018532708 /nfs/dbraw/zinc/53/27/08/1018532708.db2.gz OTGDLQWMVGKVSR-UHFFFAOYSA-N 1 0 357.406 2.841 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000827661573 1018602437 /nfs/dbraw/zinc/60/24/37/1018602437.db2.gz AZWZFURXOGCPQA-UHFFFAOYSA-N 1 0 358.438 2.626 20 10 FFCDRO C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725709 1018630776 /nfs/dbraw/zinc/63/07/76/1018630776.db2.gz MKEFXUKQJOKJQN-CRGSBQTFSA-N 1 0 371.525 2.854 20 10 FFCDRO CCCC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccccc1O ZINC000801596184 1019157063 /nfs/dbraw/zinc/15/70/63/1019157063.db2.gz RQTZSSFGPDRRMK-UHFFFAOYSA-N 1 0 371.437 2.815 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000929152655 1019291704 /nfs/dbraw/zinc/29/17/04/1019291704.db2.gz CGJZWBIYIHROMQ-IRLDBZIGSA-N 1 0 370.493 2.692 20 10 FFCDRO CCOC(=O)[C@H]1CC2(CN1Cc1cc(F)c(Cl)cc1O)CC[NH2+]CC2 ZINC001222231913 1032841903 /nfs/dbraw/zinc/84/19/03/1032841903.db2.gz REMBBNYFTUAAHB-OAHLLOKOSA-N 1 0 370.852 2.692 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000390737395 1019877215 /nfs/dbraw/zinc/87/72/15/1019877215.db2.gz QIKDRYRWPJJTJK-CVEARBPZSA-N 1 0 362.470 2.995 20 10 FFCDRO COC(=O)c1cncc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000930212193 1019926242 /nfs/dbraw/zinc/92/62/42/1019926242.db2.gz ZNZVEIDHLZSMBC-HNNXBMFYSA-N 1 0 355.438 2.556 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]Cc1cc(F)ccc1O)O2 ZINC000690617716 1019957930 /nfs/dbraw/zinc/95/79/30/1019957930.db2.gz VCWVOEQKSBSHRS-HNNXBMFYSA-N 1 0 366.433 2.789 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C3CC3)nn2)[NH+](C)C)cc1 ZINC000930402223 1020019585 /nfs/dbraw/zinc/01/95/85/1020019585.db2.gz HXHWWVUYYGGMJJ-SFHVURJKSA-N 1 0 368.485 2.844 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(c3cccc(OC)c3)C2)c(O)c1 ZINC000725853931 1020271949 /nfs/dbraw/zinc/27/19/49/1020271949.db2.gz YZPUETJNQWZLFP-HNNXBMFYSA-N 1 0 356.422 2.695 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900399388 1020402012 /nfs/dbraw/zinc/40/20/12/1020402012.db2.gz DNKMRVJRYLQMMW-UHFFFAOYSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000931764225 1020577900 /nfs/dbraw/zinc/57/79/00/1020577900.db2.gz OAJVCYUKXOCOTJ-GOSISDBHSA-N 1 0 352.482 2.629 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+][C@@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218059471 1032974065 /nfs/dbraw/zinc/97/40/65/1032974065.db2.gz JNGOXFLCCCPGMK-QWHCGFSZSA-N 1 0 351.402 2.990 20 10 FFCDRO COc1ccc2c(c1OC1CC3(C1)CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218064318 1032975255 /nfs/dbraw/zinc/97/52/55/1032975255.db2.gz VGLNZFWTKGSTOS-UHFFFAOYSA-N 1 0 363.413 2.992 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCOC3(C[NH2+]C3)C2)c(O)c1 ZINC001222447226 1032977215 /nfs/dbraw/zinc/97/72/15/1032977215.db2.gz MIYOUTAUZSTACR-UHFFFAOYSA-N 1 0 361.530 2.973 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000829079439 1032994155 /nfs/dbraw/zinc/99/41/55/1032994155.db2.gz CKZBIDYZMMADQI-NRFANRHFSA-N 1 0 367.493 2.864 20 10 FFCDRO COc1ccc2c(c1O[C@H]1C[C@H]3C[NH2+]C[C@H]3C1)C(=O)c1ccccc1C2=O ZINC001218134477 1033014033 /nfs/dbraw/zinc/01/40/33/1033014033.db2.gz KAVWHGUVSZDBAT-BTTYYORXSA-N 1 0 363.413 2.847 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001117814068 1021914940 /nfs/dbraw/zinc/91/49/40/1021914940.db2.gz HUQRRLBMJYKBPF-UHFFFAOYSA-N 1 0 373.522 2.875 20 10 FFCDRO COc1cccc([C@]2(C)CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c1 ZINC001118531151 1022276264 /nfs/dbraw/zinc/27/62/64/1022276264.db2.gz BNBUJHVDXQCNJH-PZJWPPBQSA-N 1 0 355.434 2.990 20 10 FFCDRO COc1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c(O)c1OC ZINC001119943126 1023174602 /nfs/dbraw/zinc/17/46/02/1023174602.db2.gz ZSMGQJSRBRKIAR-UHFFFAOYSA-N 1 0 372.465 2.978 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCC(F)(F)F)[NH+](C)C)cc1 ZINC001119990871 1023196014 /nfs/dbraw/zinc/19/60/14/1023196014.db2.gz YRDPNYGWXNCYDA-HNNXBMFYSA-N 1 0 360.424 2.949 20 10 FFCDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000752802858 1023207065 /nfs/dbraw/zinc/20/70/65/1023207065.db2.gz KRQPCTSZLTUQDD-QWHCGFSZSA-N 1 0 364.442 2.856 20 10 FFCDRO CC1([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)OCCO1 ZINC000753594319 1023357472 /nfs/dbraw/zinc/35/74/72/1023357472.db2.gz ILLIHZRVYNEGEC-KRWDZBQOSA-N 1 0 364.461 2.637 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000754009715 1023414360 /nfs/dbraw/zinc/41/43/60/1023414360.db2.gz KLTSMQXNFOBNOX-IEBWSBKVSA-N 1 0 363.546 2.545 20 10 FFCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000190793610 1023698472 /nfs/dbraw/zinc/69/84/72/1023698472.db2.gz XJVDMMGOKMTUIV-UHFFFAOYSA-N 1 0 358.461 2.803 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)ccc1OCC(N)=O ZINC000756481649 1023718383 /nfs/dbraw/zinc/71/83/83/1023718383.db2.gz FEVDMALJDDSJPK-BXUZGUMPSA-N 1 0 374.412 2.742 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756561222 1023728081 /nfs/dbraw/zinc/72/80/81/1023728081.db2.gz CSQMDQSOMCESTP-MRXNPFEDSA-N 1 0 373.541 2.864 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c21 ZINC001218477270 1033172834 /nfs/dbraw/zinc/17/28/34/1033172834.db2.gz IDJVTRXJJIJCBV-OWRWGESLSA-N 1 0 364.357 2.642 20 10 FFCDRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137835618 1033173363 /nfs/dbraw/zinc/17/33/63/1033173363.db2.gz LFBYHBCSIZPFQE-YWZLYKJASA-N 1 0 372.444 2.581 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2C)cc1 ZINC000192502456 1024196716 /nfs/dbraw/zinc/19/67/16/1024196716.db2.gz DIDNQCQVSYUHFS-CALCHBBNSA-N 1 0 353.466 2.736 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000079633696 1024316686 /nfs/dbraw/zinc/31/66/86/1024316686.db2.gz GIGZVAYRVZUSBF-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000195195608 1024957505 /nfs/dbraw/zinc/95/75/05/1024957505.db2.gz RYISYXUGZGRMEQ-OAQYLSRUSA-N 1 0 360.498 2.934 20 10 FFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141141489 1025510012 /nfs/dbraw/zinc/51/00/12/1025510012.db2.gz SFFQPZVJJUCLGZ-NQIIRXRSSA-N 1 0 360.498 2.923 20 10 FFCDRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159048 1025541388 /nfs/dbraw/zinc/54/13/88/1025541388.db2.gz XEYFLDCNXKZTKQ-GOSISDBHSA-N 1 0 352.434 2.736 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(O)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001141159502 1025542861 /nfs/dbraw/zinc/54/28/61/1025542861.db2.gz DNSHMUBKZYIERK-KNQAVFIVSA-N 1 0 366.461 2.936 20 10 FFCDRO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141162859 1025546833 /nfs/dbraw/zinc/54/68/33/1025546833.db2.gz IFURWBIPLUKGAL-UHFFFAOYSA-N 1 0 361.463 2.881 20 10 FFCDRO CC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000245903673 1025597837 /nfs/dbraw/zinc/59/78/37/1025597837.db2.gz LQSZRFWQAGPEPK-JYJNAYRXSA-N 1 0 365.493 2.786 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc(N2CCOCC2)cc1 ZINC000838913679 1026534863 /nfs/dbraw/zinc/53/48/63/1026534863.db2.gz KPSFWIFEPRPUFP-CQSZACIVSA-N 1 0 354.454 2.747 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnccn2)NC(=O)OC(C)(C)C)cc1 ZINC000838987009 1026559374 /nfs/dbraw/zinc/55/93/74/1026559374.db2.gz WJMAEKVEQLUXJF-SFHVURJKSA-N 1 0 371.485 2.898 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCCc1ccccc13)[C@@H](O)CO2 ZINC000840154288 1026988319 /nfs/dbraw/zinc/98/83/19/1026988319.db2.gz SSNGTGYNDPZCJM-FQEVSTJZSA-N 1 0 367.445 2.882 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000840479828 1027088742 /nfs/dbraw/zinc/08/87/42/1027088742.db2.gz RXIAGFPSQKZTHT-PXNSSMCTSA-N 1 0 358.530 2.872 20 10 FFCDRO Cc1ncccc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126083 1027226359 /nfs/dbraw/zinc/22/63/59/1027226359.db2.gz AYIIAUZWZXAGNB-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000248456053 1027637070 /nfs/dbraw/zinc/63/70/70/1027637070.db2.gz RWYJJBSNUGKSDT-QRVBRYPASA-N 1 0 373.541 2.848 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843614 1027850282 /nfs/dbraw/zinc/85/02/82/1027850282.db2.gz UXITVWZTTJBBLU-IBGZPJMESA-N 1 0 372.557 2.661 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 ZINC000795702716 1027896627 /nfs/dbraw/zinc/89/66/27/1027896627.db2.gz VUUKQSJNUCUAOU-JKBKZWBZSA-N 1 0 367.445 2.823 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CCc2cc(OC)ccc21 ZINC001161135126 1028029927 /nfs/dbraw/zinc/02/99/27/1028029927.db2.gz TXUUTGJTBKPAHR-NRFANRHFSA-N 1 0 367.493 2.997 20 10 FFCDRO [NH3+]C1(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCCC1 ZINC001161534035 1028218262 /nfs/dbraw/zinc/21/82/62/1028218262.db2.gz CFECNKBMTZBLMJ-UHFFFAOYSA-N 1 0 357.376 2.505 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161581902 1028239290 /nfs/dbraw/zinc/23/92/90/1028239290.db2.gz HARPBJFHVDKACA-UHFFFAOYSA-N 1 0 366.461 2.694 20 10 FFCDRO CN(C)c1cncc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155629669 1028825630 /nfs/dbraw/zinc/82/56/30/1028825630.db2.gz KYRYIJPIMJKQGD-XKGFGPFHSA-N 1 0 353.514 2.942 20 10 FFCDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001155630576 1028826886 /nfs/dbraw/zinc/82/68/86/1028826886.db2.gz PFKBJOIISKQICI-IXIUHKBRSA-N 1 0 370.453 2.628 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(CF)cn3)CC2)cc1 ZINC001164330515 1029247442 /nfs/dbraw/zinc/24/74/42/1029247442.db2.gz WZKQHWRBVPSGDV-UHFFFAOYSA-N 1 0 359.449 2.579 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3cc(Cl)ncn3)cc2)CC1 ZINC001156651156 1029286945 /nfs/dbraw/zinc/28/69/45/1029286945.db2.gz IRARDAFLDOPNRB-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc4[nH]ccc43)cc2)CC1 ZINC001156651854 1029288487 /nfs/dbraw/zinc/28/84/87/1029288487.db2.gz RFEXPWUNRMKHOP-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157433722 1029585213 /nfs/dbraw/zinc/58/52/13/1029585213.db2.gz LMDPFLUFDRMOLF-PLQDADFZSA-N 1 0 360.498 2.627 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000782778264 1029817180 /nfs/dbraw/zinc/81/71/80/1029817180.db2.gz BWMASIWTVJCSNI-UHFFFAOYSA-N 1 0 372.517 2.953 20 10 FFCDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840941320 1029937046 /nfs/dbraw/zinc/93/70/46/1029937046.db2.gz WPFOELPMUVCASO-UHFFFAOYSA-N 1 0 371.485 2.735 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000840976295 1029958156 /nfs/dbraw/zinc/95/81/56/1029958156.db2.gz UTAPUKXXKHETCL-IRLDBZIGSA-N 1 0 354.494 2.888 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000840975101 1029958181 /nfs/dbraw/zinc/95/81/81/1029958181.db2.gz DDJTVTAOWIQJDE-INIZCTEOSA-N 1 0 355.482 2.646 20 10 FFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841016202 1029977739 /nfs/dbraw/zinc/97/77/39/1029977739.db2.gz FWJXJRLDJGKEJT-UHFFFAOYSA-N 1 0 367.497 2.693 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1O ZINC000783504862 1030127744 /nfs/dbraw/zinc/12/77/44/1030127744.db2.gz NYDBZXUNOHMUNT-DOTOQJQBSA-N 1 0 353.466 2.945 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1O ZINC000783504864 1030128010 /nfs/dbraw/zinc/12/80/10/1030128010.db2.gz NYDBZXUNOHMUNT-NVXWUHKLSA-N 1 0 353.466 2.945 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000841305898 1030176106 /nfs/dbraw/zinc/17/61/06/1030176106.db2.gz DHNTXAZVNKAJQE-UHFFFAOYSA-N 1 0 366.465 2.695 20 10 FFCDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3c(O)ccc4c3CCCC4)cc2C1 ZINC000841323678 1030196600 /nfs/dbraw/zinc/19/66/00/1030196600.db2.gz AAYXKHCIMWKJSD-OAHLLOKOSA-N 1 0 366.465 2.804 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000841331801 1030204098 /nfs/dbraw/zinc/20/40/98/1030204098.db2.gz MNLPLENVCILWGV-UHFFFAOYSA-N 1 0 354.454 2.564 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000841624945 1030376745 /nfs/dbraw/zinc/37/67/45/1030376745.db2.gz HCKQFFDSUXIPRV-SFHVURJKSA-N 1 0 356.470 2.931 20 10 FFCDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000841689404 1030405255 /nfs/dbraw/zinc/40/52/55/1030405255.db2.gz CQLVZWMVVCLZBC-YJBOKZPZSA-N 1 0 356.422 2.565 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)ccc21 ZINC000841759453 1030446629 /nfs/dbraw/zinc/44/66/29/1030446629.db2.gz OAZSQALQXGTPBU-HXUWFJFHSA-N 1 0 370.541 2.989 20 10 FFCDRO C[NH2+]CCC1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000841778969 1030460673 /nfs/dbraw/zinc/46/06/73/1030460673.db2.gz IZTWNXOARRBLNG-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000841798173 1030472273 /nfs/dbraw/zinc/47/22/73/1030472273.db2.gz GIZCGGKHPJMSJF-BQFCYCMXSA-N 1 0 362.493 2.941 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000841857441 1030505338 /nfs/dbraw/zinc/50/53/38/1030505338.db2.gz ZCDHXLITJNGKSK-JXFKEZNVSA-N 1 0 352.482 2.774 20 10 FFCDRO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000841891622 1030521949 /nfs/dbraw/zinc/52/19/49/1030521949.db2.gz MXPUVKHJVADBFB-ZWKOTPCHSA-N 1 0 370.493 2.858 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000841938893 1030555195 /nfs/dbraw/zinc/55/51/95/1030555195.db2.gz CFWHEJIVMVPXHX-FQEVSTJZSA-N 1 0 374.529 2.572 20 10 FFCDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841963133 1030562009 /nfs/dbraw/zinc/56/20/09/1030562009.db2.gz XEPZGPRPPBLHDU-UHFFFAOYSA-N 1 0 354.498 2.627 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001142512779 1030563010 /nfs/dbraw/zinc/56/30/10/1030563010.db2.gz KNPUCDPYKNUBAZ-WDSOQIARSA-N 1 0 362.376 2.876 20 10 FFCDRO NC(=O)c1cc2cc(N3CC[NH+](Cc4ccccc4O)CC3)ccc2o1 ZINC001203558525 1030767870 /nfs/dbraw/zinc/76/78/70/1030767870.db2.gz LUPHSYKBAILLHN-UHFFFAOYSA-N 1 0 351.406 2.560 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001203592985 1030775126 /nfs/dbraw/zinc/77/51/26/1030775126.db2.gz JEBZAXJVVLIRJI-SFHVURJKSA-N 1 0 366.461 2.897 20 10 FFCDRO COc1cccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC001203599567 1030780197 /nfs/dbraw/zinc/78/01/97/1030780197.db2.gz IRRGYUTYTBAKJN-IBGZPJMESA-N 1 0 356.466 2.734 20 10 FFCDRO COCCOc1cccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC001203599267 1030781714 /nfs/dbraw/zinc/78/17/14/1030781714.db2.gz FMMUWYIJFODEQP-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1O ZINC001203608355 1030784444 /nfs/dbraw/zinc/78/44/44/1030784444.db2.gz MUEPTUNCOZYXLM-IYBDPMFKSA-N 1 0 356.422 2.588 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c1O ZINC001203616950 1030787376 /nfs/dbraw/zinc/78/73/76/1030787376.db2.gz BMRCWSPLIZBCIF-UHFFFAOYSA-N 1 0 355.438 2.580 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c(O)c1 ZINC001203622276 1030792150 /nfs/dbraw/zinc/79/21/50/1030792150.db2.gz WSVKTDAJUZMGCD-IBGZPJMESA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001203634405 1030798641 /nfs/dbraw/zinc/79/86/41/1030798641.db2.gz DPVZBOONIUJOFR-OAHLLOKOSA-N 1 0 358.413 2.934 20 10 FFCDRO CCO[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001203639343 1030800318 /nfs/dbraw/zinc/80/03/18/1030800318.db2.gz BPZXHOYFRGUZBU-BMFZPTHFSA-N 1 0 356.260 2.923 20 10 FFCDRO Cc1cnc(O[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)nc1 ZINC001203648572 1030805649 /nfs/dbraw/zinc/80/56/49/1030805649.db2.gz MCSFCDUVAOQOKF-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4cc(Cl)ccc4O)C[C@@H]3C2)cn1 ZINC001203656519 1030806781 /nfs/dbraw/zinc/80/67/81/1030806781.db2.gz RFJMPCIZFXYPEQ-WBVHZDCISA-N 1 0 360.889 2.733 20 10 FFCDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000842668235 1030890538 /nfs/dbraw/zinc/89/05/38/1030890538.db2.gz GDOKFWJQKIILAD-UHFFFAOYSA-N 1 0 360.477 2.929 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](Cc2ccc(F)cc2C)C(=O)NC)c1 ZINC000842722312 1030922998 /nfs/dbraw/zinc/92/29/98/1030922998.db2.gz NWTCFBOQELTQIA-KRWDZBQOSA-N 1 0 374.456 2.933 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)cc1C ZINC000842721715 1030925672 /nfs/dbraw/zinc/92/56/72/1030925672.db2.gz JAKMOHJQXLPOHK-SFHVURJKSA-N 1 0 356.441 2.764 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)cc1O ZINC001203879684 1030956253 /nfs/dbraw/zinc/95/62/53/1030956253.db2.gz XVGLWKDXCODVKO-OXQOHEQNSA-N 1 0 356.422 2.695 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203936287 1030995801 /nfs/dbraw/zinc/99/58/01/1030995801.db2.gz CEQVFHBBZZFVDD-UHFFFAOYSA-N 1 0 353.466 2.861 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCOC)C3=O)C2)cc1 ZINC001203939315 1030997544 /nfs/dbraw/zinc/99/75/44/1030997544.db2.gz NWSXOKVEATXRMG-JOCHJYFZSA-N 1 0 373.541 2.994 20 10 FFCDRO COc1c(O)c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000843116422 1031191901 /nfs/dbraw/zinc/19/19/01/1031191901.db2.gz NNCWYZFHHAYHMY-INIZCTEOSA-N 1 0 361.373 2.595 20 10 FFCDRO Oc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c(O)c1 ZINC001204271651 1031198333 /nfs/dbraw/zinc/19/83/33/1031198333.db2.gz BBSJQQGBLXNKCL-UHFFFAOYSA-N 1 0 364.243 2.578 20 10 FFCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204278199 1031204037 /nfs/dbraw/zinc/20/40/37/1031204037.db2.gz XREFPSNDNGTHHP-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001204343033 1031237199 /nfs/dbraw/zinc/23/71/99/1031237199.db2.gz PBURTBNFCIVQBU-UHFFFAOYSA-N 1 0 364.442 2.551 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(O)c1O ZINC001204344930 1031241385 /nfs/dbraw/zinc/24/13/85/1031241385.db2.gz LNZCLQCDFSYKHQ-ROUUACIJSA-N 1 0 354.450 2.670 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc(O)c1O ZINC001204347105 1031242281 /nfs/dbraw/zinc/24/22/81/1031242281.db2.gz MWDMLCUNVMBAJO-HUUCEWRRSA-N 1 0 360.479 2.732 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1O ZINC000798119933 1031314043 /nfs/dbraw/zinc/31/40/43/1031314043.db2.gz IPUJYOAZWDCMLD-KRWDZBQOSA-N 1 0 361.486 2.997 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843347173 1031337706 /nfs/dbraw/zinc/33/77/06/1031337706.db2.gz BLIPJQKPHHAJKL-MRXNPFEDSA-N 1 0 369.465 2.676 20 10 FFCDRO COC(=O)c1ccc(C)c(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349748 1031343412 /nfs/dbraw/zinc/34/34/12/1031343412.db2.gz AAQCRUOPDPFJMN-UHFFFAOYSA-N 1 0 367.449 2.632 20 10 FFCDRO Cc1ccc(NC(=O)NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c(C)c1 ZINC000843350468 1031344613 /nfs/dbraw/zinc/34/46/13/1031344613.db2.gz RIKOUHAWRGOUSW-UHFFFAOYSA-N 1 0 366.465 2.863 20 10 FFCDRO C[NH2+]C1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)CC1 ZINC000843351397 1031345597 /nfs/dbraw/zinc/34/55/97/1031345597.db2.gz NGFUTMNKMSAOMM-UHFFFAOYSA-N 1 0 369.465 2.689 20 10 FFCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000843428274 1031399436 /nfs/dbraw/zinc/39/94/36/1031399436.db2.gz HCIOYDVIBXIBSY-INIZCTEOSA-N 1 0 353.466 2.611 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000843485190 1031423931 /nfs/dbraw/zinc/42/39/31/1031423931.db2.gz OPPAQIGRUGALOD-QFBILLFUSA-N 1 0 354.450 2.861 20 10 FFCDRO [NH3+]C[C@@H]1CCCCN(Cc2ccc(I)cc2O)C1 ZINC001206631859 1031587023 /nfs/dbraw/zinc/58/70/23/1031587023.db2.gz BGFKOCHOZDGFMX-NSHDSACASA-N 1 0 360.239 2.558 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000799199617 1031696511 /nfs/dbraw/zinc/69/65/11/1031696511.db2.gz ZRFWQOSYBVQJRA-IBGZPJMESA-N 1 0 367.417 2.526 20 10 FFCDRO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000799980215 1031941161 /nfs/dbraw/zinc/94/11/61/1031941161.db2.gz MWDOUYGPMBWVQP-CSODHUTKSA-N 1 0 371.525 2.648 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CCCN(C(=O)OC)CC2)c1O ZINC001115943823 1032028366 /nfs/dbraw/zinc/02/83/66/1032028366.db2.gz WEQAAGNQWVFJEA-UHFFFAOYSA-N 1 0 372.421 2.606 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@]34C[NH2+][C@@H](CO3)C4)cc2)cc1 ZINC001219203618 1033554264 /nfs/dbraw/zinc/55/42/64/1033554264.db2.gz KUMHZMNRDAIHQC-TUNLBVKRSA-N 1 0 363.461 2.992 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)cc1 ZINC001219204255 1033554797 /nfs/dbraw/zinc/55/47/97/1033554797.db2.gz WPDZNVBZVIFBGZ-ONEGZZNKSA-N 1 0 364.493 2.767 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)ccc1N1CCCCC1 ZINC000830609442 1033707383 /nfs/dbraw/zinc/70/73/83/1033707383.db2.gz HJXICLHKWJFAEB-HDICACEKSA-N 1 0 374.485 2.538 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)CC2)cc1F ZINC000831146329 1033965674 /nfs/dbraw/zinc/96/56/74/1033965674.db2.gz FERANYPHTFCJCP-AWEZNQCLSA-N 1 0 357.429 2.816 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000831311905 1034030215 /nfs/dbraw/zinc/03/02/15/1034030215.db2.gz PNCULTFJLDBZDK-UHFFFAOYSA-N 1 0 368.481 2.576 20 10 FFCDRO COc1cc(C)nc(N2CC[NH+](Cc3c(C)n(C)c4ccccc43)CC2)n1 ZINC001138259106 1034030342 /nfs/dbraw/zinc/03/03/42/1034030342.db2.gz BACRMKSFOMGUQO-UHFFFAOYSA-N 1 0 365.481 2.916 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025873 1034169175 /nfs/dbraw/zinc/16/91/75/1034169175.db2.gz HCQSDLFZDCNNGT-HXUWFJFHSA-N 1 0 364.461 2.691 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277025633 1034169683 /nfs/dbraw/zinc/16/96/83/1034169683.db2.gz GALDONJIAITBJC-JLTOFOAXSA-N 1 0 362.445 2.774 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138356677 1034193411 /nfs/dbraw/zinc/19/34/11/1034193411.db2.gz VFGFPCGFTAKDNR-UHFFFAOYSA-N 1 0 368.481 2.501 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(NC(=O)c4ccncc4)CC3)ccc21 ZINC001138358991 1034194556 /nfs/dbraw/zinc/19/45/56/1034194556.db2.gz GOMBAFZHOBCDDP-UHFFFAOYSA-N 1 0 364.493 2.858 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359296 1034197053 /nfs/dbraw/zinc/19/70/53/1034197053.db2.gz PVYMREVVGXPXER-LJQANCHMSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)cc1 ZINC000831749026 1034256459 /nfs/dbraw/zinc/25/64/59/1034256459.db2.gz VVSZNCYVEUJLTM-GFYPRVCPSA-N 1 0 371.525 2.791 20 10 FFCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138494671 1034332015 /nfs/dbraw/zinc/33/20/15/1034332015.db2.gz FFWZPFNIQRDEGN-IBGZPJMESA-N 1 0 359.514 2.604 20 10 FFCDRO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496362 1034334463 /nfs/dbraw/zinc/33/44/63/1034334463.db2.gz OPQCFISNHSXIRK-JOCHJYFZSA-N 1 0 371.525 2.890 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001138499313 1034340178 /nfs/dbraw/zinc/34/01/78/1034340178.db2.gz CSJLEEXSHFBNDC-HXUWFJFHSA-N 1 0 369.465 2.580 20 10 FFCDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1 ZINC000832286066 1034702338 /nfs/dbraw/zinc/70/23/38/1034702338.db2.gz VXRWFCFVDXWUAR-AUUYWEPGSA-N 1 0 371.456 2.917 20 10 FFCDRO COc1cc(CN2CCO[C@@H](Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139258916 1035031272 /nfs/dbraw/zinc/03/12/72/1035031272.db2.gz AODFNBMWHLURMR-FQEVSTJZSA-N 1 0 370.493 2.906 20 10 FFCDRO CCOC(=O)CN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CCCC1 ZINC001139261218 1035033649 /nfs/dbraw/zinc/03/36/49/1035033649.db2.gz WTOVFQLJKMBZRZ-UHFFFAOYSA-N 1 0 364.486 2.770 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000833566553 1035211701 /nfs/dbraw/zinc/21/17/01/1035211701.db2.gz YFJNYJBKYSMJOK-GOSISDBHSA-N 1 0 373.472 2.810 20 10 FFCDRO Oc1ccc(F)cc1CN1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001140055759 1035324417 /nfs/dbraw/zinc/32/44/17/1035324417.db2.gz SSLNLJQBAFEAFB-OAHLLOKOSA-N 1 0 368.412 2.834 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c1O ZINC001140181410 1035370972 /nfs/dbraw/zinc/37/09/72/1035370972.db2.gz UHOXGOCEFBNHNQ-QRVBRYPASA-N 1 0 358.482 2.753 20 10 FFCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282996 1035417364 /nfs/dbraw/zinc/41/73/64/1035417364.db2.gz HTEBSXKKSOYYGG-VXKWHMMOSA-N 1 0 374.525 2.665 20 10 FFCDRO Oc1cccc(Cl)c1C[N@H+]1CCc2nnc(Cn3cccc3)n2CC1 ZINC001140338237 1035442810 /nfs/dbraw/zinc/44/28/10/1035442810.db2.gz BTDAARCUKNCHPV-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140342805 1035445584 /nfs/dbraw/zinc/44/55/84/1035445584.db2.gz YZFFLCACEVTCIM-UHFFFAOYSA-N 1 0 372.918 2.683 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001140466327 1035485483 /nfs/dbraw/zinc/48/54/83/1035485483.db2.gz BJKYRZFTPYHSHQ-YQVWRLOYSA-N 1 0 367.873 2.688 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000835036736 1035491498 /nfs/dbraw/zinc/49/14/98/1035491498.db2.gz QPVLDPLXMNXZFT-IYZQMXKPSA-N 1 0 365.521 2.775 20 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CCc1ccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c(O)c1 ZINC001236786090 1038265309 /nfs/dbraw/zinc/26/53/09/1038265309.db2.gz DAPQEABHPQIHOI-IBGZPJMESA-N 1 0 365.477 2.988 20 10 FFCDRO CCc1ccc(C[NH+]2CCN(c3ccnc(N4CCCC4)n3)CC2)c(O)c1 ZINC001236791849 1038273100 /nfs/dbraw/zinc/27/31/00/1038273100.db2.gz MMJKMZAIPRTYJW-UHFFFAOYSA-N 1 0 367.497 2.667 20 10 FFCDRO CC[NH+](CC)CC[C@H](C)N1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001255970505 1038281316 /nfs/dbraw/zinc/28/13/16/1038281316.db2.gz CTJJLJXKQSYXEO-IBGZPJMESA-N 1 0 363.546 2.954 20 10 FFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236931893 1038363855 /nfs/dbraw/zinc/36/38/55/1038363855.db2.gz UGCLEUCXXOMKNE-SFHVURJKSA-N 1 0 352.862 2.562 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c(O)c1 ZINC001237040183 1038418794 /nfs/dbraw/zinc/41/87/94/1038418794.db2.gz FNDPMDBKUDEBRV-WMLDXEAASA-N 1 0 356.422 2.730 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c(O)c1 ZINC001237044015 1038420003 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C[C@@H]1C[C@H](NCC(=O)c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529598 1038547095 /nfs/dbraw/zinc/54/70/95/1038547095.db2.gz CTRUJNYGMDTRBI-CRAIPNDOSA-N 1 0 354.450 2.923 20 10 FFCDRO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001257073311 1038702561 /nfs/dbraw/zinc/70/25/61/1038702561.db2.gz ZCJGWTRJNIOPSF-JKSUJKDBSA-N 1 0 362.470 2.558 20 10 FFCDRO COc1ccc(C[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC001250953800 1038850114 /nfs/dbraw/zinc/85/01/14/1038850114.db2.gz UIJGSWVZRNZIIK-UHFFFAOYSA-N 1 0 364.486 2.855 20 10 FFCDRO CC[N@H+](Cc1ccccc1O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251302901 1039057870 /nfs/dbraw/zinc/05/78/70/1039057870.db2.gz FOZBZWDNLRSIGE-FQEVSTJZSA-N 1 0 364.486 2.976 20 10 FFCDRO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276676081 1039308434 /nfs/dbraw/zinc/30/84/34/1039308434.db2.gz STDMPNWFFVSGFF-OAHLLOKOSA-N 1 0 354.450 2.757 20 10 FFCDRO Oc1cccc(Cl)c1C[N@@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001278490495 1039849538 /nfs/dbraw/zinc/84/95/38/1039849538.db2.gz HFFKSGDJICTZAO-UHFFFAOYSA-N 1 0 360.889 2.840 20 10 FFCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2c(O)cccc2Cl)C3)n(C)n1 ZINC001278490670 1039864344 /nfs/dbraw/zinc/86/43/44/1039864344.db2.gz JDUXJOHDBOXXJL-ZBFHGGJFSA-N 1 0 360.889 2.794 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001253070190 1039962418 /nfs/dbraw/zinc/96/24/18/1039962418.db2.gz FLSHSTNKZDPXFA-LJQANCHMSA-N 1 0 359.466 2.722 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](C[C@H](O)C(C)C)C3)C2)cc1 ZINC001253760909 1040357322 /nfs/dbraw/zinc/35/73/22/1040357322.db2.gz RPENTOGJHXLDQQ-LEWJYISDSA-N 1 0 362.514 2.631 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCC4(CC3)CC(=O)NC(=O)C4)ccc2O1 ZINC001249252178 1040654549 /nfs/dbraw/zinc/65/45/49/1040654549.db2.gz HSMHYIASYNWGPL-UHFFFAOYSA-N 1 0 370.449 2.595 20 10 FFCDRO Cc1cc(C[NH+]2CCC(n3cnnc3)CC2)c(O)cc1Br ZINC001250133707 1041124648 /nfs/dbraw/zinc/12/46/48/1041124648.db2.gz QGOOBYVVHSXBRY-UHFFFAOYSA-N 1 0 351.248 2.892 20 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ZINC001266175974 1042899709 /nfs/dbraw/zinc/89/97/09/1042899709.db2.gz XTRZHDBWGDXOII-KBAYOESNSA-N 1 0 370.497 2.525 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001279220319 1042949355 /nfs/dbraw/zinc/94/93/55/1042949355.db2.gz DIFLLMGMYLCYBA-ZYSHUDEJSA-N 1 0 354.450 2.653 20 10 FFCDRO Cc1cc(CN2CC3(C2)CC[NH+](Cc2cccc(C)c2O)CC3)n(C)n1 ZINC001279290453 1042985888 /nfs/dbraw/zinc/98/58/88/1042985888.db2.gz OZZXQFPSAPTCSY-UHFFFAOYSA-N 1 0 354.498 2.841 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237214998 1043057994 /nfs/dbraw/zinc/05/79/94/1043057994.db2.gz IVOPZKVJHMCMPK-QUCCMNQESA-N 1 0 364.530 2.974 20 10 FFCDRO c1cncc(COc2ccc(N3CCN(C[C@@H]4CCCC[NH2+]4)CC3)cc2)c1 ZINC001237258482 1043078421 /nfs/dbraw/zinc/07/84/21/1043078421.db2.gz NZHCSOBSYUOSTE-FQEVSTJZSA-N 1 0 366.509 2.925 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2c([O-])cccc2F)C3)CCC1 ZINC001279421266 1043095057 /nfs/dbraw/zinc/09/50/57/1043095057.db2.gz DIASYZBBJBCYRQ-GJZGRUSLSA-N 1 0 362.445 2.523 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)cc1Cl ZINC001279432413 1043106426 /nfs/dbraw/zinc/10/64/26/1043106426.db2.gz DYIMFZZHRKTTSI-MJGOQNOKSA-N 1 0 361.873 2.767 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001279474475 1043156929 /nfs/dbraw/zinc/15/69/29/1043156929.db2.gz NRACISROHMNBLQ-UHFFFAOYSA-N 1 0 362.514 2.818 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001237481695 1043194954 /nfs/dbraw/zinc/19/49/54/1043194954.db2.gz HTXKPLWHXWITEL-HNNXBMFYSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2[C@H](C1)OCCN2C(=O)OC(C)(C)C ZINC001237484312 1043196152 /nfs/dbraw/zinc/19/61/52/1043196152.db2.gz BFTFBWVKUAADLZ-WMZOPIPTSA-N 1 0 362.470 2.911 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC001237488055 1043202414 /nfs/dbraw/zinc/20/24/14/1043202414.db2.gz QBFNLIOQZBQSNQ-PXNSSMCTSA-N 1 0 364.445 2.850 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001237488470 1043203766 /nfs/dbraw/zinc/20/37/66/1043203766.db2.gz LXCBEVXSDWCLLB-OALUTQOASA-N 1 0 353.466 2.571 20 10 FFCDRO Oc1cc(O)c(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)cc1Cl ZINC001279573070 1043278775 /nfs/dbraw/zinc/27/87/75/1043278775.db2.gz RXVRXGXNMKONDV-GASCZTMLSA-N 1 0 352.862 2.579 20 10 FFCDRO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001279572633 1043278800 /nfs/dbraw/zinc/27/88/00/1043278800.db2.gz MVTFDMJYZQDFNC-AGUYFDCRSA-N 1 0 367.877 2.954 20 10 FFCDRO Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001237650785 1043292202 /nfs/dbraw/zinc/29/22/02/1043292202.db2.gz UURGWCGFIGSVJU-UHFFFAOYSA-N 1 0 365.412 2.706 20 10 FFCDRO COC(=O)C1(O)CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237648868 1043292928 /nfs/dbraw/zinc/29/29/28/1043292928.db2.gz HVDYSGXHEBCDEB-UHFFFAOYSA-N 1 0 359.397 2.698 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237668358 1043300414 /nfs/dbraw/zinc/30/04/14/1043300414.db2.gz COBUEXVQMPGFQH-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3noc4ccccc43)CC2)c(O)c(OC)c1 ZINC001237675092 1043302890 /nfs/dbraw/zinc/30/28/90/1043302890.db2.gz SNTHSFLKUFNZEG-UHFFFAOYSA-N 1 0 369.421 2.873 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c(O)c(OC)c1 ZINC001237673553 1043303760 /nfs/dbraw/zinc/30/37/60/1043303760.db2.gz QZFBNQCHIRJVDI-OAQYLSRUSA-N 1 0 374.481 2.634 20 10 FFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1cc(OC)cc(OC)c1O)CC2 ZINC001237673880 1043303878 /nfs/dbraw/zinc/30/38/78/1043303878.db2.gz NPFNEHCPQOOGNN-MRXNPFEDSA-N 1 0 365.470 2.675 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@]3(CCCCN3C(C)=O)C2)c(O)c(OC)c1 ZINC001237674493 1043304097 /nfs/dbraw/zinc/30/40/97/1043304097.db2.gz SCTANGXHPJOKOS-HXUWFJFHSA-N 1 0 362.470 2.776 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c(OC)c1 ZINC001237677135 1043305429 /nfs/dbraw/zinc/30/54/29/1043305429.db2.gz XMOCZHQSKOISOA-FXAWDEMLSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(O)c(OC)c1 ZINC001237683069 1043309536 /nfs/dbraw/zinc/30/95/36/1043309536.db2.gz DYUVMHWRDCOJED-IRXDYDNUSA-N 1 0 354.450 2.978 20 10 FFCDRO CCC(=O)N(CC)C1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237684147 1043311433 /nfs/dbraw/zinc/31/14/33/1043311433.db2.gz NEAPUUKJDZMMBZ-UHFFFAOYSA-N 1 0 350.459 2.632 20 10 FFCDRO Cc1noc(C[C@@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(C)c4O)C[C@H]3O2)n1 ZINC001237687058 1043313628 /nfs/dbraw/zinc/31/36/28/1043313628.db2.gz VYSJQSAKOWYCAV-VBNZEHGJSA-N 1 0 363.845 2.877 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)c(O)c1 ZINC001279664245 1043427061 /nfs/dbraw/zinc/42/70/61/1043427061.db2.gz YUAQBCMTTJSSIW-QFBILLFUSA-N 1 0 353.466 2.762 20 10 FFCDRO CCOc1ccc(C[NH+]2CC3(CN(Cc4scnc4C)C3)C2)c(O)c1 ZINC001279671481 1043441750 /nfs/dbraw/zinc/44/17/50/1043441750.db2.gz WKFXSUZBBLCFCX-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO CC(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(O)c1 ZINC001279673679 1043443685 /nfs/dbraw/zinc/44/36/85/1043443685.db2.gz OELUTRSSMSVRLA-CTNGQTDRSA-N 1 0 355.482 2.929 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCCC3(CN(CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001279673817 1043444808 /nfs/dbraw/zinc/44/48/08/1043444808.db2.gz POCYTURDZKPCIQ-UHFFFAOYSA-N 1 0 359.514 2.502 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1O ZINC001238060437 1043506807 /nfs/dbraw/zinc/50/68/07/1043506807.db2.gz IGOZRXRKUZEWBW-WIYYLYMNSA-N 1 0 372.440 2.900 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001238063232 1043511284 /nfs/dbraw/zinc/51/12/84/1043511284.db2.gz YQGZFXCTBHDUTP-AEFFLSMTSA-N 1 0 358.461 2.527 20 10 FFCDRO CN(C)CC[N@@H+]1CCCC2(CCN(c3ccc4c(c3)OCCO4)CC2)C1 ZINC001279764956 1043608496 /nfs/dbraw/zinc/60/84/96/1043608496.db2.gz JDDUSNBUSSUCLW-UHFFFAOYSA-N 1 0 359.514 2.702 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001279955513 1043980262 /nfs/dbraw/zinc/98/02/62/1043980262.db2.gz CIOYWIRJUYANKF-QFBILLFUSA-N 1 0 358.482 2.556 20 10 FFCDRO O=C(Nc1nnco1)[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279967963 1044001092 /nfs/dbraw/zinc/00/10/92/1044001092.db2.gz CMVWZQYZOBJMKV-CQSZACIVSA-N 1 0 356.426 2.796 20 10 FFCDRO O=C(Nc1nnco1)[C@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279967962 1044001810 /nfs/dbraw/zinc/00/18/10/1044001810.db2.gz CMVWZQYZOBJMKV-AWEZNQCLSA-N 1 0 356.426 2.796 20 10 FFCDRO O=C(NCc1c(F)cccc1F)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001279968660 1044003828 /nfs/dbraw/zinc/00/38/28/1044003828.db2.gz NCMCSXVPQUGPDD-JLTOFOAXSA-N 1 0 358.388 2.809 20 10 FFCDRO S=C(NCc1ccc(N2CC[NH2+]CC2)cc1)NCc1cccc(Cl)c1 ZINC001239368684 1044105430 /nfs/dbraw/zinc/10/54/30/1044105430.db2.gz IDAJDMQPIKTWEN-UHFFFAOYSA-N 1 0 374.941 2.914 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCc3nc(C(=O)NCC(F)F)ccc3C2)c(O)c1 ZINC001280046794 1044134585 /nfs/dbraw/zinc/13/45/85/1044134585.db2.gz QORGMKYFLVNDHH-UHFFFAOYSA-N 1 0 361.392 2.649 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC(C)(C)[NH2+]C(C)(C)C3)C2)cc1 ZINC001312995668 1044206592 /nfs/dbraw/zinc/20/65/92/1044206592.db2.gz YUZRNYIBLUSIQS-INIZCTEOSA-N 1 0 374.529 2.836 20 10 FFCDRO O=c1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccn1Cc1cccc(F)c1 ZINC001241778000 1044598103 /nfs/dbraw/zinc/59/81/03/1044598103.db2.gz VWMXXDJDOGACIL-UHFFFAOYSA-N 1 0 352.413 2.824 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3onc(C(=O)NCC(F)F)c3C2)c1O ZINC001280345877 1044634400 /nfs/dbraw/zinc/63/44/00/1044634400.db2.gz GKODVKZYHJDBEO-UHFFFAOYSA-N 1 0 365.380 2.550 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3ccccc3)cc2F)CC1 ZINC001318553424 1044746200 /nfs/dbraw/zinc/74/62/00/1044746200.db2.gz YCPUXSXFOKEXMW-OAQYLSRUSA-N 1 0 357.473 2.575 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001320134104 1045353926 /nfs/dbraw/zinc/35/39/26/1045353926.db2.gz USKWMEONGYUREY-UKRRQHHQSA-N 1 0 352.500 2.510 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3cnc(C4CC4)nc3)cc2F)CC1 ZINC001320198309 1045367114 /nfs/dbraw/zinc/36/71/14/1045367114.db2.gz SJPRXYRQAQKOOR-UHFFFAOYSA-N 1 0 369.488 2.577 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324732081 1046192538 /nfs/dbraw/zinc/19/25/38/1046192538.db2.gz AUTQGZOAYZHIJK-MJGOQNOKSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(CC(F)F)CC3)C2)cc1 ZINC001325918218 1046685989 /nfs/dbraw/zinc/68/59/89/1046685989.db2.gz RHLNUIOEKIGVQF-OAHLLOKOSA-N 1 0 353.457 2.841 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC001326012684 1046723814 /nfs/dbraw/zinc/72/38/14/1046723814.db2.gz HRIMMDLWYHWNJB-UHFFFAOYSA-N 1 0 356.495 2.673 20 10 FFCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001326129790 1046777369 /nfs/dbraw/zinc/77/73/69/1046777369.db2.gz OKVZZEBQUGHGHK-HXUWFJFHSA-N 1 0 371.500 2.579 20 10 FFCDRO CCCOc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289600531 1047707149 /nfs/dbraw/zinc/70/71/49/1047707149.db2.gz RKWJYRWNACZLBF-SFHVURJKSA-N 1 0 370.497 2.969 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)Cc1ccccc1 ZINC001327953841 1048108658 /nfs/dbraw/zinc/10/86/58/1048108658.db2.gz ZQDASTJSCQIFBG-HXUWFJFHSA-N 1 0 371.500 2.925 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC001333634830 1049019825 /nfs/dbraw/zinc/01/98/25/1049019825.db2.gz LBYANDMTRAINKC-INIZCTEOSA-N 1 0 368.472 2.919 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001292235465 1049202395 /nfs/dbraw/zinc/20/23/95/1049202395.db2.gz KLFCUEFLAMUQPD-IEBWSBKVSA-N 1 0 359.514 2.821 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334158536 1049282438 /nfs/dbraw/zinc/28/24/38/1049282438.db2.gz ZNUKFXRCLCYFPE-BBWFWOEESA-N 1 0 362.493 2.763 20 10 FFCDRO CN1CCN(c2ccc(CN3CCN(c4cccs4)CC3)cc2F)CC1 ZINC001341569043 1050195306 /nfs/dbraw/zinc/19/53/06/1050195306.db2.gz KXXGFVNDIUMHCW-UHFFFAOYSA-N 1 0 374.529 2.961 20 10 FFCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCCCC1 ZINC001341571308 1050197940 /nfs/dbraw/zinc/19/79/40/1050197940.db2.gz OYEDGRNGLDCSHG-NRFANRHFSA-N 1 0 373.541 2.809 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12CCC(CC1)[NH2+]2 ZINC001341618291 1050245194 /nfs/dbraw/zinc/24/51/94/1050245194.db2.gz HANKRLOTCYOKMA-BIWSTMPVSA-N 1 0 365.424 2.658 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001341688148 1050309435 /nfs/dbraw/zinc/30/94/35/1050309435.db2.gz DTWOZHWDHGJGLT-WSTZPKSXSA-N 1 0 359.514 2.778 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2=CCC[NH2+]CC2)cc1 ZINC001341688796 1050310344 /nfs/dbraw/zinc/31/03/44/1050310344.db2.gz LXCZHHHKKYYAMC-HXUWFJFHSA-N 1 0 357.498 2.570 20 10 FFCDRO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC001341979602 1050576215 /nfs/dbraw/zinc/57/62/15/1050576215.db2.gz IVAFEPCWNQJMLO-LWLYASCRSA-N 1 0 356.397 2.812 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCC[NH2+]CC1 ZINC001340234973 1050642338 /nfs/dbraw/zinc/64/23/38/1050642338.db2.gz SSLGGWQPFSMFJS-HNNXBMFYSA-N 1 0 365.424 2.683 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001340755190 1051110185 /nfs/dbraw/zinc/11/01/85/1051110185.db2.gz YXUFWYLIUSGHEW-WBMJQRKESA-N 1 0 353.260 2.645 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C)O1 ZINC001343038597 1051654419 /nfs/dbraw/zinc/65/44/19/1051654419.db2.gz GNTJWFPMTZBUIH-HIRMHNASSA-N 1 0 362.518 2.611 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C3CCCCC3)cc2F)CC1 ZINC001343561686 1052308147 /nfs/dbraw/zinc/30/81/47/1052308147.db2.gz UEDLHCHCPLHDKU-OAQYLSRUSA-N 1 0 363.521 2.998 20 10 FFCDRO CN(C)c1ccc([C@@H](CNCc2n[nH]cc2Br)[NH+](C)C)cc1 ZINC001308972848 1052528717 /nfs/dbraw/zinc/52/87/17/1052528717.db2.gz UCLGDNPMIMJOGU-MRXNPFEDSA-N 1 0 366.307 2.631 20 10 FFCDRO [NH3+][C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001335933430 1053651560 /nfs/dbraw/zinc/65/15/60/1053651560.db2.gz HULKOHZIIKPSCI-HOTGVXAUSA-N 1 0 370.419 2.708 20 10 FFCDRO Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CCCSc1nccs1 ZINC001543308566 1071443948 /nfs/dbraw/zinc/44/39/48/1071443948.db2.gz FWWWGOLHGSOMCL-UHFFFAOYSA-N 1 0 366.560 2.756 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC001337005368 1054405111 /nfs/dbraw/zinc/40/51/11/1054405111.db2.gz YYRNDNKOLYEHIT-LAUBAEHRSA-N 1 0 367.449 2.790 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001348428134 1054688286 /nfs/dbraw/zinc/68/82/86/1054688286.db2.gz LGAUAKVPTVFMBV-AWEZNQCLSA-N 1 0 370.453 2.825 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001351687958 1054953078 /nfs/dbraw/zinc/95/30/78/1054953078.db2.gz LLTKWPVWXRAJMR-AWEZNQCLSA-N 1 0 358.408 2.749 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)ccc21 ZINC001351974572 1055095815 /nfs/dbraw/zinc/09/58/15/1055095815.db2.gz AFPOIHYOBZYCOW-XUVXKRRUSA-N 1 0 370.541 2.941 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(O)c1OC ZINC001352023691 1055131897 /nfs/dbraw/zinc/13/18/97/1055131897.db2.gz XSAUGVDBINIMCC-MLGOLLRUSA-N 1 0 363.376 2.983 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cccc(CC)c3O)CC2)n1 ZINC000848891219 1055311737 /nfs/dbraw/zinc/31/17/37/1055311737.db2.gz XJRWVOSFLBBDMQ-UHFFFAOYSA-N 1 0 356.470 2.856 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000848912363 1055352724 /nfs/dbraw/zinc/35/27/24/1055352724.db2.gz PTDFOELBEBWOPQ-SFTDATJTSA-N 1 0 354.494 2.927 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001350154370 1055651106 /nfs/dbraw/zinc/65/11/06/1055651106.db2.gz KBBRSKYXUZWSPQ-MNOVXSKESA-N 1 0 351.390 2.816 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001338682529 1055728477 /nfs/dbraw/zinc/72/84/77/1055728477.db2.gz JQVLIPLHAQGZEN-HZPDHXFCSA-N 1 0 357.454 2.943 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001544524157 1071655234 /nfs/dbraw/zinc/65/52/34/1071655234.db2.gz RJQZRXMPSICOSZ-PMACEKPBSA-N 1 0 359.514 2.745 20 10 FFCDRO CN(C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC001446562325 1058528674 /nfs/dbraw/zinc/52/86/74/1058528674.db2.gz BXKUMPBVZHMHIZ-MRXNPFEDSA-N 1 0 358.438 2.868 20 10 FFCDRO CNC(=O)c1cccc(CC[NH2+]Cc2c(O)cccc2Br)c1 ZINC001200692021 1059115542 /nfs/dbraw/zinc/11/55/42/1059115542.db2.gz MDUFVFGCLLXXJG-UHFFFAOYSA-N 1 0 363.255 2.847 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2F)CC1 ZINC001355302701 1060092702 /nfs/dbraw/zinc/09/27/02/1060092702.db2.gz SRXUZCLSOJZXHH-GHTZIAJQSA-N 1 0 361.505 2.872 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458617814 1060636337 /nfs/dbraw/zinc/63/63/37/1060636337.db2.gz LAAMMDGZKVUBKE-PXAMLJHWSA-N 1 0 367.405 2.932 20 10 FFCDRO CCc1nn(C)c(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC001458681795 1060646143 /nfs/dbraw/zinc/64/61/43/1060646143.db2.gz MTNLWFOPOZGNOU-INIZCTEOSA-N 1 0 360.462 2.672 20 10 FFCDRO CCCCO[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001460081215 1060891897 /nfs/dbraw/zinc/89/18/97/1060891897.db2.gz XAJRQRIPNMFCOG-OALUTQOASA-N 1 0 361.530 2.942 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC=CC13CCCCC3)cc2=O ZINC001460980917 1061176946 /nfs/dbraw/zinc/17/69/46/1061176946.db2.gz OIIFGRBQKQABHT-UHFFFAOYSA-N 1 0 356.426 2.686 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCC[C@H](C)C1 ZINC001461046308 1061196526 /nfs/dbraw/zinc/19/65/26/1061196526.db2.gz YDWLFRDGPIENIP-ROUUACIJSA-N 1 0 362.537 2.788 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c(OC)c1 ZINC001461068441 1061202320 /nfs/dbraw/zinc/20/23/20/1061202320.db2.gz YVRIXVAHMBQAGP-UHFFFAOYSA-N 1 0 373.472 2.885 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc(C(N)=O)c3)cc2F)C[C@H](C)O1 ZINC001461068609 1061203219 /nfs/dbraw/zinc/20/32/19/1061203219.db2.gz WUUYVFJJLVXQLG-GJZGRUSLSA-N 1 0 371.456 2.828 20 10 FFCDRO COC(=O)COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC001461110825 1061214747 /nfs/dbraw/zinc/21/47/47/1061214747.db2.gz FNNIJSDKJXZKJN-UHFFFAOYSA-N 1 0 354.450 2.911 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC001461760130 1061400420 /nfs/dbraw/zinc/40/04/20/1061400420.db2.gz KNLUGOIEUAFALN-UHFFFAOYSA-N 1 0 371.506 2.696 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(Cl)cc3O)CC2)n1 ZINC001461929857 1061453841 /nfs/dbraw/zinc/45/38/41/1061453841.db2.gz ORCANCFOOILFDT-UHFFFAOYSA-N 1 0 362.861 2.947 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001528038426 1061725863 /nfs/dbraw/zinc/72/58/63/1061725863.db2.gz YBAOIQIKMFZEGH-MSOLQXFVSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cccc(Br)c3O)C[N@@H+]2C1 ZINC001528323177 1061860088 /nfs/dbraw/zinc/86/00/88/1061860088.db2.gz PFBRRMNNBWMCCB-KWCYVHTRSA-N 1 0 367.287 2.891 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H](F)C2)[NH+](C)C)cc1 ZINC001478877051 1062138435 /nfs/dbraw/zinc/13/84/35/1062138435.db2.gz SXBJBJQYEVYBRS-NUJGCVRESA-N 1 0 350.482 2.935 20 10 FFCDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2)CC1 ZINC001463540674 1062152859 /nfs/dbraw/zinc/15/28/59/1062152859.db2.gz HOODWZAXYBVOEP-UHFFFAOYSA-N 1 0 366.425 2.853 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(F)(F)C(C)(C)C)cc2)CC1 ZINC001470891760 1064482035 /nfs/dbraw/zinc/48/20/35/1064482035.db2.gz IUOXVBKEJQXPOO-UHFFFAOYSA-N 1 0 368.472 2.919 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCOC(C)(C)C)[NH+](C)C)cc1 ZINC001471543763 1064711427 /nfs/dbraw/zinc/71/14/27/1064711427.db2.gz JBNVTVQTLLOUDP-GOSISDBHSA-N 1 0 364.534 2.812 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001546188412 1064759251 /nfs/dbraw/zinc/75/92/51/1064759251.db2.gz ZGJOSYHQVRIUNJ-KRWDZBQOSA-N 1 0 359.514 2.901 20 10 FFCDRO O=C1N(CC[NH2+]Cc2c(O)cccc2Br)C[C@H]2CCCCN12 ZINC001474637163 1065567909 /nfs/dbraw/zinc/56/79/09/1065567909.db2.gz XNCCFZXTZXSNQS-GFCCVEGCSA-N 1 0 368.275 2.534 20 10 FFCDRO CCc1nnc(N2CC[C@H]([C@H](C)[NH3+])C2)n1CCCSc1nccs1 ZINC001578308869 1078461844 /nfs/dbraw/zinc/46/18/44/1078461844.db2.gz SDYGFDUBNLEVBN-STQMWFEESA-N 1 0 366.560 2.653 20 10 FFCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001578943072 1078551817 /nfs/dbraw/zinc/55/18/17/1078551817.db2.gz MQCCUNFFOAFNTR-CTNGQTDRSA-N 1 0 355.482 2.786 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001579617283 1078650971 /nfs/dbraw/zinc/65/09/71/1078650971.db2.gz NMWQWMJZVIDMDN-APHBMKBZSA-N 1 0 372.435 2.523 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC001560255876 1076257012 /nfs/dbraw/zinc/25/70/12/1076257012.db2.gz NWHGTPNUJQSCDV-UHFFFAOYSA-N 1 0 354.450 2.627 20 10 FFCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCCO1 ZINC001564991411 1076676354 /nfs/dbraw/zinc/67/63/54/1076676354.db2.gz RAZTUNMDVURGBA-PMACEKPBSA-N 1 0 374.529 2.585 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001587547125 1079811591 /nfs/dbraw/zinc/81/15/91/1079811591.db2.gz DYQZBKFNQFLPIX-KRWDZBQOSA-N 1 0 351.410 2.853 20 10 FFCDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000066951466 506709820 /nfs/dbraw/zinc/70/98/20/506709820.db2.gz OMQZQABLVXSFFV-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2sccn21 ZINC000070976268 507673440 /nfs/dbraw/zinc/67/34/40/507673440.db2.gz WVKDIBJCVOZBDH-MRXNPFEDSA-N 1 0 371.462 2.643 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373511876 512370642 /nfs/dbraw/zinc/37/06/42/512370642.db2.gz DGUWDBKZVRLMDW-FQEVSTJZSA-N 1 0 354.381 2.830 20 10 FFCDRO Cc1cc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000109761464 507985851 /nfs/dbraw/zinc/98/58/51/507985851.db2.gz MXZXUUDMKKXRGG-MRXNPFEDSA-N 1 0 359.426 2.698 20 10 FFCDRO CCCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000093646992 508150488 /nfs/dbraw/zinc/15/04/88/508150488.db2.gz WGUFSHJIPXPNKC-WMZOPIPTSA-N 1 0 355.500 2.969 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000076491192 508213352 /nfs/dbraw/zinc/21/33/52/508213352.db2.gz FVNJIFGZMIGSBL-MOQSFERRSA-N 1 0 371.525 2.725 20 10 FFCDRO Cn1ncc2c1ncnc2N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000119615411 508829541 /nfs/dbraw/zinc/82/95/41/508829541.db2.gz UJOGJKXTBKSOMZ-UHFFFAOYSA-N 1 0 374.448 2.544 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000160361120 508976069 /nfs/dbraw/zinc/97/60/69/508976069.db2.gz JNSZISRCESYBCQ-GOSISDBHSA-N 1 0 372.557 2.880 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2=O)cc1 ZINC000186050117 509499439 /nfs/dbraw/zinc/49/94/39/509499439.db2.gz IUFFBJCENFDROQ-KUHUBIRLSA-N 1 0 370.449 2.861 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000237235722 509600511 /nfs/dbraw/zinc/60/05/11/509600511.db2.gz MFUKDYNBFVEVLQ-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)c(OC)c1 ZINC000237433721 509646548 /nfs/dbraw/zinc/64/65/48/509646548.db2.gz FEHQAGNNXGRLNU-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CC[NH+](CC)CCCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264928904 509779458 /nfs/dbraw/zinc/77/94/58/509779458.db2.gz RTAYCAWZKZHGAW-FMIVXFBMSA-N 1 0 359.514 2.775 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268162708 509789794 /nfs/dbraw/zinc/78/97/94/509789794.db2.gz PAEHSYIHIBVLHX-MNEFBYGVSA-N 1 0 373.497 2.566 20 10 FFCDRO CCOCCCN1CC[C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000187009143 510003281 /nfs/dbraw/zinc/00/32/81/510003281.db2.gz BHFVRXAZGJFPNX-KUHUBIRLSA-N 1 0 366.477 2.961 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000177522847 510112578 /nfs/dbraw/zinc/11/25/78/510112578.db2.gz MQSYTWVRQWZMOF-QYLKWSRPSA-N 1 0 357.498 2.525 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3csc(C)n3)CC2)cc1 ZINC000269384911 510376243 /nfs/dbraw/zinc/37/62/43/510376243.db2.gz ARCMSXCWIHYNQR-OAHLLOKOSA-N 1 0 360.527 2.933 20 10 FFCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000269916958 510596597 /nfs/dbraw/zinc/59/65/97/510596597.db2.gz JTCFIYDTXPAYBM-NVXWUHKLSA-N 1 0 366.255 2.729 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185322932 510806492 /nfs/dbraw/zinc/80/64/92/510806492.db2.gz MCJFAHCQJZYVID-VXGBXAGGSA-N 1 0 352.431 2.851 20 10 FFCDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1O ZINC000185349400 510817998 /nfs/dbraw/zinc/81/79/98/510817998.db2.gz XZMPUEBMLBNFAZ-APWZRJJASA-N 1 0 354.450 2.513 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282262710 510905959 /nfs/dbraw/zinc/90/59/59/510905959.db2.gz QZFUWBZJFUVRKQ-NRFANRHFSA-N 1 0 373.541 2.756 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCOCC1 ZINC000276930683 510949329 /nfs/dbraw/zinc/94/93/29/510949329.db2.gz AEWJUVIKRUIRLL-HOTGVXAUSA-N 1 0 366.477 2.725 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278220019 510985361 /nfs/dbraw/zinc/98/53/61/510985361.db2.gz SBBWPVJSJAKBBN-UHFFFAOYSA-N 1 0 354.498 2.736 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)cc2)CC1 ZINC000297543444 510985670 /nfs/dbraw/zinc/98/56/70/510985670.db2.gz QFIKLJKVSNJGMV-HXUWFJFHSA-N 1 0 357.498 2.545 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1OC ZINC000288451769 511075183 /nfs/dbraw/zinc/07/51/83/511075183.db2.gz FTRGIIFZSFRSQH-JSGCOSHPSA-N 1 0 366.458 2.897 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(O)c1 ZINC000294472070 511075270 /nfs/dbraw/zinc/07/52/70/511075270.db2.gz WSLQWAJUNDQQFM-HNNXBMFYSA-N 1 0 363.479 2.626 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282744700 511095364 /nfs/dbraw/zinc/09/53/64/511095364.db2.gz RYMXEOSBHFVMFH-UHFFFAOYSA-N 1 0 363.479 2.538 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)c1O ZINC000362039688 511121380 /nfs/dbraw/zinc/12/13/80/511121380.db2.gz OFPXKPJYWBQECO-HNNXBMFYSA-N 1 0 359.857 2.821 20 10 FFCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000290226386 511130230 /nfs/dbraw/zinc/13/02/30/511130230.db2.gz SJZNRQXTRCFOIR-UHFFFAOYSA-N 1 0 352.422 2.684 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000294912137 511218966 /nfs/dbraw/zinc/21/89/66/511218966.db2.gz WPDVMLXNKCSPCW-UONOGXRCSA-N 1 0 369.508 2.556 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271621741 511266351 /nfs/dbraw/zinc/26/63/51/511266351.db2.gz BSENAYGDDBBOPB-NVXWUHKLSA-N 1 0 364.461 2.999 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]1SC ZINC000298444273 511287496 /nfs/dbraw/zinc/28/74/96/511287496.db2.gz NQDULMQQSJQYIB-BHIYHBOVSA-N 1 0 368.518 2.785 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291686563 511297990 /nfs/dbraw/zinc/29/79/90/511297990.db2.gz XROBUAJIEIVHFV-LBPRGKRZSA-N 1 0 360.376 2.681 20 10 FFCDRO CC(C)(C)[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000299094250 511512461 /nfs/dbraw/zinc/51/24/61/511512461.db2.gz IASPPYSRPFLNJM-UHFFFAOYSA-N 1 0 374.529 2.585 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000273622780 511553869 /nfs/dbraw/zinc/55/38/69/511553869.db2.gz ZPHNJDUOLRIHSZ-OAHLLOKOSA-N 1 0 372.465 2.970 20 10 FFCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280927770 511656206 /nfs/dbraw/zinc/65/62/06/511656206.db2.gz FCSDARSSARGGTC-LFPIHBKWSA-N 1 0 354.491 2.614 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272358 511680520 /nfs/dbraw/zinc/68/05/20/511680520.db2.gz DRCAUXREHWIUGH-FNODVLLQSA-N 1 0 373.902 2.883 20 10 FFCDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000365843360 511681673 /nfs/dbraw/zinc/68/16/73/511681673.db2.gz ZZHXZRMAUPWSRS-UHFFFAOYSA-N 1 0 364.833 2.720 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000292815988 511731076 /nfs/dbraw/zinc/73/10/76/511731076.db2.gz PIFLUEMMBZOWMQ-CYBMUJFWSA-N 1 0 361.373 2.817 20 10 FFCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(CO)c1 ZINC000366000158 511776854 /nfs/dbraw/zinc/77/68/54/511776854.db2.gz JYYLPTZPRHHOPK-SFHVURJKSA-N 1 0 374.868 2.932 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000366321592 511958332 /nfs/dbraw/zinc/95/83/32/511958332.db2.gz WTATTZKAQZRJLI-IEBWSBKVSA-N 1 0 373.428 2.785 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000285251545 512052453 /nfs/dbraw/zinc/05/24/53/512052453.db2.gz PZOVQTMQDQLLRV-BLLLJJGKSA-N 1 0 357.376 2.843 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(O)c1 ZINC000285251548 512052488 /nfs/dbraw/zinc/05/24/88/512052488.db2.gz PZOVQTMQDQLLRV-WBMJQRKESA-N 1 0 357.376 2.843 20 10 FFCDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000375751411 512486262 /nfs/dbraw/zinc/48/62/62/512486262.db2.gz ROXJZLRSHRFVRS-UHFFFAOYSA-N 1 0 359.857 2.997 20 10 FFCDRO OC1(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOCC1 ZINC000367527306 512543276 /nfs/dbraw/zinc/54/32/76/512543276.db2.gz ZJRTYWJBNQAHCE-UHFFFAOYSA-N 1 0 352.478 2.880 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000472014546 515085585 /nfs/dbraw/zinc/08/55/85/515085585.db2.gz WFTYOPBJBIQROI-IBGZPJMESA-N 1 0 360.527 2.723 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000473269844 515558802 /nfs/dbraw/zinc/55/88/02/515558802.db2.gz COXOZBCGWHTREZ-LJQANCHMSA-N 1 0 355.482 2.746 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc4[nH]ccc43)CC1)[C@H](O)CO2 ZINC000530107840 517572135 /nfs/dbraw/zinc/57/21/35/517572135.db2.gz IQWQFOAAFFAWAS-HXUWFJFHSA-N 1 0 365.433 2.622 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000527946477 518005397 /nfs/dbraw/zinc/00/53/97/518005397.db2.gz DTLQPZURRNOTOZ-AUUYWEPGSA-N 1 0 368.905 2.620 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC000824010734 608492798 /nfs/dbraw/zinc/49/27/98/608492798.db2.gz RRBMJOSYAGMDSF-JTQLQIEISA-N 1 0 355.373 2.765 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H]1CCCO1 ZINC000826511123 608499279 /nfs/dbraw/zinc/49/92/79/608499279.db2.gz CQJZWJUIGQDHJS-OAHLLOKOSA-N 1 0 371.466 2.815 20 10 FFCDRO CN(C)Cc1cnc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000898450319 735361918 /nfs/dbraw/zinc/36/19/18/735361918.db2.gz QDKDQGMSUYJMGU-SFHVURJKSA-N 1 0 361.559 2.663 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000745812228 735445651 /nfs/dbraw/zinc/44/56/51/735445651.db2.gz ROKAIJOZHOXLJO-HOCLYGCPSA-N 1 0 350.482 2.954 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](CC)CC2)cc1F ZINC000066976174 728179569 /nfs/dbraw/zinc/17/95/69/728179569.db2.gz PWCFZJRAPQIPJK-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO CSCCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092010764 728464159 /nfs/dbraw/zinc/46/41/59/728464159.db2.gz ILRWZTRZYIQJQB-UHFFFAOYSA-N 1 0 361.555 2.978 20 10 FFCDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000121207981 728622056 /nfs/dbraw/zinc/62/20/56/728622056.db2.gz XLSJDOUQQTYYPE-DOTOQJQBSA-N 1 0 352.450 2.509 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1Cl ZINC000121878923 728640948 /nfs/dbraw/zinc/64/09/48/728640948.db2.gz JYIKZYUFPOZDHJ-UHFFFAOYSA-N 1 0 353.894 2.774 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000125521438 728684550 /nfs/dbraw/zinc/68/45/50/728684550.db2.gz MDUFYDKCAXBFGN-KXBFYZLASA-N 1 0 368.905 2.616 20 10 FFCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000126426821 728702012 /nfs/dbraw/zinc/70/20/12/728702012.db2.gz GQAVQFFSPKMOMX-GJZGRUSLSA-N 1 0 365.905 2.838 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(C)cc(C)c2O)cc1 ZINC000164425269 728966080 /nfs/dbraw/zinc/96/60/80/728966080.db2.gz GKQSDNNPMIUXHE-UHFFFAOYSA-N 1 0 362.495 2.728 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000177348467 729134370 /nfs/dbraw/zinc/13/43/70/729134370.db2.gz MNPSEHLAJVWHOE-INIZCTEOSA-N 1 0 352.862 2.545 20 10 FFCDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834196 729171235 /nfs/dbraw/zinc/17/12/35/729171235.db2.gz YUNWPNDBMBUYKQ-BBRMVZONSA-N 1 0 355.429 2.746 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182307471 729274413 /nfs/dbraw/zinc/27/44/13/729274413.db2.gz ISKWOVRLACVJON-QGZVFWFLSA-N 1 0 352.500 2.527 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000187792888 729381371 /nfs/dbraw/zinc/38/13/71/729381371.db2.gz CSZYSJVGGBBMHW-LJQANCHMSA-N 1 0 350.528 2.771 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1O ZINC000779050253 738432145 /nfs/dbraw/zinc/43/21/45/738432145.db2.gz NPDNQSHLWIGHRN-ABAIWWIYSA-N 1 0 358.276 2.901 20 10 FFCDRO C[C@@H]1CN(CCC[NH2+]Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000858090632 730416296 /nfs/dbraw/zinc/41/62/96/730416296.db2.gz PHIRRFKJQIOSCB-BETUJISGSA-N 1 0 357.292 2.744 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000858165734 730418460 /nfs/dbraw/zinc/41/84/60/730418460.db2.gz YWMKINGKXOXFMT-BJJXKVORSA-N 1 0 367.287 2.891 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1O ZINC000858565491 730428930 /nfs/dbraw/zinc/42/89/30/730428930.db2.gz QSAQYUWUJCJKLH-RHSMWYFYSA-N 1 0 361.873 2.992 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1F ZINC000862217363 730677194 /nfs/dbraw/zinc/67/71/94/730677194.db2.gz BHUUCLVGGYTYGQ-INIZCTEOSA-N 1 0 353.457 2.718 20 10 FFCDRO C[N@H+](Cc1c(O)cccc1Br)CC(C)(C)CN1CCOCC1 ZINC000862249718 730681897 /nfs/dbraw/zinc/68/18/97/730681897.db2.gz AHLVMDNWRODHIC-UHFFFAOYSA-N 1 0 371.319 2.945 20 10 FFCDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2c(O)cccc2Br)CN1 ZINC000862253058 730682640 /nfs/dbraw/zinc/68/26/40/730682640.db2.gz KPYHHMLHQAEWJS-BXUZGUMPSA-N 1 0 353.260 2.645 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000862331829 730689050 /nfs/dbraw/zinc/68/90/50/730689050.db2.gz ATIWBBUTVOYVRG-JTQLQIEISA-N 1 0 365.346 2.531 20 10 FFCDRO O=C(C1CC1)N1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862334545 730689582 /nfs/dbraw/zinc/68/95/82/730689582.db2.gz PRGSZYSUSSGHBG-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862368408 730693009 /nfs/dbraw/zinc/69/30/09/730693009.db2.gz HETDUFGOVSMTGJ-ZDUSSCGKSA-N 1 0 355.276 2.893 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862419254 730699771 /nfs/dbraw/zinc/69/97/71/730699771.db2.gz XCWGWSCRRFQMGT-UHFFFAOYSA-N 1 0 355.232 2.571 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000863832080 730811479 /nfs/dbraw/zinc/81/14/79/730811479.db2.gz UHFQWIRCFHXYEN-KRWDZBQOSA-N 1 0 361.873 2.544 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865682914 730985262 /nfs/dbraw/zinc/98/52/62/730985262.db2.gz SHDVTTPWQRMCPS-LLVKDONJSA-N 1 0 365.153 2.639 20 10 FFCDRO O=C(CCC1(O)CCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866764645 731096771 /nfs/dbraw/zinc/09/67/71/731096771.db2.gz PMYFTWGZDUCEEE-INIZCTEOSA-N 1 0 366.889 2.821 20 10 FFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000773610249 737923835 /nfs/dbraw/zinc/92/38/35/737923835.db2.gz HBMQIDINCJWXQL-LBPRGKRZSA-N 1 0 370.877 2.714 20 10 FFCDRO COc1nsc(C[NH2+]Cc2ccc(OC)cc2O)c1Br ZINC000877494154 732372583 /nfs/dbraw/zinc/37/25/83/732372583.db2.gz UGGNTMOLHDKUAC-UHFFFAOYSA-N 1 0 359.245 2.918 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cccn(C(F)F)c2=O)cc1 ZINC000877609746 732398484 /nfs/dbraw/zinc/39/84/84/732398484.db2.gz HXDCTOWCASABGR-UHFFFAOYSA-N 1 0 351.397 2.820 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1O ZINC000878872124 732607082 /nfs/dbraw/zinc/60/70/82/732607082.db2.gz ACCBDFLQMSXTFI-WMZOPIPTSA-N 1 0 351.418 2.534 20 10 FFCDRO Cc1[nH+]ccc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1Cl ZINC000884693536 733550316 /nfs/dbraw/zinc/55/03/16/733550316.db2.gz DACKAEDNRPBLAS-UHFFFAOYSA-N 1 0 358.873 2.779 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000886670628 733814770 /nfs/dbraw/zinc/81/47/70/733814770.db2.gz SSRJHVQWIUMZTQ-UHTWSYAYSA-N 1 0 374.275 2.744 20 10 FFCDRO CC[N@H+](Cc1cnc2n1CCOC2)Cc1cc(Br)ccc1O ZINC000892195290 734527316 /nfs/dbraw/zinc/52/73/16/734527316.db2.gz OPOTYPNNBPRHFA-UHFFFAOYSA-N 1 0 366.259 2.904 20 10 FFCDRO COc1ccc(C[NH2+]CC2(N3CCSCC3)CCCC2)c(O)c1OC ZINC000892562543 734573367 /nfs/dbraw/zinc/57/33/67/734573367.db2.gz GUNRWVQOPGPKFP-UHFFFAOYSA-N 1 0 366.527 2.861 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1O ZINC000894148583 734809078 /nfs/dbraw/zinc/80/90/78/734809078.db2.gz AFYQCENCKRZHCN-MRXNPFEDSA-N 1 0 362.495 2.934 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894432881 734857142 /nfs/dbraw/zinc/85/71/42/734857142.db2.gz VXBWDUCKYIFLPJ-OLZOCXBDSA-N 1 0 360.223 2.878 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c(O)c1OC ZINC000894760780 734912199 /nfs/dbraw/zinc/91/21/99/734912199.db2.gz MKOAIVSVDMKMGM-GFCCVEGCSA-N 1 0 362.392 2.725 20 10 FFCDRO CN1CC[C@@H]([N@H+](C)Cc2c(O)ccc3cc(Br)ccc32)C1=O ZINC000738269908 735026831 /nfs/dbraw/zinc/02/68/31/735026831.db2.gz BWWNKUUUEREAPU-OAHLLOKOSA-N 1 0 363.255 2.970 20 10 FFCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000740856129 735092303 /nfs/dbraw/zinc/09/23/03/735092303.db2.gz NQPZBJZXTCACER-CQSZACIVSA-N 1 0 353.484 2.876 20 10 FFCDRO COC(=O)c1cnc(CC[NH2+]Cc2ccc(Br)cc2O)s1 ZINC000896929321 735188551 /nfs/dbraw/zinc/18/85/51/735188551.db2.gz BXHKJZMENFKJOT-UHFFFAOYSA-N 1 0 371.256 2.730 20 10 FFCDRO OCc1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000742371164 735234786 /nfs/dbraw/zinc/23/47/86/735234786.db2.gz IWOBHUDDBOCXKN-OAHLLOKOSA-N 1 0 350.846 2.885 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000897744374 735272239 /nfs/dbraw/zinc/27/22/39/735272239.db2.gz ZOZYXGPTPFTLIM-GFCCVEGCSA-N 1 0 371.861 2.892 20 10 FFCDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000749972293 735764352 /nfs/dbraw/zinc/76/43/52/735764352.db2.gz NBMDRKRSTOJUNB-CYBMUJFWSA-N 1 0 350.415 2.562 20 10 FFCDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000750837628 735819165 /nfs/dbraw/zinc/81/91/65/735819165.db2.gz LPYHROHPSNOUEO-QGZVFWFLSA-N 1 0 352.450 2.667 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000903188146 736051546 /nfs/dbraw/zinc/05/15/46/736051546.db2.gz APFZNPHPKJPOCE-CYBMUJFWSA-N 1 0 370.515 2.692 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)c1 ZINC000903188147 736051785 /nfs/dbraw/zinc/05/17/85/736051785.db2.gz APFZNPHPKJPOCE-ZDUSSCGKSA-N 1 0 370.515 2.692 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000903236045 736063672 /nfs/dbraw/zinc/06/36/72/736063672.db2.gz YDKWUCDFKZHYCD-CYBMUJFWSA-N 1 0 364.467 2.550 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN4CCSC[C@@H]34)CC2)cc1 ZINC000903270921 736069976 /nfs/dbraw/zinc/06/99/76/736069976.db2.gz IYDRXSHOZNOTHP-UXHICEINSA-N 1 0 361.555 2.833 20 10 FFCDRO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccccc1O ZINC000903324735 736075983 /nfs/dbraw/zinc/07/59/83/736075983.db2.gz JGVSNHMEPAXFCJ-RNCFNFMXSA-N 1 0 362.227 2.764 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756410146 736328797 /nfs/dbraw/zinc/32/87/97/736328797.db2.gz DMBJVKIEDDXQSE-HNNXBMFYSA-N 1 0 354.516 2.864 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756445208 736331652 /nfs/dbraw/zinc/33/16/52/736331652.db2.gz LJOHZSNLTUSQNC-HNNXBMFYSA-N 1 0 362.495 2.909 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000756447777 736332308 /nfs/dbraw/zinc/33/23/08/736332308.db2.gz YKIKIDDVBMJMPD-GFCCVEGCSA-N 1 0 368.886 2.946 20 10 FFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551691 736341889 /nfs/dbraw/zinc/34/18/89/736341889.db2.gz WMPKBGGYFRDXBY-VXGBXAGGSA-N 1 0 374.312 2.937 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000760019134 736610622 /nfs/dbraw/zinc/61/06/22/736610622.db2.gz UDCNRRQRCJWTTC-HNNXBMFYSA-N 1 0 363.479 2.972 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000761200877 736706633 /nfs/dbraw/zinc/70/66/33/736706633.db2.gz YPNPSDCZBHUYNL-CYBMUJFWSA-N 1 0 352.862 2.889 20 10 FFCDRO C[C@H](CNC(=O)NCc1cccc(Br)c1O)[NH+]1CCCCC1 ZINC000764790957 737050076 /nfs/dbraw/zinc/05/00/76/737050076.db2.gz LCCQSKZLAYZGGL-GFCCVEGCSA-N 1 0 370.291 2.828 20 10 FFCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765332676 737109506 /nfs/dbraw/zinc/10/95/06/737109506.db2.gz JFOQYHZTFILHHH-AWEZNQCLSA-N 1 0 353.894 2.696 20 10 FFCDRO C[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765906449 737171562 /nfs/dbraw/zinc/17/15/62/737171562.db2.gz DXGRSVSKERPBDQ-CRICUBBOSA-N 1 0 358.507 2.982 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)cc1 ZINC000768287109 737411238 /nfs/dbraw/zinc/41/12/38/737411238.db2.gz OOPJANYHRAIFRR-UHFFFAOYSA-N 1 0 358.511 2.799 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000769528702 737539735 /nfs/dbraw/zinc/53/97/35/737539735.db2.gz XUBQQEMJJNHGHH-OAHLLOKOSA-N 1 0 356.260 2.925 20 10 FFCDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)cc1C ZINC000771975744 737771997 /nfs/dbraw/zinc/77/19/97/737771997.db2.gz AHLBVOJANIAXBX-UHFFFAOYSA-N 1 0 368.524 2.750 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000774383494 737985353 /nfs/dbraw/zinc/98/53/53/737985353.db2.gz LDPZOLGKMISDBH-CYBMUJFWSA-N 1 0 369.303 2.979 20 10 FFCDRO CC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775552917 738101072 /nfs/dbraw/zinc/10/10/72/738101072.db2.gz YYYIWEYFRPBFDK-LSDHHAIUSA-N 1 0 358.276 2.983 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[C@H](C(F)(F)F)O3)cc2)CC1 ZINC000922455581 738148229 /nfs/dbraw/zinc/14/82/29/738148229.db2.gz OXZZVRSCHLNTRB-DLBZAZTESA-N 1 0 358.404 2.847 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000776014067 738152083 /nfs/dbraw/zinc/15/20/83/738152083.db2.gz QKRVXNLGKDIBFA-KBPBESRZSA-N 1 0 372.259 2.697 20 10 FFCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000777565413 738301194 /nfs/dbraw/zinc/30/11/94/738301194.db2.gz TZLCRZFZZYCHCO-CQSZACIVSA-N 1 0 356.388 2.771 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OC)cc1O)CC(C)C ZINC000792805330 739708591 /nfs/dbraw/zinc/70/85/91/739708591.db2.gz FPVHZOFCBMPNHC-INIZCTEOSA-N 1 0 351.491 2.957 20 10 FFCDRO O=C(CCC(F)F)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793760509 739810839 /nfs/dbraw/zinc/81/08/39/739810839.db2.gz OCFVEVAIWVSHIU-UHFFFAOYSA-N 1 0 351.441 2.880 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)c1O ZINC000794716186 739923274 /nfs/dbraw/zinc/92/32/74/739923274.db2.gz BWGPNEDGOLSAPM-PIGZYNQJSA-N 1 0 360.841 2.995 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000800971834 740574048 /nfs/dbraw/zinc/57/40/48/740574048.db2.gz VRCVFRVPUXGAKQ-PKOBYXMFSA-N 1 0 368.518 2.929 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)cc1C ZINC000801734848 740646490 /nfs/dbraw/zinc/64/64/90/740646490.db2.gz KITAKTVJVFGQGX-INIZCTEOSA-N 1 0 362.495 2.850 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805183927 740948154 /nfs/dbraw/zinc/94/81/54/740948154.db2.gz HUFOJGKQDXPTKN-NSHDSACASA-N 1 0 358.280 2.684 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C[N@@H+]1C1CC1 ZINC000805191009 740948568 /nfs/dbraw/zinc/94/85/68/740948568.db2.gz NNKCPVFHVCATLH-GWCFXTLKSA-N 1 0 368.275 2.579 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1O ZINC000808696393 741252993 /nfs/dbraw/zinc/25/29/93/741252993.db2.gz VNEAWNOESQECEX-CQSZACIVSA-N 1 0 367.921 2.947 20 10 FFCDRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809708035 741334675 /nfs/dbraw/zinc/33/46/75/741334675.db2.gz WEDWXBHVTMIULQ-HOTGVXAUSA-N 1 0 368.861 2.915 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000811519320 741533186 /nfs/dbraw/zinc/53/31/86/741533186.db2.gz YPDXGYXJNHWANQ-UHFFFAOYSA-N 1 0 361.511 2.812 20 10 FFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000811864437 741568879 /nfs/dbraw/zinc/56/88/79/741568879.db2.gz ABPFOHJBFSJDRE-MRXNPFEDSA-N 1 0 364.559 2.768 20 10 FFCDRO CCn1ccnc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000813488744 741724822 /nfs/dbraw/zinc/72/48/22/741724822.db2.gz DPYMCBCEYYPXAJ-HNNXBMFYSA-N 1 0 362.861 2.656 20 10 FFCDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997216 742227334 /nfs/dbraw/zinc/22/73/34/742227334.db2.gz WRUKXAUOLPPMLB-MRXNPFEDSA-N 1 0 358.511 2.872 20 10 FFCDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997215 742227359 /nfs/dbraw/zinc/22/73/59/742227359.db2.gz WRUKXAUOLPPMLB-INIZCTEOSA-N 1 0 358.511 2.872 20 10 FFCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997908 742228024 /nfs/dbraw/zinc/22/80/24/742228024.db2.gz ZZBHHWZPNFAVOP-DYVFJYSZSA-N 1 0 358.511 2.728 20 10 FFCDRO CC(C)OC[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002448 742323435 /nfs/dbraw/zinc/32/34/35/742323435.db2.gz MJEPEDQZQBLCMP-MRXNPFEDSA-N 1 0 358.429 2.632 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000819241435 742359294 /nfs/dbraw/zinc/35/92/94/742359294.db2.gz CILVUGDPDHUJAZ-PBHICJAKSA-N 1 0 351.491 2.631 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)C12CCC[NH+](CCC1)C2 ZINC000822459060 742736830 /nfs/dbraw/zinc/73/68/30/742736830.db2.gz OLHYSIBQRABXJF-UHFFFAOYSA-N 1 0 353.260 2.647 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000822654731 742764790 /nfs/dbraw/zinc/76/47/90/742764790.db2.gz PQIPHAWLGFMKEN-MRXNPFEDSA-N 1 0 352.475 2.832 20 10 FFCDRO CCC[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824521069 743098460 /nfs/dbraw/zinc/09/84/60/743098460.db2.gz BKJUSTYFGKRKKJ-CYBMUJFWSA-N 1 0 362.289 2.554 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824556435 743104194 /nfs/dbraw/zinc/10/41/94/743104194.db2.gz TZEAFRCQLVKNGB-UHFFFAOYSA-N 1 0 360.907 2.648 20 10 FFCDRO CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1O ZINC000824627674 743118749 /nfs/dbraw/zinc/11/87/49/743118749.db2.gz SAPOUDLCLFOLHQ-AWEZNQCLSA-N 1 0 355.276 2.988 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000825045519 743200249 /nfs/dbraw/zinc/20/02/49/743200249.db2.gz FXYPMVGUEWIPSX-UKRRQHHQSA-N 1 0 351.834 2.798 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000825126420 743215581 /nfs/dbraw/zinc/21/55/81/743215581.db2.gz QKYMPPCEQSZFKR-CQSZACIVSA-N 1 0 363.259 2.703 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825290893 743243304 /nfs/dbraw/zinc/24/33/04/743243304.db2.gz AMAMDKREZXJDSH-OLZOCXBDSA-N 1 0 362.289 2.600 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000825703757 743314454 /nfs/dbraw/zinc/31/44/54/743314454.db2.gz DUGMQDHXWKBRKQ-OAHLLOKOSA-N 1 0 366.259 2.823 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000825779275 743325864 /nfs/dbraw/zinc/32/58/64/743325864.db2.gz IZPHJCBVDAPNTM-AWEZNQCLSA-N 1 0 369.303 2.699 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000826029370 743358337 /nfs/dbraw/zinc/35/83/37/743358337.db2.gz FBNRXPLKJVYTJT-HNNXBMFYSA-N 1 0 354.219 2.987 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000827133388 743515633 /nfs/dbraw/zinc/51/56/33/743515633.db2.gz UJIDWLZIUHHEFP-CJNGLKHVSA-N 1 0 355.404 2.872 20 10 FFCDRO COc1cc(Cl)cc(C[N@H+](CCN2CCOCC2)CC2CC2)c1O ZINC000827519832 743592876 /nfs/dbraw/zinc/59/28/76/743592876.db2.gz VDNBSEMPPVRAAA-UHFFFAOYSA-N 1 0 354.878 2.598 20 10 FFCDRO O=C(CSC(F)F)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000827686298 744960715 /nfs/dbraw/zinc/96/07/15/744960715.db2.gz XPRAZSMLKZWCTE-UHFFFAOYSA-N 1 0 369.481 2.791 20 10 FFCDRO [NH3+][C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC1 ZINC000828359521 745059339 /nfs/dbraw/zinc/05/93/39/745059339.db2.gz XIMZKYXXIPPFLM-MRXNPFEDSA-N 1 0 353.413 2.500 20 10 FFCDRO C[NH+](C)CC1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000830356187 745342093 /nfs/dbraw/zinc/34/20/93/745342093.db2.gz VTAWWAKUYRNHDX-UHFFFAOYSA-N 1 0 358.511 2.730 20 10 FFCDRO Cc1oc(Br)cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267489 745668915 /nfs/dbraw/zinc/66/89/15/745668915.db2.gz TXYKJKFIXVYONJ-AWEZNQCLSA-N 1 0 366.259 2.846 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000834850813 745913845 /nfs/dbraw/zinc/91/38/45/745913845.db2.gz PYJFIUMESAZHMG-HIFRSBDPSA-N 1 0 371.319 2.961 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834879074 745917618 /nfs/dbraw/zinc/91/76/18/745917618.db2.gz PPCLNFHZFBEVKX-WBVHZDCISA-N 1 0 353.532 2.655 20 10 FFCDRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1O ZINC000834894151 745921825 /nfs/dbraw/zinc/92/18/25/745921825.db2.gz ZOYQJIZXOWISNA-FPMFFAJLSA-N 1 0 355.276 2.669 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1OC ZINC000835070996 745944539 /nfs/dbraw/zinc/94/45/39/745944539.db2.gz UCSGKPONJWFJBS-IBGZPJMESA-N 1 0 351.443 2.963 20 10 FFCDRO CN1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1=O ZINC000838922319 746737547 /nfs/dbraw/zinc/73/75/47/746737547.db2.gz QPDSXFVXRYJEEV-AWEZNQCLSA-N 1 0 366.303 2.760 20 10 FFCDRO Brc1cc(C[NH2+]C2COCCOC2)ccc1N1CCCCC1 ZINC000839111034 746777292 /nfs/dbraw/zinc/77/72/92/746777292.db2.gz SZSMHORIFNIAQF-UHFFFAOYSA-N 1 0 369.303 2.944 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000839148833 746788932 /nfs/dbraw/zinc/78/89/32/746788932.db2.gz MSXNREPYFLIABF-UHFFFAOYSA-N 1 0 368.886 2.942 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000841798998 747463651 /nfs/dbraw/zinc/46/36/51/747463651.db2.gz OMIYKOHMAIBGAI-RDJZCZTQSA-N 1 0 350.482 2.941 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000842784973 747687253 /nfs/dbraw/zinc/68/72/53/747687253.db2.gz JFHGFPFCKOLCGC-INIZCTEOSA-N 1 0 369.437 2.669 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H](CC[NH3+])C(F)F)c2C)cc1 ZINC000843483642 747843506 /nfs/dbraw/zinc/84/35/06/747843506.db2.gz ISRGYJAEJBRVAA-MRXNPFEDSA-N 1 0 351.397 2.815 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000846146383 748415194 /nfs/dbraw/zinc/41/51/94/748415194.db2.gz RNPZAYUPMZGINN-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000846209416 748431171 /nfs/dbraw/zinc/43/11/71/748431171.db2.gz RCYYJQCWAPGVOJ-NWDGAFQWSA-N 1 0 355.276 2.982 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000846232243 748436044 /nfs/dbraw/zinc/43/60/44/748436044.db2.gz WEVNHYDTMQOFLD-QGZVFWFLSA-N 1 0 367.902 2.525 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847337086 748679532 /nfs/dbraw/zinc/67/95/32/748679532.db2.gz VSANJVXXLSYMKE-UONOGXRCSA-N 1 0 354.545 2.941 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000848532794 748951878 /nfs/dbraw/zinc/95/18/78/748951878.db2.gz ASXIWZSMMVOAGS-SNVBAGLBSA-N 1 0 371.275 2.873 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000848532800 748952239 /nfs/dbraw/zinc/95/22/39/748952239.db2.gz BAIAPJKNNALODF-GXFFZTMASA-N 1 0 371.275 2.823 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1O ZINC000848533885 748952948 /nfs/dbraw/zinc/95/29/48/748952948.db2.gz WMXMQDZUIDCDRV-BZNIZROVSA-N 1 0 374.275 2.603 20 10 FFCDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1=O ZINC000848555637 748959305 /nfs/dbraw/zinc/95/93/05/748959305.db2.gz CEDIAHPTDDJULJ-MNOVXSKESA-N 1 0 371.275 2.682 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848562475 748961646 /nfs/dbraw/zinc/96/16/46/748961646.db2.gz DQFLJXXHPHCEHN-DGCLKSJQSA-N 1 0 365.275 2.881 20 10 FFCDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355835 749351239 /nfs/dbraw/zinc/35/12/39/749351239.db2.gz LFIPQSBKHCLRIW-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO COC[C@@H](CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000850487294 749372345 /nfs/dbraw/zinc/37/23/45/749372345.db2.gz YXQQYMQMAPZAJP-CMPLNLGQSA-N 1 0 362.264 2.865 20 10 FFCDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000850487020 749372408 /nfs/dbraw/zinc/37/24/08/749372408.db2.gz XQBXQBDGGMXACR-GDBMZVCRSA-N 1 0 356.894 2.879 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)CC1 ZINC000850507470 749378040 /nfs/dbraw/zinc/37/80/40/749378040.db2.gz OHADQUVLVBOMAX-WOJBJXKFSA-N 1 0 362.539 2.980 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000850587197 749390700 /nfs/dbraw/zinc/39/07/00/749390700.db2.gz RPPNPPBCCCEIGK-QGZVFWFLSA-N 1 0 367.902 2.525 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000852760864 749946935 /nfs/dbraw/zinc/94/69/35/749946935.db2.gz NRZFZVVBBKDFNO-INIZCTEOSA-N 1 0 354.878 2.791 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852850484 749964890 /nfs/dbraw/zinc/96/48/90/749964890.db2.gz FWRXULZQQSYCQG-CQSZACIVSA-N 1 0 355.276 2.891 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)NC(=O)OC(C)(C)C ZINC000853521420 750082227 /nfs/dbraw/zinc/08/22/27/750082227.db2.gz BHSNFAOCABKIGS-UHFFFAOYSA-N 1 0 352.431 2.856 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000840301241 971020093 /nfs/dbraw/zinc/02/00/93/971020093.db2.gz DKULRSMRIOQHEB-QFBILLFUSA-N 1 0 358.530 2.776 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000840479049 971356915 /nfs/dbraw/zinc/35/69/15/971356915.db2.gz LJMJSQFWRJRHIS-KRWDZBQOSA-N 1 0 360.546 2.975 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000123317507 971704546 /nfs/dbraw/zinc/70/45/46/971704546.db2.gz IMRPXZOFMXMNPB-MSOLQXFVSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175828347 961793415 /nfs/dbraw/zinc/79/34/15/961793415.db2.gz RRPQSVFAABXFGL-UHFFFAOYSA-N 1 0 368.525 2.688 20 10 FFCDRO Cc1cc(C)n(CCCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891243726 962544493 /nfs/dbraw/zinc/54/44/93/962544493.db2.gz UMQZDOUUFCJORE-FQEVSTJZSA-N 1 0 371.529 2.765 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cncc3[nH]ccc32)[NH+](C)C)cc1 ZINC000891248562 962577824 /nfs/dbraw/zinc/57/78/24/962577824.db2.gz YRPBRELADRIPJE-LJQANCHMSA-N 1 0 351.454 2.662 20 10 FFCDRO Cc1ccn([C@@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891247730 962580705 /nfs/dbraw/zinc/58/07/05/962580705.db2.gz UTFJUJNNFYLRIJ-LPHOPBHVSA-N 1 0 357.502 2.628 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3nccnc32)[NH+](C)C)cc1 ZINC000891247972 962580741 /nfs/dbraw/zinc/58/07/41/962580741.db2.gz JBHYMVRPFDMELY-LJQANCHMSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3n[nH]cc3c2)[NH+](C)C)cc1 ZINC000891248683 962589487 /nfs/dbraw/zinc/58/94/87/962589487.db2.gz MWNBUNPTTBDNCK-HXUWFJFHSA-N 1 0 365.481 2.591 20 10 FFCDRO CC(C)c1ncncc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252157 962597470 /nfs/dbraw/zinc/59/74/70/962597470.db2.gz HIZOVJWIFWWMMX-GOSISDBHSA-N 1 0 355.486 2.699 20 10 FFCDRO Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256689 962619417 /nfs/dbraw/zinc/61/94/17/962619417.db2.gz ZURZQJGFJGHKMG-IFXJQAMLSA-N 1 0 371.529 2.626 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1Cn1cccn1 ZINC000873080152 1013377699 /nfs/dbraw/zinc/37/76/99/1013377699.db2.gz MHZGEZUPMWSJPO-LJQANCHMSA-N 1 0 371.481 2.758 20 10 FFCDRO O=C1CO[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)CN1CC1CCCC1 ZINC001276064790 1013393868 /nfs/dbraw/zinc/39/38/68/1013393868.db2.gz XSNIMIBKCWHARG-FQEVSTJZSA-N 1 0 362.445 2.525 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CC(F)F)ccc21 ZINC001276111924 1013475007 /nfs/dbraw/zinc/47/50/07/1013475007.db2.gz KDFLLWXECBHBKG-QZTJIDSGSA-N 1 0 363.452 2.899 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1O ZINC000894297911 964320924 /nfs/dbraw/zinc/32/09/24/964320924.db2.gz KEJGLISWTGMXPH-WOJBJXKFSA-N 1 0 370.493 2.682 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@](C)(O)c2ccco2)c2cc(F)ccc2n1C ZINC000894315800 964671757 /nfs/dbraw/zinc/67/17/57/964671757.db2.gz MTUUFTKKECBSBY-IBGZPJMESA-N 1 0 360.385 2.694 20 10 FFCDRO NC(=O)C1CC[NH+](CCc2ccc(NCc3ccccc3O)cc2)CC1 ZINC000126546806 964806583 /nfs/dbraw/zinc/80/65/83/964806583.db2.gz RNHLHDXBTGMSLQ-UHFFFAOYSA-N 1 0 353.466 2.744 20 10 FFCDRO COc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(O)c1OC ZINC000891861909 965256208 /nfs/dbraw/zinc/25/62/08/965256208.db2.gz RLMLKVICTFSELS-AWEZNQCLSA-N 1 0 364.486 2.782 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(O)c1OC ZINC000894518477 965441714 /nfs/dbraw/zinc/44/17/14/965441714.db2.gz CQMKYURRVPUSRE-AWEZNQCLSA-N 1 0 374.437 2.510 20 10 FFCDRO COc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c(O)c1OC ZINC000894606186 965505191 /nfs/dbraw/zinc/50/51/91/965505191.db2.gz PZKSAFPIKJPRRU-UHFFFAOYSA-N 1 0 357.450 2.936 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)c(O)c1O ZINC001176038538 1013616422 /nfs/dbraw/zinc/61/64/22/1013616422.db2.gz RBLHRCDDLXHRMR-KRWDZBQOSA-N 1 0 367.449 2.943 20 10 FFCDRO Cn1cc([C@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC23CCOCC3)cn1 ZINC000894888669 966094774 /nfs/dbraw/zinc/09/47/74/966094774.db2.gz PCFBMVVYDILBEV-MRXNPFEDSA-N 1 0 363.408 2.800 20 10 FFCDRO Cc1noc2ncc(C[NH2+]Cc3cc(F)c(N4CCOCC4)c(F)c3)cc12 ZINC000894980268 967141433 /nfs/dbraw/zinc/14/14/33/967141433.db2.gz MSVUEMCVQXTMRJ-UHFFFAOYSA-N 1 0 374.391 2.936 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)cc1 ZINC000874110389 1013760979 /nfs/dbraw/zinc/76/09/79/1013760979.db2.gz TVMLYSDJAWHNMZ-UHFFFAOYSA-N 1 0 357.498 2.610 20 10 FFCDRO Oc1cc(O)c(CCNc2cc(Br)cc3c[nH+]cn32)cc1O ZINC001168014673 968056248 /nfs/dbraw/zinc/05/62/48/968056248.db2.gz YSDQXUKGQGCBGM-UHFFFAOYSA-N 1 0 364.199 2.868 20 10 FFCDRO CCn1cc([C@@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000895249156 968751553 /nfs/dbraw/zinc/75/15/53/968751553.db2.gz PMFPLCQSQNGMIB-DNVCBOLYSA-N 1 0 372.517 2.632 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(O)c1OC ZINC000892467287 968902985 /nfs/dbraw/zinc/90/29/85/968902985.db2.gz XHPMDSMKZXZWBO-CYBMUJFWSA-N 1 0 354.410 2.841 20 10 FFCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001177066345 1013842063 /nfs/dbraw/zinc/84/20/63/1013842063.db2.gz UFGWSPQYWPHYAZ-JOCHJYFZSA-N 1 0 370.516 2.970 20 10 FFCDRO COc1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c(O)c1OC ZINC000892873945 970342803 /nfs/dbraw/zinc/34/28/03/970342803.db2.gz BWJCQBQQTOCNRB-KRWDZBQOSA-N 1 0 371.355 2.949 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000892899342 970353938 /nfs/dbraw/zinc/35/39/38/970353938.db2.gz KCABMCXEPZGSQM-KDURUIRLSA-N 1 0 356.514 2.626 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1OC ZINC000892925674 970376021 /nfs/dbraw/zinc/37/60/21/970376021.db2.gz DTGIFLFXLSEIOR-UHFFFAOYSA-N 1 0 366.458 2.899 20 10 FFCDRO C[NH+](C)CCOc1ccc(CCNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875236406 1013999516 /nfs/dbraw/zinc/99/95/16/1013999516.db2.gz SJMXRSRWTSEROE-UHFFFAOYSA-N 1 0 369.465 2.601 20 10 FFCDRO COC1CC[NH+](C2(CNC(=O)N3Cc4cccc(O)c4C3)CCCC2)CC1 ZINC000875257355 1014003279 /nfs/dbraw/zinc/00/32/79/1014003279.db2.gz NJSCNHXZMANLIM-UHFFFAOYSA-N 1 0 373.497 2.841 20 10 FFCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893109771 970605445 /nfs/dbraw/zinc/60/54/45/970605445.db2.gz AWXWANULLIRXIY-OAHLLOKOSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1O ZINC000875392878 1014021494 /nfs/dbraw/zinc/02/14/94/1014021494.db2.gz FGELESRGBAKJOK-UCLAIMLFSA-N 1 0 361.486 2.520 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000875392873 1014021749 /nfs/dbraw/zinc/02/17/49/1014021749.db2.gz FGELESRGBAKJOK-LJHODMEESA-N 1 0 361.486 2.520 20 10 FFCDRO COc1ccc(C[NH2+][C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895483784 970671244 /nfs/dbraw/zinc/67/12/44/970671244.db2.gz BGCWQOXMFPTXIL-LJQANCHMSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)C2)cc1F ZINC000895504894 970674766 /nfs/dbraw/zinc/67/47/66/970674766.db2.gz XWIACAYIFHWWOP-ZDUSSCGKSA-N 1 0 374.368 2.551 20 10 FFCDRO COc1ccc(CN2CC[C@H]2CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875812515 1014080221 /nfs/dbraw/zinc/08/02/21/1014080221.db2.gz VERGSEBGPDBJGS-KRWDZBQOSA-N 1 0 367.449 2.701 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000653142209 1014235347 /nfs/dbraw/zinc/23/53/47/1014235347.db2.gz CRLDTOVSIDWHSJ-FQEVSTJZSA-N 1 0 367.493 2.787 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CCCC1 ZINC000653163246 1014242939 /nfs/dbraw/zinc/24/29/39/1014242939.db2.gz NHMYKEIKRDVLNX-JKSUJKDBSA-N 1 0 369.509 2.972 20 10 FFCDRO CCC(C)(C)NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162830447 975327652 /nfs/dbraw/zinc/32/76/52/975327652.db2.gz LIHYAPGTBOODFB-UHFFFAOYSA-N 1 0 362.518 2.695 20 10 FFCDRO C/C(=C/c1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608457 975906919 /nfs/dbraw/zinc/90/69/19/975906919.db2.gz UZAHQQGTYSXBJT-ICFOKQHNSA-N 1 0 350.466 2.553 20 10 FFCDRO COc1cccc(C(=O)N2CCC([NH2+]Cc3ccc(O)c(O)c3)CC2)c1 ZINC001167854562 976859000 /nfs/dbraw/zinc/85/90/00/976859000.db2.gz GKTNCGNVEDGKKM-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C)O1 ZINC000899098009 976922989 /nfs/dbraw/zinc/92/29/89/976922989.db2.gz KIGZGBRPUWVCGV-GJYPPUQNSA-N 1 0 362.518 2.564 20 10 FFCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876742157 1014372764 /nfs/dbraw/zinc/37/27/64/1014372764.db2.gz RGKLIANRDAVMRB-HZPDHXFCSA-N 1 0 367.440 2.746 20 10 FFCDRO COc1ccc(N2CCN(Cc3ccc4oc(=O)n(C)c4c3)CC2)cc1F ZINC000876805170 1014398767 /nfs/dbraw/zinc/39/87/67/1014398767.db2.gz ACCSMHURYBPHCE-UHFFFAOYSA-N 1 0 371.412 2.601 20 10 FFCDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876879537 1014408588 /nfs/dbraw/zinc/40/85/88/1014408588.db2.gz KVSPNKUPUFVNQA-FPOVZHCZSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(O)c1OC ZINC000893989050 977631475 /nfs/dbraw/zinc/63/14/75/977631475.db2.gz IJJRCJZCZGVLKX-UHFFFAOYSA-N 1 0 362.401 2.987 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c(O)c1 ZINC000876985480 1014441205 /nfs/dbraw/zinc/44/12/05/1014441205.db2.gz GIKUOLVUFIAZBQ-UHFFFAOYSA-N 1 0 356.466 2.701 20 10 FFCDRO CO[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000876999799 1014445470 /nfs/dbraw/zinc/44/54/70/1014445470.db2.gz ZCVYPNSZSVXGCZ-KDOFPFPSSA-N 1 0 370.440 2.898 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCCCn2ccnc2)c2cc(F)ccc2n1C ZINC000894198504 978132104 /nfs/dbraw/zinc/13/21/04/978132104.db2.gz CJJVXARDWSUYJY-UHFFFAOYSA-N 1 0 358.417 2.871 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@]3(O)CCc4ccccc43)cc2)CC1 ZINC000877111445 1014477672 /nfs/dbraw/zinc/47/76/72/1014477672.db2.gz IRIQBWMTEFBLGV-JOCHJYFZSA-N 1 0 352.478 2.571 20 10 FFCDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877579533 1014634212 /nfs/dbraw/zinc/63/42/12/1014634212.db2.gz UTWWGSSIMBCKEO-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000760204081 980226979 /nfs/dbraw/zinc/22/69/79/980226979.db2.gz MTLAQTGABHLDHO-UHFFFAOYSA-N 1 0 369.509 2.931 20 10 FFCDRO Cc1cc(C2([NH2+]Cc3ccc(N4CCC(O)CC4)cc3)CCOCC2)on1 ZINC000877661172 1014666481 /nfs/dbraw/zinc/66/64/81/1014666481.db2.gz XCKHGZJEJGLWNI-UHFFFAOYSA-N 1 0 371.481 2.740 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000054424304 980643265 /nfs/dbraw/zinc/64/32/65/980643265.db2.gz IDYVBSWNYJWZBK-UHFFFAOYSA-N 1 0 357.429 2.985 20 10 FFCDRO O=C1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCCCCCN1 ZINC000877685458 1014677809 /nfs/dbraw/zinc/67/78/09/1014677809.db2.gz AEPFVVJVYOGQEN-UHFFFAOYSA-N 1 0 363.477 2.545 20 10 FFCDRO CCc1cccc(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1O ZINC000877692308 1014687690 /nfs/dbraw/zinc/68/76/90/1014687690.db2.gz YCSBYOZDJGREDF-OALUTQOASA-N 1 0 353.466 2.959 20 10 FFCDRO COc1cc(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)cc1OC ZINC000877762915 1014716634 /nfs/dbraw/zinc/71/66/34/1014716634.db2.gz SGUAEWBKKWKARE-INIZCTEOSA-N 1 0 355.438 2.789 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000031726855 981847532 /nfs/dbraw/zinc/84/75/32/981847532.db2.gz AVROZYLAMOERSC-FQEVSTJZSA-N 1 0 354.498 2.725 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC000877984133 1014797701 /nfs/dbraw/zinc/79/77/01/1014797701.db2.gz AKVUILITRFQOEG-LJQANCHMSA-N 1 0 362.514 2.511 20 10 FFCDRO CC(C)n1nccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000878005223 1014807254 /nfs/dbraw/zinc/80/72/54/1014807254.db2.gz NCEIYYQKKXBJKZ-UHFFFAOYSA-N 1 0 356.474 2.538 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841996551 982538918 /nfs/dbraw/zinc/53/89/18/982538918.db2.gz LNCYXFBUCFYNAR-FQEVSTJZSA-N 1 0 352.482 2.781 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)cc1Cn1cccn1 ZINC000898062011 982605126 /nfs/dbraw/zinc/60/51/26/982605126.db2.gz RANBITUBFJMSEM-AZUAARDMSA-N 1 0 353.466 2.989 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3[nH]c(C(F)F)nc32)cc1 ZINC000911665886 983862411 /nfs/dbraw/zinc/86/24/11/983862411.db2.gz FSDGLVZPFWKPPC-AWEZNQCLSA-N 1 0 373.407 2.996 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C4CC4)C3)cc2F)CC1 ZINC000764403392 984482412 /nfs/dbraw/zinc/48/24/12/984482412.db2.gz GCQRYIWPPMRNRF-GOSISDBHSA-N 1 0 374.504 2.909 20 10 FFCDRO C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000764460631 984506404 /nfs/dbraw/zinc/50/64/04/984506404.db2.gz NGGGOEWWDTWRQF-NSISKUIASA-N 1 0 359.514 2.600 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1F ZINC000058558935 984617935 /nfs/dbraw/zinc/61/79/35/984617935.db2.gz MEDGUWHNXGOJGP-UHFFFAOYSA-N 1 0 358.461 2.953 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCc4c3cnn4CCO)CC2)cc1 ZINC000765294997 985022267 /nfs/dbraw/zinc/02/22/67/985022267.db2.gz BZANAPAWGAVWKF-FQEVSTJZSA-N 1 0 370.497 2.520 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000765400908 985070613 /nfs/dbraw/zinc/07/06/13/985070613.db2.gz HDRUOKXOGLKQNX-SFHVURJKSA-N 1 0 371.529 2.945 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCC3)ccc21 ZINC000171669425 985360158 /nfs/dbraw/zinc/36/01/58/985360158.db2.gz SYTKXORBXKTUOV-IBGZPJMESA-N 1 0 356.514 2.839 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)cc1 ZINC000921606517 985421276 /nfs/dbraw/zinc/42/12/76/985421276.db2.gz JMPNQUNWIYWGOF-SLFFLAALSA-N 1 0 373.541 2.612 20 10 FFCDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921998482 987479587 /nfs/dbraw/zinc/47/95/87/987479587.db2.gz AMOKYXBDTWHECR-UHFFFAOYSA-N 1 0 372.490 2.841 20 10 FFCDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000761669961 987696305 /nfs/dbraw/zinc/69/63/05/987696305.db2.gz PQHKFXXAMJMGQU-UHFFFAOYSA-N 1 0 357.410 2.907 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1Cn1cccn1 ZINC000922523304 988668527 /nfs/dbraw/zinc/66/85/27/988668527.db2.gz JYHPKZKZYSRKRG-RBUKOAKNSA-N 1 0 372.538 2.609 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)cc1Cn1cccn1 ZINC000922610267 988752043 /nfs/dbraw/zinc/75/20/43/988752043.db2.gz RTPYYHIKLWJWGR-HXUWFJFHSA-N 1 0 359.470 2.614 20 10 FFCDRO CCC1([NH+](C)C)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000879286797 1015461138 /nfs/dbraw/zinc/46/11/38/1015461138.db2.gz HDVDBKWLBFXLCB-UHFFFAOYSA-N 1 0 360.546 2.517 20 10 FFCDRO Oc1c(CNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)cc(Cl)c2cccnc12 ZINC001168523163 990205241 /nfs/dbraw/zinc/20/52/41/990205241.db2.gz LDWXGLUXRIEXFD-CYBMUJFWSA-N 1 0 371.828 2.737 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001034963536 990331093 /nfs/dbraw/zinc/33/10/93/990331093.db2.gz YDXWIPGROWRSAY-KZNAEPCWSA-N 1 0 368.481 2.611 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)nc1 ZINC000179677202 991312578 /nfs/dbraw/zinc/31/25/78/991312578.db2.gz ZIYFUSSPXGJIFC-UHFFFAOYSA-N 1 0 355.438 2.595 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180670128 991534204 /nfs/dbraw/zinc/53/42/04/991534204.db2.gz KKNYPFYXOPGMIU-CSKARUKUSA-N 1 0 365.433 2.573 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001272705249 992371539 /nfs/dbraw/zinc/37/15/39/992371539.db2.gz BYXWLRAJTDXHQJ-OAQYLSRUSA-N 1 0 358.482 2.897 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001272708215 992508226 /nfs/dbraw/zinc/50/82/26/992508226.db2.gz YUOAOOBNFQGACH-UHFFFAOYSA-N 1 0 358.482 2.897 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185213713 993241164 /nfs/dbraw/zinc/24/11/64/993241164.db2.gz BDNGEXILHVTRQD-HNNXBMFYSA-N 1 0 357.429 2.531 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747551891 994472502 /nfs/dbraw/zinc/47/25/02/994472502.db2.gz GEKRNJCDISXKRF-UHFFFAOYSA-N 1 0 350.426 2.963 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1O ZINC000809705897 994587276 /nfs/dbraw/zinc/58/72/76/994587276.db2.gz CXOFUWDJNBPRKL-UHFFFAOYSA-N 1 0 374.824 2.830 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2cc(OC)c(OC)cc2O)c1 ZINC000809751712 994604863 /nfs/dbraw/zinc/60/48/63/994604863.db2.gz ITRQBDXFUCHHRW-UHFFFAOYSA-N 1 0 374.481 2.982 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(COC)OCCc3ccccc32)c1 ZINC000810158111 994720024 /nfs/dbraw/zinc/72/00/24/994720024.db2.gz HNGIGAYTJPEDAC-NRFANRHFSA-N 1 0 357.450 2.995 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C[NH+](C)C)ccn3)C2)cc1 ZINC000880601751 1015889321 /nfs/dbraw/zinc/88/93/21/1015889321.db2.gz GPIRPAWUAZBOBL-MRXNPFEDSA-N 1 0 369.469 2.552 20 10 FFCDRO C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001132902251 995198821 /nfs/dbraw/zinc/19/88/21/995198821.db2.gz JBTREROOMTYRHX-YLJYHZDGSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC001133123216 995332125 /nfs/dbraw/zinc/33/21/25/995332125.db2.gz BLFGIQMKTGLXGL-UHFFFAOYSA-N 1 0 357.429 2.516 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)[C@@H](C)COC)cc2F)CC1 ZINC000812501583 995448049 /nfs/dbraw/zinc/44/80/49/995448049.db2.gz DJOBFNDPJHLJFC-JKSUJKDBSA-N 1 0 365.493 2.502 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC001082796176 995507728 /nfs/dbraw/zinc/50/77/28/995507728.db2.gz VHLADMJTHLZYDW-GPMSIDNRSA-N 1 0 370.497 2.542 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)C ZINC000812892520 995572799 /nfs/dbraw/zinc/57/27/99/995572799.db2.gz GVYAIRFBEXNJTH-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC001137369648 1015992220 /nfs/dbraw/zinc/99/22/20/1015992220.db2.gz QJWHKENLGDFIER-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000803660977 1016038814 /nfs/dbraw/zinc/03/88/14/1016038814.db2.gz LEWVWPPNWRWGHF-UHFFFAOYSA-N 1 0 372.421 2.849 20 10 FFCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824570689 996995334 /nfs/dbraw/zinc/99/53/34/996995334.db2.gz DSLYUVJWULHEKQ-INIZCTEOSA-N 1 0 360.454 2.863 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000824832479 997119392 /nfs/dbraw/zinc/11/93/92/997119392.db2.gz YOCKIPQWXLETRZ-TZMCWYRMSA-N 1 0 372.387 2.634 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000824832475 997119620 /nfs/dbraw/zinc/11/96/20/997119620.db2.gz YOCKIPQWXLETRZ-JSGCOSHPSA-N 1 0 372.387 2.634 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC000825111818 997215933 /nfs/dbraw/zinc/21/59/33/997215933.db2.gz PQVJWYOACONRIZ-ZIAGYGMSSA-N 1 0 370.449 2.865 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](C)C1 ZINC000128776685 1016105174 /nfs/dbraw/zinc/10/51/74/1016105174.db2.gz UMWUVALDVKEYCW-APWZRJJASA-N 1 0 358.530 2.941 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)C[C@H]2Cc2ccccc2)cc1OC ZINC000844743435 998111705 /nfs/dbraw/zinc/11/17/05/998111705.db2.gz XOHUIVPMMYDLLK-GOSISDBHSA-N 1 0 356.466 2.768 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000845163880 998390548 /nfs/dbraw/zinc/39/05/48/998390548.db2.gz SGHDALXKAQFSBQ-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504650 998611858 /nfs/dbraw/zinc/61/18/58/998611858.db2.gz YPKMFNYNGGSHAP-HNNXBMFYSA-N 1 0 366.458 2.881 20 10 FFCDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504004 998612511 /nfs/dbraw/zinc/61/25/11/998612511.db2.gz HYBWIJKGOWQYAL-NEPJUHHUSA-N 1 0 352.431 2.633 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144508720 998621344 /nfs/dbraw/zinc/62/13/44/998621344.db2.gz WBBFEILXLMURJO-OAHLLOKOSA-N 1 0 374.481 2.712 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509077 998622356 /nfs/dbraw/zinc/62/23/56/998622356.db2.gz KHHITPFFXXJROH-UHFFFAOYSA-N 1 0 364.442 2.636 20 10 FFCDRO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514803 998626356 /nfs/dbraw/zinc/62/63/56/998626356.db2.gz SLUKXBHLHDKPMZ-RYUDHWBXSA-N 1 0 352.431 2.681 20 10 FFCDRO C[C@H]1C[NH+](Cc2c(O)cc(O)cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001144515873 998627485 /nfs/dbraw/zinc/62/74/85/998627485.db2.gz HLTNDRLIUUAYNT-RYUDHWBXSA-N 1 0 352.431 2.633 20 10 FFCDRO CC1(C)[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@]12c1ccccc1OC2=O ZINC001144515862 998627602 /nfs/dbraw/zinc/62/76/02/998627602.db2.gz HDWULLCDNFFSJZ-FQEVSTJZSA-N 1 0 355.390 2.645 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702604879 999129772 /nfs/dbraw/zinc/12/97/72/999129772.db2.gz ZZTRKCLVZWJFPC-HRAATJIYSA-N 1 0 356.466 2.688 20 10 FFCDRO COc1cccc([C@H](CNC(=O)NCc2cc(OC)ccc2O)[NH+](C)C)c1 ZINC000734065531 999188570 /nfs/dbraw/zinc/18/85/70/999188570.db2.gz ZMGFZRSUEBORFW-SFHVURJKSA-N 1 0 373.453 2.512 20 10 FFCDRO Fc1cc(C[NH2+]CC2CCC3(CC2)OCCO3)ccc1N1CCOCC1 ZINC000766222870 999580269 /nfs/dbraw/zinc/58/02/69/999580269.db2.gz NYJYSBWSZFYFRS-UHFFFAOYSA-N 1 0 364.461 2.685 20 10 FFCDRO C[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000766239589 999655824 /nfs/dbraw/zinc/65/58/24/999655824.db2.gz MUXOZBKQVLDVLY-OAQYLSRUSA-N 1 0 371.525 2.746 20 10 FFCDRO COC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000739921033 999658001 /nfs/dbraw/zinc/65/80/01/999658001.db2.gz LQDNPJVCRVAVLF-INIZCTEOSA-N 1 0 370.449 2.974 20 10 FFCDRO COc1ccc2c(c1)CCCCN2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000766267970 999718385 /nfs/dbraw/zinc/71/83/85/999718385.db2.gz DPHWOWCEQBZBAR-UHFFFAOYSA-N 1 0 357.498 2.581 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000746416099 999986851 /nfs/dbraw/zinc/98/68/51/999986851.db2.gz DYRYBQGTZOKIBX-KRWDZBQOSA-N 1 0 362.493 2.765 20 10 FFCDRO O=C(OC1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1)c1ccccc1 ZINC001169268303 1000037833 /nfs/dbraw/zinc/03/78/33/1000037833.db2.gz LSTVYILSJQFKDL-UHYCVJNDSA-N 1 0 371.433 2.889 20 10 FFCDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3c(c1)C1(CCOCC1)C(=O)N3)CCC2 ZINC001169591484 1000060155 /nfs/dbraw/zinc/06/01/55/1000060155.db2.gz KXIVLRASYMLFIJ-UHFFFAOYSA-N 1 0 364.449 2.625 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccon2)C1 ZINC000766764858 1000062934 /nfs/dbraw/zinc/06/29/34/1000062934.db2.gz JZDRDHXGLJMOII-UHFFFAOYSA-N 1 0 352.438 2.712 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2ccnn2C)C1 ZINC000766828935 1000076343 /nfs/dbraw/zinc/07/63/43/1000076343.db2.gz GVJNZXHBEMMFKV-UHFFFAOYSA-N 1 0 366.465 2.885 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(F)c1 ZINC000845950450 1000184380 /nfs/dbraw/zinc/18/43/80/1000184380.db2.gz ZEIORDWKKPAPQD-QGZVFWFLSA-N 1 0 371.456 2.826 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)c(C)c1 ZINC001144641571 1000190813 /nfs/dbraw/zinc/19/08/13/1000190813.db2.gz CUYXNQKMFBRTFD-UHFFFAOYSA-N 1 0 351.454 2.608 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-n1cncn1 ZINC000768208544 1000192061 /nfs/dbraw/zinc/19/20/61/1000192061.db2.gz SVQNJXAHVARIFG-UHFFFAOYSA-N 1 0 363.465 2.736 20 10 FFCDRO COc1cccc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1O ZINC000846048531 1000197290 /nfs/dbraw/zinc/19/72/90/1000197290.db2.gz LLXKWUQSAYSKBN-VQTJNVASSA-N 1 0 368.477 2.876 20 10 FFCDRO COCC[N@H+](CCCc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439241 1000247637 /nfs/dbraw/zinc/24/76/37/1000247637.db2.gz DSHBHTGYUVZLFP-HXUWFJFHSA-N 1 0 357.450 2.899 20 10 FFCDRO O=C(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768439975 1000248824 /nfs/dbraw/zinc/24/88/24/1000248824.db2.gz BLTOCFWNVQNFCW-LJQANCHMSA-N 1 0 353.418 2.913 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)[C@@H](O)CO2 ZINC000768440703 1000249063 /nfs/dbraw/zinc/24/90/63/1000249063.db2.gz UHPJFWAXWWRYHR-PXNSSMCTSA-N 1 0 355.434 2.999 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768447952 1000249849 /nfs/dbraw/zinc/24/98/49/1000249849.db2.gz RYMNOJACQADSSD-QINHECLXSA-N 1 0 360.498 2.904 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](N)CC[NH+](C)C ZINC000846677063 1000406804 /nfs/dbraw/zinc/40/68/04/1000406804.db2.gz MUVOGGPYJNTIGM-APWZRJJASA-N 1 0 355.482 2.761 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697924 1000412454 /nfs/dbraw/zinc/41/24/54/1000412454.db2.gz YVJNVTMGCPBWOP-UHFFFAOYSA-N 1 0 355.482 2.666 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000846860618 1000460849 /nfs/dbraw/zinc/46/08/49/1000460849.db2.gz KSOHLROQJJPFDF-MGPUTAFESA-N 1 0 363.502 2.775 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000769320696 1000492625 /nfs/dbraw/zinc/49/26/25/1000492625.db2.gz UOCRSFMLINBFRP-APWZRJJASA-N 1 0 359.514 2.513 20 10 FFCDRO COCC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769452553 1000525380 /nfs/dbraw/zinc/52/53/80/1000525380.db2.gz XPZSOTDMCYODSA-UHFFFAOYSA-N 1 0 363.458 2.558 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccncc3C)cc2F)CC1 ZINC000769930214 1000640054 /nfs/dbraw/zinc/64/00/54/1000640054.db2.gz WKHGOCNOUQXTLE-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(O)c(O)c(O)c1 ZINC001148588635 1001176813 /nfs/dbraw/zinc/17/68/13/1001176813.db2.gz XRXYGLLADJGQOR-UHFFFAOYSA-N 1 0 358.394 2.530 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(C(C)(C)C)no1 ZINC000771841954 1001212012 /nfs/dbraw/zinc/21/20/12/1001212012.db2.gz HHNSPDIXZNXWDE-OAHLLOKOSA-N 1 0 357.502 2.970 20 10 FFCDRO CCO[C@@H]1CN(C(=O)C2CCC2)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087017055 1001370708 /nfs/dbraw/zinc/37/07/08/1001370708.db2.gz KGXJRSAFUSUQQO-UYAOXDASSA-N 1 0 360.498 2.757 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334087 1001682495 /nfs/dbraw/zinc/68/24/95/1001682495.db2.gz GCFSSUDMJPNQLW-DJPFJPOOSA-N 1 0 365.477 2.863 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787420579 1001688915 /nfs/dbraw/zinc/68/89/15/1001688915.db2.gz JDEBLJVYXMRRSK-GDBMZVCRSA-N 1 0 361.442 2.969 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000787997035 1001741764 /nfs/dbraw/zinc/74/17/64/1001741764.db2.gz VSCYFLAWBDCFED-CEWLAPEOSA-N 1 0 371.525 2.648 20 10 FFCDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232977826 1036211551 /nfs/dbraw/zinc/21/15/51/1036211551.db2.gz NPMZTRNJWLIOAK-CYBMUJFWSA-N 1 0 361.223 2.996 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(C)n1-c1ccccc1C ZINC000774274583 1001831019 /nfs/dbraw/zinc/83/10/19/1001831019.db2.gz LDCTVNIWUJYCNX-IBGZPJMESA-N 1 0 366.509 2.522 20 10 FFCDRO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000788784316 1001877226 /nfs/dbraw/zinc/87/72/26/1001877226.db2.gz WKZAEIWMBGITKZ-ORAYPTAESA-N 1 0 358.413 2.668 20 10 FFCDRO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001183375082 1002263585 /nfs/dbraw/zinc/26/35/85/1002263585.db2.gz PMIVHHHBGFPSGS-OTVXOJSOSA-N 1 0 371.403 2.574 20 10 FFCDRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005458 1016604719 /nfs/dbraw/zinc/60/47/19/1016604719.db2.gz UOKNMUKHVGUUOV-FQEVSTJZSA-N 1 0 362.477 2.954 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc(N4CCC4=O)c3)cc2)CC1 ZINC000790487119 1002391513 /nfs/dbraw/zinc/39/15/13/1002391513.db2.gz UYPJBMXJOAPPHU-UHFFFAOYSA-N 1 0 350.466 2.787 20 10 FFCDRO COc1c(O)c(CN2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000774821794 1002810198 /nfs/dbraw/zinc/81/01/98/1002810198.db2.gz UIEGROVNFXAIFP-UHFFFAOYSA-N 1 0 361.373 2.770 20 10 FFCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000792187415 1002936860 /nfs/dbraw/zinc/93/68/60/1002936860.db2.gz RUEMAOLXAHRJHF-QGZVFWFLSA-N 1 0 372.469 2.782 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C ZINC000792920588 1003232531 /nfs/dbraw/zinc/23/25/31/1003232531.db2.gz ZBWWXGYVIFKAKS-UWWQBHOKSA-N 1 0 364.461 2.730 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001203642869 1003376166 /nfs/dbraw/zinc/37/61/66/1003376166.db2.gz OWLIETRAFKRPRB-UHFFFAOYSA-N 1 0 364.243 2.988 20 10 FFCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C)C1 ZINC000793586260 1003431924 /nfs/dbraw/zinc/43/19/24/1003431924.db2.gz HNAYQHRCPNJQQE-ZWKOTPCHSA-N 1 0 370.493 2.858 20 10 FFCDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000793601646 1003437000 /nfs/dbraw/zinc/43/70/00/1003437000.db2.gz QHSMQJJHAQLLFZ-INIZCTEOSA-N 1 0 363.502 2.916 20 10 FFCDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000794380787 1003621913 /nfs/dbraw/zinc/62/19/13/1003621913.db2.gz CUBMOTPAFWQTCJ-GOSISDBHSA-N 1 0 354.450 2.929 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ccnc4c3cnn4C)cc2F)CC1 ZINC000804440183 1003672666 /nfs/dbraw/zinc/67/26/66/1003672666.db2.gz ADWKTMTYLIOXJE-UHFFFAOYSA-N 1 0 368.460 2.861 20 10 FFCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775724853 1003838373 /nfs/dbraw/zinc/83/83/73/1003838373.db2.gz RLOKFZYSWCDZOR-UHFFFAOYSA-N 1 0 366.500 2.600 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806134224 1004237492 /nfs/dbraw/zinc/23/74/92/1004237492.db2.gz VZLHTRJCNFDKBC-QGZVFWFLSA-N 1 0 363.465 2.955 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CSc3ncccc3C)CC2)cc1 ZINC000806630545 1004380023 /nfs/dbraw/zinc/38/00/23/1004380023.db2.gz FIXXNPLGAGWTEX-SFHVURJKSA-N 1 0 373.522 2.674 20 10 FFCDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775832069 1004543789 /nfs/dbraw/zinc/54/37/89/1004543789.db2.gz WZGWUYBIDQHLSK-HNNXBMFYSA-N 1 0 369.465 2.853 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775836606 1004562949 /nfs/dbraw/zinc/56/29/49/1004562949.db2.gz OEFATDVOVBICRU-AWEZNQCLSA-N 1 0 355.438 2.829 20 10 FFCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(I)cc2O)C1 ZINC001205838854 1004619903 /nfs/dbraw/zinc/61/99/03/1004619903.db2.gz DFFPGDBLQBBPFJ-ZWNOBZJWSA-N 1 0 360.239 2.556 20 10 FFCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(I)cc2O)C1 ZINC001205838849 1004619978 /nfs/dbraw/zinc/61/99/78/1004619978.db2.gz DFFPGDBLQBBPFJ-MFKMUULPSA-N 1 0 360.239 2.556 20 10 FFCDRO COc1cc(O)c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000775642564 1004908235 /nfs/dbraw/zinc/90/82/35/1004908235.db2.gz FHBHKNCARROTOH-UHFFFAOYSA-N 1 0 355.394 2.690 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH+]3CCN(Cc4ccsc4)CC3)cc2)CC1 ZINC000775645780 1004911975 /nfs/dbraw/zinc/91/19/75/1004911975.db2.gz ABTUURHPYXUJPJ-UHFFFAOYSA-N 1 0 370.566 2.818 20 10 FFCDRO C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000775644919 1004917427 /nfs/dbraw/zinc/91/74/27/1004917427.db2.gz XUWIUPCDCVSPSK-UHFFFAOYSA-N 1 0 353.466 2.799 20 10 FFCDRO Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000775659989 1004978254 /nfs/dbraw/zinc/97/82/54/1004978254.db2.gz QSUYCQDKYOTKEC-IBGZPJMESA-N 1 0 355.486 2.857 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000776216099 1005277291 /nfs/dbraw/zinc/27/72/91/1005277291.db2.gz MVFCARJYOZGKMZ-KKSFZXQISA-N 1 0 356.466 2.780 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000827061236 1016958305 /nfs/dbraw/zinc/95/83/05/1016958305.db2.gz OFLPEBNVUXTPRN-INIZCTEOSA-N 1 0 362.470 2.823 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000850480930 1005817901 /nfs/dbraw/zinc/81/79/01/1005817901.db2.gz CSTOXIIYIYEULD-WMLDXEAASA-N 1 0 363.429 2.811 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc4c(c3)OCC(=O)N4)C2)cc1 ZINC000850488327 1005818311 /nfs/dbraw/zinc/81/83/11/1005818311.db2.gz MBHZUJVEJAPQIB-ZBFHGGJFSA-N 1 0 367.449 2.956 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000850483558 1005818353 /nfs/dbraw/zinc/81/83/53/1005818353.db2.gz YQISPSJVWREAKA-MJGOQNOKSA-N 1 0 357.450 2.598 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000851662649 1005904352 /nfs/dbraw/zinc/90/43/52/1005904352.db2.gz GLZLJNITQPNTNT-CRAIPNDOSA-N 1 0 368.481 2.793 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000852012066 1005933041 /nfs/dbraw/zinc/93/30/41/1005933041.db2.gz DNFRDBHQZRFJDH-LPHOPBHVSA-N 1 0 374.529 2.756 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000852412385 1006013139 /nfs/dbraw/zinc/01/31/39/1006013139.db2.gz SJNYLPGZYKEAFZ-IBGZPJMESA-N 1 0 374.529 2.537 20 10 FFCDRO Cn1c2ccccc2cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1=O ZINC000813790527 1006040907 /nfs/dbraw/zinc/04/09/07/1006040907.db2.gz PUFZURFORIGGJE-UHFFFAOYSA-N 1 0 363.461 2.665 20 10 FFCDRO Cc1cc(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)ccc1N1CCCCC1 ZINC000881379502 1006072933 /nfs/dbraw/zinc/07/29/33/1006072933.db2.gz SLYYBKOHCZKZKY-PMACEKPBSA-N 1 0 355.486 2.804 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C3CCC3)C1)cc2=O ZINC000852672414 1006134019 /nfs/dbraw/zinc/13/40/19/1006134019.db2.gz BAWWWRKEVHOLQI-CQSZACIVSA-N 1 0 358.442 2.624 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](N(C)CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000852696936 1006145425 /nfs/dbraw/zinc/14/54/25/1006145425.db2.gz TUUCZCRDEBFUTC-FZNQNYSPSA-N 1 0 373.428 2.694 20 10 FFCDRO CCOC(=O)c1cnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1C ZINC001187832708 1006287889 /nfs/dbraw/zinc/28/78/89/1006287889.db2.gz LVUCZINLQAOSMI-GOSISDBHSA-N 1 0 371.485 2.743 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CN4CCCC4=O)C3)c2c1 ZINC000853595813 1006468111 /nfs/dbraw/zinc/46/81/11/1006468111.db2.gz TXXJZRLDXBCUGJ-OAHLLOKOSA-N 1 0 354.450 2.998 20 10 FFCDRO Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c(C)c1 ZINC000853612768 1006474994 /nfs/dbraw/zinc/47/49/94/1006474994.db2.gz DXKZNBSYIBPJKM-HXUWFJFHSA-N 1 0 354.450 2.757 20 10 FFCDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230248 1006732318 /nfs/dbraw/zinc/73/23/18/1006732318.db2.gz KWHJOXMNXXHMCS-HTAPYJJXSA-N 1 0 353.510 2.696 20 10 FFCDRO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000854231891 1006734214 /nfs/dbraw/zinc/73/42/14/1006734214.db2.gz OMYWZXVWQFGVOP-ZDUSSCGKSA-N 1 0 359.449 2.621 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C2)cc1 ZINC000854302177 1006767303 /nfs/dbraw/zinc/76/73/03/1006767303.db2.gz JPVNYUIVCBXGCO-KRWDZBQOSA-N 1 0 362.518 2.503 20 10 FFCDRO CC1=NO[C@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000854804613 1006987358 /nfs/dbraw/zinc/98/73/58/1006987358.db2.gz RWJLVLBNMVHXTE-INIZCTEOSA-N 1 0 368.481 2.689 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775254908 1007096502 /nfs/dbraw/zinc/09/65/02/1007096502.db2.gz KSPMCDSYCNYELB-KRWDZBQOSA-N 1 0 359.514 2.870 20 10 FFCDRO CN(Cc1ccc2c(c1)NC(=O)CO2)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569268 1007121820 /nfs/dbraw/zinc/12/18/20/1007121820.db2.gz FHWVNISGEDBMHY-UHFFFAOYSA-N 1 0 355.438 2.594 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)ncn1 ZINC000816570108 1007121903 /nfs/dbraw/zinc/12/19/03/1007121903.db2.gz IPTGDHGIJJASPB-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258432 1007127717 /nfs/dbraw/zinc/12/77/17/1007127717.db2.gz ALEVHCNHWPGCLI-ABSDTBQOSA-N 1 0 359.514 2.869 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000816640943 1007146103 /nfs/dbraw/zinc/14/61/03/1007146103.db2.gz CBWRCLYFCDJCEP-GOSISDBHSA-N 1 0 354.450 2.724 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)cc2)CC1 ZINC000816657771 1007152963 /nfs/dbraw/zinc/15/29/63/1007152963.db2.gz ZIZKZDNMDYXSBL-OAQYLSRUSA-N 1 0 355.526 2.829 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855528099 1007398552 /nfs/dbraw/zinc/39/85/52/1007398552.db2.gz XSZUBVYZNRILPR-DUXPYHPUSA-N 1 0 367.449 2.534 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000775374516 1007584928 /nfs/dbraw/zinc/58/49/28/1007584928.db2.gz CUKZOUHUOKEMIR-GFCCVEGCSA-N 1 0 360.410 2.707 20 10 FFCDRO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775375519 1007586941 /nfs/dbraw/zinc/58/69/41/1007586941.db2.gz MIEIOSTYSLEYID-ZDUSSCGKSA-N 1 0 372.421 2.867 20 10 FFCDRO CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775375515 1007587571 /nfs/dbraw/zinc/58/75/71/1007587571.db2.gz MIEIOSTYSLEYID-CYBMUJFWSA-N 1 0 372.421 2.867 20 10 FFCDRO C[NH+](C)CC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000856212503 1007728426 /nfs/dbraw/zinc/72/84/26/1007728426.db2.gz LTKPJDZPCKZLBK-UHFFFAOYSA-N 1 0 373.541 2.776 20 10 FFCDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817887752 1007784576 /nfs/dbraw/zinc/78/45/76/1007784576.db2.gz DLSZPSUVHMHJJZ-JXFKEZNVSA-N 1 0 357.473 2.710 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000817942714 1007820774 /nfs/dbraw/zinc/82/07/74/1007820774.db2.gz QKTBVOVRJPAVNS-MGPUTAFESA-N 1 0 350.470 2.684 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000817942728 1007820801 /nfs/dbraw/zinc/82/08/01/1007820801.db2.gz QPJDOZMCAJWHLR-RTBURBONSA-N 1 0 353.445 2.994 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000818272386 1007907787 /nfs/dbraw/zinc/90/77/87/1007907787.db2.gz PTOMPVABRZMYLP-JKSUJKDBSA-N 1 0 353.466 2.971 20 10 FFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818965690 1007980487 /nfs/dbraw/zinc/98/04/87/1007980487.db2.gz CYFSUNPBOPNDGO-GOSISDBHSA-N 1 0 374.456 2.500 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966636 1007981568 /nfs/dbraw/zinc/98/15/68/1007981568.db2.gz LYHMJOTTYLPUAU-XYJFISCASA-N 1 0 368.493 2.562 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985048 1008001917 /nfs/dbraw/zinc/00/19/17/1008001917.db2.gz MFEHZJGHHOKGST-KRWDZBQOSA-N 1 0 362.445 2.568 20 10 FFCDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819077652 1008037997 /nfs/dbraw/zinc/03/79/97/1008037997.db2.gz MHRQTOGANMIHDW-LJQANCHMSA-N 1 0 358.482 2.989 20 10 FFCDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819165212 1008054806 /nfs/dbraw/zinc/05/48/06/1008054806.db2.gz QIFWSFDNWLDTND-HZPDHXFCSA-N 1 0 373.497 2.913 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)CCN(C)c3cc[nH+]cc3)C2)cc1 ZINC000819587397 1008185057 /nfs/dbraw/zinc/18/50/57/1008185057.db2.gz ZAZACCIVOGREGP-KRWDZBQOSA-N 1 0 368.481 2.559 20 10 FFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000820098612 1008285261 /nfs/dbraw/zinc/28/52/61/1008285261.db2.gz BRMIYDRRYJGNFL-NRFANRHFSA-N 1 0 371.525 2.528 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1F ZINC000858092762 1008300683 /nfs/dbraw/zinc/30/06/83/1008300683.db2.gz IPIOYASWNTUQDM-UHFFFAOYSA-N 1 0 357.408 2.960 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)[C@@H](C)C1 ZINC000858226918 1008328563 /nfs/dbraw/zinc/32/85/63/1008328563.db2.gz QROZXAMLRZUKQB-FUHWJXTLSA-N 1 0 363.502 2.637 20 10 FFCDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000858677223 1008402110 /nfs/dbraw/zinc/40/21/10/1008402110.db2.gz CWJKUOFABSODQY-QGZVFWFLSA-N 1 0 353.466 2.978 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)cc1Cn1cccn1 ZINC000886329080 1008639529 /nfs/dbraw/zinc/63/95/29/1008639529.db2.gz YAKPGFOSYRQHCG-LRQRDZAKSA-N 1 0 371.481 2.756 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773702501 1008696342 /nfs/dbraw/zinc/69/63/42/1008696342.db2.gz OYRWSZVUAXINES-MOPGFXCFSA-N 1 0 359.514 2.507 20 10 FFCDRO O=C(NC1CC1)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC001177712276 1008722879 /nfs/dbraw/zinc/72/28/79/1008722879.db2.gz FVOXKKJBSGLQQM-UHFFFAOYSA-N 1 0 365.477 2.705 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[N@H+](C)C3CCCC3)C2)cc1 ZINC000822973439 1008846233 /nfs/dbraw/zinc/84/62/33/1008846233.db2.gz VQFDUOHFJSOJBC-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747008 1008856889 /nfs/dbraw/zinc/85/68/89/1008856889.db2.gz IPROWUSFZOEFRN-MRXNPFEDSA-N 1 0 359.514 2.683 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccnc43)cc2)CC1 ZINC000886751726 1008862138 /nfs/dbraw/zinc/86/21/38/1008862138.db2.gz ZUAACQMVCCHQDW-LJQANCHMSA-N 1 0 350.466 2.560 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823025081 1008895597 /nfs/dbraw/zinc/89/55/97/1008895597.db2.gz FXXZSZGRFZEOQT-HKUYNNGSSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000823247493 1008995117 /nfs/dbraw/zinc/99/51/17/1008995117.db2.gz GGTOGRYYMHSEHQ-ZWKOTPCHSA-N 1 0 374.529 2.551 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)cc1 ZINC000823378028 1009037849 /nfs/dbraw/zinc/03/78/49/1009037849.db2.gz CLZBPSQPJXGZFE-LMMKCTJWSA-N 1 0 374.529 2.694 20 10 FFCDRO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000140589365 1009122881 /nfs/dbraw/zinc/12/28/81/1009122881.db2.gz HKTJEQAADXBWRY-NRFANRHFSA-N 1 0 367.493 2.832 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)cc1 ZINC000823775968 1009224295 /nfs/dbraw/zinc/22/42/95/1009224295.db2.gz JBVXAAICYYXSNZ-QGZVFWFLSA-N 1 0 357.498 2.514 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3COc4cc(F)ccc4C3)cc2F)CC1 ZINC001179192987 1009286905 /nfs/dbraw/zinc/28/69/05/1009286905.db2.gz BXWBJRDRXITBMF-GOSISDBHSA-N 1 0 373.447 2.810 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCc2cncn2C1 ZINC000861663895 1009500765 /nfs/dbraw/zinc/50/07/65/1009500765.db2.gz OTFZJVADXOFKBO-QGZVFWFLSA-N 1 0 362.433 2.848 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000118721781 1009699396 /nfs/dbraw/zinc/69/93/96/1009699396.db2.gz KSVZRVSFHSFCOI-UHFFFAOYSA-N 1 0 355.482 2.671 20 10 FFCDRO CN1C[C@H]([N@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000862428419 1009840229 /nfs/dbraw/zinc/84/02/29/1009840229.db2.gz PZSZVIPLMUGUGL-MRXNPFEDSA-N 1 0 360.458 2.638 20 10 FFCDRO COc1cccc(C[NH+]2CCN(Cc3cc(F)ccc3OC)CC2)c1O ZINC000119218597 1010070943 /nfs/dbraw/zinc/07/09/43/1010070943.db2.gz MWRMDEUMYOBPMD-UHFFFAOYSA-N 1 0 360.429 2.866 20 10 FFCDRO CC[C@H](F)C[N@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC001093240888 1010147134 /nfs/dbraw/zinc/14/71/34/1010147134.db2.gz MEAKWYWVEZPLAI-YUELXQCFSA-N 1 0 363.437 2.895 20 10 FFCDRO Nc1ccc(OCc2cn(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2)cc1 ZINC000864633564 1010536366 /nfs/dbraw/zinc/53/63/66/1010536366.db2.gz DNXUUTSZIXFXIZ-GOSISDBHSA-N 1 0 363.465 2.961 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](n3cncn3)C(F)(F)F)CC2)cc1 ZINC000865682007 1010841340 /nfs/dbraw/zinc/84/13/40/1010841340.db2.gz DOPBONYSLBGUAM-INIZCTEOSA-N 1 0 369.391 2.649 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@]3(C)CCOC3)C[C@H]2C)cc1C ZINC001094134622 1010880310 /nfs/dbraw/zinc/88/03/10/1010880310.db2.gz DZGZZYIFEAKYJR-HGHGUNKESA-N 1 0 360.498 2.614 20 10 FFCDRO CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000121089472 1011005397 /nfs/dbraw/zinc/00/53/97/1011005397.db2.gz UTDOPVYUXKCVPG-LJQANCHMSA-N 1 0 353.466 2.782 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000866522781 1011009417 /nfs/dbraw/zinc/00/94/17/1011009417.db2.gz YYNDDEHGKLTANN-CZUORRHYSA-N 1 0 374.359 2.673 20 10 FFCDRO CC(C)[C@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000868149266 1011182185 /nfs/dbraw/zinc/18/21/85/1011182185.db2.gz ZHURASNDXGVHAM-YLJYHZDGSA-N 1 0 374.529 2.566 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)c(OC)c1 ZINC000868166189 1011188521 /nfs/dbraw/zinc/18/85/21/1011188521.db2.gz IKAUKTFAVRVQOX-UHFFFAOYSA-N 1 0 370.453 2.517 20 10 FFCDRO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000777437924 1011291256 /nfs/dbraw/zinc/29/12/56/1011291256.db2.gz JFSDSMJOTNUBQQ-NRFANRHFSA-N 1 0 374.431 2.895 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275027278 1011826946 /nfs/dbraw/zinc/82/69/46/1011826946.db2.gz SFFXZJLXXCQBEI-IIBYNOLFSA-N 1 0 357.498 2.738 20 10 FFCDRO CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001275033393 1011838286 /nfs/dbraw/zinc/83/82/86/1011838286.db2.gz ANUVWVBSBZDRDS-RXVVDRJESA-N 1 0 352.434 2.546 20 10 FFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001275253577 1012152559 /nfs/dbraw/zinc/15/25/59/1012152559.db2.gz CWXYDXOQTYEEFA-FQEVSTJZSA-N 1 0 360.454 2.542 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1 ZINC001275254267 1012156352 /nfs/dbraw/zinc/15/63/52/1012156352.db2.gz NFTANVYJCZXWLS-CQSZACIVSA-N 1 0 372.387 2.681 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(CC2CCCC2)C(=O)CO3)c(O)c1 ZINC001275388897 1012406427 /nfs/dbraw/zinc/40/64/27/1012406427.db2.gz XQJLHKCCUTYQAS-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO COc1ccc(C(=O)N2CCC([NH2+]CCc3ccc(O)c(O)c3)CC2)cc1 ZINC001173400316 1012529756 /nfs/dbraw/zinc/52/97/56/1012529756.db2.gz ZPFJPOGKMITALM-UHFFFAOYSA-N 1 0 370.449 2.543 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000828258241 1032641045 /nfs/dbraw/zinc/64/10/45/1032641045.db2.gz AOEOUDRNQOLZJR-VCDPDADVSA-N 1 0 359.426 2.702 20 10 FFCDRO [NH3+][C@H]1CC[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000870878745 1012617812 /nfs/dbraw/zinc/61/78/12/1012617812.db2.gz KCBIUADIUFTEPY-OKILXGFUSA-N 1 0 367.440 2.891 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275599151 1012670950 /nfs/dbraw/zinc/67/09/50/1012670950.db2.gz YUVDDIQACAPXQQ-IIBYNOLFSA-N 1 0 357.498 2.687 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)cc1 ZINC001275598175 1012675924 /nfs/dbraw/zinc/67/59/24/1012675924.db2.gz NBRDSFYOPYFPFY-FQEVSTJZSA-N 1 0 354.454 2.508 20 10 FFCDRO O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001275671662 1012816572 /nfs/dbraw/zinc/81/65/72/1012816572.db2.gz JCJKNYXJIBEFBJ-UHFFFAOYSA-N 1 0 372.387 2.865 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)CN1CC(F)F ZINC001275673472 1012819314 /nfs/dbraw/zinc/81/93/14/1012819314.db2.gz YPWLBRFGMDSZFP-UHFFFAOYSA-N 1 0 354.397 2.568 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(C)C)C3)cc(O)c1O ZINC001275676515 1012829624 /nfs/dbraw/zinc/82/96/24/1012829624.db2.gz PLCYLGHOKPUUNW-HXUWFJFHSA-N 1 0 362.470 2.719 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)C1 ZINC000924727343 1017451943 /nfs/dbraw/zinc/45/19/43/1017451943.db2.gz FFLBVAHHRDSYJG-SFHLNBCPSA-N 1 0 371.525 2.683 20 10 FFCDRO C[NH+](C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1cccc(F)c1 ZINC000925279932 1017690057 /nfs/dbraw/zinc/69/00/57/1017690057.db2.gz ZFQSBPXALRIOIU-KRWDZBQOSA-N 1 0 371.412 2.598 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000749115630 1018176711 /nfs/dbraw/zinc/17/67/11/1018176711.db2.gz JJCWFMFBCAOUQW-XLIONFOSSA-N 1 0 360.546 2.516 20 10 FFCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926874874 1018276122 /nfs/dbraw/zinc/27/61/22/1018276122.db2.gz XPDCLUHQXZPAMD-NQIIRXRSSA-N 1 0 361.530 2.808 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC000926874926 1018277053 /nfs/dbraw/zinc/27/70/53/1018277053.db2.gz YIXVBCBBDTXBHO-NRFANRHFSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725710 1018630751 /nfs/dbraw/zinc/63/07/51/1018630751.db2.gz MKEFXUKQJOKJQN-XHNZRGJOSA-N 1 0 371.525 2.854 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000801598625 1019159277 /nfs/dbraw/zinc/15/92/77/1019159277.db2.gz DHBATQNBQRSZPJ-GOSISDBHSA-N 1 0 356.470 2.923 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2c(O)cccc2OC)N2CCOCC2)cc1 ZINC000725841530 1020270315 /nfs/dbraw/zinc/27/03/15/1020270315.db2.gz MGQVVKSCXJBDBV-LJQANCHMSA-N 1 0 372.465 2.573 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000828882867 1032888286 /nfs/dbraw/zinc/88/82/86/1032888286.db2.gz FCXAONVGSIRVEG-ICSRJNTNSA-N 1 0 359.514 2.602 20 10 FFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000800477047 1020345840 /nfs/dbraw/zinc/34/58/40/1020345840.db2.gz QNLPQHWIFUFUET-BJLQDIEVSA-N 1 0 359.514 2.683 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(F)ccc1O ZINC000800993758 1020691169 /nfs/dbraw/zinc/69/11/69/1020691169.db2.gz NBQUVXGRNLGEBK-GDBMZVCRSA-N 1 0 358.413 2.862 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[NH2+]CCC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001217980251 1032931171 /nfs/dbraw/zinc/93/11/71/1032931171.db2.gz KHQKBPCESOGQPI-NVXWUHKLSA-N 1 0 369.392 2.945 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[NH2+]CCC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217980248 1032931897 /nfs/dbraw/zinc/93/18/97/1032931897.db2.gz KHQKBPCESOGQPI-DOTOQJQBSA-N 1 0 369.392 2.945 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001217988453 1032935491 /nfs/dbraw/zinc/93/54/91/1032935491.db2.gz OITOQVDTCADTLJ-BLLLJJGKSA-N 1 0 351.402 2.935 20 10 FFCDRO CCOCCO[C@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000749806418 1021039485 /nfs/dbraw/zinc/03/94/85/1021039485.db2.gz LUKPYIQIFMBLMB-INIZCTEOSA-N 1 0 373.449 2.959 20 10 FFCDRO O=C1c2cccc(O[C@@H]3CC[NH2+]CC[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218020859 1032958546 /nfs/dbraw/zinc/95/85/46/1032958546.db2.gz WHJPXDWZYZRFKV-DZGCQCFKSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001116762771 1021401416 /nfs/dbraw/zinc/40/14/16/1021401416.db2.gz GYBNLABEGGBJIC-DYESRHJHSA-N 1 0 367.493 2.990 20 10 FFCDRO COc1ccc(O)c(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000934943433 1021479753 /nfs/dbraw/zinc/47/97/53/1021479753.db2.gz TVOPHXWDYJCDIL-WDZFZDKYSA-N 1 0 370.449 2.671 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145167 1033017518 /nfs/dbraw/zinc/01/75/18/1033017518.db2.gz ZZNHBFNPPGQABZ-PZPSRYQVSA-N 1 0 363.413 2.935 20 10 FFCDRO COc1ccc(N2CC[C@H](CNc3nc(N)[nH+]c4c3CCCC4)C2)cc1 ZINC001118123963 1022076709 /nfs/dbraw/zinc/07/67/09/1022076709.db2.gz RIJXGCGNIDHKAB-CQSZACIVSA-N 1 0 353.470 2.885 20 10 FFCDRO O=c1cc2[nH]c(-c3ccccc3)cc(O)c-2c(O[C@@H]2CCC[NH2+]C2)c1O ZINC001218286629 1033085302 /nfs/dbraw/zinc/08/53/02/1033085302.db2.gz HQWATFUEUUTNPV-CYBMUJFWSA-N 1 0 352.390 2.737 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cn4ccnc4s3)cc2F)CC1 ZINC001119940568 1023172543 /nfs/dbraw/zinc/17/25/43/1023172543.db2.gz DWTLYSYGWGSDMM-UHFFFAOYSA-N 1 0 360.458 2.786 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)[C@H](C)C3)cc2F)CC1 ZINC000752953235 1023233684 /nfs/dbraw/zinc/23/36/84/1023233684.db2.gz JSMRIIGNMQDXIR-HZPDHXFCSA-N 1 0 362.493 2.765 20 10 FFCDRO OCCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOCC1 ZINC000753546956 1023350724 /nfs/dbraw/zinc/35/07/24/1023350724.db2.gz SCCCVCQLQMUNIE-UHFFFAOYSA-N 1 0 357.450 2.992 20 10 FFCDRO Cc1ccc(N2CCC[C@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C2)nc1 ZINC001218390166 1033134673 /nfs/dbraw/zinc/13/46/73/1033134673.db2.gz GKLWRRANJBSTLK-FQEVSTJZSA-N 1 0 352.482 2.847 20 10 FFCDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218426790 1033148410 /nfs/dbraw/zinc/14/84/10/1033148410.db2.gz XWPSZXDDXQEWRH-NHYWBVRUSA-N 1 0 366.373 2.747 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC000756593235 1023732836 /nfs/dbraw/zinc/73/28/36/1023732836.db2.gz WXIJAWHFHXRMAG-MSOLQXFVSA-N 1 0 354.498 2.957 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756858172 1023760368 /nfs/dbraw/zinc/76/03/68/1023760368.db2.gz RECGZYICVIWSNQ-LPHOPBHVSA-N 1 0 356.466 2.725 20 10 FFCDRO O=C(c1ccccc1)N1CCO[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137835606 1033174431 /nfs/dbraw/zinc/17/44/31/1033174431.db2.gz KWBBYKTYOKNWPW-OXQOHEQNSA-N 1 0 370.424 2.504 20 10 FFCDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3ccc(N4CCSCC4)cc3)ccc21 ZINC001121987963 1024238037 /nfs/dbraw/zinc/23/80/37/1024238037.db2.gz GETYWVGXNJWSEO-HNNXBMFYSA-N 1 0 370.522 2.636 20 10 FFCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000779600045 1024251272 /nfs/dbraw/zinc/25/12/72/1024251272.db2.gz VMRUCNGEPZCJPY-UHFFFAOYSA-N 1 0 366.461 2.868 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC13CCCCC3)cc2=O ZINC000759385584 1024589732 /nfs/dbraw/zinc/58/97/32/1024589732.db2.gz BXNIQLGSBYQTIM-UHFFFAOYSA-N 1 0 358.442 2.910 20 10 FFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000759585123 1024673836 /nfs/dbraw/zinc/67/38/36/1024673836.db2.gz XTFZEDAJWICSAQ-MOPGFXCFSA-N 1 0 361.530 2.894 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1O ZINC000759754391 1024767715 /nfs/dbraw/zinc/76/77/15/1024767715.db2.gz DULRMCBTUCUJLC-FQEVSTJZSA-N 1 0 357.406 2.717 20 10 FFCDRO CC(C)OCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001111481343 1024891348 /nfs/dbraw/zinc/89/13/48/1024891348.db2.gz HYHQSPBYFOBOGB-ZACQAIPSSA-N 1 0 373.457 2.609 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(CC3)OC(=O)c3ccncc34)ccc21 ZINC001141144171 1025518040 /nfs/dbraw/zinc/51/80/40/1025518040.db2.gz CJKXVIYBWVBBIH-UHFFFAOYSA-N 1 0 365.433 2.572 20 10 FFCDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141146220 1025523289 /nfs/dbraw/zinc/52/32/89/1025523289.db2.gz OURYAHHPZFYFNS-QGZVFWFLSA-N 1 0 354.454 2.657 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c1 ZINC001141158571 1025541003 /nfs/dbraw/zinc/54/10/03/1025541003.db2.gz FKDZARHTOXCVRF-UHFFFAOYSA-N 1 0 352.394 2.922 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3cc(O)ccc3O)C2)CC1 ZINC001141159915 1025543332 /nfs/dbraw/zinc/54/33/32/1025543332.db2.gz NELJSMNSCVZLMO-UHFFFAOYSA-N 1 0 367.449 2.621 20 10 FFCDRO CC[C@@H](C)[NH+]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000838190373 1026250871 /nfs/dbraw/zinc/25/08/71/1026250871.db2.gz DZPBSHVEKLVIJQ-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc(C2CC2)[nH]1 ZINC000838895069 1026526810 /nfs/dbraw/zinc/52/68/10/1026526810.db2.gz LAPFTLFRKHJZGI-KRWDZBQOSA-N 1 0 355.438 2.946 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1 ZINC000839640856 1026770300 /nfs/dbraw/zinc/77/03/00/1026770300.db2.gz REGCPIRSQCOHAD-QGZVFWFLSA-N 1 0 353.466 2.687 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000840128812 1026971348 /nfs/dbraw/zinc/97/13/48/1026971348.db2.gz VCMUWZZOHVIFTG-OCCSQVGLSA-N 1 0 372.387 2.552 20 10 FFCDRO C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@H+](Cc2ccccc2)C1 ZINC000840136834 1026975268 /nfs/dbraw/zinc/97/52/68/1026975268.db2.gz WTCCSZHILRHUDS-IERDGZPVSA-N 1 0 368.477 2.772 20 10 FFCDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000840151959 1026986135 /nfs/dbraw/zinc/98/61/35/1026986135.db2.gz KPZKLFHEEJHINA-UHFFFAOYSA-N 1 0 368.437 2.896 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccn(C)n1 ZINC000840733279 1027233785 /nfs/dbraw/zinc/23/37/85/1027233785.db2.gz PFXIVWDMGFLDFC-QGZVFWFLSA-N 1 0 353.514 2.803 20 10 FFCDRO CCOc1ccc(O)c(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000092665987 1027395837 /nfs/dbraw/zinc/39/58/37/1027395837.db2.gz CXACXAWTASMWFI-ROUUACIJSA-N 1 0 361.530 2.781 20 10 FFCDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161532929 1028218637 /nfs/dbraw/zinc/21/86/37/1028218637.db2.gz ZTNTYZSLECSZMA-BBRMVZONSA-N 1 0 371.403 2.622 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000780706149 1028776207 /nfs/dbraw/zinc/77/62/07/1028776207.db2.gz LPYSLAIDKWOJOK-RTBURBONSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc(OC)n1 ZINC001155630210 1028825738 /nfs/dbraw/zinc/82/57/38/1028825738.db2.gz TVRDSPTUSNDDQG-TVKQPGBESA-N 1 0 370.497 2.893 20 10 FFCDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1C(=O)OC(C)(C)C ZINC000690922917 1028905894 /nfs/dbraw/zinc/90/58/94/1028905894.db2.gz QCZLNNGIBFZLHZ-GXTWGEPZSA-N 1 0 364.442 2.999 20 10 FFCDRO COCc1ccc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC001156262923 1029118449 /nfs/dbraw/zinc/11/84/49/1029118449.db2.gz JAFKDKCMDWFLIR-UHFFFAOYSA-N 1 0 370.497 2.861 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(OC)cn3)CC2)cc1 ZINC001164327510 1029246795 /nfs/dbraw/zinc/24/67/95/1029246795.db2.gz JPUNESOPBKURPM-UHFFFAOYSA-N 1 0 356.470 2.723 20 10 FFCDRO CCOC(=O)c1cc(C)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655511 1029290827 /nfs/dbraw/zinc/29/08/27/1029290827.db2.gz GDQAZZSMOJBOBD-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO Cc1nc2nc(Cl)nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2[nH]1 ZINC001156655812 1029291929 /nfs/dbraw/zinc/29/19/29/1029291929.db2.gz LNAMDTBQAIUZKD-UHFFFAOYSA-N 1 0 371.876 2.630 20 10 FFCDRO Cc1c(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1[N+](=O)[O-] ZINC001156658213 1029293024 /nfs/dbraw/zinc/29/30/24/1029293024.db2.gz VIEZUNWPVFBFQE-UHFFFAOYSA-N 1 0 355.442 2.971 20 10 FFCDRO CCOC(=O)c1c[nH]c2cc(NCCc3cc(O)c(O)cc3O)[nH+]cc21 ZINC001157245149 1029520277 /nfs/dbraw/zinc/52/02/77/1029520277.db2.gz MNWFIWLWXMRIDH-UHFFFAOYSA-N 1 0 357.366 2.511 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000694750826 1029839108 /nfs/dbraw/zinc/83/91/08/1029839108.db2.gz BHVZIBUAIMFZER-IEBWSBKVSA-N 1 0 369.509 2.868 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000840951526 1029942288 /nfs/dbraw/zinc/94/22/88/1029942288.db2.gz YFTJSEOANPDJKX-HZPDHXFCSA-N 1 0 369.431 2.904 20 10 FFCDRO CNC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000840975048 1029957777 /nfs/dbraw/zinc/95/77/77/1029957777.db2.gz SYBUKBCIAIIDTQ-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000783226241 1029980505 /nfs/dbraw/zinc/98/05/05/1029980505.db2.gz YZCOKFWEHVIKDX-CRAIPNDOSA-N 1 0 355.461 2.830 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(C)(C)O3)cc2F)CC1 ZINC000783321663 1030030626 /nfs/dbraw/zinc/03/06/26/1030030626.db2.gz IPSQAYBSGQEDGS-SFHVURJKSA-N 1 0 363.477 2.541 20 10 FFCDRO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841747034 1030444934 /nfs/dbraw/zinc/44/49/34/1030444934.db2.gz NFZHGZFOCHBSSV-INIZCTEOSA-N 1 0 352.482 2.557 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841779231 1030461005 /nfs/dbraw/zinc/46/10/05/1030461005.db2.gz OAOASZCKUBHJIL-HXUWFJFHSA-N 1 0 374.529 2.871 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000841997692 1030572824 /nfs/dbraw/zinc/57/28/24/1030572824.db2.gz OSNMCWZFYJOPNT-SCLBCKFNSA-N 1 0 355.438 2.648 20 10 FFCDRO Cc1cc(C(=O)CN2CCCO[C@@H](C[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000842479243 1030751727 /nfs/dbraw/zinc/75/17/27/1030751727.db2.gz RBNOAUNAWHRIRY-IBGZPJMESA-N 1 0 355.482 2.635 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3ccccc3O)CC2)CN1c1ccccc1 ZINC001203551969 1030761552 /nfs/dbraw/zinc/76/15/52/1030761552.db2.gz VKRUFQLKSNJWCO-UHFFFAOYSA-N 1 0 352.434 2.790 20 10 FFCDRO COC[C@@H]1CC2(CN1c1ncccn1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552968 1030762488 /nfs/dbraw/zinc/76/24/88/1030762488.db2.gz XCMZEQZOAPEUCC-SFHVURJKSA-N 1 0 368.481 2.690 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1O ZINC001203594409 1030779342 /nfs/dbraw/zinc/77/93/42/1030779342.db2.gz YJHRWVVLAOMHGH-ZBFHGGJFSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c(O)c1 ZINC001203621460 1030789108 /nfs/dbraw/zinc/78/91/08/1030789108.db2.gz VBNFFKIPCKUMFK-CQSZACIVSA-N 1 0 354.422 2.792 20 10 FFCDRO COc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c(O)c1 ZINC001203622795 1030790308 /nfs/dbraw/zinc/79/03/08/1030790308.db2.gz BSUCXIGJPLSCOP-INIZCTEOSA-N 1 0 357.454 2.656 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2)N1CCOCC1 ZINC001203657315 1030808918 /nfs/dbraw/zinc/80/89/18/1030808918.db2.gz CMVFUCPHOHNDMN-MRXNPFEDSA-N 1 0 364.873 2.507 20 10 FFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]2CCCO[C@H]12 ZINC001203878528 1030952042 /nfs/dbraw/zinc/95/20/42/1030952042.db2.gz VENBZNHCLLMBPY-CDXJDZJCSA-N 1 0 372.465 2.802 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)[C@@H]1c1ccccc1 ZINC001203878067 1030952673 /nfs/dbraw/zinc/95/26/73/1030952673.db2.gz APYNQWALVWNKSD-IBGZPJMESA-N 1 0 352.434 2.893 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1O ZINC001203877877 1030953521 /nfs/dbraw/zinc/95/35/21/1030953521.db2.gz YFVGOEXVWDHHTN-WMZOPIPTSA-N 1 0 358.413 2.574 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC001203931386 1030990871 /nfs/dbraw/zinc/99/08/71/1030990871.db2.gz GOVFKXBQFPJCFZ-NRFANRHFSA-N 1 0 350.466 2.777 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](CCOC)C2CCN(C(C)=O)CC2)cc1 ZINC001203939973 1030998385 /nfs/dbraw/zinc/99/83/85/1030998385.db2.gz YXHWAJBWYNKERM-UHFFFAOYSA-N 1 0 361.530 2.992 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000842882931 1031019702 /nfs/dbraw/zinc/01/97/02/1031019702.db2.gz BXFWTAHKIIOWBT-RHSMWYFYSA-N 1 0 363.477 2.712 20 10 FFCDRO [NH3+]CCN(CCc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843121733 1031191820 /nfs/dbraw/zinc/19/18/20/1031191820.db2.gz JCZVGRNWCVHPNK-UHFFFAOYSA-N 1 0 357.473 2.666 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c(O)c1 ZINC001204272674 1031199012 /nfs/dbraw/zinc/19/90/12/1031199012.db2.gz GMFYURHCQIIREQ-PZJWPPBQSA-N 1 0 370.449 2.833 20 10 FFCDRO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccc(O)cc2O)n1 ZINC001204273390 1031199681 /nfs/dbraw/zinc/19/96/81/1031199681.db2.gz ORBDAGKCJWPCOL-CEWLAPEOSA-N 1 0 370.449 2.750 20 10 FFCDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(O)cc4O)C3)C2)n1 ZINC001204274184 1031202418 /nfs/dbraw/zinc/20/24/18/1031202418.db2.gz LECFVFIUNUSBGF-CTNGQTDRSA-N 1 0 370.449 2.751 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4n[nH]cc43)CC2)c(OC)c1 ZINC001143099008 1031230992 /nfs/dbraw/zinc/23/09/92/1031230992.db2.gz IWWFGQZYMXERQE-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204340359 1031236908 /nfs/dbraw/zinc/23/69/08/1031236908.db2.gz NRUYRISTUSGKJW-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(-c2noc(Cc3ccc(N)cc3)n2)ccc1OCC[NH+](C)C ZINC000843200318 1031239559 /nfs/dbraw/zinc/23/95/59/1031239559.db2.gz DEUSXQFUKQWQDC-UHFFFAOYSA-N 1 0 368.437 2.859 20 10 FFCDRO COc1cccc(/C(C)=C\C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299530 1031298594 /nfs/dbraw/zinc/29/85/94/1031298594.db2.gz XIOJQVRKELTYJI-LFDGNKEFSA-N 1 0 353.466 2.981 20 10 FFCDRO Cc1ccccc1C[C@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350319 1031345441 /nfs/dbraw/zinc/34/54/41/1031345441.db2.gz MMNQVTDLYIVHIQ-KRWDZBQOSA-N 1 0 351.494 2.954 20 10 FFCDRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000843488080 1031425998 /nfs/dbraw/zinc/42/59/98/1031425998.db2.gz PWMVQBYPLQLKIT-QAPCUYQASA-N 1 0 370.449 2.763 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)cc1 ZINC000843503921 1031433659 /nfs/dbraw/zinc/43/36/59/1031433659.db2.gz CCSBCYNIRPQLEV-GJJHYRHESA-N 1 0 357.498 2.558 20 10 FFCDRO CCOC(=O)c1c(CN2CCC(F)(F)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205788941 1031995512 /nfs/dbraw/zinc/99/55/12/1031995512.db2.gz TWNBUYFTNWTKII-CYBMUJFWSA-N 1 0 365.424 2.771 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cs2)cc1 ZINC000830240026 1033530046 /nfs/dbraw/zinc/53/00/46/1033530046.db2.gz GBYNSFAMXOPQCH-MRXNPFEDSA-N 1 0 370.522 2.874 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000830953999 1033878223 /nfs/dbraw/zinc/87/82/23/1033878223.db2.gz QHDIHTNOLFNPEK-HBMCJLEFSA-N 1 0 373.541 2.727 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 ZINC000831578067 1034131932 /nfs/dbraw/zinc/13/19/32/1034131932.db2.gz WEYSGFHFNVSWMS-JKSUJKDBSA-N 1 0 369.431 2.985 20 10 FFCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001138343081 1034174911 /nfs/dbraw/zinc/17/49/11/1034174911.db2.gz XFYOHMPDJDBBKP-UHFFFAOYSA-N 1 0 351.450 2.750 20 10 FFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138494672 1034331986 /nfs/dbraw/zinc/33/19/86/1034331986.db2.gz FFWZPFNIQRDEGN-LJQANCHMSA-N 1 0 359.514 2.604 20 10 FFCDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138496557 1034334182 /nfs/dbraw/zinc/33/41/82/1034334182.db2.gz TYGHOMFRZFNVKJ-IAGOWNOFSA-N 1 0 358.404 2.658 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001138496474 1034335596 /nfs/dbraw/zinc/33/55/96/1034335596.db2.gz QWFOMGKXXZBTSP-PBHICJAKSA-N 1 0 358.404 2.658 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)[C@H]1CCCOC1 ZINC001138677499 1034537574 /nfs/dbraw/zinc/53/75/74/1034537574.db2.gz JTSMPZXAOGQKKO-HNNXBMFYSA-N 1 0 369.303 2.897 20 10 FFCDRO C[N@H+](Cc1ccc(OCCO)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138797698 1034676056 /nfs/dbraw/zinc/67/60/56/1034676056.db2.gz BVRHSJPECNLCBG-UHFFFAOYSA-N 1 0 356.466 2.526 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)nc2-c2cccs2)cc1 ZINC000832267615 1034689919 /nfs/dbraw/zinc/68/99/19/1034689919.db2.gz XTADOSBZGAUWEG-INIZCTEOSA-N 1 0 369.494 2.644 20 10 FFCDRO C[C@@H]([C@H](Oc1c(O)c(O)c(O)c(O)c1O)c1ccccc1)[NH+]1CCCC1 ZINC001226465263 1034695859 /nfs/dbraw/zinc/69/58/59/1034695859.db2.gz RGJABHXAZBFRCW-VOJFVSQTSA-N 1 0 361.394 2.819 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2OCC2CC2)cc1 ZINC000832278886 1034697992 /nfs/dbraw/zinc/69/79/92/1034697992.db2.gz FNSFGBYUEMSMDU-IBGZPJMESA-N 1 0 353.466 2.971 20 10 FFCDRO Cc1cc(C)c(OCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000832283990 1034700530 /nfs/dbraw/zinc/70/05/30/1034700530.db2.gz FFXALQQINPEDKN-IBGZPJMESA-N 1 0 355.482 2.873 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)ccc1N(C)C ZINC001139670645 1035193385 /nfs/dbraw/zinc/19/33/85/1035193385.db2.gz NVHZAVHLHDGTAM-NRFANRHFSA-N 1 0 372.513 2.649 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)ccc1N(C)C ZINC001139673562 1035194365 /nfs/dbraw/zinc/19/43/65/1035194365.db2.gz SNJWHQDGXFBTHE-GOSISDBHSA-N 1 0 361.530 2.957 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140101970 1035341914 /nfs/dbraw/zinc/34/19/14/1035341914.db2.gz GBUWBWBCSJLMGF-NSHDSACASA-N 1 0 350.216 2.598 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1O ZINC001140180399 1035369712 /nfs/dbraw/zinc/36/97/12/1035369712.db2.gz WFTWPZWCNYFNQP-UHFFFAOYSA-N 1 0 351.450 2.752 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)c1O ZINC001140180033 1035369994 /nfs/dbraw/zinc/36/99/94/1035369994.db2.gz HVDWGKFPPGOFFG-KPLVRAHFSA-N 1 0 372.509 2.905 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c1O ZINC001140181738 1035370628 /nfs/dbraw/zinc/37/06/28/1035370628.db2.gz WHSOHRFXOJNOSA-UHFFFAOYSA-N 1 0 356.470 2.933 20 10 FFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC001140286225 1035419467 /nfs/dbraw/zinc/41/94/67/1035419467.db2.gz AYNSEWHVRWSDMO-QGZVFWFLSA-N 1 0 370.497 2.973 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCN(c4nccs4)CC3)cc2)CC1 ZINC001140299651 1035424108 /nfs/dbraw/zinc/42/41/08/1035424108.db2.gz DITNDTAFXOZZGT-UHFFFAOYSA-N 1 0 371.554 2.607 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000835026921 1035489770 /nfs/dbraw/zinc/48/97/70/1035489770.db2.gz YXMXPSQAUNMKLQ-ONEGZZNKSA-N 1 0 364.493 2.687 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835035591 1035490737 /nfs/dbraw/zinc/49/07/37/1035490737.db2.gz LEASEHWGJZUQSU-ALCCZGGFSA-N 1 0 353.466 2.680 20 10 FFCDRO CC(C)C[NH+]1CCN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232197435 1035494977 /nfs/dbraw/zinc/49/49/77/1035494977.db2.gz ZKLRKWLFBIUVJC-UHFFFAOYSA-N 1 0 351.922 2.950 20 10 FFCDRO O[C@]1(CF)CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232195784 1035495293 /nfs/dbraw/zinc/49/52/93/1035495293.db2.gz YZCZBMZIIBXLBN-GOSISDBHSA-N 1 0 356.869 2.863 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1F ZINC000835067359 1035505724 /nfs/dbraw/zinc/50/57/24/1035505724.db2.gz QCYBSLBFLSCLEC-HNNXBMFYSA-N 1 0 367.465 2.617 20 10 FFCDRO O=C1OC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)c2cnccc21 ZINC001232263048 1035536204 /nfs/dbraw/zinc/53/62/04/1035536204.db2.gz DFGQTNNKDKDHCQ-UHFFFAOYSA-N 1 0 360.797 2.808 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1Cl ZINC001232271409 1035541287 /nfs/dbraw/zinc/54/12/87/1035541287.db2.gz VFORZFIRLJVDMB-GFCCVEGCSA-N 1 0 353.781 2.637 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001140620335 1035746444 /nfs/dbraw/zinc/74/64/44/1035746444.db2.gz KEDXASKVMMDJER-VQTJNVASSA-N 1 0 353.466 2.571 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001140623381 1035751045 /nfs/dbraw/zinc/75/10/45/1035751045.db2.gz PAMYAOGXYQSYGC-DLBZAZTESA-N 1 0 362.470 2.911 20 10 FFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660133 1035810319 /nfs/dbraw/zinc/81/03/19/1035810319.db2.gz HDUWOKUTWTZAMK-INIZCTEOSA-N 1 0 364.461 2.828 20 10 FFCDRO C[C@@H](C[NH+](C)C)Oc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228189517 1035983357 /nfs/dbraw/zinc/98/33/57/1035983357.db2.gz DQBWBCNERVEGAU-APPDUMDISA-N 1 0 373.405 2.839 20 10 FFCDRO Cc1c(O)ccc(CN2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC001140742456 1036031023 /nfs/dbraw/zinc/03/10/23/1036031023.db2.gz OZHPTVSUSLMXOR-HNNXBMFYSA-N 1 0 366.458 2.522 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1O ZINC001140745755 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CCc1ccc(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c(O)c1 ZINC001236792859 1038273359 /nfs/dbraw/zinc/27/33/59/1038273359.db2.gz SJIVXUXAINOQLD-UHFFFAOYSA-N 1 0 364.449 2.897 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c(Cl)c1 ZINC001236797521 1038276625 /nfs/dbraw/zinc/27/66/25/1038276625.db2.gz ODWDSQVQVZHAIC-SFHVURJKSA-N 1 0 360.845 2.699 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC001236806198 1038282276 /nfs/dbraw/zinc/28/22/76/1038282276.db2.gz PWXMIJZEQYSQKZ-UHFFFAOYSA-N 1 0 367.877 2.824 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c(O)c1 ZINC001236810396 1038286574 /nfs/dbraw/zinc/28/65/74/1038286574.db2.gz XGKPHXFVXKRQTJ-UHFFFAOYSA-N 1 0 368.481 2.700 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(O)c1 ZINC001236811496 1038286647 /nfs/dbraw/zinc/28/66/47/1038286647.db2.gz PVSBVFFECKWOII-HOTGVXAUSA-N 1 0 372.490 2.975 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)CC1CC[NH+](C)CC1 ZINC001236926442 1038357770 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20 10 FFCDRO Cc1cccc(C[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC001250953208 1038850037 /nfs/dbraw/zinc/85/00/37/1038850037.db2.gz MOTSXGOPIITMLQ-UHFFFAOYSA-N 1 0 350.459 2.552 20 10 FFCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(-n3c(C)ccc3C)cc1)C2 ZINC001209517098 1038949093 /nfs/dbraw/zinc/94/90/93/1038949093.db2.gz XYZDAHPEKYPPGD-IFMALSPDSA-N 1 0 367.493 2.821 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001252306811 1039491805 /nfs/dbraw/zinc/49/18/05/1039491805.db2.gz OTCWYVMMXPLQAA-MRXNPFEDSA-N 1 0 366.255 2.822 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@H+](Cc3cccc(C)c3O)CC2)C1=O ZINC001276683633 1039529955 /nfs/dbraw/zinc/52/99/55/1039529955.db2.gz ODVOFYIVPMJGIA-OAQYLSRUSA-N 1 0 360.498 2.942 20 10 FFCDRO O=C1C[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CCN1 ZINC001247001374 1039572800 /nfs/dbraw/zinc/57/28/00/1039572800.db2.gz JQAXLFQOAIVWNW-HXUWFJFHSA-N 1 0 365.477 2.666 20 10 FFCDRO C[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)CC1 ZINC001258946162 1039606263 /nfs/dbraw/zinc/60/62/63/1039606263.db2.gz QRKNZRVFUDUPQQ-UHFFFAOYSA-N 1 0 367.421 2.517 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001252849675 1039739360 /nfs/dbraw/zinc/73/93/60/1039739360.db2.gz KGOVNKJBRUYPTH-NRFANRHFSA-N 1 0 374.456 2.707 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001278490144 1039840518 /nfs/dbraw/zinc/84/05/18/1039840518.db2.gz BALCLEPHNSBERY-LJQANCHMSA-N 1 0 368.905 2.954 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253899144 1040440734 /nfs/dbraw/zinc/44/07/34/1040440734.db2.gz BICUDZYSKCKQMZ-HQOQDVMHSA-N 1 0 374.391 2.563 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001249201324 1040625863 /nfs/dbraw/zinc/62/58/63/1040625863.db2.gz OPIVRFCOHJVUGY-MRXNPFEDSA-N 1 0 363.454 2.661 20 10 FFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249252630 1040654837 /nfs/dbraw/zinc/65/48/37/1040654837.db2.gz NUWKPLOWTLKXKP-INIZCTEOSA-N 1 0 374.481 2.694 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2cccc(N3CCOCC3)c2)no1)c1ccccc1O ZINC001249338825 1040690239 /nfs/dbraw/zinc/69/02/39/1040690239.db2.gz DWLUUKWJEZKVAG-QGZVFWFLSA-N 1 0 366.421 2.521 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001249725502 1040964450 /nfs/dbraw/zinc/96/44/50/1040964450.db2.gz PCGCEMRRHIQCLL-YJBOKZPZSA-N 1 0 365.470 2.707 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)c(O)c1 ZINC001249735876 1040968496 /nfs/dbraw/zinc/96/84/96/1040968496.db2.gz ZOYMSSMMSAHUSN-SFHVURJKSA-N 1 0 365.470 2.971 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](CCOC)C(C)C)c(O)c1 ZINC001249737852 1040971708 /nfs/dbraw/zinc/97/17/08/1040971708.db2.gz NEQFVAHYPFUJKI-UHFFFAOYSA-N 1 0 353.459 2.971 20 10 FFCDRO Cc1cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c(O)cc1Br ZINC001250129073 1041124483 /nfs/dbraw/zinc/12/44/83/1041124483.db2.gz WGRFXRCTZXQLAR-LBPRGKRZSA-N 1 0 355.276 2.763 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(COC(=O)N3)CC2)c(O)cc1Br ZINC001250134181 1041125805 /nfs/dbraw/zinc/12/58/05/1041125805.db2.gz XFPCPGLRAAKTME-UHFFFAOYSA-N 1 0 355.232 2.538 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)cc1Br ZINC001250136394 1041126853 /nfs/dbraw/zinc/12/68/53/1041126853.db2.gz PXBUPINBFJJCHR-CYBMUJFWSA-N 1 0 351.248 2.892 20 10 FFCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(Cl)cc2O)n(C)n1 ZINC001278559216 1041156084 /nfs/dbraw/zinc/15/60/84/1041156084.db2.gz SGXHPWBQNRJWGY-CALCHBBNSA-N 1 0 360.889 2.936 20 10 FFCDRO CN1CCN(c2ccc(CN(CC[NH3+])Cc3ccccc3)cc2F)CC1 ZINC001261482092 1041261230 /nfs/dbraw/zinc/26/12/30/1041261230.db2.gz ALCBZPGZOKJRBB-UHFFFAOYSA-N 1 0 356.489 2.538 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(C)C)C3)c(O)cc1O ZINC001276708714 1041265042 /nfs/dbraw/zinc/26/50/42/1041265042.db2.gz NONROYQWHRMOQB-HXUWFJFHSA-N 1 0 362.470 2.719 20 10 FFCDRO Oc1cc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc(O)c1O ZINC001215328880 1041740793 /nfs/dbraw/zinc/74/07/93/1041740793.db2.gz ULZFVABNPGRNID-WEVVVXLNSA-N 1 0 366.377 2.982 20 10 FFCDRO O=C(/C=C/c1cncc(F)c1)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001263228925 1042185713 /nfs/dbraw/zinc/18/57/13/1042185713.db2.gz YOPQULXOXTUKSH-MMUANNJHSA-N 1 0 367.424 2.743 20 10 FFCDRO CCn1ccnc1CN1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001279196980 1042942107 /nfs/dbraw/zinc/94/21/07/1042942107.db2.gz FYUYJDGIHSFMHM-UHFFFAOYSA-N 1 0 358.461 2.846 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001279220318 1042949719 /nfs/dbraw/zinc/94/97/19/1042949719.db2.gz DIFLLMGMYLCYBA-KFKAGJAMSA-N 1 0 354.450 2.653 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(CCCN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001279225795 1042952738 /nfs/dbraw/zinc/95/27/38/1042952738.db2.gz SNBLKFNSXSAILD-HXUWFJFHSA-N 1 0 356.470 2.699 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3C(=O)CCc3ccc[nH]3)C2)c1O ZINC001279233159 1042957426 /nfs/dbraw/zinc/95/74/26/1042957426.db2.gz LTLFKWOIWZTYLG-UHFFFAOYSA-N 1 0 353.466 2.757 20 10 FFCDRO COC1(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C)c2O)CCC1 ZINC001279291308 1042986347 /nfs/dbraw/zinc/98/63/47/1042986347.db2.gz ZZKZTJRZYNTYLO-ROUUACIJSA-N 1 0 358.482 2.835 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)NC(C)C)CC[C@@H]3C2)c1O ZINC001279311699 1042995462 /nfs/dbraw/zinc/99/54/62/1042995462.db2.gz DJBFSFRSDKLKIT-IYBDPMFKSA-N 1 0 361.486 2.668 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CC3(CN(C(=O)[C@@H]4C=CCC=C4C)C3)C2)c1O ZINC001279314478 1042996849 /nfs/dbraw/zinc/99/68/49/1042996849.db2.gz VHDQDYFGHMZFOV-QGZVFWFLSA-N 1 0 354.450 2.573 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001237214119 1043056679 /nfs/dbraw/zinc/05/66/79/1043056679.db2.gz CKIZJRHYXBGVNJ-FXAWDEMLSA-N 1 0 350.503 2.584 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)c(O)c1 ZINC001279432215 1043106112 /nfs/dbraw/zinc/10/61/12/1043106112.db2.gz GHJDRMCKSYVLAY-UHFFFAOYSA-N 1 0 354.498 2.804 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc2n1C ZINC001237410245 1043146316 /nfs/dbraw/zinc/14/63/16/1043146316.db2.gz CJKHEZNXJNEHJW-CRAIPNDOSA-N 1 0 355.482 2.929 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237414106 1043149347 /nfs/dbraw/zinc/14/93/47/1043149347.db2.gz LSNSAQWKPHWTGU-FZMZJTMJSA-N 1 0 372.250 2.571 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001279474019 1043156884 /nfs/dbraw/zinc/15/68/84/1043156884.db2.gz LLPYOBFZSXGOLL-APWZRJJASA-N 1 0 362.514 2.816 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279488586 1043173613 /nfs/dbraw/zinc/17/36/13/1043173613.db2.gz KGKRJDWJRCCYGD-IBGZPJMESA-N 1 0 353.457 2.520 20 10 FFCDRO [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279490576 1043175641 /nfs/dbraw/zinc/17/56/41/1043175641.db2.gz SLWREYTZDCANHB-UHFFFAOYSA-N 1 0 362.424 2.882 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001237488089 1043203203 /nfs/dbraw/zinc/20/32/03/1043203203.db2.gz IWXCHGZGMWNZDV-UTKZUKDTSA-N 1 0 354.450 2.761 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc1Br ZINC001237679193 1043308128 /nfs/dbraw/zinc/30/81/28/1043308128.db2.gz GDRGBGRBSPXCQX-CYBMUJFWSA-N 1 0 356.260 2.579 20 10 FFCDRO Cc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1Cl ZINC001237746888 1043337159 /nfs/dbraw/zinc/33/71/59/1043337159.db2.gz VLLMIPUVROCYOW-UHFFFAOYSA-N 1 0 365.886 2.859 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N[C@@H](C)c4ncc[nH]4)(C2)C3)cc1C ZINC001279733239 1043550665 /nfs/dbraw/zinc/55/06/65/1043550665.db2.gz NZJJTPIAVVSIHQ-JAGHRAMZSA-N 1 0 354.454 2.616 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NC(C)(C)C)O[C@H]3C2)cc1 ZINC001279742768 1043570833 /nfs/dbraw/zinc/57/08/33/1043570833.db2.gz CKTKXRJQJRZAEV-NEWSRXKRSA-N 1 0 359.514 2.647 20 10 FFCDRO Cc1ncsc1C[N@@H+]1C[C@@H]2CCN(c3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC001279765399 1043608384 /nfs/dbraw/zinc/60/83/84/1043608384.db2.gz ZHQUPYDVKZQTAF-GOEBONIOSA-N 1 0 357.479 2.933 20 10 FFCDRO O=S(=O)(NCCO[C@H]1CC[NH2+]C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238810656 1043906516 /nfs/dbraw/zinc/90/65/16/1043906516.db2.gz DWKPETSCCSWRFN-SIUCFOQUSA-N 1 0 374.466 2.759 20 10 FFCDRO O=C(Nc1cccc2c1OCO2)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279968339 1044001675 /nfs/dbraw/zinc/00/16/75/1044001675.db2.gz JGZFCYVTVZFBIG-CQSZACIVSA-N 1 0 352.390 2.582 20 10 FFCDRO O=C(N1CC=CC1)C12CC([NH2+]Cc3cc(Br)ccc3O)(C1)C2 ZINC001279982192 1044032348 /nfs/dbraw/zinc/03/23/48/1044032348.db2.gz BHSRSFPOWSJSJE-UHFFFAOYSA-N 1 0 363.255 2.565 20 10 FFCDRO O=C([C@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2)N1CC(F)(C2CC2)C1 ZINC001279983078 1044033652 /nfs/dbraw/zinc/03/36/52/1044033652.db2.gz DQQXEDGSRORCOU-OAHLLOKOSA-N 1 0 364.848 2.828 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N(C)C2CC(F)(F)C2)c(O)c1 ZINC001280046497 1044133232 /nfs/dbraw/zinc/13/32/32/1044133232.db2.gz LIZDLWNLAOGOKJ-IFXJQAMLSA-N 1 0 350.409 2.921 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001280080496 1044181098 /nfs/dbraw/zinc/18/10/98/1044181098.db2.gz FRSQMACRGQPUCL-UWJYYQICSA-N 1 0 357.498 2.596 20 10 FFCDRO O=C(NCC(F)F)[C@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001280082646 1044184013 /nfs/dbraw/zinc/18/40/13/1044184013.db2.gz GRNNTMVZDMIAQK-ZDUSSCGKSA-N 1 0 368.424 2.861 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCOC23CCCC3)[NH+](C)C)cc1 ZINC001313394225 1044345255 /nfs/dbraw/zinc/34/52/55/1044345255.db2.gz KXJZUKNXOYQFEK-OALUTQOASA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C2CC2)O1 ZINC001313417050 1044350220 /nfs/dbraw/zinc/35/02/20/1044350220.db2.gz QKCYKSQUMCBMBO-CDHQVMDDSA-N 1 0 374.529 2.564 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc(C(=O)NCC(F)F)[nH]c3C2)c1O ZINC001280346206 1044635915 /nfs/dbraw/zinc/63/59/15/1044635915.db2.gz KXFBZYJQTDPLRU-UHFFFAOYSA-N 1 0 363.408 2.890 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCC(=O)OC(C)(C)C)[NH+](C)C)cc1 ZINC001539236312 1070593513 /nfs/dbraw/zinc/59/35/13/1070593513.db2.gz RLJAWDUXMXMQEH-KRWDZBQOSA-N 1 0 363.502 2.593 20 10 FFCDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318664630 1044797084 /nfs/dbraw/zinc/79/70/84/1044797084.db2.gz ZLWNHQPBIWFYJQ-HXUWFJFHSA-N 1 0 351.510 2.854 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@]3(CO)CCc4ccccc43)cc2F)CC1 ZINC001319392656 1045134080 /nfs/dbraw/zinc/13/40/80/1045134080.db2.gz YDKJSPKSQYKUHX-JOCHJYFZSA-N 1 0 369.484 2.501 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001318516981 1045319978 /nfs/dbraw/zinc/31/99/78/1045319978.db2.gz OQFBXYCYDAGMDY-VQTJNVASSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000727161983 1045320790 /nfs/dbraw/zinc/32/07/90/1045320790.db2.gz OMMRHEGXUNPMGK-INIZCTEOSA-N 1 0 370.457 2.590 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001320134106 1045353842 /nfs/dbraw/zinc/35/38/42/1045353842.db2.gz USKWMEONGYUREY-ZFWWWQNUSA-N 1 0 352.500 2.510 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cc(Br)ccc1O ZINC001320253036 1045375672 /nfs/dbraw/zinc/37/56/72/1045375672.db2.gz OJLZAFMONCPOGF-SFYZADRCSA-N 1 0 369.181 2.872 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](CO)CC3CCOCC3)CC2)cc1 ZINC001322129450 1045963495 /nfs/dbraw/zinc/96/34/95/1045963495.db2.gz IQUBIEGJYBBHJM-GOSISDBHSA-N 1 0 362.514 2.679 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[NH+](C4CCCC4)CC3)cc2F)CC1 ZINC001324725224 1046188093 /nfs/dbraw/zinc/18/80/93/1046188093.db2.gz RMVVXWXISLRYHQ-UHFFFAOYSA-N 1 0 360.521 2.638 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CC[C@](C)(O)c3ccccc3)cc2F)CC1 ZINC001325879825 1046672190 /nfs/dbraw/zinc/67/21/90/1046672190.db2.gz KEFVAEXJPABJJR-QFIPXVFZSA-N 1 0 371.500 2.965 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cccnc3[N+](=O)[O-])cc2F)CC1 ZINC000730108066 1047075838 /nfs/dbraw/zinc/07/58/38/1047075838.db2.gz FEVHJFDWVGFZBB-UHFFFAOYSA-N 1 0 359.405 2.883 20 10 FFCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001288334588 1047449617 /nfs/dbraw/zinc/44/96/17/1047449617.db2.gz LEMUNSYWSHXHML-OAQYLSRUSA-N 1 0 367.493 2.832 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2Cc3ccccc3C2)[NH+](C)C)cc1 ZINC001289599821 1047707647 /nfs/dbraw/zinc/70/76/47/1047707647.db2.gz JJYHHEBMFGGEAE-NRFANRHFSA-N 1 0 351.494 2.887 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1O ZINC001332022177 1048215714 /nfs/dbraw/zinc/21/57/14/1048215714.db2.gz UECBNOYRNGYPJQ-ZDUSSCGKSA-N 1 0 362.289 2.520 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001329175678 1048606081 /nfs/dbraw/zinc/60/60/81/1048606081.db2.gz ZLHQJKNTDYVNSQ-QLFBSQMISA-N 1 0 364.453 2.555 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCCCSc3nccs3)C[C@H]2C1 ZINC001333753376 1049102817 /nfs/dbraw/zinc/10/28/17/1049102817.db2.gz IYOHQBQHOZDJSM-RRFJBIMHSA-N 1 0 368.572 2.997 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001541081419 1071049640 /nfs/dbraw/zinc/04/96/40/1071049640.db2.gz YHIFTSMCICKDFB-IBGZPJMESA-N 1 0 361.555 2.976 20 10 FFCDRO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001333804870 1049126545 /nfs/dbraw/zinc/12/65/45/1049126545.db2.gz HVJVYTSBZWJWDH-UHFFFAOYSA-N 1 0 367.493 2.851 20 10 FFCDRO CCc1nncn1CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742388954 1049882945 /nfs/dbraw/zinc/88/29/45/1049882945.db2.gz UUROSIILTSFUSF-UHFFFAOYSA-N 1 0 358.446 2.529 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340172622 1050578208 /nfs/dbraw/zinc/57/82/08/1050578208.db2.gz KTUMDJGDZFOJSN-UHFFFAOYSA-N 1 0 355.404 2.835 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCC[NH2+]CC1 ZINC001340234974 1050642718 /nfs/dbraw/zinc/64/27/18/1050642718.db2.gz SSLGGWQPFSMFJS-OAHLLOKOSA-N 1 0 365.424 2.683 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000746753321 1050750139 /nfs/dbraw/zinc/75/01/39/1050750139.db2.gz DXQJOFQLSSEXOL-UHFFFAOYSA-N 1 0 363.458 2.870 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC001301180889 1050828750 /nfs/dbraw/zinc/82/87/50/1050828750.db2.gz MDVSVFHVEVCNJI-OAQYLSRUSA-N 1 0 365.477 2.756 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC001342865019 1051473696 /nfs/dbraw/zinc/47/36/96/1051473696.db2.gz WODDRXJQHKIGIK-JKSUJKDBSA-N 1 0 350.459 2.631 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)c3ccccc3C)CC2)cc1 ZINC001307950543 1052370461 /nfs/dbraw/zinc/37/04/61/1052370461.db2.gz BGPYSNHBYKGXDC-FQEVSTJZSA-N 1 0 369.509 2.623 20 10 FFCDRO CCO[C@H]1CCC[C@@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001308234628 1052434753 /nfs/dbraw/zinc/43/47/53/1052434753.db2.gz RCDFPRFYUVVUBZ-NQIIRXRSSA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)CCCCC3CC[NH2+]CC3)C2)cc1 ZINC001343973637 1052521952 /nfs/dbraw/zinc/52/19/52/1052521952.db2.gz AVRDWXBWWJQWJO-SFHVURJKSA-N 1 0 359.514 2.950 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc2F)C[C@H](C)O1 ZINC001335923769 1053647017 /nfs/dbraw/zinc/64/70/17/1053647017.db2.gz HBLDYVTWMXRVGM-GASCZTMLSA-N 1 0 365.493 2.834 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc2F)C[C@H](C)O1 ZINC001335923771 1053647459 /nfs/dbraw/zinc/64/74/59/1053647459.db2.gz HBLDYVTWMXRVGM-GJZGRUSLSA-N 1 0 365.493 2.834 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c(Cl)ccnc3F)cc2)CC1 ZINC001347612845 1054156415 /nfs/dbraw/zinc/15/64/15/1054156415.db2.gz ADNCOLGKZOJRSF-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO COC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC001336751548 1054193992 /nfs/dbraw/zinc/19/39/92/1054193992.db2.gz RKKZDYWKBRPADN-ROUUACIJSA-N 1 0 374.485 2.635 20 10 FFCDRO CC1(C)[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]2CCC[NH2+][C@H]21 ZINC001337007176 1054406808 /nfs/dbraw/zinc/40/68/08/1054406808.db2.gz LVGKUWMVEXTBMP-BMGDILEWSA-N 1 0 370.522 2.823 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)[NH+](C)C)cc1 ZINC001337615474 1054893482 /nfs/dbraw/zinc/89/34/82/1054893482.db2.gz NTOIAMWQDKSCIA-ZCNNSNEGSA-N 1 0 352.482 2.670 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)ccc21 ZINC001351974575 1055095884 /nfs/dbraw/zinc/09/58/84/1055095884.db2.gz AFPOIHYOBZYCOW-ZCNNSNEGSA-N 1 0 370.541 2.941 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c1O ZINC000848906061 1055342796 /nfs/dbraw/zinc/34/27/96/1055342796.db2.gz QJCMQURWKBIGKT-HNNXBMFYSA-N 1 0 370.497 2.642 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000848909184 1055346825 /nfs/dbraw/zinc/34/68/25/1055346825.db2.gz MRQCTVXAZJROFF-GOSISDBHSA-N 1 0 354.450 2.724 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000847447439 1055796468 /nfs/dbraw/zinc/79/64/68/1055796468.db2.gz PHANWWNCBHELPO-UXHICEINSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000847447438 1055796890 /nfs/dbraw/zinc/79/68/90/1055796890.db2.gz PHANWWNCBHELPO-PMACEKPBSA-N 1 0 374.529 2.790 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@](C)(C(=O)[O-])c3ccccc3)cc2)CC1 ZINC001350602154 1055856415 /nfs/dbraw/zinc/85/64/15/1055856415.db2.gz VQPFYTZJICJXJO-NRFANRHFSA-N 1 0 353.466 2.528 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847696590 1056384145 /nfs/dbraw/zinc/38/41/45/1056384145.db2.gz RXLWWLJDCRATLC-YJBOKZPZSA-N 1 0 354.450 2.667 20 10 FFCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC001339698040 1056719622 /nfs/dbraw/zinc/71/96/22/1056719622.db2.gz PQTQHVRVXCYVDW-UHFFFAOYSA-N 1 0 372.440 2.863 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2ccccc2O)[C@@H](c2cnn(C)c2)C1 ZINC000849565242 1056912930 /nfs/dbraw/zinc/91/29/30/1056912930.db2.gz XWNRYCYRBXBUKZ-RTBURBONSA-N 1 0 370.497 2.598 20 10 FFCDRO C[NH+](C)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc2C1 ZINC001444672798 1058321025 /nfs/dbraw/zinc/32/10/25/1058321025.db2.gz RWCMDMVRHGCTRY-UHFFFAOYSA-N 1 0 365.437 2.678 20 10 FFCDRO CC[NH+]1CCC(C(=O)NCCc2ccc(O)c(O)c2)(c2ccccc2)CC1 ZINC001445939544 1058460098 /nfs/dbraw/zinc/46/00/98/1058460098.db2.gz SDUUKZPJTZETRI-UHFFFAOYSA-N 1 0 368.477 2.810 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)cc1 ZINC001300633447 1059097377 /nfs/dbraw/zinc/09/73/77/1059097377.db2.gz JNPBJBCZSUSCDW-QGZVFWFLSA-N 1 0 357.498 2.655 20 10 FFCDRO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1cc2c(cc1O)OC[C@H]2O ZINC000848502134 1060183356 /nfs/dbraw/zinc/18/33/56/1060183356.db2.gz KYYIBIYYKZYYGZ-CQSZACIVSA-N 1 0 365.332 2.772 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cn1)c1ccccc1O ZINC001460638632 1061044290 /nfs/dbraw/zinc/04/42/90/1061044290.db2.gz OWLMMUSZZBOYMU-JTQLQIEISA-N 1 0 350.216 2.839 20 10 FFCDRO CCc1nnc(N(C)Cc2ccccc2O)n1CC[NH+]1CCC(C)CC1 ZINC001546421390 1061116133 /nfs/dbraw/zinc/11/61/33/1061116133.db2.gz DACXWYCXCQVIDC-UHFFFAOYSA-N 1 0 357.502 2.914 20 10 FFCDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 ZINC001461088641 1061206908 /nfs/dbraw/zinc/20/69/08/1061206908.db2.gz ZAJHDBKIRFGHKS-WSTZPKSXSA-N 1 0 359.514 2.683 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc4c(n3)CCC4)cc2)CC1 ZINC001476612416 1061440691 /nfs/dbraw/zinc/44/06/91/1061440691.db2.gz FXALNOGELRAKEQ-UHFFFAOYSA-N 1 0 365.481 2.644 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c(O)c1 ZINC001461955193 1061461951 /nfs/dbraw/zinc/46/19/51/1061461951.db2.gz IFBNPIKSBHVHNE-LPHOPBHVSA-N 1 0 359.514 2.513 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1O ZINC001461991835 1061474141 /nfs/dbraw/zinc/47/41/41/1061474141.db2.gz HFFDSHVOKVGERU-ZDUSSCGKSA-N 1 0 366.820 2.627 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(O)c1 ZINC001462231294 1061547080 /nfs/dbraw/zinc/54/70/80/1061547080.db2.gz CRACGOVTWYBMDK-OLZOCXBDSA-N 1 0 372.387 2.552 20 10 FFCDRO COc1cc(C)c(C[NH2+]CCNC(=O)CCCc2ccccc2)c(O)c1 ZINC001462366378 1061597052 /nfs/dbraw/zinc/59/70/52/1061597052.db2.gz HELYAAJAEJXQFV-UHFFFAOYSA-N 1 0 356.466 2.938 20 10 FFCDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001462376635 1061600358 /nfs/dbraw/zinc/60/03/58/1061600358.db2.gz NQRWRPAMUNLTAZ-GXTWGEPZSA-N 1 0 350.434 2.991 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(F)c2F)[NH+](C)C)cc1 ZINC001463281602 1062031698 /nfs/dbraw/zinc/03/16/98/1062031698.db2.gz MJHXJKUVDANRFL-SFHVURJKSA-N 1 0 361.436 2.992 20 10 FFCDRO CO[C@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001478516266 1062039130 /nfs/dbraw/zinc/03/91/30/1062039130.db2.gz GOBYEBOVXFAHDE-FHWLQOOXSA-N 1 0 362.518 2.612 20 10 FFCDRO CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001478859169 1062132918 /nfs/dbraw/zinc/13/29/18/1062132918.db2.gz CMUQIVNCLIRVTC-INIZCTEOSA-N 1 0 362.518 2.599 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H](F)C2)[NH+](C)C)cc1 ZINC001478877050 1062138499 /nfs/dbraw/zinc/13/84/99/1062138499.db2.gz SXBJBJQYEVYBRS-JZXOWHBKSA-N 1 0 350.482 2.935 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc(N(C)C)c2)[NH+](C)C)cc1 ZINC001439961219 1063240242 /nfs/dbraw/zinc/24/02/42/1063240242.db2.gz PZBYSJQLYBTQTO-FQEVSTJZSA-N 1 0 354.498 2.851 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nc4ccccc4s3)cc2)CC1 ZINC001471565174 1064717106 /nfs/dbraw/zinc/71/71/06/1064717106.db2.gz RFMBMNNFRFHTOX-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3cc(CC(C)C)ncn3)CC2)cc1 ZINC001472674621 1065125641 /nfs/dbraw/zinc/12/56/41/1065125641.db2.gz FDSIENJRVULSAQ-UHFFFAOYSA-N 1 0 369.513 2.918 20 10 FFCDRO CC(C)(C)OC(=O)N[C@]1(CO)CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001474731422 1065592924 /nfs/dbraw/zinc/59/29/24/1065592924.db2.gz IRYHDAYEXFJIRY-GOSISDBHSA-N 1 0 372.412 2.522 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001577734517 1078392104 /nfs/dbraw/zinc/39/21/04/1078392104.db2.gz OONSQMQDUJKKAC-RDBSUJKOSA-N 1 0 368.275 2.579 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C=O)sc2Cl)cc1 ZINC001578424457 1078472168 /nfs/dbraw/zinc/47/21/68/1078472168.db2.gz HDZBGIXSQCAYBN-CQSZACIVSA-N 1 0 351.859 2.710 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@]3(CC[NH2+]C3)C2)c2cc(F)ccc2n1C ZINC001578850603 1078534517 /nfs/dbraw/zinc/53/45/17/1078534517.db2.gz HGQMKDORUAJUSO-HXUWFJFHSA-N 1 0 359.445 2.680 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4scnc4c3)cc2)CC1 ZINC001583480896 1079220604 /nfs/dbraw/zinc/22/06/04/1079220604.db2.gz ABGGZADEDLBDEV-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001584817002 1079392436 /nfs/dbraw/zinc/39/24/36/1079392436.db2.gz VNOWCAJJANKOQL-UHFFFAOYSA-N 1 0 369.429 2.955 20 10 FFCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560327272 1076264790 /nfs/dbraw/zinc/26/47/90/1076264790.db2.gz DDAQQQYYWAYZAZ-OAQYLSRUSA-N 1 0 357.473 2.709 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC001565667368 1076751851 /nfs/dbraw/zinc/75/18/51/1076751851.db2.gz CMQRWXDKKNBKBS-OAHLLOKOSA-N 1 0 355.482 2.739 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000038082786 506434597 /nfs/dbraw/zinc/43/45/97/506434597.db2.gz KPCCYKSTCMKUME-ZWNOBZJWSA-N 1 0 362.289 2.630 20 10 FFCDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000091974457 508029033 /nfs/dbraw/zinc/02/90/33/508029033.db2.gz LWCWYDPRPRUEER-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000121809418 508423827 /nfs/dbraw/zinc/42/38/27/508423827.db2.gz BUXDPBRXDDDOMB-UHFFFAOYSA-N 1 0 367.405 2.601 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)[C@H](C)C1 ZINC000115851765 508447262 /nfs/dbraw/zinc/44/72/62/508447262.db2.gz WCWOATOGDFSNGF-SJLPKXTDSA-N 1 0 363.502 2.671 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCn4ccnc4C3)cc2)CC1 ZINC000161507454 509123431 /nfs/dbraw/zinc/12/34/31/509123431.db2.gz FZKQOEHZVVIFIK-GOSISDBHSA-N 1 0 352.482 2.998 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189061570 509392646 /nfs/dbraw/zinc/39/26/46/509392646.db2.gz LHMRDANWTUHWKF-UGSOOPFHSA-N 1 0 358.413 2.992 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1[O-] ZINC000186060329 509505018 /nfs/dbraw/zinc/50/50/18/509505018.db2.gz BBSUSBVBNFBVKR-CQSZACIVSA-N 1 0 359.445 2.674 20 10 FFCDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000236802670 509506233 /nfs/dbraw/zinc/50/62/33/509506233.db2.gz TYTUZDNRTOHNHW-UHFFFAOYSA-N 1 0 356.422 2.941 20 10 FFCDRO CC[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[NH+](CC)CC ZINC000267509306 509520828 /nfs/dbraw/zinc/52/08/28/509520828.db2.gz ZDOWCSOCHUZOEL-GOSISDBHSA-N 1 0 365.493 2.523 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2=O)c1 ZINC000179888553 509660743 /nfs/dbraw/zinc/66/07/43/509660743.db2.gz SJVWAYGHXLCZIY-ACJLOTCBSA-N 1 0 356.422 2.866 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000180194832 509805916 /nfs/dbraw/zinc/80/59/16/509805916.db2.gz PVANBXDJXZTAHD-UHFFFAOYSA-N 1 0 356.451 2.728 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)ccc21 ZINC000174216299 510007366 /nfs/dbraw/zinc/00/73/66/510007366.db2.gz ZYRDHVAIFVBZON-GOSISDBHSA-N 1 0 356.514 2.696 20 10 FFCDRO OCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000174278148 510036841 /nfs/dbraw/zinc/03/68/41/510036841.db2.gz FTTGNYBQDHOXIU-UHFFFAOYSA-N 1 0 370.371 2.917 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000269471566 510423784 /nfs/dbraw/zinc/42/37/84/510423784.db2.gz USOXESJZTIJFCO-CQSZACIVSA-N 1 0 355.438 2.730 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194756944 510512948 /nfs/dbraw/zinc/51/29/48/510512948.db2.gz NLYXEQWBHXFZON-KOEDOTQGSA-N 1 0 352.434 2.749 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)ccc1OCC(N)=O ZINC000185204622 510746102 /nfs/dbraw/zinc/74/61/02/510746102.db2.gz UFMQGGRIYCSAIH-LLVKDONJSA-N 1 0 364.829 2.769 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000275378095 510891245 /nfs/dbraw/zinc/89/12/45/510891245.db2.gz WZBSOBXYYFOYFC-XHDPSFHLSA-N 1 0 358.276 2.901 20 10 FFCDRO C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])ccn2)CC1 ZINC000294156003 510974150 /nfs/dbraw/zinc/97/41/50/510974150.db2.gz IIIUWHMBAHMGES-UHFFFAOYSA-N 1 0 364.852 2.621 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278512408 510995599 /nfs/dbraw/zinc/99/55/99/510995599.db2.gz QCHKGRZGZGSUFL-GWCFXTLKSA-N 1 0 352.412 2.972 20 10 FFCDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000278697544 511004595 /nfs/dbraw/zinc/00/45/95/511004595.db2.gz RFHZMTLTLYHHSH-UHFFFAOYSA-N 1 0 358.413 2.674 20 10 FFCDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2CO)cn1 ZINC000278750396 511005809 /nfs/dbraw/zinc/00/58/09/511005809.db2.gz SAGJSBIZMKHILI-FPOVZHCZSA-N 1 0 354.498 2.618 20 10 FFCDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000285833787 511015130 /nfs/dbraw/zinc/01/51/30/511015130.db2.gz XWDJHGNPZZTTTA-VCYXJBJXSA-N 1 0 372.557 2.877 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162550 511042874 /nfs/dbraw/zinc/04/28/74/511042874.db2.gz BTTXNPXRCZGNKU-KGLIPLIRSA-N 1 0 373.409 2.962 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1O ZINC000287238332 511045013 /nfs/dbraw/zinc/04/50/13/511045013.db2.gz YQSVVRGBSMQOKR-MNOVXSKESA-N 1 0 362.289 2.630 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726583 511056880 /nfs/dbraw/zinc/05/68/80/511056880.db2.gz OXTAIHLPHVEURG-GJZGRUSLSA-N 1 0 362.861 2.934 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc(Cl)c1[O-] ZINC000287726585 511057027 /nfs/dbraw/zinc/05/70/27/511057027.db2.gz OXTAIHLPHVEURG-LSDHHAIUSA-N 1 0 362.861 2.934 20 10 FFCDRO COc1c(O)c(CN(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000289420910 511100693 /nfs/dbraw/zinc/10/06/93/511100693.db2.gz JEJUDFREAHUGKU-UHFFFAOYSA-N 1 0 365.455 2.934 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC000289669942 511108986 /nfs/dbraw/zinc/10/89/86/511108986.db2.gz AFVYCCIQBABADW-ROUUACIJSA-N 1 0 355.482 2.586 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000294867046 511202548 /nfs/dbraw/zinc/20/25/48/511202548.db2.gz UKOPCHXVGLAMGE-XMMPIXPASA-N 1 0 373.902 2.630 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]1C ZINC000280053272 511318952 /nfs/dbraw/zinc/31/89/52/511318952.db2.gz WFGAQHWCDJQDCV-LRQRDZAKSA-N 1 0 374.525 2.963 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)ccc21 ZINC000365224751 511325749 /nfs/dbraw/zinc/32/57/49/511325749.db2.gz OIDNQUHOWITEOZ-LPHOPBHVSA-N 1 0 355.482 2.729 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000273432552 511526589 /nfs/dbraw/zinc/52/65/89/511526589.db2.gz LIURILSZSMKPAS-CYBMUJFWSA-N 1 0 364.423 2.733 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000296162954 511640233 /nfs/dbraw/zinc/64/02/33/511640233.db2.gz YWMXSJYFKOZQJW-UTKZUKDTSA-N 1 0 360.498 2.682 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)N[C@H](C(N)=O)c2ccccn2)c1O ZINC000296633376 511829614 /nfs/dbraw/zinc/82/96/14/511829614.db2.gz BLTLWVRWYYWBHR-YGRLFVJLSA-N 1 0 364.243 2.735 20 10 FFCDRO OCc1cn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)nn1 ZINC000293527763 511998951 /nfs/dbraw/zinc/99/89/51/511998951.db2.gz BOQIPOLBWDGSLM-HXUWFJFHSA-N 1 0 364.449 2.980 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282119972 512080927 /nfs/dbraw/zinc/08/09/27/512080927.db2.gz QMRYLDHCEXCIJN-IBGZPJMESA-N 1 0 359.514 2.650 20 10 FFCDRO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368787213 513102774 /nfs/dbraw/zinc/10/27/74/513102774.db2.gz ZMAXFSHOPZPKIC-JOCHJYFZSA-N 1 0 363.461 2.619 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@]23CCOC3)C1 ZINC000422064392 513557776 /nfs/dbraw/zinc/55/77/76/513557776.db2.gz FHPJMGYUYHZOFC-QFIPXVFZSA-N 1 0 367.493 2.799 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCOC2)C1 ZINC000436038070 513742771 /nfs/dbraw/zinc/74/27/71/513742771.db2.gz KRLYMOPQJJUZJW-OAQYLSRUSA-N 1 0 355.482 2.703 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000471590175 514944812 /nfs/dbraw/zinc/94/48/12/514944812.db2.gz UXWOCYTUFIZHME-HOTGVXAUSA-N 1 0 372.513 2.785 20 10 FFCDRO CS(=O)(=O)c1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)co1 ZINC000528420600 516424188 /nfs/dbraw/zinc/42/41/88/516424188.db2.gz WSFFMXGVUBBMOW-INIZCTEOSA-N 1 0 365.451 2.570 20 10 FFCDRO C[C@]1(CO)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@]1(C)CO ZINC000529667974 517272756 /nfs/dbraw/zinc/27/27/56/517272756.db2.gz BXUBXVNSHVGQOY-SZPZYZBQSA-N 1 0 371.477 2.784 20 10 FFCDRO CO[C@H](C)CN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000553764191 517891714 /nfs/dbraw/zinc/89/17/14/517891714.db2.gz RROWFNQGPMRSDR-MRXNPFEDSA-N 1 0 357.498 2.901 20 10 FFCDRO c1sc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1-c1nn[nH]n1 ZINC000823757589 606212004 /nfs/dbraw/zinc/21/20/04/606212004.db2.gz RXOJNMKYHDYQHM-UHFFFAOYSA-N 1 0 372.523 2.771 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000153030336 728771118 /nfs/dbraw/zinc/77/11/18/728771118.db2.gz VNAVNBXJFMEINC-GOSISDBHSA-N 1 0 350.459 2.721 20 10 FFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160045776 728916751 /nfs/dbraw/zinc/91/67/51/728916751.db2.gz RHESNDDKRTXPNE-CQSZACIVSA-N 1 0 350.459 2.538 20 10 FFCDRO C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H]1CCSC1 ZINC000160978037 728927693 /nfs/dbraw/zinc/92/76/93/728927693.db2.gz IZAONBFYIHMBIT-MRXNPFEDSA-N 1 0 360.479 2.951 20 10 FFCDRO C[C@@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100955 735447362 /nfs/dbraw/zinc/44/73/62/735447362.db2.gz DOIDDUQOAVGROE-WFASDCNBSA-N 1 0 360.424 2.995 20 10 FFCDRO CSC1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899099225 735447555 /nfs/dbraw/zinc/44/75/55/735447555.db2.gz XEKFGEGQUDHJQR-GOSISDBHSA-N 1 0 364.559 2.892 20 10 FFCDRO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000090579870 728451579 /nfs/dbraw/zinc/45/15/79/728451579.db2.gz HXZLJLJNTAJAEL-AWEZNQCLSA-N 1 0 367.540 2.785 20 10 FFCDRO COCCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000127259819 728705864 /nfs/dbraw/zinc/70/58/64/728705864.db2.gz WVTNRNVIBRMABG-MRXNPFEDSA-N 1 0 366.889 2.943 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000132307019 728724188 /nfs/dbraw/zinc/72/41/88/728724188.db2.gz NIFOKNWDOCJSQY-GFCCVEGCSA-N 1 0 371.553 2.884 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(F)ccc1O ZINC000185292169 729346078 /nfs/dbraw/zinc/34/60/78/729346078.db2.gz ZJDFVVYCERZSBQ-CYBMUJFWSA-N 1 0 364.442 2.922 20 10 FFCDRO Cc1cc(C)c(O)c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000192453947 729425424 /nfs/dbraw/zinc/42/54/24/729425424.db2.gz OGAPMJKRKGJFGC-UHFFFAOYSA-N 1 0 360.479 2.516 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000194671859 729517502 /nfs/dbraw/zinc/51/75/02/729517502.db2.gz ACZCCBFAJBZBFS-UHFFFAOYSA-N 1 0 350.482 2.954 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000779038191 738431296 /nfs/dbraw/zinc/43/12/96/738431296.db2.gz JXWCQEBZDOLICM-NXEZZACHSA-N 1 0 350.278 2.547 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@@]12CCCO2 ZINC000759170321 736552857 /nfs/dbraw/zinc/55/28/57/736552857.db2.gz AUHLBVBFLLAZBH-XHSDSOJGSA-N 1 0 356.260 2.971 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000305892527 729738661 /nfs/dbraw/zinc/73/86/61/729738661.db2.gz ZUJZXQCCJOIADX-GFCCVEGCSA-N 1 0 356.850 2.771 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000382768193 729835266 /nfs/dbraw/zinc/83/52/66/729835266.db2.gz AKJKTASLWSEBAP-AWEZNQCLSA-N 1 0 356.850 2.771 20 10 FFCDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858175107 730418711 /nfs/dbraw/zinc/41/87/11/730418711.db2.gz HMMMOYVMQYRLKA-IAQYHMDHSA-N 1 0 366.259 2.898 20 10 FFCDRO CCOc1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(O)c1 ZINC000858236752 730420554 /nfs/dbraw/zinc/42/05/54/730420554.db2.gz ZNBMYYDBQIEWAF-UHFFFAOYSA-N 1 0 359.413 2.838 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1C ZINC000858280253 730421646 /nfs/dbraw/zinc/42/16/46/730421646.db2.gz LHGGOPPXHZIWMK-INIZCTEOSA-N 1 0 350.459 2.735 20 10 FFCDRO Oc1cccc(Br)c1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000862243629 730680702 /nfs/dbraw/zinc/68/07/02/730680702.db2.gz OOCOQHRNCONFLH-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247768 730681356 /nfs/dbraw/zinc/68/13/56/730681356.db2.gz BVGHVLYZSBUWSH-QZTJIDSGSA-N 1 0 354.441 2.783 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000862253779 730682782 /nfs/dbraw/zinc/68/27/82/730682782.db2.gz SJRMTMNYWDAFBW-GFCCVEGCSA-N 1 0 351.248 2.658 20 10 FFCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862350929 730690421 /nfs/dbraw/zinc/69/04/21/730690421.db2.gz JNIPMGUGPBOZJL-MRXNPFEDSA-N 1 0 356.260 2.925 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000866492034 731066285 /nfs/dbraw/zinc/06/62/85/731066285.db2.gz CCWFZLFUCAYIBV-JLJPHGGASA-N 1 0 350.459 2.722 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000866572636 731075615 /nfs/dbraw/zinc/07/56/15/731075615.db2.gz DFZOWTKSPVNKCP-OAHLLOKOSA-N 1 0 353.532 2.642 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000925851263 738536920 /nfs/dbraw/zinc/53/69/20/738536920.db2.gz RCLKVERNOFYSCN-WFASDCNBSA-N 1 0 352.862 2.772 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795794 731832525 /nfs/dbraw/zinc/83/25/25/731832525.db2.gz NZGNEHSTVUCHOZ-DZGCQCFKSA-N 1 0 367.511 2.565 20 10 FFCDRO COc1cc(N2CC[NH+](CC3CCSCC3)CC2)cc(OC)c1OC ZINC000877345814 732347645 /nfs/dbraw/zinc/34/76/45/732347645.db2.gz KEUWYESVATXBOI-UHFFFAOYSA-N 1 0 366.527 2.978 20 10 FFCDRO CC(=O)NCC1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000877520983 732379188 /nfs/dbraw/zinc/37/91/88/732379188.db2.gz NFIXFWYXYCAQGW-UHFFFAOYSA-N 1 0 355.276 2.939 20 10 FFCDRO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877798772 732434595 /nfs/dbraw/zinc/43/45/95/732434595.db2.gz BYRWGFJBPOGPBT-ILXRZTDVSA-N 1 0 366.889 2.677 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(F)(F)F)CC3)cc2)CC1 ZINC000877823259 732442304 /nfs/dbraw/zinc/44/23/04/732442304.db2.gz WSTBFPQWSDAIIE-QGZVFWFLSA-N 1 0 358.404 2.801 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)c1cc(Br)no1)c1ccc(N(C)C)cc1 ZINC000878454896 732535234 /nfs/dbraw/zinc/53/52/34/732535234.db2.gz KJHUOHNGVMNRHB-MFKMUULPSA-N 1 0 354.248 2.887 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)c1ccccc1O ZINC000879650575 732742622 /nfs/dbraw/zinc/74/26/22/732742622.db2.gz ICKIOGLFLFLWIM-CRFBAAHOSA-N 1 0 350.459 2.803 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000781907756 738670856 /nfs/dbraw/zinc/67/08/56/738670856.db2.gz DYORFNOJUWGLSF-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000926946167 738671198 /nfs/dbraw/zinc/67/11/98/738671198.db2.gz MYNZREBPWMKXGO-UMHPPVOVSA-N 1 0 366.889 2.631 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccns3)cc2F)CC1 ZINC000889123096 734142121 /nfs/dbraw/zinc/14/21/21/734142121.db2.gz JECBOHZQSLBFMX-UHFFFAOYSA-N 1 0 363.462 2.746 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252854 734405456 /nfs/dbraw/zinc/40/54/56/734405456.db2.gz OFZGMXMNPGEFBN-IAGOWNOFSA-N 1 0 367.584 2.710 20 10 FFCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891626837 734454228 /nfs/dbraw/zinc/45/42/28/734454228.db2.gz OLWKEPYEQNDTDX-UHFFFAOYSA-N 1 0 350.459 2.538 20 10 FFCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893442644 734702723 /nfs/dbraw/zinc/70/27/23/734702723.db2.gz YUNBFUDLVWWYAX-CQSZACIVSA-N 1 0 351.443 2.821 20 10 FFCDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3ccc(Br)cc3O)O2)CO1 ZINC000895819658 735059860 /nfs/dbraw/zinc/05/98/60/735059860.db2.gz YRZWELWDXGJPOH-XFJVYGCCSA-N 1 0 356.260 2.971 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1F ZINC000896392580 735151800 /nfs/dbraw/zinc/15/18/00/735151800.db2.gz GUVKWNIDWBWHQN-FZKQIMNGSA-N 1 0 353.413 2.741 20 10 FFCDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370899 735234735 /nfs/dbraw/zinc/23/47/35/735234735.db2.gz ULXINOZROJFZHV-SJLPKXTDSA-N 1 0 350.528 2.980 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000787426441 739135666 /nfs/dbraw/zinc/13/56/66/739135666.db2.gz YQTDOKXDDPVEOL-BPNCWPANSA-N 1 0 353.260 2.549 20 10 FFCDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000752098851 735957124 /nfs/dbraw/zinc/95/71/24/735957124.db2.gz FNXHTKLUZQLTEE-UHFFFAOYSA-N 1 0 374.915 2.787 20 10 FFCDRO Cc1cc(Br)cc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903982400 736199575 /nfs/dbraw/zinc/19/95/75/736199575.db2.gz NZQYFIKMFDPZAY-GHMZBOCLSA-N 1 0 353.182 2.785 20 10 FFCDRO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000755527648 736259296 /nfs/dbraw/zinc/25/92/96/736259296.db2.gz AISRHNSXIXXPQW-MAUKXSAKSA-N 1 0 352.862 2.553 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000756051491 736302360 /nfs/dbraw/zinc/30/23/60/736302360.db2.gz XKAMZZHVXWPCIK-CYBMUJFWSA-N 1 0 370.515 2.644 20 10 FFCDRO C[N@H+](CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CCCC1 ZINC000761246595 736713209 /nfs/dbraw/zinc/71/32/09/736713209.db2.gz LRHFGLMBMVWWQF-UHFFFAOYSA-N 1 0 365.861 2.684 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 ZINC000765278431 737103592 /nfs/dbraw/zinc/10/35/92/737103592.db2.gz ZRWZDDIHNDJNJZ-UHFFFAOYSA-N 1 0 362.470 2.989 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](O)C(F)(F)F ZINC000765790405 737158927 /nfs/dbraw/zinc/15/89/27/737158927.db2.gz WNXJLEZDFSZYPM-SKDRFNHKSA-N 1 0 372.181 2.955 20 10 FFCDRO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765906451 737171573 /nfs/dbraw/zinc/17/15/73/737171573.db2.gz DXGRSVSKERPBDQ-GKVSMKOHSA-N 1 0 358.507 2.982 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1 ZINC000769555962 737541840 /nfs/dbraw/zinc/54/18/40/737541840.db2.gz HZVWKJJXJQOLDU-UHFFFAOYSA-N 1 0 367.559 2.780 20 10 FFCDRO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCOCC1 ZINC000771067235 737691470 /nfs/dbraw/zinc/69/14/70/737691470.db2.gz UJKSREUJFZNGEY-INIZCTEOSA-N 1 0 366.889 2.943 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000773001802 737862534 /nfs/dbraw/zinc/86/25/34/737862534.db2.gz SJCFCRYHVUDWAE-OAHLLOKOSA-N 1 0 361.511 2.820 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921446344 737985850 /nfs/dbraw/zinc/98/58/50/737985850.db2.gz GKRKHJUACUWXSV-STQMWFEESA-N 1 0 372.585 2.504 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000775167382 738068621 /nfs/dbraw/zinc/06/86/21/738068621.db2.gz FSTVYIJKCVUXDY-GFCCVEGCSA-N 1 0 355.356 2.759 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000775527286 738099404 /nfs/dbraw/zinc/09/94/04/738099404.db2.gz PWQIXNIILMTWQB-JKSUJKDBSA-N 1 0 352.862 2.866 20 10 FFCDRO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835751 738130300 /nfs/dbraw/zinc/13/03/00/738130300.db2.gz WTMXUPBJMYDLSP-LBPRGKRZSA-N 1 0 361.467 2.890 20 10 FFCDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000922401129 738138513 /nfs/dbraw/zinc/13/85/13/738138513.db2.gz HHEOHFDCZHPVNG-UKRRQHHQSA-N 1 0 366.259 2.991 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980906 742226418 /nfs/dbraw/zinc/22/64/18/742226418.db2.gz FPYQQJSZWJUXBR-KOLCDFICSA-N 1 0 363.683 2.837 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Br)nc2N)c1 ZINC000930215773 739073945 /nfs/dbraw/zinc/07/39/45/739073945.db2.gz ZGTKMUUMSDQEND-SECBINFHSA-N 1 0 352.232 2.991 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000788566049 739259422 /nfs/dbraw/zinc/25/94/22/739259422.db2.gz YAHDNLOUYMHKTD-VQIMIIECSA-N 1 0 350.528 2.868 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccncc3Br)cc2)CC1 ZINC000792689087 739693822 /nfs/dbraw/zinc/69/38/22/739693822.db2.gz MGLFMBCRZRAQMI-UHFFFAOYSA-N 1 0 361.287 2.630 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)N2CCOCC2)c(C(F)(F)F)c1 ZINC000792890255 739715771 /nfs/dbraw/zinc/71/57/71/739715771.db2.gz KFKXGHBBMNTEHH-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO COc1ccc(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)c(O)c1 ZINC000793387453 739776044 /nfs/dbraw/zinc/77/60/44/739776044.db2.gz DVKQDZFWWWLKJV-UHFFFAOYSA-N 1 0 359.348 2.674 20 10 FFCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1 ZINC000793588288 739796430 /nfs/dbraw/zinc/79/64/30/739796430.db2.gz IPINGQNJHFIRPX-UONOGXRCSA-N 1 0 359.436 2.658 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1C(C)C ZINC000795655419 740049566 /nfs/dbraw/zinc/04/95/66/740049566.db2.gz SLDWZCLBWNOWIW-MRXNPFEDSA-N 1 0 368.543 2.927 20 10 FFCDRO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000796894460 740194156 /nfs/dbraw/zinc/19/41/56/740194156.db2.gz WAILNBBJKTZRML-IRXDYDNUSA-N 1 0 353.482 2.665 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000797070259 740209209 /nfs/dbraw/zinc/20/92/09/740209209.db2.gz KAHNSIWKTLWNPK-UWVGGRQHSA-N 1 0 362.289 2.771 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000797117247 740213759 /nfs/dbraw/zinc/21/37/59/740213759.db2.gz LYGKLZGMYWJHEY-QZTJIDSGSA-N 1 0 353.532 2.607 20 10 FFCDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O ZINC000798000166 740298014 /nfs/dbraw/zinc/29/80/14/740298014.db2.gz ZHTSJMGMMRCKOJ-CYBMUJFWSA-N 1 0 352.431 2.503 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)ccc1N1CCOCC1 ZINC000799333621 740409955 /nfs/dbraw/zinc/40/99/55/740409955.db2.gz DAOZQVGJBCHTEG-UHFFFAOYSA-N 1 0 358.339 2.694 20 10 FFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000804949747 740919536 /nfs/dbraw/zinc/91/95/36/740919536.db2.gz AECSCRMUPRQTGP-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC[C@@H]1CCCO1 ZINC000805011945 740925519 /nfs/dbraw/zinc/92/55/19/740925519.db2.gz YVHOYTVXRQMKTF-HOTGVXAUSA-N 1 0 368.861 2.915 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1C ZINC000808433770 741225504 /nfs/dbraw/zinc/22/55/04/741225504.db2.gz PCUPSRDXPHOCFW-KRWDZBQOSA-N 1 0 360.479 2.556 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000809697892 741333308 /nfs/dbraw/zinc/33/33/08/741333308.db2.gz RBWSVXHEANMVEE-HNNXBMFYSA-N 1 0 367.877 2.824 20 10 FFCDRO COCCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809789934 741343863 /nfs/dbraw/zinc/34/38/63/741343863.db2.gz OEFWVGQJXWQDEO-UHFFFAOYSA-N 1 0 351.447 2.680 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810210076 741398090 /nfs/dbraw/zinc/39/80/90/741398090.db2.gz MUMUTJMPATVHLD-ZWNOBZJWSA-N 1 0 351.390 2.886 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cnn(C)c3Cl)cc2F)CC1 ZINC000815124054 741904475 /nfs/dbraw/zinc/90/44/75/741904475.db2.gz NFPBDQMJNKRVCE-UHFFFAOYSA-N 1 0 365.884 2.644 20 10 FFCDRO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816600725 742046138 /nfs/dbraw/zinc/04/61/38/742046138.db2.gz GBDOVXMTMJTFIK-UHFFFAOYSA-N 1 0 360.479 2.545 20 10 FFCDRO C[NH+](C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccsc1 ZINC000819163971 742346886 /nfs/dbraw/zinc/34/68/86/742346886.db2.gz CYHNKUVDMDCMNO-OAHLLOKOSA-N 1 0 359.451 2.521 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2Cl)C1 ZINC000819291049 742369068 /nfs/dbraw/zinc/36/90/68/742369068.db2.gz PZQZJIJPBNBAKM-NVXWUHKLSA-N 1 0 362.905 2.924 20 10 FFCDRO CC[C@](C)(C(=O)OC)[N@@H+](Cc1cc(OC)c(OC)cc1O)CC1CC1 ZINC000822503348 742745081 /nfs/dbraw/zinc/74/50/81/742745081.db2.gz GNOLCOLMWPYQKW-LJQANCHMSA-N 1 0 351.443 2.963 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000823851701 742990245 /nfs/dbraw/zinc/99/02/45/742990245.db2.gz WMTXEXKGSJANIC-LJQANCHMSA-N 1 0 350.528 2.980 20 10 FFCDRO CCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824547973 743102379 /nfs/dbraw/zinc/10/23/79/743102379.db2.gz GHKIMJVHYBAXAY-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824649739 743122577 /nfs/dbraw/zinc/12/25/77/743122577.db2.gz HTKNFCAYNZNCIP-CYBMUJFWSA-N 1 0 355.276 2.893 20 10 FFCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824767965 743144411 /nfs/dbraw/zinc/14/44/11/743144411.db2.gz CNRFSNBNZHQOPQ-AWEZNQCLSA-N 1 0 353.260 2.742 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000825045518 743200370 /nfs/dbraw/zinc/20/03/70/743200370.db2.gz FXYPMVGUEWIPSX-HIFRSBDPSA-N 1 0 351.834 2.798 20 10 FFCDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825045851 743201060 /nfs/dbraw/zinc/20/10/60/743201060.db2.gz MRQXJWVDAQBFKS-BBRMVZONSA-N 1 0 366.259 2.898 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124676 743214051 /nfs/dbraw/zinc/21/40/51/743214051.db2.gz VUYIRQIBEQAMLU-UFBFGSQYSA-N 1 0 354.166 2.900 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1Cl ZINC000825259117 743237215 /nfs/dbraw/zinc/23/72/15/743237215.db2.gz GONGTTJZGBCFQP-CQSZACIVSA-N 1 0 359.857 2.821 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825291476 743242806 /nfs/dbraw/zinc/24/28/06/743242806.db2.gz LNUMZAUPQAEOJG-RISCZKNCSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)c1O ZINC000825326505 743248656 /nfs/dbraw/zinc/24/86/56/743248656.db2.gz NESKTBHSLMFCGC-DZGCQCFKSA-N 1 0 351.834 2.798 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1Cl ZINC000825425556 743268861 /nfs/dbraw/zinc/26/88/61/743268861.db2.gz BZKVTBVBJOEEQF-AWEZNQCLSA-N 1 0 363.767 2.627 20 10 FFCDRO Cc1cc(O)c(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)cc1Cl ZINC000825530501 743288979 /nfs/dbraw/zinc/28/89/79/743288979.db2.gz NORVGPUWHPHLBJ-UHFFFAOYSA-N 1 0 358.866 2.673 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000825885909 743338381 /nfs/dbraw/zinc/33/83/81/743338381.db2.gz LCLUEHBTQMQSOA-WFASDCNBSA-N 1 0 360.907 2.552 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000827133390 743515966 /nfs/dbraw/zinc/51/59/66/743515966.db2.gz UJIDWLZIUHHEFP-XJKSGUPXSA-N 1 0 355.404 2.872 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)C[NH2+]C2 ZINC000827321330 743554586 /nfs/dbraw/zinc/55/45/86/743554586.db2.gz VFEBUKLSWMDFRQ-UHFFFAOYSA-N 1 0 353.491 2.773 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000831052348 745473392 /nfs/dbraw/zinc/47/33/92/745473392.db2.gz RYFPDGUKSBKNCI-JKSUJKDBSA-N 1 0 358.511 2.919 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccncc2C(F)(F)F)cc1 ZINC000832286312 745672100 /nfs/dbraw/zinc/67/21/00/745672100.db2.gz XZHYUVGNANQHKB-HNNXBMFYSA-N 1 0 352.360 2.596 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)s1 ZINC000835057695 745941576 /nfs/dbraw/zinc/94/15/76/745941576.db2.gz XZTZQLBMBLFEES-UHFFFAOYSA-N 1 0 362.451 2.571 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000840123811 747011455 /nfs/dbraw/zinc/01/14/55/747011455.db2.gz CDHWOZFESSJFHU-UKRRQHHQSA-N 1 0 356.388 2.852 20 10 FFCDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840757440 747174637 /nfs/dbraw/zinc/17/46/37/747174637.db2.gz KICHUZQLVVBZIY-DLBZAZTESA-N 1 0 352.425 2.849 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000840893377 747216450 /nfs/dbraw/zinc/21/64/50/747216450.db2.gz IXDQOSPEQKLVPX-CVEARBPZSA-N 1 0 352.544 2.795 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000840932521 747232687 /nfs/dbraw/zinc/23/26/87/747232687.db2.gz RJMCCCDONBDADU-UHFFFAOYSA-N 1 0 362.495 2.633 20 10 FFCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)nn1 ZINC000840938279 747234705 /nfs/dbraw/zinc/23/47/05/747234705.db2.gz APGUZSWXAZCLSE-GFCCVEGCSA-N 1 0 364.833 2.569 20 10 FFCDRO C[NH2+]CCC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841043633 747259857 /nfs/dbraw/zinc/25/98/57/747259857.db2.gz YXHUURIBHJYNCR-UHFFFAOYSA-N 1 0 352.070 2.616 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841746620 747447467 /nfs/dbraw/zinc/44/74/67/747447467.db2.gz JDZKBLJJRFJASY-ZDUSSCGKSA-N 1 0 368.886 2.983 20 10 FFCDRO COc1ncncc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000842681201 747658487 /nfs/dbraw/zinc/65/84/87/747658487.db2.gz UHJAZMTYDYGWID-MRXNPFEDSA-N 1 0 362.861 2.598 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Cl)cc1O ZINC000842884718 747714375 /nfs/dbraw/zinc/71/43/75/747714375.db2.gz UOUMDXGFIXTHSC-YPMHNXCESA-N 1 0 367.854 2.931 20 10 FFCDRO [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843121700 747776882 /nfs/dbraw/zinc/77/68/82/747776882.db2.gz HQWJLLKWIYRNAO-CYBMUJFWSA-N 1 0 360.285 2.519 20 10 FFCDRO COC/C(C)=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845832351 748333797 /nfs/dbraw/zinc/33/37/97/748333797.db2.gz CEBMRQFNHKQWDF-OIQJVACTSA-N 1 0 352.862 2.719 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846055653 748393370 /nfs/dbraw/zinc/39/33/70/748393370.db2.gz IJEHGQKUPOYTAZ-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H](CO)SC)c1O ZINC000848529474 748950851 /nfs/dbraw/zinc/95/08/51/748950851.db2.gz VGNPPONDMLXYKP-RWEMILLDSA-N 1 0 364.305 2.926 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000848532802 748952361 /nfs/dbraw/zinc/95/23/61/748952361.db2.gz BAIAPJKNNALODF-ZWNOBZJWSA-N 1 0 371.275 2.823 20 10 FFCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848534218 748952959 /nfs/dbraw/zinc/95/29/59/748952959.db2.gz PTRPYFPBCIXDEV-MNOVXSKESA-N 1 0 362.264 2.865 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1O ZINC000848535938 748953425 /nfs/dbraw/zinc/95/34/25/748953425.db2.gz ICUTWDHVYKNFCA-LLVKDONJSA-N 1 0 373.291 2.976 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848535284 748953731 /nfs/dbraw/zinc/95/37/31/748953731.db2.gz YIKRLODYOPNQSD-KOLCDFICSA-N 1 0 369.259 2.577 20 10 FFCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848539394 748954488 /nfs/dbraw/zinc/95/44/88/748954488.db2.gz LIDUTNBYLBWWMW-JTQLQIEISA-N 1 0 373.291 2.976 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848565411 748962196 /nfs/dbraw/zinc/96/21/96/748962196.db2.gz WLTVXAYGPGJUAE-JQWIXIFHSA-N 1 0 365.275 2.800 20 10 FFCDRO CCCCCCNC(=[NH2+])NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000849116272 749057169 /nfs/dbraw/zinc/05/71/69/749057169.db2.gz NALGKLZLIMIOOM-UHFFFAOYSA-N 1 0 354.445 2.996 20 10 FFCDRO COCCN1CCC[C@@H]1C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850117560 749305617 /nfs/dbraw/zinc/30/56/17/749305617.db2.gz HCEGATSAWSWYKK-MRXNPFEDSA-N 1 0 350.503 2.899 20 10 FFCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C[NH3+])C1 ZINC000851655430 749642658 /nfs/dbraw/zinc/64/26/58/749642658.db2.gz VKSKMFSAYMFXOD-QAPCUYQASA-N 1 0 362.543 2.509 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCC(=O)NCC(C)C)CC2)cc1F ZINC000851807462 749682185 /nfs/dbraw/zinc/68/21/85/749682185.db2.gz GPWGJOGRIGJACX-UHFFFAOYSA-N 1 0 351.466 2.509 20 10 FFCDRO C[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000895635955 970808134 /nfs/dbraw/zinc/80/81/34/970808134.db2.gz PJUMCOIFNRXVHS-OXQOHEQNSA-N 1 0 369.513 2.853 20 10 FFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000895948015 971095391 /nfs/dbraw/zinc/09/53/91/971095391.db2.gz KKYRGVUYHGQQML-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000896363040 971457647 /nfs/dbraw/zinc/45/76/47/971457647.db2.gz WHDJYVHGNSVRBS-LJQANCHMSA-N 1 0 358.438 2.765 20 10 FFCDRO CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275893310 1013150078 /nfs/dbraw/zinc/15/00/78/1013150078.db2.gz VETXUSVISRMABJ-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO CC(C)CN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275896586 1013157535 /nfs/dbraw/zinc/15/75/35/1013157535.db2.gz ZNMHVPJVJLYEAZ-GOSISDBHSA-N 1 0 352.862 2.505 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H](O)C2CC2)C1 ZINC000683490515 960785792 /nfs/dbraw/zinc/78/57/92/960785792.db2.gz QVLQTXKKLZWSNV-OAQYLSRUSA-N 1 0 369.509 2.637 20 10 FFCDRO C/C(=C\c1ccncc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246974 962569599 /nfs/dbraw/zinc/56/95/99/962569599.db2.gz RCCBXJAZGHBRDI-KETLNSEPSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nn(C)c3ccccc32)[NH+](C)C)cc1 ZINC000891247818 962580625 /nfs/dbraw/zinc/58/06/25/962580625.db2.gz VMQKONXDJPZXAV-LJQANCHMSA-N 1 0 365.481 2.672 20 10 FFCDRO CC(C)c1nnc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891251571 962601150 /nfs/dbraw/zinc/60/11/50/962601150.db2.gz GZPZJLABPZABNL-KRWDZBQOSA-N 1 0 373.501 2.611 20 10 FFCDRO COc1cccc([C@H](O)C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873048713 1013363777 /nfs/dbraw/zinc/36/37/77/1013363777.db2.gz JDVWVHZHWWCTHR-HXUWFJFHSA-N 1 0 367.449 2.772 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cn[nH]c2)cc1C ZINC001087127504 962764131 /nfs/dbraw/zinc/76/41/31/962764131.db2.gz VIXQNOULTRSFFG-KDOFPFPSSA-N 1 0 356.470 2.757 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1Cn1cccn1 ZINC000873095043 1013382788 /nfs/dbraw/zinc/38/27/88/1013382788.db2.gz QNUNPPALRHNEIX-LJQANCHMSA-N 1 0 363.465 2.704 20 10 FFCDRO CC(=O)[C@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276064032 1013387855 /nfs/dbraw/zinc/38/78/55/1013387855.db2.gz PBQSMMYPECBAIU-AWEZNQCLSA-N 1 0 362.445 2.713 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2O)C1=O ZINC001276064981 1013393710 /nfs/dbraw/zinc/39/37/10/1013393710.db2.gz YRVBYRGIFSAWJK-IBGZPJMESA-N 1 0 350.434 2.523 20 10 FFCDRO COc1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1Cn1cccn1 ZINC000873130628 1013394847 /nfs/dbraw/zinc/39/48/47/1013394847.db2.gz FCMKNYJQZGPRAA-CTNGQTDRSA-N 1 0 355.482 2.827 20 10 FFCDRO CN(C)C(=O)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167431269 963090441 /nfs/dbraw/zinc/09/04/41/963090441.db2.gz OYIQJNTVXXRCQM-UHFFFAOYSA-N 1 0 352.482 2.752 20 10 FFCDRO COC(=O)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1OC ZINC001167434696 963184687 /nfs/dbraw/zinc/18/46/87/963184687.db2.gz SJWJTNFHFVVQAC-UHFFFAOYSA-N 1 0 369.465 2.846 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cn(C)cn2)cc1C ZINC001087149586 963636573 /nfs/dbraw/zinc/63/65/73/963636573.db2.gz UOGRSZMQMMKEPE-QAPCUYQASA-N 1 0 370.497 2.768 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@]34CCN(CC(F)F)C4=O)ccc21 ZINC001276112393 1013474720 /nfs/dbraw/zinc/47/47/20/1013474720.db2.gz VPEORCLFRIXZMT-FQEVSTJZSA-N 1 0 363.452 2.901 20 10 FFCDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000078999235 964302324 /nfs/dbraw/zinc/30/23/24/964302324.db2.gz WFFKQGGNMMVLBR-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(O)c1OC ZINC000891532487 964437501 /nfs/dbraw/zinc/43/75/01/964437501.db2.gz YQGKAVLYPYZTMH-OAHLLOKOSA-N 1 0 368.437 2.832 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000891533897 964439885 /nfs/dbraw/zinc/43/98/85/964439885.db2.gz HMYLFCVJWSYBCX-AWEZNQCLSA-N 1 0 372.435 2.716 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891589683 964522426 /nfs/dbraw/zinc/52/24/26/964522426.db2.gz LUPONWDNFYZWEZ-NRFANRHFSA-N 1 0 354.498 2.738 20 10 FFCDRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891613643 964588665 /nfs/dbraw/zinc/58/86/65/964588665.db2.gz GXDZSQNXVDYMGO-UHFFFAOYSA-N 1 0 364.486 2.928 20 10 FFCDRO Cc1cnccc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894319312 964699330 /nfs/dbraw/zinc/69/93/30/964699330.db2.gz QSNOPIKFAOUVCV-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)c(O)c1OC ZINC000891939580 965446940 /nfs/dbraw/zinc/44/69/40/965446940.db2.gz BLKSUONQRJGFSY-INIZCTEOSA-N 1 0 356.422 2.647 20 10 FFCDRO CCOc1ccc(O)c(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000124642009 1013623525 /nfs/dbraw/zinc/62/35/25/1013623525.db2.gz KEUXHTNZMHWKRN-UHFFFAOYSA-N 1 0 371.437 2.873 20 10 FFCDRO COc1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)c(O)c1OC ZINC000892279674 966788228 /nfs/dbraw/zinc/78/82/28/966788228.db2.gz BJTYDOHGCRDKIN-UHFFFAOYSA-N 1 0 372.465 2.978 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1F ZINC000177279387 969157355 /nfs/dbraw/zinc/15/73/55/969157355.db2.gz LKSWIPZQWKYJPG-UHFFFAOYSA-N 1 0 371.456 2.858 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccccc2CN2CCCC2=O)c(O)c1OC ZINC000892547047 969462273 /nfs/dbraw/zinc/46/22/73/969462273.db2.gz UOZMWHZCWHJHMA-UHFFFAOYSA-N 1 0 370.449 2.822 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000164199851 969742536 /nfs/dbraw/zinc/74/25/36/969742536.db2.gz TTXKFOZKLJESLX-WBVHZDCISA-N 1 0 352.438 2.807 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000892730913 970259220 /nfs/dbraw/zinc/25/92/20/970259220.db2.gz TVMMHSYRQCSGLA-ZYSHUDEJSA-N 1 0 364.461 2.808 20 10 FFCDRO COc1ccc(-n2ccc(C[NH2+]Cc3ccc(OC)c(OC)c3O)n2)cc1 ZINC000892927605 970376517 /nfs/dbraw/zinc/37/65/17/970376517.db2.gz ASAVDTJNEPBWKH-UHFFFAOYSA-N 1 0 369.421 2.894 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000892966158 970445899 /nfs/dbraw/zinc/44/58/99/970445899.db2.gz RLPBFCLYCUEQSM-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000840153974 970514580 /nfs/dbraw/zinc/51/45/80/970514580.db2.gz SPVBHNIVWQPHLI-UHFFFAOYSA-N 1 0 365.393 2.566 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC001141804197 970592911 /nfs/dbraw/zinc/59/29/11/970592911.db2.gz UWFWVNABKVUWNX-GOSISDBHSA-N 1 0 361.555 2.978 20 10 FFCDRO COC(=O)c1c(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)c2cc(F)ccc2n1C ZINC000895456519 970635455 /nfs/dbraw/zinc/63/54/55/970635455.db2.gz GCGDHRIITIOLLF-SZZPBAKOSA-N 1 0 374.412 2.535 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)COCc1ccco1)C[C@@H]1CCCO1 ZINC000122823986 970748487 /nfs/dbraw/zinc/74/84/87/970748487.db2.gz NEAGYEHQBBZIKU-ROUUACIJSA-N 1 0 361.438 2.544 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000178422826 974312537 /nfs/dbraw/zinc/31/25/37/974312537.db2.gz PTKICGOVLOATHP-KRWDZBQOSA-N 1 0 371.529 2.600 20 10 FFCDRO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([O-])[nH]c(=O)c3)[C@@H]2C1 ZINC001271796121 974341952 /nfs/dbraw/zinc/34/19/52/974341952.db2.gz DOMWCVJWEGSSDZ-HLLBOEOZSA-N 1 0 361.486 2.856 20 10 FFCDRO CN(CCCF)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000888730443 1014283803 /nfs/dbraw/zinc/28/38/03/1014283803.db2.gz DLBKHYFROAFUQF-UHFFFAOYSA-N 1 0 362.493 2.720 20 10 FFCDRO COCC[NH+]1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000138582198 976313762 /nfs/dbraw/zinc/31/37/62/976313762.db2.gz LAVBXSPBXHPYIZ-UHFFFAOYSA-N 1 0 355.482 2.935 20 10 FFCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000759969247 976476957 /nfs/dbraw/zinc/47/69/57/976476957.db2.gz ILZBAYGYLDSLGU-WMZOPIPTSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cnc4c(c3)c(C)nn4C)CC2)cc1 ZINC000261373445 976759967 /nfs/dbraw/zinc/75/99/67/976759967.db2.gz JJGFCIZVNWIVON-UHFFFAOYSA-N 1 0 365.481 2.998 20 10 FFCDRO COc1cccc(C(=O)N2CCC([NH2+]Cc3cccc(O)c3O)CC2)c1 ZINC001167857262 976903721 /nfs/dbraw/zinc/90/37/21/976903721.db2.gz NKDBBWOYWJGLIS-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CC[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000899104696 976915563 /nfs/dbraw/zinc/91/55/63/976915563.db2.gz SGPONQPHKYEMGH-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876737648 1014371840 /nfs/dbraw/zinc/37/18/40/1014371840.db2.gz SVYFXKDDPXHMAR-JOCHJYFZSA-N 1 0 370.493 2.822 20 10 FFCDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876885564 1014409168 /nfs/dbraw/zinc/40/91/68/1014409168.db2.gz OXBSZBJTEYYEAC-MRXNPFEDSA-N 1 0 368.481 2.630 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000876980094 1014440038 /nfs/dbraw/zinc/44/00/38/1014440038.db2.gz WTMVDOOLJHFNHX-UHFFFAOYSA-N 1 0 356.466 2.701 20 10 FFCDRO C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000729343809 978246912 /nfs/dbraw/zinc/24/69/12/978246912.db2.gz BTRHJWAKWHUXQC-SFHVURJKSA-N 1 0 359.514 2.967 20 10 FFCDRO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877130056 1014482355 /nfs/dbraw/zinc/48/23/55/1014482355.db2.gz IDMSUBJVQZAOLL-UHFFFAOYSA-N 1 0 356.514 2.720 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3COc4cc(F)ccc4C3)cc2)CC1 ZINC000877630832 1014652278 /nfs/dbraw/zinc/65/22/78/1014652278.db2.gz NOGIDMNGOKBFBQ-GOSISDBHSA-N 1 0 356.441 2.880 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000729603911 980434843 /nfs/dbraw/zinc/43/48/43/980434843.db2.gz XYTDXUKAKVAEIB-MSOLQXFVSA-N 1 0 374.529 2.615 20 10 FFCDRO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001272043579 980577549 /nfs/dbraw/zinc/57/75/49/980577549.db2.gz HKRYKEFKPMGMMC-SOUVJXGZSA-N 1 0 362.470 2.919 20 10 FFCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC2(CC1)OCCO2 ZINC000897720673 982485003 /nfs/dbraw/zinc/48/50/03/982485003.db2.gz YSZIKWYKFFCLKX-UHFFFAOYSA-N 1 0 360.498 2.936 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000826020874 1014847634 /nfs/dbraw/zinc/84/76/34/1014847634.db2.gz XXVWZJZMFYYLNG-MRXNPFEDSA-N 1 0 355.486 2.605 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)cc1F ZINC000878180803 1014904076 /nfs/dbraw/zinc/90/40/76/1014904076.db2.gz HIMSPAQAJFHUCV-KRWDZBQOSA-N 1 0 364.461 2.542 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1 ZINC000911668226 983863782 /nfs/dbraw/zinc/86/37/82/983863782.db2.gz WQKTVJPJFNNLNS-HNNXBMFYSA-N 1 0 366.387 2.525 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000073021421 983986655 /nfs/dbraw/zinc/98/66/55/983986655.db2.gz PDJIMSQPSQKOOR-OAQYLSRUSA-N 1 0 370.493 2.703 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000163907120 984313166 /nfs/dbraw/zinc/31/31/66/984313166.db2.gz ZMLWSCCSKRSBIS-SFHVURJKSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000164020201 984317953 /nfs/dbraw/zinc/31/79/53/984317953.db2.gz HQWDBWAHZILGII-UHFFFAOYSA-N 1 0 361.486 2.873 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCCCC3)CC2)cc1 ZINC000045126640 984405746 /nfs/dbraw/zinc/40/57/46/984405746.db2.gz IZZVBPZNKSCCFF-UHFFFAOYSA-N 1 0 374.529 2.793 20 10 FFCDRO C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000764460628 984506087 /nfs/dbraw/zinc/50/60/87/984506087.db2.gz NGGGOEWWDTWRQF-LSTHTHJFSA-N 1 0 359.514 2.600 20 10 FFCDRO Oc1ccc(N2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000157904947 984706749 /nfs/dbraw/zinc/70/67/49/984706749.db2.gz GTMLIKCWJOOSDZ-UHFFFAOYSA-N 1 0 371.456 2.690 20 10 FFCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(C)(C)O1 ZINC000765253741 985006699 /nfs/dbraw/zinc/00/66/99/985006699.db2.gz LWHYBYYLLLAFKC-WMZOPIPTSA-N 1 0 359.514 2.824 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cn2)CCO1 ZINC000921532324 985198351 /nfs/dbraw/zinc/19/83/51/985198351.db2.gz FZOOLLZGLFCVNG-MRXNPFEDSA-N 1 0 353.466 2.922 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)[C@H](C)C1 ZINC001596916597 985947696 /nfs/dbraw/zinc/94/76/96/985947696.db2.gz GHUGBTCZYWNNNJ-VKJFTORMSA-N 1 0 364.486 2.878 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000999413127 986499211 /nfs/dbraw/zinc/49/92/11/986499211.db2.gz QSNZIESNJIRUEO-GGPKGHCWSA-N 1 0 360.498 2.899 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913685658 986828683 /nfs/dbraw/zinc/82/86/83/986828683.db2.gz ACFPSFPYFBRZOK-AZGCOUAMSA-N 1 0 350.418 2.596 20 10 FFCDRO CC(C)(C)c1cccc(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1O ZINC001143112077 987613490 /nfs/dbraw/zinc/61/34/90/987613490.db2.gz JJCWYCBZICMVQQ-UHFFFAOYSA-N 1 0 373.541 2.851 20 10 FFCDRO CCc1onc(C)c1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879049644 1015340401 /nfs/dbraw/zinc/34/04/01/1015340401.db2.gz GZFOBERMELSHFH-UHFFFAOYSA-N 1 0 357.458 2.619 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)[nH]c3C)CC2)cc1 ZINC000915139805 988248465 /nfs/dbraw/zinc/24/84/65/988248465.db2.gz MVXPAEFFJODMFL-UHFFFAOYSA-N 1 0 370.497 2.582 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@]34C[C@H]3COC4)CC2)cc1C ZINC001034652719 990154194 /nfs/dbraw/zinc/15/41/94/990154194.db2.gz VDEYGKDFIPIKLZ-NTLWEQJWSA-N 1 0 358.482 2.557 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000154744356 990417784 /nfs/dbraw/zinc/41/77/84/990417784.db2.gz PFYASKNGKXQWMF-OAHLLOKOSA-N 1 0 358.461 2.974 20 10 FFCDRO CN(Cc1ccc(I)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217350 990702619 /nfs/dbraw/zinc/70/26/19/990702619.db2.gz PFWKUWZJUZPYNL-QWHCGFSZSA-N 1 0 360.239 2.699 20 10 FFCDRO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)cc12 ZINC000237620093 991290653 /nfs/dbraw/zinc/29/06/53/991290653.db2.gz DVLPAYSUACAKKB-HNNXBMFYSA-N 1 0 365.481 2.964 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000180219579 991456363 /nfs/dbraw/zinc/45/63/63/991456363.db2.gz HEVGTKAOOMXIIQ-CYBMUJFWSA-N 1 0 362.376 2.964 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000068548845 991465804 /nfs/dbraw/zinc/46/58/04/991465804.db2.gz YGIBRHHEUNXJKE-INIZCTEOSA-N 1 0 372.513 2.510 20 10 FFCDRO COC(=O)CN(CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000181022588 991587599 /nfs/dbraw/zinc/58/75/99/991587599.db2.gz BOGBJCLMGNCIHH-UHFFFAOYSA-N 1 0 368.477 2.741 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC000879732180 1015657298 /nfs/dbraw/zinc/65/72/98/1015657298.db2.gz VFOYIBJGOPAYQG-LJQANCHMSA-N 1 0 359.514 2.792 20 10 FFCDRO CC1CC[NH+](CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127990257 1015667599 /nfs/dbraw/zinc/66/75/99/1015667599.db2.gz UNSNVHFMVHBCKY-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182326077 992009522 /nfs/dbraw/zinc/00/95/22/992009522.db2.gz AYBSNMKSJYVGBB-CQSZACIVSA-N 1 0 358.438 2.514 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCCN(C)c2ccccc2)c1 ZINC000182337699 992014178 /nfs/dbraw/zinc/01/41/78/992014178.db2.gz WUSHJQZABNWYKV-MRXNPFEDSA-N 1 0 371.481 2.694 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182641653 992211175 /nfs/dbraw/zinc/21/11/75/992211175.db2.gz BRROCAQDDFBJFM-CABCVRRESA-N 1 0 361.486 2.853 20 10 FFCDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809688173 994580535 /nfs/dbraw/zinc/58/05/35/994580535.db2.gz CYTREMKAJPPSML-LJQANCHMSA-N 1 0 374.506 2.915 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC(C)C)cc1OC ZINC000809720843 994593798 /nfs/dbraw/zinc/59/37/98/994593798.db2.gz OECDWFRWTXTFRW-HNNXBMFYSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1O ZINC000809740121 994601407 /nfs/dbraw/zinc/60/14/07/994601407.db2.gz LUMFGGRLUHIDQN-UHFFFAOYSA-N 1 0 370.449 2.692 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CCCCO3)C[C@H]2C)cc1C ZINC001082470640 994697048 /nfs/dbraw/zinc/69/70/48/994697048.db2.gz WJWWFSAVJOMHIV-BHIYHBOVSA-N 1 0 360.498 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cncs3)C[C@H]2C)cc1C ZINC001082577124 994972102 /nfs/dbraw/zinc/97/21/02/994972102.db2.gz DJFYMSZQGQLPDV-RHSMWYFYSA-N 1 0 359.495 2.639 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3n[nH]cc3C)C2)cc1C ZINC001086693761 995119684 /nfs/dbraw/zinc/11/96/84/995119684.db2.gz LELQZLSMGMOAAN-DLBZAZTESA-N 1 0 356.470 2.723 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCC(C)(C)CO3)cc2)CC1 ZINC001132903151 995199523 /nfs/dbraw/zinc/19/95/23/995199523.db2.gz UNFVQRBOQXDTOC-LJQANCHMSA-N 1 0 359.514 2.650 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCc1ccccc1O3)[C@@H](O)CO2 ZINC000811782569 995243688 /nfs/dbraw/zinc/24/36/88/995243688.db2.gz OTWAKVVRNWHWHA-RXVVDRJESA-N 1 0 353.418 2.788 20 10 FFCDRO C[C@H]1Cc2cccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)c2O1 ZINC001133123486 995333126 /nfs/dbraw/zinc/33/31/26/995333126.db2.gz NWEAHXUQWBEDTJ-INIZCTEOSA-N 1 0 365.477 2.692 20 10 FFCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000812756963 995529404 /nfs/dbraw/zinc/52/94/04/995529404.db2.gz HSEJVKWYGVCEJS-MRXNPFEDSA-N 1 0 371.456 2.826 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3cccs3)cc2F)CC1 ZINC001116115402 1032135043 /nfs/dbraw/zinc/13/50/43/1032135043.db2.gz LFUQRGLRPMLSOG-LJQANCHMSA-N 1 0 363.502 2.636 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824435565 996937920 /nfs/dbraw/zinc/93/79/20/996937920.db2.gz UUBBCCXWBMVXAT-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000824586621 997000455 /nfs/dbraw/zinc/00/04/55/997000455.db2.gz VEJGFYWDHHTUND-IMFGXOCKSA-N 1 0 358.530 2.728 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1OC ZINC000824634594 997021005 /nfs/dbraw/zinc/02/10/05/997021005.db2.gz AYUIQFMBWYXKSL-OXJNMPFZSA-N 1 0 361.413 2.709 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824830471 997118030 /nfs/dbraw/zinc/11/80/30/997118030.db2.gz TYBSWQYQCASTAQ-JSGCOSHPSA-N 1 0 372.387 2.634 20 10 FFCDRO COC(=O)c1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cc1F ZINC000826845128 1016100509 /nfs/dbraw/zinc/10/05/09/1016100509.db2.gz GFJWSPICOOSHGQ-HNNXBMFYSA-N 1 0 358.413 2.989 20 10 FFCDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825129894 997225632 /nfs/dbraw/zinc/22/56/32/997225632.db2.gz HMLIHNSBBDMCRP-DOTOQJQBSA-N 1 0 363.458 2.557 20 10 FFCDRO C[N@@H+]1C[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC000844048986 997624846 /nfs/dbraw/zinc/62/48/46/997624846.db2.gz GZNXCRKINNPWJM-NTJYLGOCSA-N 1 0 352.434 2.573 20 10 FFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173884 997693784 /nfs/dbraw/zinc/69/37/84/997693784.db2.gz BWZPRBKJVURAEI-OAQYLSRUSA-N 1 0 367.493 2.520 20 10 FFCDRO CC(C)COc1ncccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844162719 997706210 /nfs/dbraw/zinc/70/62/10/997706210.db2.gz NGJNYRIWERSUKP-GOSISDBHSA-N 1 0 356.470 2.612 20 10 FFCDRO NC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848388 998276715 /nfs/dbraw/zinc/27/67/15/998276715.db2.gz XTCSLPIBNVPFNC-UHFFFAOYSA-N 1 0 367.449 2.874 20 10 FFCDRO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000732202728 998545528 /nfs/dbraw/zinc/54/55/28/998545528.db2.gz FJBQUKAEXVURRR-CQSZACIVSA-N 1 0 356.422 2.946 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144503781 998612146 /nfs/dbraw/zinc/61/21/46/998612146.db2.gz CSCQEMKAVUTHLH-DOMZBBRYSA-N 1 0 364.442 2.635 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)c(O)c1 ZINC001144515319 998627762 /nfs/dbraw/zinc/62/77/62/998627762.db2.gz JVKITIXXTXUWDM-UHFFFAOYSA-N 1 0 350.802 2.895 20 10 FFCDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000733330810 998964353 /nfs/dbraw/zinc/96/43/53/998964353.db2.gz OMKUZVFGZQSVSG-HNAYVOBHSA-N 1 0 374.506 2.928 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)n(C)n2)cc1C ZINC001085145695 999022267 /nfs/dbraw/zinc/02/22/67/999022267.db2.gz FBOAESOALDOFCH-QZTJIDSGSA-N 1 0 370.497 2.876 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnnc(C)c2)cc1C ZINC001085182679 999076076 /nfs/dbraw/zinc/07/60/76/999076076.db2.gz NABLNCCEMDDTIJ-RTBURBONSA-N 1 0 368.481 2.933 20 10 FFCDRO C[C@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000734002830 999171155 /nfs/dbraw/zinc/17/11/55/999171155.db2.gz QABSCISIQQAJJX-INIZCTEOSA-N 1 0 363.477 2.543 20 10 FFCDRO COC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000739921035 999657946 /nfs/dbraw/zinc/65/79/46/999657946.db2.gz LQDNPJVCRVAVLF-MRXNPFEDSA-N 1 0 370.449 2.974 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(=O)NCc2ccco2)cc1 ZINC000741678228 999737350 /nfs/dbraw/zinc/73/73/50/999737350.db2.gz MQQMLWSPGHHVLU-UHFFFAOYSA-N 1 0 372.469 2.584 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1 ZINC000741805449 999744972 /nfs/dbraw/zinc/74/49/72/999744972.db2.gz OUHRQNMUVDZPPH-UHFFFAOYSA-N 1 0 370.497 2.582 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc3c(cc2O)CCC3)cc1 ZINC000743392629 999816780 /nfs/dbraw/zinc/81/67/80/999816780.db2.gz SDVFKHGMZPRZPA-UHFFFAOYSA-N 1 0 374.506 2.600 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1C ZINC000103134389 1000032727 /nfs/dbraw/zinc/03/27/27/1000032727.db2.gz GMBGNZLFEVCVMB-UHFFFAOYSA-N 1 0 359.514 2.576 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)nn1 ZINC000767796297 1000146320 /nfs/dbraw/zinc/14/63/20/1000146320.db2.gz ROKZEHGMXIGUGZ-MRXNPFEDSA-N 1 0 374.872 2.847 20 10 FFCDRO CC1CC([NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 ZINC000768201809 1000191143 /nfs/dbraw/zinc/19/11/43/1000191143.db2.gz VOPXJACINBBEGU-UHFFFAOYSA-N 1 0 355.461 2.830 20 10 FFCDRO CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000846002270 1000192865 /nfs/dbraw/zinc/19/28/65/1000192865.db2.gz PWVGDLPOAFIJLI-MRXNPFEDSA-N 1 0 374.481 2.547 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1O ZINC000846140372 1000217828 /nfs/dbraw/zinc/21/78/28/1000217828.db2.gz PMIZHLGYMPJIIJ-CABCVRRESA-N 1 0 357.454 2.872 20 10 FFCDRO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)c1 ZINC000846142271 1000218544 /nfs/dbraw/zinc/21/85/44/1000218544.db2.gz ZPDFGUODXGASBI-AWEZNQCLSA-N 1 0 358.438 2.767 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1O ZINC000846146430 1000219074 /nfs/dbraw/zinc/21/90/74/1000219074.db2.gz RQNFNDUJIMEJSR-OAHLLOKOSA-N 1 0 370.449 2.724 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c1O ZINC000846147313 1000219609 /nfs/dbraw/zinc/21/96/09/1000219609.db2.gz VGQALANBVUZGJF-HKUYNNGSSA-N 1 0 370.493 2.995 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768447947 1000250145 /nfs/dbraw/zinc/25/01/45/1000250145.db2.gz RYMNOJACQADSSD-GQIGUUNPSA-N 1 0 360.498 2.904 20 10 FFCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000768464612 1000262663 /nfs/dbraw/zinc/26/26/63/1000262663.db2.gz DAKSWYGDSPGFPN-XFQAVAEZSA-N 1 0 368.477 2.913 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000846309975 1000264743 /nfs/dbraw/zinc/26/47/43/1000264743.db2.gz IBSWXJLVJGVTOW-UHFFFAOYSA-N 1 0 368.481 2.941 20 10 FFCDRO Cc1cccc2[nH]cc(CC(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)c21 ZINC000846662988 1000403086 /nfs/dbraw/zinc/40/30/86/1000403086.db2.gz CMYHOFRDVCHJJL-SFHVURJKSA-N 1 0 350.466 2.901 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2ccc3ccc(F)cc32)cc1 ZINC000846663835 1000403968 /nfs/dbraw/zinc/40/39/68/1000403968.db2.gz PJDQGMFUTJJCFV-GOSISDBHSA-N 1 0 354.429 2.663 20 10 FFCDRO C[C@@H](COCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000846663902 1000404079 /nfs/dbraw/zinc/40/40/79/1000404079.db2.gz RFKYNSGGCABMPO-JXFKEZNVSA-N 1 0 355.482 2.689 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000846674250 1000405680 /nfs/dbraw/zinc/40/56/80/1000405680.db2.gz VKBUMIIVRVKDCE-AWEZNQCLSA-N 1 0 367.440 2.763 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000846674862 1000406107 /nfs/dbraw/zinc/40/61/07/1000406107.db2.gz WETNUTKAJKQQQZ-LSDHHAIUSA-N 1 0 367.440 2.763 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H](N)CC[NH+](C)C ZINC000846677065 1000406149 /nfs/dbraw/zinc/40/61/49/1000406149.db2.gz MUVOGGPYJNTIGM-LPHOPBHVSA-N 1 0 355.482 2.761 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000846674676 1000406392 /nfs/dbraw/zinc/40/63/92/1000406392.db2.gz TUPLMKFFHRWYOV-JJRVBVJISA-N 1 0 367.440 2.891 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000846663225 1000408599 /nfs/dbraw/zinc/40/85/99/1000408599.db2.gz FOALZNOHIBYUBL-SFHVURJKSA-N 1 0 354.429 2.732 20 10 FFCDRO CCCCCC[N@H+](CCN1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000769110380 1000436244 /nfs/dbraw/zinc/43/62/44/1000436244.db2.gz XLCUQHYTMADOIH-UHFFFAOYSA-N 1 0 364.486 2.835 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+](C)C3(CCCCC3)C2)cc1 ZINC000846947795 1000494446 /nfs/dbraw/zinc/49/44/46/1000494446.db2.gz VVDLYMYKKNUZPA-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000769382246 1000504118 /nfs/dbraw/zinc/50/41/18/1000504118.db2.gz WJTIVPWOCHIMPE-IBGZPJMESA-N 1 0 362.537 2.884 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000769817922 1000598295 /nfs/dbraw/zinc/59/82/95/1000598295.db2.gz ZKTZWVIJVSATOT-MRXNPFEDSA-N 1 0 373.449 2.958 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnc(C)n3)C2)cc1C ZINC001086879213 1001295861 /nfs/dbraw/zinc/29/58/61/1001295861.db2.gz YSEVIXQCCXPJGE-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000788586155 1001828857 /nfs/dbraw/zinc/82/88/57/1001828857.db2.gz YRURJTFQJVLRSQ-SZNDQCEHSA-N 1 0 367.449 2.914 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000774520047 1001966285 /nfs/dbraw/zinc/96/62/85/1001966285.db2.gz YSULHGYREDQWFR-MCIONIFRSA-N 1 0 374.441 2.767 20 10 FFCDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(O)c1O ZINC000790698053 1002463672 /nfs/dbraw/zinc/46/36/72/1002463672.db2.gz MGNDKHWLGLIOAC-UHFFFAOYSA-N 1 0 356.422 2.502 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c(O)c1 ZINC000791011382 1002544008 /nfs/dbraw/zinc/54/40/08/1002544008.db2.gz RKYRXAGYXFKKPE-LJQANCHMSA-N 1 0 354.450 2.990 20 10 FFCDRO OCC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1CO ZINC001184363754 1002568257 /nfs/dbraw/zinc/56/82/57/1002568257.db2.gz BUMFOTCTBZVDFG-YADHBBJMSA-N 1 0 366.505 2.672 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC3(C)CC3)cc2F)CC1 ZINC000792074787 1002899127 /nfs/dbraw/zinc/89/91/27/1002899127.db2.gz LKTMSLHKWJQVBF-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)cc1OC ZINC000793620971 1003447033 /nfs/dbraw/zinc/44/70/33/1003447033.db2.gz VFHYJTJMJWLKAN-SFHVURJKSA-N 1 0 356.466 2.768 20 10 FFCDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000793734244 1003486499 /nfs/dbraw/zinc/48/64/99/1003486499.db2.gz SVOLKTUGYGKTDV-BFUOFWGJSA-N 1 0 358.413 2.668 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4c(c(OC)c3)OCO4)C2)cc1 ZINC000850346879 1005809086 /nfs/dbraw/zinc/80/90/86/1005809086.db2.gz YTZNEFWTBWSAAI-HNNXBMFYSA-N 1 0 356.422 2.801 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cc2)CC1 ZINC000850406509 1005813831 /nfs/dbraw/zinc/81/38/31/1005813831.db2.gz JYULWSMFJBPUIL-UHFFFAOYSA-N 1 0 352.438 2.921 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c(O)c1 ZINC000850414382 1005814160 /nfs/dbraw/zinc/81/41/60/1005814160.db2.gz NABLBCUZBVUDOM-FQEVSTJZSA-N 1 0 369.509 2.697 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2O)cc1 ZINC000850480928 1005818062 /nfs/dbraw/zinc/81/80/62/1005818062.db2.gz CSTOXIIYIYEULD-PBHICJAKSA-N 1 0 363.429 2.811 20 10 FFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000850492963 1005818416 /nfs/dbraw/zinc/81/84/16/1005818416.db2.gz RTZHDRBZPDTGPV-KXBFYZLASA-N 1 0 366.477 2.755 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)c(O)c1 ZINC000850557608 1005822447 /nfs/dbraw/zinc/82/24/47/1005822447.db2.gz XBNILPSVLOXTKX-GCJKJVERSA-N 1 0 370.493 2.615 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)cc(C[NH3+])c3)C2)cc1 ZINC000850755354 1005836270 /nfs/dbraw/zinc/83/62/70/1005836270.db2.gz GOERHGXRVNUGRJ-MRXNPFEDSA-N 1 0 354.454 2.863 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000850762233 1005837590 /nfs/dbraw/zinc/83/75/90/1005837590.db2.gz HGLXBKURKICLPR-ORAYPTAESA-N 1 0 371.437 2.511 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000851987802 1005929932 /nfs/dbraw/zinc/92/99/32/1005929932.db2.gz QFKSHPZEBPNAFI-FQEVSTJZSA-N 1 0 374.529 2.585 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000851987804 1005930108 /nfs/dbraw/zinc/93/01/08/1005930108.db2.gz QFKSHPZEBPNAFI-HXUWFJFHSA-N 1 0 374.529 2.585 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000852138079 1005944400 /nfs/dbraw/zinc/94/44/00/1005944400.db2.gz GFISRMDOLKOJFC-HXUWFJFHSA-N 1 0 368.525 2.984 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C)nc(C)c3)C2)cc1 ZINC000852384879 1006001537 /nfs/dbraw/zinc/00/15/37/1006001537.db2.gz HUIUFGLGBQITQY-KRWDZBQOSA-N 1 0 354.454 2.785 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000852465865 1006039166 /nfs/dbraw/zinc/03/91/66/1006039166.db2.gz MOMWDGCZYFEAGH-SFHVURJKSA-N 1 0 374.529 2.537 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000852465864 1006039236 /nfs/dbraw/zinc/03/92/36/1006039236.db2.gz MOMWDGCZYFEAGH-GOSISDBHSA-N 1 0 374.529 2.537 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000813789375 1006039791 /nfs/dbraw/zinc/03/97/91/1006039791.db2.gz RARKZIFTODCBHS-STQMWFEESA-N 1 0 368.405 2.558 20 10 FFCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CC1 ZINC000852598738 1006097087 /nfs/dbraw/zinc/09/70/87/1006097087.db2.gz YJNOHYMRJPRLAC-SFHVURJKSA-N 1 0 362.493 2.955 20 10 FFCDRO O=C(C=C1CC[NH2+]CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852869281 1006212945 /nfs/dbraw/zinc/21/29/45/1006212945.db2.gz BAWIDVZETWACCE-HNNXBMFYSA-N 1 0 365.424 2.683 20 10 FFCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121369 1006304795 /nfs/dbraw/zinc/30/47/95/1006304795.db2.gz CZCRFMLPMGBPDJ-VGOFRKELSA-N 1 0 354.494 2.902 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1F ZINC000853122973 1006305350 /nfs/dbraw/zinc/30/53/50/1006305350.db2.gz WXRBTBYHEMLHAM-HXUWFJFHSA-N 1 0 362.420 2.749 20 10 FFCDRO Cc1cc(CN2CCN(S(C)(=O)=O)c3ccccc3C2)ccc1N(C)C ZINC000815078054 1006509617 /nfs/dbraw/zinc/50/96/17/1006509617.db2.gz MIRSASYAQAZWIH-UHFFFAOYSA-N 1 0 373.522 2.843 20 10 FFCDRO CCN(C)c1ccc(CN2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000815113476 1006512316 /nfs/dbraw/zinc/51/23/16/1006512316.db2.gz CLTDUZFHUHLSNP-UHFFFAOYSA-N 1 0 373.522 2.609 20 10 FFCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000815117612 1006514297 /nfs/dbraw/zinc/51/42/97/1006514297.db2.gz RUEZIXIDTPDJHR-MRXNPFEDSA-N 1 0 371.456 2.826 20 10 FFCDRO C[NH+](C)CCn1c(=O)oc2ccc(NCc3cc(F)cc(F)c3O)cc21 ZINC000883059154 1006623578 /nfs/dbraw/zinc/62/35/78/1006623578.db2.gz NJKACNXQJVOZFV-UHFFFAOYSA-N 1 0 363.364 2.752 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000131373381 1006725311 /nfs/dbraw/zinc/72/53/11/1006725311.db2.gz FVEXOKMXCDDNLH-UHFFFAOYSA-N 1 0 356.470 2.910 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc4c(c3)CCN4)cc2)CC1 ZINC000883570226 1006876531 /nfs/dbraw/zinc/87/65/31/1006876531.db2.gz XGNHSZUCWQVPRB-UHFFFAOYSA-N 1 0 365.481 2.728 20 10 FFCDRO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775257351 1007124415 /nfs/dbraw/zinc/12/44/15/1007124415.db2.gz HYVFOIXFYCTGAV-GOSISDBHSA-N 1 0 367.493 2.799 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000133644541 1007221388 /nfs/dbraw/zinc/22/13/88/1007221388.db2.gz OZYJFMCEDYQXFO-OAQYLSRUSA-N 1 0 365.477 2.761 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)CCCOc2ccccc2)c1 ZINC000775368553 1007515501 /nfs/dbraw/zinc/51/55/01/1007515501.db2.gz AQTOSCLOLAQKQI-INIZCTEOSA-N 1 0 372.465 2.979 20 10 FFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000113601934 1007534050 /nfs/dbraw/zinc/53/40/50/1007534050.db2.gz JANMGSFDAFFPSQ-LJQANCHMSA-N 1 0 374.529 2.587 20 10 FFCDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775370567 1007545673 /nfs/dbraw/zinc/54/56/73/1007545673.db2.gz WEIVWARSYODZOH-ZDUSSCGKSA-N 1 0 372.421 2.501 20 10 FFCDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895337 1007801514 /nfs/dbraw/zinc/80/15/14/1007801514.db2.gz SZYOHPSGCZFUMB-IERDGZPVSA-N 1 0 371.500 2.835 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000817938466 1007818528 /nfs/dbraw/zinc/81/85/28/1007818528.db2.gz LBQMHNTZPVBKGH-IFXJQAMLSA-N 1 0 352.482 2.988 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000818222634 1007887699 /nfs/dbraw/zinc/88/76/99/1007887699.db2.gz ZGJNCWSLQJMAII-KRWDZBQOSA-N 1 0 367.497 2.702 20 10 FFCDRO COCCCn1nccc1C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818221936 1007888377 /nfs/dbraw/zinc/88/83/77/1007888377.db2.gz PHERYWSMDFLMKJ-KRWDZBQOSA-N 1 0 358.486 2.544 20 10 FFCDRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953142 1007992418 /nfs/dbraw/zinc/99/24/18/1007992418.db2.gz CZWFYCYATYOPLM-GOSISDBHSA-N 1 0 363.502 2.652 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)ccc21 ZINC000818985651 1008000105 /nfs/dbraw/zinc/00/01/05/1008000105.db2.gz XRKKUOOJSOKKAV-SFHVURJKSA-N 1 0 371.437 2.507 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCCC(C)(C)C)CC2)cc1 ZINC000819093054 1008031794 /nfs/dbraw/zinc/03/17/94/1008031794.db2.gz JMGGRLNPPHIRGE-IBGZPJMESA-N 1 0 363.546 2.594 20 10 FFCDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094430 1008032450 /nfs/dbraw/zinc/03/24/50/1008032450.db2.gz GQFPSRSUXXVJLW-IBGZPJMESA-N 1 0 369.421 2.501 20 10 FFCDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000819078158 1008039058 /nfs/dbraw/zinc/03/90/58/1008039058.db2.gz SHUMMTXJKAPHDG-FQEVSTJZSA-N 1 0 356.466 2.793 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120975 1008048119 /nfs/dbraw/zinc/04/81/19/1008048119.db2.gz RYZPUIKFHGROLZ-DOTOQJQBSA-N 1 0 372.456 2.880 20 10 FFCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000858012773 1008277409 /nfs/dbraw/zinc/27/74/09/1008277409.db2.gz LQVRKFGBMQNYHD-CQSZACIVSA-N 1 0 359.382 2.666 20 10 FFCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000858249079 1008333369 /nfs/dbraw/zinc/33/33/69/1008333369.db2.gz NDYYFMUDKAHIJX-UHFFFAOYSA-N 1 0 353.466 2.796 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000858348737 1008348949 /nfs/dbraw/zinc/34/89/49/1008348949.db2.gz RSRDCCYBKIWIFJ-RXVVDRJESA-N 1 0 361.530 2.755 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000858607744 1008390085 /nfs/dbraw/zinc/39/00/85/1008390085.db2.gz IPSALMIPDFCDCE-UHFFFAOYSA-N 1 0 368.481 2.807 20 10 FFCDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324986 1008637578 /nfs/dbraw/zinc/63/75/78/1008637578.db2.gz PCDJAWULCHQMPA-UHFFFAOYSA-N 1 0 369.513 2.531 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)cc1Cn1cccn1 ZINC000886329082 1008639891 /nfs/dbraw/zinc/63/98/91/1008639891.db2.gz YAKPGFOSYRQHCG-PBEJRMEISA-N 1 0 371.481 2.756 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000822582300 1008666186 /nfs/dbraw/zinc/66/61/86/1008666186.db2.gz BBYAZSNTGBECCG-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177830540 1008761474 /nfs/dbraw/zinc/76/14/74/1008761474.db2.gz XRKVVYBIATXJCB-DYESRHJHSA-N 1 0 371.500 2.832 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000823121059 1008926745 /nfs/dbraw/zinc/92/67/45/1008926745.db2.gz SDEYUWWZLQMXCX-FQEVSTJZSA-N 1 0 374.529 2.537 20 10 FFCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC000860534460 1009050856 /nfs/dbraw/zinc/05/08/56/1009050856.db2.gz CWWBNSFWULMZKO-NRFANRHFSA-N 1 0 373.541 2.896 20 10 FFCDRO CCO/C=C\[C@@](O)(C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC001179637413 1009397288 /nfs/dbraw/zinc/39/72/88/1009397288.db2.gz YMZRXLOKOWVPLF-IYKSTZQJSA-N 1 0 368.346 2.964 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NOC1CC[NH+](C)CC1 ZINC000861550374 1009459467 /nfs/dbraw/zinc/45/94/67/1009459467.db2.gz HTHQUODZFBXNEU-UHFFFAOYSA-N 1 0 355.438 2.662 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000862141188 1009716769 /nfs/dbraw/zinc/71/67/69/1009716769.db2.gz IHIQWEIAYCOXBR-MAEOIBBWSA-N 1 0 353.466 2.977 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1F ZINC000862252566 1009765684 /nfs/dbraw/zinc/76/56/84/1009765684.db2.gz FDZWUFWDZMSCOY-ACJLOTCBSA-N 1 0 364.440 2.710 20 10 FFCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862467274 1009851917 /nfs/dbraw/zinc/85/19/17/1009851917.db2.gz RLCDSYGEVYNHMQ-UHFFFAOYSA-N 1 0 369.418 2.656 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000862757152 1009959911 /nfs/dbraw/zinc/95/99/11/1009959911.db2.gz JHDBNHICIOCWOW-XFFZJAGNSA-N 1 0 354.450 2.971 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000889660839 1010044598 /nfs/dbraw/zinc/04/45/98/1010044598.db2.gz JKJFHEHOFVHDMX-MOPGFXCFSA-N 1 0 374.554 2.618 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000794707642 1010552721 /nfs/dbraw/zinc/55/27/21/1010552721.db2.gz VYIMUHJTNACLGC-SPLOXXLWSA-N 1 0 371.433 2.712 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3oncc3C)C[C@H]2C)cc1C ZINC001094145313 1010890652 /nfs/dbraw/zinc/89/06/52/1010890652.db2.gz CRINXEKEGDVFLK-NVXWUHKLSA-N 1 0 357.454 2.798 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCF)CC3)cc1 ZINC001094587844 1011299936 /nfs/dbraw/zinc/29/99/36/1011299936.db2.gz UOHZNTNPMLTSMM-CRAIPNDOSA-N 1 0 361.421 2.793 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868710891 1011435889 /nfs/dbraw/zinc/43/58/89/1011435889.db2.gz NRKBBYXNQMRXII-HQRMLTQVSA-N 1 0 358.530 2.728 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001275067060 1011874875 /nfs/dbraw/zinc/87/48/75/1011874875.db2.gz NDGYUFWQCJXWFC-NRFANRHFSA-N 1 0 357.498 2.750 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275239333 1012131150 /nfs/dbraw/zinc/13/11/50/1012131150.db2.gz WYYUUDOIUINXEP-IIBYNOLFSA-N 1 0 358.482 2.883 20 10 FFCDRO CCOc1cccc(CN2CCC[C@]23CCN(CC(F)(F)F)C3=O)c1O ZINC001275244325 1012134227 /nfs/dbraw/zinc/13/42/27/1012134227.db2.gz FZAQRKOTQGVAOR-QGZVFWFLSA-N 1 0 372.387 2.920 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1 ZINC001275254495 1012146745 /nfs/dbraw/zinc/14/67/45/1012146745.db2.gz QSYQRZCRHNUSCZ-HUUCEWRRSA-N 1 0 372.387 2.919 20 10 FFCDRO CC(C)=CCN1C[C@@]2(F)CN(Cc3ccc(C)cc3O)C[C@@]2(F)C1=O ZINC001275386315 1012405592 /nfs/dbraw/zinc/40/55/92/1012405592.db2.gz UEEXYPNTPMTWTF-RBUKOAKNSA-N 1 0 350.409 2.741 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cnoc2)C3)c(O)c1 ZINC001275388932 1012405930 /nfs/dbraw/zinc/40/59/30/1012405930.db2.gz ZCZRFSCUERWPJY-HXUWFJFHSA-N 1 0 355.438 2.846 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC4CCOCC4)C3=O)C2)c(O)c1 ZINC001275388699 1012410884 /nfs/dbraw/zinc/41/08/84/1012410884.db2.gz UUBRAASQCVXXFD-OAQYLSRUSA-N 1 0 358.482 2.552 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(C)C)c(OC)c1 ZINC001275449243 1012478162 /nfs/dbraw/zinc/47/81/62/1012478162.db2.gz WQBUKYKUAZUUJY-IAGOWNOFSA-N 1 0 362.470 2.631 20 10 FFCDRO CC[N@@H+]1CC[C@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001173369519 1012510832 /nfs/dbraw/zinc/51/08/32/1012510832.db2.gz UTXFOZARNWZMCW-NRFANRHFSA-N 1 0 366.509 2.877 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(N)=O)cc3)c2)CC1 ZINC000123247497 1012520821 /nfs/dbraw/zinc/52/08/21/1012520821.db2.gz ONQWHDLKRXQRTN-UHFFFAOYSA-N 1 0 366.465 2.568 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cc2)C1 ZINC000924727296 1017452041 /nfs/dbraw/zinc/45/20/41/1017452041.db2.gz DVBCBFTYPDNNHC-DYXWJJEUSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCCCCC[NH3+])cc2F)C[C@H](C)O1 ZINC000827363957 1017774122 /nfs/dbraw/zinc/77/41/22/1017774122.db2.gz AYWSCCNLLRIIRP-IYBDPMFKSA-N 1 0 365.493 2.965 20 10 FFCDRO CC1(C)[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689929 1017818989 /nfs/dbraw/zinc/81/89/89/1017818989.db2.gz DQSQNFDOMDVQJG-MDASCCDHSA-N 1 0 365.468 2.668 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCOc4ccc(O)cc4C3)cc2)CC1 ZINC000827657913 1018598966 /nfs/dbraw/zinc/59/89/66/1018598966.db2.gz RWAIPFLCTDKPKT-UHFFFAOYSA-N 1 0 353.466 2.539 20 10 FFCDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2(C)C)cn1 ZINC000930587673 1020091935 /nfs/dbraw/zinc/09/19/35/1020091935.db2.gz KIGZAUUPQQNUMB-FQEVSTJZSA-N 1 0 354.498 2.882 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCC(C)CC1 ZINC000726246125 1020443408 /nfs/dbraw/zinc/44/34/08/1020443408.db2.gz BTJBFGFXBIJAND-QGZVFWFLSA-N 1 0 358.530 2.989 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000035979470 1020448620 /nfs/dbraw/zinc/44/86/20/1020448620.db2.gz VVWLQROMMVETNY-UHFFFAOYSA-N 1 0 351.450 2.919 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cc3n(n2)CCCC3)[NH+](C)C)cc1 ZINC000931399544 1020452806 /nfs/dbraw/zinc/45/28/06/1020452806.db2.gz FFYRSAGKJLYSMB-GOSISDBHSA-N 1 0 370.501 2.710 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C)cc1C ZINC001074755405 1020679044 /nfs/dbraw/zinc/67/90/44/1020679044.db2.gz BIIMQWOZUMREEQ-YQIOIFJUSA-N 1 0 370.493 2.506 20 10 FFCDRO O=C1c2cccc(O[C@@H]3C[NH2+]CCC[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217978413 1032930049 /nfs/dbraw/zinc/93/00/49/1032930049.db2.gz AZHYJRWVOFNXRT-CZUORRHYSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[NH2+]CCC[C@H]3F)cccc21 ZINC001217980540 1032931627 /nfs/dbraw/zinc/93/16/27/1032931627.db2.gz ZIABVUARPNDKEN-CZUORRHYSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000903390314 1020819013 /nfs/dbraw/zinc/81/90/13/1020819013.db2.gz UQAUNPHDMZMEAE-HNAYVOBHSA-N 1 0 364.461 2.651 20 10 FFCDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749412856 1020975538 /nfs/dbraw/zinc/97/55/38/1020975538.db2.gz HUZGPTAXBCLMAB-UHFFFAOYSA-N 1 0 369.509 2.897 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000778171911 1021009613 /nfs/dbraw/zinc/00/96/13/1021009613.db2.gz CHRZKUMIPULKPZ-HXUWFJFHSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1N1CC[NH+](C)CC1 ZINC001116510612 1021254150 /nfs/dbraw/zinc/25/41/50/1021254150.db2.gz VGWZTTSLOFUFAG-YWEYNIOJSA-N 1 0 367.449 2.810 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC001116565354 1021288320 /nfs/dbraw/zinc/28/83/20/1021288320.db2.gz PWPHRPWJULUIRW-NVXWUHKLSA-N 1 0 359.514 2.781 20 10 FFCDRO Cn1cnc(/C=C\C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000934940137 1021477283 /nfs/dbraw/zinc/47/72/83/1021477283.db2.gz IVDJJJCQXNKOEX-WVRJYTFGSA-N 1 0 374.872 2.573 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCF)C3)cc1 ZINC001099178567 1022005793 /nfs/dbraw/zinc/00/57/93/1022005793.db2.gz IBKZJXCPSSLANF-KSSFIOAISA-N 1 0 361.421 2.793 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNc3nc(N)[nH+]c4c3CCCC4)C2)cc1 ZINC001118123962 1022076075 /nfs/dbraw/zinc/07/60/75/1022076075.db2.gz RIJXGCGNIDHKAB-AWEZNQCLSA-N 1 0 353.470 2.885 20 10 FFCDRO O=c1cc(-c2ccc(F)cc2)c2ccc(OC[C@H]3C[NH2+]CCO3)cc2o1 ZINC001218179494 1033037017 /nfs/dbraw/zinc/03/70/17/1033037017.db2.gz TXWYJXWIQLWKEN-MRXNPFEDSA-N 1 0 355.365 2.966 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1C ZINC001018868679 1022359380 /nfs/dbraw/zinc/35/93/80/1022359380.db2.gz MWQIMJNNWGBXSW-SLFFLAALSA-N 1 0 365.477 2.893 20 10 FFCDRO C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2c(O)cccc2Br)C1 ZINC001118855326 1022442825 /nfs/dbraw/zinc/44/28/25/1022442825.db2.gz FKHDFSHNEOOVHD-GFCCVEGCSA-N 1 0 355.276 2.893 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609293 1033071826 /nfs/dbraw/zinc/07/18/26/1033071826.db2.gz MPZMLUAWJBJNKD-FQEVSTJZSA-N 1 0 351.494 2.950 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001218311418 1033098392 /nfs/dbraw/zinc/09/83/92/1033098392.db2.gz KMIAFSIYHOPTLS-INIZCTEOSA-N 1 0 351.402 2.935 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218314212 1033100888 /nfs/dbraw/zinc/10/08/88/1033100888.db2.gz GQDUBLXHXONSHN-HNNXBMFYSA-N 1 0 367.401 2.640 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)[C@@H]3CC[NH3+])CC2)cc1 ZINC001120589526 1023373909 /nfs/dbraw/zinc/37/39/09/1023373909.db2.gz PBCBOEIFFPVONQ-JXFKEZNVSA-N 1 0 374.529 2.823 20 10 FFCDRO CN(C)c1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000779224639 1023385770 /nfs/dbraw/zinc/38/57/70/1023385770.db2.gz GZHHJYOXDQKZFW-QFIPXVFZSA-N 1 0 371.500 2.961 20 10 FFCDRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1c(O)ccc2ccncc21 ZINC000753980933 1023408163 /nfs/dbraw/zinc/40/81/63/1023408163.db2.gz PJQMSONEVBFAAR-UHFFFAOYSA-N 1 0 361.401 2.668 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000754723377 1023507834 /nfs/dbraw/zinc/50/78/34/1023507834.db2.gz RFNTYRYMFLHDTP-UHFFFAOYSA-N 1 0 372.440 2.871 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+]C[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218417782 1033146444 /nfs/dbraw/zinc/14/64/44/1033146444.db2.gz XMOKPJKKOOIVLQ-PIGZYNQJSA-N 1 0 351.402 2.853 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218416922 1033146750 /nfs/dbraw/zinc/14/67/50/1033146750.db2.gz UUAUNKFTHWFWRL-MLGOLLRUSA-N 1 0 351.402 2.853 20 10 FFCDRO COc1ccc(N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)cc1F ZINC000190273068 1023605977 /nfs/dbraw/zinc/60/59/77/1023605977.db2.gz CMJLWNVSUJRWQA-UHFFFAOYSA-N 1 0 364.461 2.890 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756400065 1023704727 /nfs/dbraw/zinc/70/47/27/1023704727.db2.gz APISBRRWEFZPEL-CZUORRHYSA-N 1 0 363.477 2.660 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c1C ZINC000756527501 1023723893 /nfs/dbraw/zinc/72/38/93/1023723893.db2.gz YZPTWKFYXCUZMT-SPLOXXLWSA-N 1 0 367.449 2.914 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3C[C@@H](C)c4c3c(O)ccc4F)C2=O)n(C)n1 ZINC000756731593 1023751070 /nfs/dbraw/zinc/75/10/70/1023751070.db2.gz HEWQSJHXAFAYCP-SWHYSGLUSA-N 1 0 358.417 2.517 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c2c1c(F)ccc2O ZINC000756837912 1023757589 /nfs/dbraw/zinc/75/75/89/1023757589.db2.gz JBRRMVLJESQKJV-PKIAMQTDSA-N 1 0 358.417 2.597 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137835906 1033174151 /nfs/dbraw/zinc/17/41/51/1033174151.db2.gz QVCUGNKKSRWTMV-OAQYLSRUSA-N 1 0 369.440 2.941 20 10 FFCDRO CN1CCOc2cc(C[N@H+]3C[C@@H]4[C@@H](CNC(=O)OC(C)(C)C)[C@@H]4C3)ccc21 ZINC001141140869 1025507323 /nfs/dbraw/zinc/50/73/23/1025507323.db2.gz PZXLRSIEDOCEKV-OSYLJGHBSA-N 1 0 373.497 2.718 20 10 FFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141145362 1025521970 /nfs/dbraw/zinc/52/19/70/1025521970.db2.gz AKYNGGBPMDKNEM-UHFFFAOYSA-N 1 0 360.502 2.531 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC001141159064 1025540389 /nfs/dbraw/zinc/54/03/89/1025540389.db2.gz XNEZRVXVTKNRSI-NBHGPNQESA-N 1 0 370.449 2.689 20 10 FFCDRO Oc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001141160109 1025541940 /nfs/dbraw/zinc/54/19/40/1025541940.db2.gz QDDBENDSVYHZNU-APWZRJJASA-N 1 0 358.413 2.574 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(O)c1OC ZINC001141172527 1025560243 /nfs/dbraw/zinc/56/02/43/1025560243.db2.gz WELKMOQYGKZVMM-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)C3CCC3)CC2)cc1 ZINC000837318761 1025721187 /nfs/dbraw/zinc/72/11/87/1025721187.db2.gz YBJQJKQIRKJDIV-KRWDZBQOSA-N 1 0 359.514 2.760 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840147062 1026983134 /nfs/dbraw/zinc/98/31/34/1026983134.db2.gz OXLUQJLWIFNSIX-HNNXBMFYSA-N 1 0 363.502 2.934 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](NC(=O)N(C)C)C3)c2c1 ZINC000840147534 1026985129 /nfs/dbraw/zinc/98/51/29/1026985129.db2.gz SXFYGWRYCXHSQU-HNNXBMFYSA-N 1 0 357.454 2.790 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000840257082 1027022685 /nfs/dbraw/zinc/02/26/85/1027022685.db2.gz XLXJVCGGRPJXMY-HQRMLTQVSA-N 1 0 358.530 2.918 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000840479243 1027088256 /nfs/dbraw/zinc/08/82/56/1027088256.db2.gz MTHHCBCELMIVFY-XLIONFOSSA-N 1 0 356.514 2.648 20 10 FFCDRO CC1(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000092437394 1027324146 /nfs/dbraw/zinc/32/41/46/1027324146.db2.gz XYZQJDJIWQJBGP-UHFFFAOYSA-N 1 0 356.514 2.960 20 10 FFCDRO Cc1cccc(N(C(=O)Cc2ccc(N)cc2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001159350742 1027363616 /nfs/dbraw/zinc/36/36/16/1027363616.db2.gz IUMLPGHMOXHMHK-IRLDBZIGSA-N 1 0 365.477 2.674 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001160780378 1027876319 /nfs/dbraw/zinc/87/63/19/1027876319.db2.gz PFDCTRDUIHIAPR-AVMQAWKJSA-N 1 0 361.489 2.765 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000795900198 1028241112 /nfs/dbraw/zinc/24/11/12/1028241112.db2.gz DWWHLUKZPNQBKY-UHFFFAOYSA-N 1 0 374.525 2.918 20 10 FFCDRO COC(=O)c1nccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630186 1028825033 /nfs/dbraw/zinc/82/50/33/1028825033.db2.gz SNSLLAROWSSWFR-DODZYUBVSA-N 1 0 368.481 2.663 20 10 FFCDRO Cc1[nH]c2ncnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2c1C ZINC001156657244 1029291340 /nfs/dbraw/zinc/29/13/40/1029291340.db2.gz JGDSNNSHULOIEZ-UHFFFAOYSA-N 1 0 350.470 2.939 20 10 FFCDRO COC(=O)c1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001156655769 1029291525 /nfs/dbraw/zinc/29/15/25/1029291525.db2.gz JLZPKZNQHXJHNB-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO CN1CCc2nc(Cl)nc(N3CC4(CC[NH2+]CC4)c4ccccc43)c2C1 ZINC001165145627 1029419547 /nfs/dbraw/zinc/41/95/47/1029419547.db2.gz SUOZDVHKRDPLET-UHFFFAOYSA-N 1 0 369.900 2.891 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001157431927 1029584717 /nfs/dbraw/zinc/58/47/17/1029584717.db2.gz BITOIPRRUGUHAY-CJNGLKHVSA-N 1 0 352.425 2.993 20 10 FFCDRO COCC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)[C@H]1CCOC1 ZINC000782976888 1029870793 /nfs/dbraw/zinc/87/07/93/1029870793.db2.gz QZQHQUMMQITZKV-HNNXBMFYSA-N 1 0 359.422 2.569 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000840952486 1029941062 /nfs/dbraw/zinc/94/10/62/1029941062.db2.gz BDOQQASYGXQMEZ-SFHVURJKSA-N 1 0 363.502 2.787 20 10 FFCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000840957884 1029943356 /nfs/dbraw/zinc/94/33/56/1029943356.db2.gz LTVKOTAKVRXOFV-GOSISDBHSA-N 1 0 354.450 2.881 20 10 FFCDRO Fc1cc(C[NH2+]C[C@@H]2NCCc3ccccc32)ccc1N1CCOCC1 ZINC000841067357 1030014766 /nfs/dbraw/zinc/01/47/66/1030014766.db2.gz BIPPEQOZVTZSBV-FQEVSTJZSA-N 1 0 355.457 2.639 20 10 FFCDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]1 ZINC000841174121 1030092056 /nfs/dbraw/zinc/09/20/56/1030092056.db2.gz UKXKGUQWURHWFZ-CQSZACIVSA-N 1 0 351.410 2.861 20 10 FFCDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000841302226 1030172345 /nfs/dbraw/zinc/17/23/45/1030172345.db2.gz PWTCTOJPBOOJFQ-HXUWFJFHSA-N 1 0 367.497 2.769 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000841312981 1030185345 /nfs/dbraw/zinc/18/53/45/1030185345.db2.gz LJRXJRWCQHRQLJ-UHFFFAOYSA-N 1 0 372.444 2.703 20 10 FFCDRO CC[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841692476 1030408328 /nfs/dbraw/zinc/40/83/28/1030408328.db2.gz HDZWSTVXHIVUQF-OAQYLSRUSA-N 1 0 366.509 2.947 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000841793555 1030470108 /nfs/dbraw/zinc/47/01/08/1030470108.db2.gz NBJYSCPKABSUON-QUCCMNQESA-N 1 0 356.514 2.816 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000841797915 1030472986 /nfs/dbraw/zinc/47/29/86/1030472986.db2.gz CJYDWPLHBGZUJG-CALCHBBNSA-N 1 0 362.493 2.813 20 10 FFCDRO [NH3+]C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCCCC1 ZINC000841923977 1030544399 /nfs/dbraw/zinc/54/43/99/1030544399.db2.gz JYNRFYDUXVEUKM-QGZVFWFLSA-N 1 0 361.486 2.744 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000841936057 1030554462 /nfs/dbraw/zinc/55/44/62/1030554462.db2.gz DTCPYLFCGAOIQA-KRWDZBQOSA-N 1 0 356.470 2.809 20 10 FFCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841948811 1030556477 /nfs/dbraw/zinc/55/64/77/1030556477.db2.gz LUHVBWVIADGNPV-RYQLBKOJSA-N 1 0 361.486 2.600 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000841995904 1030573129 /nfs/dbraw/zinc/57/31/29/1030573129.db2.gz PFBFQFCYKLCYSX-IYARVYRRSA-N 1 0 374.529 2.682 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@H]3CC=CCC3)CC2)cc1 ZINC000784385099 1030596536 /nfs/dbraw/zinc/59/65/36/1030596536.db2.gz JAORSKQWGRRZKD-SFHVURJKSA-N 1 0 357.498 2.632 20 10 FFCDRO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@H]2O1 ZINC001203551503 1030759108 /nfs/dbraw/zinc/75/91/08/1030759108.db2.gz GGMHKFVAEQHIPY-ZOCIIQOWSA-N 1 0 372.490 2.750 20 10 FFCDRO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccccc3O)[C@H](C)C2)cc1 ZINC001203555731 1030764870 /nfs/dbraw/zinc/76/48/70/1030764870.db2.gz FWIKIYYACHLBRG-MRXNPFEDSA-N 1 0 354.450 2.885 20 10 FFCDRO COc1cccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1O ZINC001203590024 1030771816 /nfs/dbraw/zinc/77/18/16/1030771816.db2.gz RATRHLUTORDDRA-CQSZACIVSA-N 1 0 354.422 2.792 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1O ZINC001203591543 1030776297 /nfs/dbraw/zinc/77/62/97/1030776297.db2.gz IKWMNCJTYMBPDA-FBBABVLZSA-N 1 0 370.449 2.744 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203595470 1030777298 /nfs/dbraw/zinc/77/72/98/1030777298.db2.gz CHAOVSFTUFLLRB-UHFFFAOYSA-N 1 0 370.449 2.505 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c1O ZINC001203602057 1030781755 /nfs/dbraw/zinc/78/17/55/1030781755.db2.gz YRRPUTLTXDMYAR-CYBMUJFWSA-N 1 0 352.232 2.807 20 10 FFCDRO COc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c(O)c1 ZINC001203621733 1030790008 /nfs/dbraw/zinc/79/00/08/1030790008.db2.gz HXFLNVXNLGJPFU-ILZDJORESA-N 1 0 356.422 2.607 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(O)c1 ZINC001203623661 1030791026 /nfs/dbraw/zinc/79/10/26/1030791026.db2.gz VYNXTTYPLGNPDA-ICSRJNTNSA-N 1 0 356.422 2.608 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c(O)c1 ZINC001203623169 1030792184 /nfs/dbraw/zinc/79/21/84/1030792184.db2.gz LIILHWZVXPYGNT-KNQAVFIVSA-N 1 0 366.461 2.849 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c(O)c1 ZINC001203622252 1030793075 /nfs/dbraw/zinc/79/30/75/1030793075.db2.gz VOARJLMZZDZIJX-VQIMIIECSA-N 1 0 370.424 2.630 20 10 FFCDRO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648776 1030805975 /nfs/dbraw/zinc/80/59/75/1030805975.db2.gz UFOCGCNSFMAHBW-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2O)O1)N1CCCC1 ZINC001203657281 1030809836 /nfs/dbraw/zinc/80/98/36/1030809836.db2.gz BZURLHHRMHBNFN-NXHRZFHOSA-N 1 0 364.873 2.790 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001203672765 1030818568 /nfs/dbraw/zinc/81/85/68/1030818568.db2.gz DLGRVUKHAMLDRI-PXNSSMCTSA-N 1 0 356.422 2.608 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001203680073 1030823596 /nfs/dbraw/zinc/82/35/96/1030823596.db2.gz CCXMJSAKTUBHTP-UHFFFAOYSA-N 1 0 354.450 2.678 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(F)c1 ZINC000842718626 1030919287 /nfs/dbraw/zinc/91/92/87/1030919287.db2.gz QRJZLEMDNKHSIY-KRWDZBQOSA-N 1 0 373.472 2.595 20 10 FFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(N2CCNC2=O)cc1 ZINC000842743037 1030936083 /nfs/dbraw/zinc/93/60/83/1030936083.db2.gz APUGAEFFIYWGDD-LBPRGKRZSA-N 1 0 355.394 2.501 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccs1 ZINC000842750162 1030939737 /nfs/dbraw/zinc/93/97/37/1030939737.db2.gz OAOLHUKVUWYFED-LJQANCHMSA-N 1 0 373.522 2.769 20 10 FFCDRO 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COc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1O ZINC001204335975 1031235276 /nfs/dbraw/zinc/23/52/76/1031235276.db2.gz DWLJBUKIIVRTLB-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204341614 1031238480 /nfs/dbraw/zinc/23/84/80/1031238480.db2.gz IAQPWCYZODCAKA-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc(O)c1O ZINC001204350063 1031246234 /nfs/dbraw/zinc/24/62/34/1031246234.db2.gz WOUXJOMPKGKIAW-IAGOWNOFSA-N 1 0 368.433 2.876 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000843506740 1031434353 /nfs/dbraw/zinc/43/43/53/1031434353.db2.gz NEGZYFNSWXVVJT-OXJNMPFZSA-N 1 0 353.466 2.646 20 10 FFCDRO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@H]1CNCCO1 ZINC001205376958 1031695627 /nfs/dbraw/zinc/69/56/27/1031695627.db2.gz PNCASBWHAPRGOU-CQSZACIVSA-N 1 0 365.271 2.728 20 10 FFCDRO CNc1ncccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150355602 1031702953 /nfs/dbraw/zinc/70/29/53/1031702953.db2.gz YXBMYEOOHKIAML-OAHLLOKOSA-N 1 0 374.872 2.877 20 10 FFCDRO CCC(=O)C[NH+]1CCC2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001276873339 1033339015 /nfs/dbraw/zinc/33/90/15/1033339015.db2.gz JBYZBFAWHOKKTN-UHFFFAOYSA-N 1 0 357.498 2.546 20 10 FFCDRO COC1CC[NH+](CCNC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000829795582 1033341614 /nfs/dbraw/zinc/34/16/14/1033341614.db2.gz LKKQNJIHUUIFKC-UHFFFAOYSA-N 1 0 369.509 2.864 20 10 FFCDRO [NH3+][C@@H](CC1CCC1)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001218920668 1033409342 /nfs/dbraw/zinc/40/93/42/1033409342.db2.gz YXGZEFKYJYWYAU-INIZCTEOSA-N 1 0 364.401 2.624 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)cc2)CC1 ZINC000830051516 1033441289 /nfs/dbraw/zinc/44/12/89/1033441289.db2.gz AHGADJUGNMHTPW-FCHUYYIVSA-N 1 0 374.525 2.712 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CN4CCOC4=O)C3)cc2)CC1 ZINC000830130167 1033477926 /nfs/dbraw/zinc/47/79/26/1033477926.db2.gz GGTURLYXNRTIHL-SFHVURJKSA-N 1 0 373.497 2.576 20 10 FFCDRO COC[C@H]([NH3+])C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219474257 1033662758 /nfs/dbraw/zinc/66/27/58/1033662758.db2.gz RKIGARPQYLLHKY-KRWDZBQOSA-N 1 0 350.422 2.643 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3CC[NH2+]C[C@H]3F)cc2)cc1 ZINC001219492911 1033668172 /nfs/dbraw/zinc/66/81/72/1033668172.db2.gz GDJHXNJICOBAKO-DLBZAZTESA-N 1 0 371.416 2.799 20 10 FFCDRO CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC001138216777 1033968531 /nfs/dbraw/zinc/96/85/31/1033968531.db2.gz KQJQUOPHKKOPSK-UHFFFAOYSA-N 1 0 371.525 2.890 20 10 FFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277026162 1034173529 /nfs/dbraw/zinc/17/35/29/1034173529.db2.gz LQFBTUMHEOWGBU-IAGOWNOFSA-N 1 0 364.461 2.830 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN(CCC[NH+](C)C)CC2)c(OC)c1 ZINC001138388936 1034224964 /nfs/dbraw/zinc/22/49/64/1034224964.db2.gz BKWMUGNHLGHMES-UHFFFAOYSA-N 1 0 362.562 2.611 20 10 FFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC001138501263 1034343629 /nfs/dbraw/zinc/34/36/29/1034343629.db2.gz NFHZXUIKMHZZNH-IEBWSBKVSA-N 1 0 360.498 2.934 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3c([O-])ccc(F)c3F)C2)C1=O ZINC001277097715 1034516762 /nfs/dbraw/zinc/51/67/62/1034516762.db2.gz LGXKNXSZOGLYOU-IBGZPJMESA-N 1 0 368.424 2.520 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000832266440 1034688500 /nfs/dbraw/zinc/68/85/00/1034688500.db2.gz GAZZQCWCWQQCDG-QGZVFWFLSA-N 1 0 355.486 2.953 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000832272942 1034693925 /nfs/dbraw/zinc/69/39/25/1034693925.db2.gz KFUDFTKSBNHWTB-QFBILLFUSA-N 1 0 353.466 2.825 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000832272621 1034694613 /nfs/dbraw/zinc/69/46/13/1034694613.db2.gz HRKCHAMTCAJGCL-MRXNPFEDSA-N 1 0 370.478 2.828 20 10 FFCDRO COc1ccc(/C=C\C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832281649 1034699196 /nfs/dbraw/zinc/69/91/96/1034699196.db2.gz VHZDQEAXSOHJAJ-HCSGDKDASA-N 1 0 369.465 2.599 20 10 FFCDRO COc1cccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1OC ZINC000832292920 1034705902 /nfs/dbraw/zinc/70/59/02/1034705902.db2.gz NHKRWTYOSMOPSC-GOSISDBHSA-N 1 0 371.481 2.519 20 10 FFCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139127614 1034958675 /nfs/dbraw/zinc/95/86/75/1034958675.db2.gz ZCWRXIZBPZJXMH-UHFFFAOYSA-N 1 0 351.406 2.524 20 10 FFCDRO COc1cc2c(cc1OC)CN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C2 ZINC001139259945 1035032239 /nfs/dbraw/zinc/03/22/39/1035032239.db2.gz DRJOEESXLCUHEF-UHFFFAOYSA-N 1 0 372.465 2.995 20 10 FFCDRO Oc1ccc(F)cc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001140054266 1035324175 /nfs/dbraw/zinc/32/41/75/1035324175.db2.gz OFTBLMWMYXDZDS-LSBZLQRGSA-N 1 0 358.413 2.985 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c1O ZINC001140181380 1035370577 /nfs/dbraw/zinc/37/05/77/1035370577.db2.gz TYAPGPRNIDNUNR-HQRMLTQVSA-N 1 0 358.482 2.515 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c1O ZINC001140181924 1035370681 /nfs/dbraw/zinc/37/06/81/1035370681.db2.gz ZNOLDFIVTKERSA-UHFFFAOYSA-N 1 0 351.454 2.856 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c1O ZINC001140180825 1035370742 /nfs/dbraw/zinc/37/07/42/1035370742.db2.gz MMIJOGKSGGLBDJ-OAQYLSRUSA-N 1 0 368.481 2.528 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001140180606 1035370902 /nfs/dbraw/zinc/37/09/02/1035370902.db2.gz JLQTYCMCESNHGV-RTBURBONSA-N 1 0 354.498 2.696 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[N@H+](C)CCC ZINC000834513974 1035402501 /nfs/dbraw/zinc/40/25/01/1035402501.db2.gz FUXRUGKNDCPQNP-UHFFFAOYSA-N 1 0 363.502 2.717 20 10 FFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834598160 1035412473 /nfs/dbraw/zinc/41/24/73/1035412473.db2.gz NSORHQAXTCGNNX-UFYCRDLUSA-N 1 0 352.478 2.852 20 10 FFCDRO O=C([C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1)N1CCCC1 ZINC001140285944 1035419128 /nfs/dbraw/zinc/41/91/28/1035419128.db2.gz GCLASDVJQZHFJW-OAQYLSRUSA-N 1 0 371.525 2.625 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465725 1035485233 /nfs/dbraw/zinc/48/52/33/1035485233.db2.gz RZGNSJOILHECGV-QGZVFWFLSA-N 1 0 372.918 2.826 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2)N1CCOCC1 ZINC001140464838 1035485526 /nfs/dbraw/zinc/48/55/26/1035485526.db2.gz DCYPZFABCIUOIV-MRXNPFEDSA-N 1 0 364.873 2.507 20 10 FFCDRO COCCN1CCOC[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1 ZINC001140467629 1035486158 /nfs/dbraw/zinc/48/61/58/1035486158.db2.gz SUJQNWDPXPGVLE-IBGZPJMESA-N 1 0 368.905 2.606 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCNC(=O)Cc2cccc(F)c2)cc1 ZINC000835032886 1035490674 /nfs/dbraw/zinc/49/06/74/1035490674.db2.gz MVFFFAAIHUJAFV-GQCTYLIASA-N 1 0 355.457 2.853 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000835034775 1035490891 /nfs/dbraw/zinc/49/08/91/1035490891.db2.gz DWMPCKGQMOUTFU-SNAWJCMRSA-N 1 0 373.522 2.605 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000835041718 1035492211 /nfs/dbraw/zinc/49/22/11/1035492211.db2.gz ABPJWXUNYNJYNJ-BDUNBXCCSA-N 1 0 368.403 2.539 20 10 FFCDRO Clc1cc(C[NH+]2CCC(n3cnnc3)CC2)ccc1N1CCOCC1 ZINC001232199433 1035496169 /nfs/dbraw/zinc/49/61/69/1035496169.db2.gz HEQOZZLZDDDNRE-UHFFFAOYSA-N 1 0 361.877 2.605 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200377 1035496433 /nfs/dbraw/zinc/49/64/33/1035496433.db2.gz UYBSMEFIWHLBTO-HNNXBMFYSA-N 1 0 366.889 2.952 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3c(C)cc(C)cc3O)CC2)C1=O ZINC001277204104 1035522832 /nfs/dbraw/zinc/52/28/32/1035522832.db2.gz CRXMERFBIGYDJO-UHFFFAOYSA-N 1 0 360.498 2.860 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001277204733 1035528086 /nfs/dbraw/zinc/52/80/86/1035528086.db2.gz VMZKNORWQSOHDM-UTKZUKDTSA-N 1 0 360.498 2.858 20 10 FFCDRO Oc1cc(O)c(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc1Cl ZINC001232259444 1035530488 /nfs/dbraw/zinc/53/04/88/1035530488.db2.gz CRECKBCIDNHZDP-CHWSQXEVSA-N 1 0 365.886 2.772 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1Cl ZINC001232264245 1035536318 /nfs/dbraw/zinc/53/63/18/1035536318.db2.gz GLMXIYZZFNVYPH-UHFFFAOYSA-N 1 0 352.862 2.935 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC001232264570 1035536451 /nfs/dbraw/zinc/53/64/51/1035536451.db2.gz KPPABDCXOPJFHN-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232266280 1035537721 /nfs/dbraw/zinc/53/77/21/1035537721.db2.gz UBCCDSNOWDYJGW-GFCCVEGCSA-N 1 0 350.802 2.808 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(OC)cc3O)C2)n1 ZINC001232271381 1035541048 /nfs/dbraw/zinc/54/10/48/1035541048.db2.gz VBGIWRLSLRIGPS-LBPRGKRZSA-N 1 0 365.817 2.506 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232406941 1035656378 /nfs/dbraw/zinc/65/63/78/1035656378.db2.gz JENTUTYINBECBM-CQSZACIVSA-N 1 0 358.438 2.740 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OC)CCO1 ZINC001232410481 1035658288 /nfs/dbraw/zinc/65/82/88/1035658288.db2.gz NUQTVROBMAVSML-MRXNPFEDSA-N 1 0 373.497 2.508 20 10 FFCDRO O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277664479 1035683568 /nfs/dbraw/zinc/68/35/68/1035683568.db2.gz CCPUXSGIQOYKNB-KRWDZBQOSA-N 1 0 374.815 2.973 20 10 FFCDRO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277665242 1035692875 /nfs/dbraw/zinc/69/28/75/1035692875.db2.gz LTQXFRFSAXIQKY-HUUCEWRRSA-N 1 0 352.862 2.973 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cnc(C)[nH]4)C3)C2)cc1 ZINC001232460593 1035704269 /nfs/dbraw/zinc/70/42/69/1035704269.db2.gz WIVQEVXSBDZPHM-NRFANRHFSA-N 1 0 370.497 2.846 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)c1 ZINC001140619533 1035741809 /nfs/dbraw/zinc/74/18/09/1035741809.db2.gz GUFUKYNYTBJXIT-CDXJDZJCSA-N 1 0 358.482 2.596 20 10 FFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)n1 ZINC001140664835 1035820942 /nfs/dbraw/zinc/82/09/42/1035820942.db2.gz UJNQIHVKYFDYRA-UHFFFAOYSA-N 1 0 360.433 2.733 20 10 FFCDRO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140745375 1036041659 /nfs/dbraw/zinc/04/16/59/1036041659.db2.gz HPGPNGXBYJDPBW-UHFFFAOYSA-N 1 0 372.465 2.741 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001140749702 1036053527 /nfs/dbraw/zinc/05/35/27/1036053527.db2.gz JUEXIVUGKIGTHT-QGZVFWFLSA-N 1 0 356.422 2.549 20 10 FFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)n1 ZINC001140750096 1036054102 /nfs/dbraw/zinc/05/41/02/1036054102.db2.gz VFHVVSMLJPZBHN-UHFFFAOYSA-N 1 0 359.426 2.557 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c(O)c1 ZINC001232838550 1036095091 /nfs/dbraw/zinc/09/50/91/1036095091.db2.gz HCAYRTULDDRBDK-UHFFFAOYSA-N 1 0 355.482 2.655 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c(O)c1 ZINC001232838488 1036095993 /nfs/dbraw/zinc/09/59/93/1036095993.db2.gz KPVYZLNWQVVHKA-KNQAVFIVSA-N 1 0 365.477 2.564 20 10 FFCDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(I)cc1O ZINC001232974212 1036207881 /nfs/dbraw/zinc/20/78/81/1036207881.db2.gz IJUPUECRBFAFMS-CYBMUJFWSA-N 1 0 361.223 2.998 20 10 FFCDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(I)cc1O ZINC001232974214 1036208151 /nfs/dbraw/zinc/20/81/51/1036208151.db2.gz IJUPUECRBFAFMS-ZDUSSCGKSA-N 1 0 361.223 2.998 20 10 FFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(I)cc3O)[C@H]2C1 ZINC001232978233 1036210062 /nfs/dbraw/zinc/21/00/62/1036210062.db2.gz CUAYZPXEJBGJFS-RISCZKNCSA-N 1 0 372.250 2.523 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(CC(=O)C(C)(C)C)C2=O)C1 ZINC001277318010 1036225623 /nfs/dbraw/zinc/22/56/23/1036225623.db2.gz KRYMHQFFNLAJSE-OAQYLSRUSA-N 1 0 358.482 2.740 20 10 FFCDRO C[C@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1O ZINC001228718732 1036284294 /nfs/dbraw/zinc/28/42/94/1036284294.db2.gz IUZMQZOEQGYNNQ-HNNXBMFYSA-N 1 0 353.466 2.852 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001140856857 1036295313 /nfs/dbraw/zinc/29/53/13/1036295313.db2.gz OYWFHIGSKJZSDB-GOSISDBHSA-N 1 0 356.470 2.990 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)c(Cl)c1 ZINC001140926223 1036464439 /nfs/dbraw/zinc/46/44/39/1036464439.db2.gz ILYCTUOCZRULNS-OAHLLOKOSA-N 1 0 350.825 2.988 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC001233291005 1036495648 /nfs/dbraw/zinc/49/56/48/1036495648.db2.gz HCZUJDYKVHJDLR-ZDUSSCGKSA-N 1 0 365.817 2.506 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(O)ccc(F)c3F)CC2)C1 ZINC001233336350 1036543783 /nfs/dbraw/zinc/54/37/83/1036543783.db2.gz IYYPTGLZVITHHP-CYBMUJFWSA-N 1 0 368.424 2.520 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)c(O)c1 ZINC001140950114 1036545020 /nfs/dbraw/zinc/54/50/20/1036545020.db2.gz NSPOXCZZLITCJK-MISYRCLQSA-N 1 0 370.449 2.732 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198008 1036548291 /nfs/dbraw/zinc/54/82/91/1036548291.db2.gz SYXWXNJLNNHTKB-GFCCVEGCSA-N 1 0 369.417 2.982 20 10 FFCDRO Cc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001140950539 1036549320 /nfs/dbraw/zinc/54/93/20/1036549320.db2.gz XYDVRGXNEUIBBD-PMACEKPBSA-N 1 0 353.466 2.571 20 10 FFCDRO Oc1c(CN2CCN(CC[NH+]3CCCC3)CC2)cccc1C(F)(F)F ZINC001233419060 1036613880 /nfs/dbraw/zinc/61/38/80/1036613880.db2.gz IBCGPMVDZKAUJO-UHFFFAOYSA-N 1 0 357.420 2.624 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cc(O)c(O)cc4O)C[C@@H]3C2)cc1 ZINC001233484129 1036650730 /nfs/dbraw/zinc/65/07/30/1036650730.db2.gz ZBMPDMJWKQJCKO-ROUUACIJSA-N 1 0 354.450 2.676 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)[C@H]1c1ccccc1 ZINC001233484492 1036653976 /nfs/dbraw/zinc/65/39/76/1036653976.db2.gz MEKMDQOUJBAWPM-LJQANCHMSA-N 1 0 368.433 2.599 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cccc(Cl)n3)CC2)cc1O ZINC001233486644 1036654994 /nfs/dbraw/zinc/65/49/94/1036654994.db2.gz WIGKXHXBERXMQY-UHFFFAOYSA-N 1 0 350.802 2.895 20 10 FFCDRO CC[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000836589545 1036668443 /nfs/dbraw/zinc/66/84/43/1036668443.db2.gz COKJMOOERHHIHD-SJORKVTESA-N 1 0 362.493 2.813 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3C[C@H]3C3CC3)cc2F)CC1 ZINC000836662075 1036736365 /nfs/dbraw/zinc/73/63/65/1036736365.db2.gz QCRBCQSYCCSIRI-ROUUACIJSA-N 1 0 374.504 2.813 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141026317 1036756137 /nfs/dbraw/zinc/75/61/37/1036756137.db2.gz LLVUIIWOBVZMNQ-LBPRGKRZSA-N 1 0 352.431 2.508 20 10 FFCDRO Cc1cnc(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)nc1 ZINC001233776335 1036757868 /nfs/dbraw/zinc/75/78/68/1036757868.db2.gz PZVALTSKTLPOSW-UHFFFAOYSA-N 1 0 368.359 2.711 20 10 FFCDRO Oc1c(CN2CCO[C@H](C[NH+]3CCCC3)C2)cccc1OC(F)(F)F ZINC001233776829 1036759571 /nfs/dbraw/zinc/75/95/71/1036759571.db2.gz ZLZJRMXUYBQLAZ-CQSZACIVSA-N 1 0 360.376 2.587 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c(O)c1 ZINC001277833467 1036931757 /nfs/dbraw/zinc/93/17/57/1036931757.db2.gz JUGFVHBSOYTZLI-IBGZPJMESA-N 1 0 368.424 2.931 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCN3CC[NH2+]C[C@H]3C2)c(O)c1 ZINC001234980500 1037279390 /nfs/dbraw/zinc/27/93/90/1037279390.db2.gz SKIYIOUXLGTOHO-NRFANRHFSA-N 1 0 374.573 2.888 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001277943896 1037539189 /nfs/dbraw/zinc/53/91/89/1037539189.db2.gz VMYUBWIIFYBAID-QGZVFWFLSA-N 1 0 371.403 2.587 20 10 FFCDRO O=C([O-])c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001231452233 1037591891 /nfs/dbraw/zinc/59/18/91/1037591891.db2.gz IBOQFAIRABMHGH-KDURUIRLSA-N 1 0 352.434 2.654 20 10 FFCDRO C[C@@]1(CO)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1O ZINC001231467918 1037613796 /nfs/dbraw/zinc/61/37/96/1037613796.db2.gz ODWXRDUVXUGXAB-RTWAWAEBSA-N 1 0 357.450 2.536 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231554035 1037677209 /nfs/dbraw/zinc/67/72/09/1037677209.db2.gz FMTDBTRGCQLYMF-MNOVXSKESA-N 1 0 372.259 2.794 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2c(Br)ccc(OC)c2O)CC1 ZINC001231554126 1037677364 /nfs/dbraw/zinc/67/73/64/1037677364.db2.gz JJOAQBYEHQZCBN-UHFFFAOYSA-N 1 0 372.259 2.938 20 10 FFCDRO CN1CCN(C(=O)C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)CC1 ZINC001235683486 1037679685 /nfs/dbraw/zinc/67/96/85/1037679685.db2.gz GMDMVLUCUVEUOM-UHFFFAOYSA-N 1 0 373.541 2.676 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001231591178 1037707504 /nfs/dbraw/zinc/70/75/04/1037707504.db2.gz XCCHXKXUMYWSGW-FUHWJXTLSA-N 1 0 358.438 2.615 20 10 FFCDRO CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231594100 1037714895 /nfs/dbraw/zinc/71/48/95/1037714895.db2.gz YWDZZRYTAYCWDD-GOSISDBHSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)c1O ZINC001231594155 1037715655 /nfs/dbraw/zinc/71/56/55/1037715655.db2.gz ZTWCRIHEGCUNSH-OAQYLSRUSA-N 1 0 370.449 2.801 20 10 FFCDRO Cc1cccc(COCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001536933024 1070087447 /nfs/dbraw/zinc/08/74/47/1070087447.db2.gz DZPWLXAPUYEKBP-UHFFFAOYSA-N 1 0 367.493 2.580 20 10 FFCDRO COc1ccc(Br)c(CN2CC[NH2+][C@@H](CC(C)C)C2)c1O ZINC001235882528 1037815213 /nfs/dbraw/zinc/81/52/13/1037815213.db2.gz UOWRPAKJIGEUMG-LBPRGKRZSA-N 1 0 357.292 2.983 20 10 FFCDRO C[NH+]1CCN(c2ccc(-c3ccn(Cc4ccccc4)c(=O)c3)cn2)CC1 ZINC001235979306 1037875933 /nfs/dbraw/zinc/87/59/33/1037875933.db2.gz LPIOANVXSHRWGK-UHFFFAOYSA-N 1 0 360.461 2.710 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c(O)c1 ZINC001231844107 1037941903 /nfs/dbraw/zinc/94/19/03/1037941903.db2.gz DYLXQPLLVMMWQS-UTKZUKDTSA-N 1 0 360.498 2.620 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(O)c1 ZINC001231845051 1037943489 /nfs/dbraw/zinc/94/34/89/1037943489.db2.gz SHHHMSHJWXLYBJ-UTKZUKDTSA-N 1 0 354.450 2.931 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001231853493 1037951047 /nfs/dbraw/zinc/95/10/47/1037951047.db2.gz YTRBDDRAYKRCFX-OALUTQOASA-N 1 0 366.509 2.720 20 10 FFCDRO Cc1cc(O)c(C[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)cc1Cl ZINC001231869368 1037965747 /nfs/dbraw/zinc/96/57/47/1037965747.db2.gz MYIQOFZXWDTESW-IRXDYDNUSA-N 1 0 371.868 2.953 20 10 FFCDRO CNC(=O)C[N@@H+]1CCCC12CCN(Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231868878 1037966064 /nfs/dbraw/zinc/96/60/64/1037966064.db2.gz YNYIMXIHKXLLPD-UHFFFAOYSA-N 1 0 365.905 2.530 20 10 FFCDRO CCCN(Cc1ccc(OCCCC(=O)OCC)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236327866 1038047975 /nfs/dbraw/zinc/04/79/75/1038047975.db2.gz NCYHBCFHBWKYRR-QGZVFWFLSA-N 1 0 364.486 2.688 20 10 FFCDRO COC(=O)c1c(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c2ccccc2n1C ZINC001236599809 1038148265 /nfs/dbraw/zinc/14/82/65/1038148265.db2.gz DQQYJLCTUFPXPE-HNNXBMFYSA-N 1 0 355.482 2.929 20 10 FFCDRO COc1cc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(O)cc1Br ZINC001236752220 1038238245 /nfs/dbraw/zinc/23/82/45/1038238245.db2.gz UPSICSIRSKHWPR-RISCZKNCSA-N 1 0 355.276 2.689 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)[C@@H]1C ZINC001236752699 1038239162 /nfs/dbraw/zinc/23/91/62/1038239162.db2.gz FHEHYNALGCIUPH-PWSUYJOCSA-N 1 0 372.259 2.937 20 10 FFCDRO OCC[N@H+](Cc1ccccc1)Cc1cc(O)c(Br)cc1O ZINC001236771883 1038255448 /nfs/dbraw/zinc/25/54/48/1038255448.db2.gz GQFOOWYNKRHUNH-UHFFFAOYSA-N 1 0 352.228 2.855 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3nccc(OC)n3)C2)c(Cl)c1 ZINC001236806451 1038281720 /nfs/dbraw/zinc/28/17/20/1038281720.db2.gz WHZZFTZEZCQTDJ-NSHDSACASA-N 1 0 365.817 2.506 20 10 FFCDRO COc1cc(C)c(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c(O)c1 ZINC001236810162 1038283121 /nfs/dbraw/zinc/28/31/21/1038283121.db2.gz VWENXYBLCOXBJT-QGZVFWFLSA-N 1 0 371.481 2.964 20 10 FFCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001236808802 1038283870 /nfs/dbraw/zinc/28/38/70/1038283870.db2.gz MVUBOHTZCFZXHB-HDICACEKSA-N 1 0 366.461 2.913 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c(O)c1 ZINC001236808852 1038284005 /nfs/dbraw/zinc/28/40/05/1038284005.db2.gz CLEYEOVKPLAFCD-KXBFYZLASA-N 1 0 352.434 2.804 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001278023111 1038329539 /nfs/dbraw/zinc/32/95/39/1038329539.db2.gz LABIBRCOKMYMJA-ADLMAVQZSA-N 1 0 368.836 2.587 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCN(c4ccccc4)CC3)c(F)c2)CC1 ZINC001236931244 1038364333 /nfs/dbraw/zinc/36/43/33/1038364333.db2.gz IASMELOTRNEZGW-UHFFFAOYSA-N 1 0 368.500 2.900 20 10 FFCDRO Cc1nc([C@H]2CCCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2F)no1 ZINC001236937410 1038367701 /nfs/dbraw/zinc/36/77/01/1038367701.db2.gz GRRLJMQWRXMCPG-LJQANCHMSA-N 1 0 373.476 2.996 20 10 FFCDRO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943411 1038370810 /nfs/dbraw/zinc/37/08/10/1038370810.db2.gz RKBGHZRLEBHLGU-HNNXBMFYSA-N 1 0 365.493 2.740 20 10 FFCDRO CC(C)=CCN1CCC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278043710 1038414977 /nfs/dbraw/zinc/41/49/77/1038414977.db2.gz RLGYKHBQZMZWCV-UHFFFAOYSA-N 1 0 360.454 2.584 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001237043962 1038420660 /nfs/dbraw/zinc/42/06/60/1038420660.db2.gz UGPJQWAXLZKILY-KBAYOESNSA-N 1 0 359.426 2.977 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237047553 1038421551 /nfs/dbraw/zinc/42/15/51/1038421551.db2.gz LZLQKMUSNHLMKC-DOTOQJQBSA-N 1 0 366.458 2.515 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(O)c1 ZINC001237050885 1038423596 /nfs/dbraw/zinc/42/35/96/1038423596.db2.gz HGMDNBATKXWBEV-MOPGFXCFSA-N 1 0 368.481 2.643 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC001237059526 1038428848 /nfs/dbraw/zinc/42/88/48/1038428848.db2.gz LVKGIVCNHKQODH-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO C[C@@H]1N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCOC1(C)C ZINC001256236458 1038444057 /nfs/dbraw/zinc/44/40/57/1038444057.db2.gz GJWZOWQYZXTFDM-MAUKXSAKSA-N 1 0 362.518 2.564 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256334541 1038483335 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PJEKFIXQXKNKID-KBPBESRZSA-N 1 0 360.376 2.795 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncnc3sccc32)[NH+](C)C)cc1 ZINC001537484520 1070192907 /nfs/dbraw/zinc/19/29/07/1070192907.db2.gz XDCAGVBJWYKWAV-INIZCTEOSA-N 1 0 369.494 2.790 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(C)(C)OC(C)(C)C3)cc2)CC1 ZINC001246300568 1039304414 /nfs/dbraw/zinc/30/44/14/1039304414.db2.gz AKPNHYAKELKMNN-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3)cc2)CC1 ZINC001252213246 1039456797 /nfs/dbraw/zinc/45/67/97/1039456797.db2.gz JIDYBTOYGWKCDU-IZAXUBKRSA-N 1 0 374.529 2.584 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(CC(=O)C(C)(C)C)C3=O)C2)c1O ZINC001276683253 1039517985 /nfs/dbraw/zinc/51/79/85/1039517985.db2.gz IMNXNWLDBKSOBN-NRFANRHFSA-N 1 0 358.482 2.740 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)C(C)(C)C)c1O ZINC001276684022 1039543892 /nfs/dbraw/zinc/54/38/92/1039543892.db2.gz UGVQSPJPCNCKJA-IAGOWNOFSA-N 1 0 358.482 2.881 20 10 FFCDRO CCCCN1C(=O)COCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276684139 1039548012 /nfs/dbraw/zinc/54/80/12/1039548012.db2.gz WOJZLGMKEUETKZ-UHFFFAOYSA-N 1 0 354.450 2.759 20 10 FFCDRO CN(C1=CC[C@@H]([NH+]2CCCC2)CC1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001210714204 1039686290 /nfs/dbraw/zinc/68/62/90/1039686290.db2.gz MMQJXNYBAMQRPG-LJQANCHMSA-N 1 0 363.527 2.605 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(-c3noc(Cc4ccc(N)cc4)n3)c2)CC1 ZINC001248183533 1040163386 /nfs/dbraw/zinc/16/33/86/1040163386.db2.gz JHLPALHLDUZECU-UHFFFAOYSA-N 1 0 363.465 2.657 20 10 FFCDRO Cn1c(=O)cccc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001248810801 1040444673 /nfs/dbraw/zinc/44/46/73/1040444673.db2.gz YXSBUTRTBUCYEW-UHFFFAOYSA-N 1 0 367.371 2.606 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)c(O)c1 ZINC001249208215 1040627847 /nfs/dbraw/zinc/62/78/47/1040627847.db2.gz QCQZZUFTVDIUSH-OAQYLSRUSA-N 1 0 373.424 2.994 20 10 FFCDRO CC1(C)C=Cc2c(O)c(CN3CC[NH+](C4CCOCC4)CC3)ccc2O1 ZINC001249244248 1040645822 /nfs/dbraw/zinc/64/58/22/1040645822.db2.gz COPHKPCROCGXOT-UHFFFAOYSA-N 1 0 358.482 2.873 20 10 FFCDRO C[NH+]1CCC(CNC(=O)NCc2c(O)cccc2F)(c2ccccc2)CC1 ZINC001254503481 1040755973 /nfs/dbraw/zinc/75/59/73/1040755973.db2.gz SIQFLQBOHXGEBK-UHFFFAOYSA-N 1 0 371.456 2.994 20 10 FFCDRO CCC[N@H+](CCOC)Cc1ccc(OCCCC(=O)OCC)cc1O ZINC001249726246 1040963145 /nfs/dbraw/zinc/96/31/45/1040963145.db2.gz YYVHHFTWRFCIKC-UHFFFAOYSA-N 1 0 353.459 2.973 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOCC23CCC3)c(O)c1 ZINC001249735161 1040970606 /nfs/dbraw/zinc/97/06/06/1040970606.db2.gz FITCCDQNGCQSSF-UHFFFAOYSA-N 1 0 363.454 2.869 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC001249743682 1040973125 /nfs/dbraw/zinc/97/31/25/1040973125.db2.gz NDSUZSOYYPVXRP-LSDHHAIUSA-N 1 0 351.443 2.724 20 10 FFCDRO COC(=O)c1ccc(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c(O)c1 ZINC001249820637 1041019462 /nfs/dbraw/zinc/01/94/62/1041019462.db2.gz HUCNHYQHACORTH-UHFFFAOYSA-N 1 0 373.409 2.764 20 10 FFCDRO COC1(CC(=O)N2CC3(C2)CCC[N@H+](Cc2ccccc2O)C3)CCC1 ZINC001278551351 1041112290 /nfs/dbraw/zinc/11/22/90/1041112290.db2.gz HFRWYOQCRFKGIK-UHFFFAOYSA-N 1 0 358.482 2.776 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3COCc4ccccc43)cc2F)CC1 ZINC001261376297 1041198668 /nfs/dbraw/zinc/19/86/68/1041198668.db2.gz MCJDIMNJGYZLEJ-FQEVSTJZSA-N 1 0 355.457 2.939 20 10 FFCDRO COc1ccc(O)c(CN2CC3(C2)CC[N@H+](Cc2scnc2C)C3)c1 ZINC001278571513 1041218080 /nfs/dbraw/zinc/21/80/80/1041218080.db2.gz SHFKGYMDPKEKPP-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262350863 1041651323 /nfs/dbraw/zinc/65/13/23/1041651323.db2.gz IHNRVEXBHIPTAF-VLIAUNLRSA-N 1 0 371.529 2.690 20 10 FFCDRO Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(C)n1 ZINC001215828308 1041892548 /nfs/dbraw/zinc/89/25/48/1041892548.db2.gz FRQKALNDYBCIHS-LJQANCHMSA-N 1 0 355.486 2.611 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnc(Cl)c3)cc2)CC1 ZINC001215994841 1041926423 /nfs/dbraw/zinc/92/64/23/1041926423.db2.gz AXVDPERTNLMNHG-UHFFFAOYSA-N 1 0 359.861 2.809 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001263093636 1042098788 /nfs/dbraw/zinc/09/87/88/1042098788.db2.gz HCKBNDZFRFMRMR-UHFFFAOYSA-N 1 0 371.506 2.503 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001279127702 1042910886 /nfs/dbraw/zinc/91/08/86/1042910886.db2.gz CAGPTWURXZHZHQ-HDICACEKSA-N 1 0 362.514 2.959 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3COCCOC)cc1 ZINC001279150110 1042920548 /nfs/dbraw/zinc/92/05/48/1042920548.db2.gz RFPLKOMOAAADGZ-SFTDATJTSA-N 1 0 361.530 2.802 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NCC(F)(F)F)cc1 ZINC001279150376 1042921168 /nfs/dbraw/zinc/92/11/68/1042921168.db2.gz YJUXURDOZQVSEH-HOTGVXAUSA-N 1 0 370.419 2.673 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)Nc4cccnc4)C[C@H]32)c1O ZINC001279290313 1042985932 /nfs/dbraw/zinc/98/59/32/1042985932.db2.gz KVFQKIUXBLWOSM-MAUKXSAKSA-N 1 0 352.438 2.834 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001279293248 1042987676 /nfs/dbraw/zinc/98/76/76/1042987676.db2.gz FIAJIXAACUBULU-AEFFLSMTSA-N 1 0 356.466 2.672 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)c1O ZINC001279314646 1042996741 /nfs/dbraw/zinc/99/67/41/1042996741.db2.gz XHONRSCFNRPNKI-IRXDYDNUSA-N 1 0 372.490 2.886 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237401212 1043141906 /nfs/dbraw/zinc/14/19/06/1043141906.db2.gz CAOOGFHOZFJBFH-FZMZJTMJSA-N 1 0 355.276 2.737 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001237487442 1043199869 /nfs/dbraw/zinc/19/98/69/1043199869.db2.gz ZPMDZUFCIVSTII-OAQYLSRUSA-N 1 0 353.466 2.967 20 10 FFCDRO Oc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)cc1O ZINC001279514993 1043211335 /nfs/dbraw/zinc/21/13/35/1043211335.db2.gz WODRQTTVJJRGKX-BETUJISGSA-N 1 0 360.376 2.795 20 10 FFCDRO COc1cc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237671592 1043300972 /nfs/dbraw/zinc/30/09/72/1043300972.db2.gz CQBQHOFEPYJTGV-UHFFFAOYSA-N 1 0 354.447 2.708 20 10 FFCDRO COc1cc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c(O)c(OC)c1 ZINC001237671909 1043302059 /nfs/dbraw/zinc/30/20/59/1043302059.db2.gz CSNJMOSVBOMWBZ-UHFFFAOYSA-N 1 0 373.453 2.587 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c(O)c(OC)c1 ZINC001237676951 1043304582 /nfs/dbraw/zinc/30/45/82/1043304582.db2.gz UMHBSQAOAOZZHC-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(c3ncccc3C)CC2)c(O)c(OC)c1 ZINC001237676496 1043305734 /nfs/dbraw/zinc/30/57/34/1043305734.db2.gz OTYNRMCYSQWZLX-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(c3nncn3C)CC2)cc1Br ZINC001237680969 1043307740 /nfs/dbraw/zinc/30/77/40/1043307740.db2.gz GDSHCJMXIABLSU-UHFFFAOYSA-N 1 0 365.275 2.971 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)cc1Br ZINC001237687064 1043313208 /nfs/dbraw/zinc/31/32/08/1043313208.db2.gz YZPWBCDKNNZLDO-UHFFFAOYSA-N 1 0 367.287 2.907 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(Cc2cccc(=O)[nH]2)C3)c(O)c1 ZINC001279664073 1043425187 /nfs/dbraw/zinc/42/51/87/1043425187.db2.gz QIFMRLOHDBZWTF-UHFFFAOYSA-N 1 0 353.466 2.763 20 10 FFCDRO COc1cc(CN2CCCC3(C[NH+](C)C3)C2)c(O)cc1Br ZINC001279676567 1043449249 /nfs/dbraw/zinc/44/92/49/1043449249.db2.gz ZOSVNPFYPGDTSD-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001279686170 1043467438 /nfs/dbraw/zinc/46/74/38/1043467438.db2.gz OWNIKTPLAAVZBD-XJKSGUPXSA-N 1 0 366.387 2.840 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001238060069 1043505964 /nfs/dbraw/zinc/50/59/64/1043505964.db2.gz GTDHZJPTDMVVGE-RXVVDRJESA-N 1 0 369.440 2.763 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)c1O ZINC001238060402 1043506070 /nfs/dbraw/zinc/50/60/70/1043506070.db2.gz HULODIVUPPIPMX-SFHVURJKSA-N 1 0 369.440 2.873 20 10 FFCDRO CCOc1ccc(N2CCC[C@@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)cc1 ZINC001279732170 1043547888 /nfs/dbraw/zinc/54/78/88/1043547888.db2.gz WROFELCILLGVIU-OAQYLSRUSA-N 1 0 359.514 2.856 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N[C@H](C)c4ncc[nH]4)(C2)C3)cc1C ZINC001279733240 1043550533 /nfs/dbraw/zinc/55/05/33/1043550533.db2.gz NZJJTPIAVVSIHQ-WPUWVODUSA-N 1 0 354.454 2.616 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N(C)CC[NH3+])cc2)cc1 ZINC001238918138 1043951133 /nfs/dbraw/zinc/95/11/33/1043951133.db2.gz BORUZMSYEDLFDS-FMQUCBEESA-N 1 0 361.471 2.747 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH+](Cc2ccccc2O)CC3)C[C@@H](C)O1 ZINC001279968238 1044002424 /nfs/dbraw/zinc/00/24/24/1044002424.db2.gz IJJHGYGQOLYJOO-JFIYKMOQSA-N 1 0 358.482 2.630 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001279979708 1044026033 /nfs/dbraw/zinc/02/60/33/1044026033.db2.gz FAMVSDAULQKJRO-GHTZIAJQSA-N 1 0 356.466 2.791 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)c1O ZINC001279982052 1044032274 /nfs/dbraw/zinc/03/22/74/1044032274.db2.gz UNXFPABHGHBEMR-MRXNPFEDSA-N 1 0 360.454 2.557 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)NCC(F)F)C2)c1 ZINC001279984852 1044038175 /nfs/dbraw/zinc/03/81/75/1044038175.db2.gz RNQHPPYKEWAGEQ-BEFAXECRSA-N 1 0 368.424 2.774 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)c(Cl)c1 ZINC001280041993 1044125090 /nfs/dbraw/zinc/12/50/90/1044125090.db2.gz CSIUQZIOZXKTKF-UHFFFAOYSA-N 1 0 357.832 2.800 20 10 FFCDRO COCCN(C)C(=O)C12CC([NH2+]Cc3ccc(N(C)C)cc3Cl)(C1)C2 ZINC001280044687 1044130072 /nfs/dbraw/zinc/13/00/72/1044130072.db2.gz QFNZETKFNLBEBR-UHFFFAOYSA-N 1 0 365.905 2.523 20 10 FFCDRO CCO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001312853350 1044182547 /nfs/dbraw/zinc/18/25/47/1044182547.db2.gz QAYVMRZOZVCVGU-CEXWTWQISA-N 1 0 362.518 2.612 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N(O)Cc3ccc(F)cc3)cc2)CC1 ZINC001313213092 1044275401 /nfs/dbraw/zinc/27/54/01/1044275401.db2.gz ZQLRPXAZFOONFF-UHFFFAOYSA-N 1 0 372.444 2.679 20 10 FFCDRO c1cn(Cc2ccccc2)c2ncnc(-c3ccc(N4CC[NH2+]CC4)nc3)c12 ZINC001240486359 1044365920 /nfs/dbraw/zinc/36/59/20/1044365920.db2.gz DKGRKTFLHHZWDH-UHFFFAOYSA-N 1 0 370.460 2.951 20 10 FFCDRO O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292108 1044559693 /nfs/dbraw/zinc/55/96/93/1044559693.db2.gz HKIWPNFBARHWSJ-LPHOPBHVSA-N 1 0 358.417 2.885 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001280313094 1044588211 /nfs/dbraw/zinc/58/82/11/1044588211.db2.gz PUXYIZRHRKGWAP-BLLLJJGKSA-N 1 0 353.260 2.632 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2cn[nH]c2)c1O ZINC001280346203 1044635398 /nfs/dbraw/zinc/63/53/98/1044635398.db2.gz KWKOGSJZDXDTGT-JLVBRIDZSA-N 1 0 354.454 2.829 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)COCCc2ccccc2)[NH+](C)C)cc1 ZINC001539236370 1070594110 /nfs/dbraw/zinc/59/41/10/1070594110.db2.gz SMWRLGIAAMKMGN-OAQYLSRUSA-N 1 0 369.509 2.731 20 10 FFCDRO CC(C)Oc1cncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001539704598 1070684056 /nfs/dbraw/zinc/68/40/56/1070684056.db2.gz CLKSDBIWKBNIQV-FQEVSTJZSA-N 1 0 370.497 2.968 20 10 FFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC001321979961 1045901415 /nfs/dbraw/zinc/90/14/15/1045901415.db2.gz MXMSWTKBHXMXHE-KGLIPLIRSA-N 1 0 370.291 2.827 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](CO)CC3CCOCC3)CC2)cc1 ZINC001322129536 1045963208 /nfs/dbraw/zinc/96/32/08/1045963208.db2.gz IQUBIEGJYBBHJM-SFHVURJKSA-N 1 0 362.514 2.679 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CN(C)Cc4ccccc43)cc2F)CC1 ZINC001323023901 1046311261 /nfs/dbraw/zinc/31/12/61/1046311261.db2.gz AABOGHRWZPMRQZ-OAQYLSRUSA-N 1 0 368.500 2.854 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001325312571 1046462760 /nfs/dbraw/zinc/46/27/60/1046462760.db2.gz ZSDHRGYJUKXXCK-UHFFFAOYSA-N 1 0 354.545 2.801 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC001325357651 1046482474 /nfs/dbraw/zinc/48/24/74/1046482474.db2.gz VJMQKSRPINXIEQ-RBSFLKMASA-N 1 0 354.454 2.768 20 10 FFCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001326129788 1046777531 /nfs/dbraw/zinc/77/75/31/1046777531.db2.gz OKVZZEBQUGHGHK-FQEVSTJZSA-N 1 0 371.500 2.579 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccc(F)cc1 ZINC001326531410 1046970258 /nfs/dbraw/zinc/97/02/58/1046970258.db2.gz MPEDTUWEHKPKLO-LJQANCHMSA-N 1 0 373.472 2.810 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3F)cc2)CC1 ZINC001288334594 1047449332 /nfs/dbraw/zinc/44/93/32/1047449332.db2.gz LGYRYFFTOSUCRJ-FLIBITNWSA-N 1 0 353.441 2.907 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001331332745 1047869826 /nfs/dbraw/zinc/86/98/26/1047869826.db2.gz IWHLQUZEFADCTN-XCJLJZCSSA-N 1 0 372.509 2.898 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327471018 1047910870 /nfs/dbraw/zinc/91/08/70/1047910870.db2.gz RARJWKNRDHCBIO-UHFFFAOYSA-N 1 0 356.514 2.962 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cc2F)CC1 ZINC001331397783 1047914269 /nfs/dbraw/zinc/91/42/69/1047914269.db2.gz FLLARMMAIKDCNV-SIKLNZKXSA-N 1 0 369.484 2.885 20 10 FFCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001331682708 1048059083 /nfs/dbraw/zinc/05/90/83/1048059083.db2.gz ZKMTWIZCQXMCCK-GOSISDBHSA-N 1 0 363.477 2.747 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1F ZINC001328818588 1048477003 /nfs/dbraw/zinc/47/70/03/1048477003.db2.gz HENQRYOZYWKOFC-ZWKOTPCHSA-N 1 0 355.457 2.853 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC001329156669 1048599695 /nfs/dbraw/zinc/59/96/95/1048599695.db2.gz RMYQKPFDWMARBB-UHFFFAOYSA-N 1 0 354.273 2.789 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC001329755635 1048894688 /nfs/dbraw/zinc/89/46/88/1048894688.db2.gz SKYQNPQBXWHGIB-HXUWFJFHSA-N 1 0 353.466 2.977 20 10 FFCDRO COc1ccc(C[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1Cn1cccn1 ZINC001330777310 1049323569 /nfs/dbraw/zinc/32/35/69/1049323569.db2.gz JJKXRIFMTXMJGF-QGZVFWFLSA-N 1 0 370.497 2.678 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001542171452 1071182875 /nfs/dbraw/zinc/18/28/75/1071182875.db2.gz MZNUWEHZVZZUCP-HXUWFJFHSA-N 1 0 357.498 2.751 20 10 FFCDRO C[C@H](NC(=O)c1cc2c(s1)C[NH2+]CC2)c1ccc(N2CCOCC2)cc1 ZINC001340837618 1051177432 /nfs/dbraw/zinc/17/74/32/1051177432.db2.gz BOOHNQRASNNMMI-AWEZNQCLSA-N 1 0 371.506 2.721 20 10 FFCDRO CC(=O)c1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001342706254 1051322672 /nfs/dbraw/zinc/32/26/72/1051322672.db2.gz BDVMCROYBHWZLH-OAQYLSRUSA-N 1 0 367.493 2.917 20 10 FFCDRO CCNc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC001304768928 1051690370 /nfs/dbraw/zinc/69/03/70/1051690370.db2.gz QKZFRYXNBAKALE-INIZCTEOSA-N 1 0 361.515 2.674 20 10 FFCDRO CCNc1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC001304768931 1051690654 /nfs/dbraw/zinc/69/06/54/1051690654.db2.gz QKZFRYXNBAKALE-MRXNPFEDSA-N 1 0 361.515 2.674 20 10 FFCDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc2oc3ccccc3c2cc1O ZINC000751940694 1052245424 /nfs/dbraw/zinc/24/54/24/1052245424.db2.gz WIIMDCVYZCLJPC-UHFFFAOYSA-N 1 0 374.462 2.759 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001308010767 1052383251 /nfs/dbraw/zinc/38/32/51/1052383251.db2.gz YYHREORMNPTKGU-ARFHVFGLSA-N 1 0 370.449 2.730 20 10 FFCDRO COc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1Cn1cccn1 ZINC001308250301 1052436809 /nfs/dbraw/zinc/43/68/09/1052436809.db2.gz BNHVOARJFHSHFL-UHFFFAOYSA-N 1 0 374.485 2.944 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]2C1 ZINC001308728696 1052492044 /nfs/dbraw/zinc/49/20/44/1052492044.db2.gz SGBOAWJDRYHICQ-BETUJISGSA-N 1 0 354.397 2.969 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001308765321 1052496718 /nfs/dbraw/zinc/49/67/18/1052496718.db2.gz MKHHRXDLAQXRPR-MSOLQXFVSA-N 1 0 357.454 2.761 20 10 FFCDRO NC(=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000754889069 1052513577 /nfs/dbraw/zinc/51/35/77/1052513577.db2.gz JGBJULKSTNVMSC-UHFFFAOYSA-N 1 0 360.458 2.720 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@]12CCCO2 ZINC001308972056 1052528598 /nfs/dbraw/zinc/52/85/98/1052528598.db2.gz MQEIVJRMDIBZPM-UWHLTILDSA-N 1 0 361.530 2.672 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]c1C ZINC001308972491 1052528638 /nfs/dbraw/zinc/52/86/38/1052528638.db2.gz PSBUFEYIHJWUCU-FQEVSTJZSA-N 1 0 372.513 2.958 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001345791423 1052613164 /nfs/dbraw/zinc/61/31/64/1052613164.db2.gz BYGASGXWVITZNJ-HNNXBMFYSA-N 1 0 358.511 2.778 20 10 FFCDRO Nc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001335567931 1053440735 /nfs/dbraw/zinc/44/07/35/1053440735.db2.gz HDFJHYLQOBBZCY-QFBILLFUSA-N 1 0 356.445 2.600 20 10 FFCDRO OCC1([C@@H]([NH2+]Cc2c(O)cccc2Br)C2CC2)CCOCC1 ZINC001351618233 1054923450 /nfs/dbraw/zinc/92/34/50/1054923450.db2.gz ASEABECGMOTTTP-INIZCTEOSA-N 1 0 370.287 2.812 20 10 FFCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2c(O)cccc2F)cc1 ZINC001348856824 1054964242 /nfs/dbraw/zinc/96/42/42/1054964242.db2.gz XYXUGGNOFNNIOZ-UHFFFAOYSA-N 1 0 373.428 2.628 20 10 FFCDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001543691944 1071526165 /nfs/dbraw/zinc/52/61/65/1071526165.db2.gz OKPSRDQTGFUPHE-HNNXBMFYSA-N 1 0 354.450 2.982 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCN(c3nncn3C)CC2)cc1 ZINC000848925145 1055378230 /nfs/dbraw/zinc/37/82/30/1055378230.db2.gz OUDQIMHMFXOHOP-UHFFFAOYSA-N 1 0 356.518 2.764 20 10 FFCDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCC1 ZINC001338433021 1055510045 /nfs/dbraw/zinc/51/00/45/1055510045.db2.gz UJVBQFZDQLXRLZ-IBGZPJMESA-N 1 0 368.481 2.914 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001350154374 1055651481 /nfs/dbraw/zinc/65/14/81/1055651481.db2.gz KBBRSKYXUZWSPQ-WDEREUQCSA-N 1 0 351.390 2.816 20 10 FFCDRO O=C(NCCCSc1nccs1)c1ncoc1C1CC[NH2+]CC1 ZINC001357268007 1055850170 /nfs/dbraw/zinc/85/01/70/1055850170.db2.gz DLIYBAZYWRBFLO-UHFFFAOYSA-N 1 0 352.485 2.510 20 10 FFCDRO Cc1cc(N)cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001357484583 1055921864 /nfs/dbraw/zinc/92/18/64/1055921864.db2.gz SLTCKRZSCGDGOX-FQEVSTJZSA-N 1 0 369.513 2.745 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c(F)ccnc2Cl)[NH+](C)C)cc1 ZINC001353172315 1056150401 /nfs/dbraw/zinc/15/04/01/1056150401.db2.gz ANAQXSSTHWQBKC-HNNXBMFYSA-N 1 0 364.852 2.973 20 10 FFCDRO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC001200345400 1056426378 /nfs/dbraw/zinc/42/63/78/1056426378.db2.gz FJJSGVXXZQVEIP-CQSZACIVSA-N 1 0 358.313 2.957 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N)cc2)c1 ZINC001353539597 1056514115 /nfs/dbraw/zinc/51/41/15/1056514115.db2.gz NTPGPIHLFWIZKW-UHFFFAOYSA-N 1 0 356.470 2.551 20 10 FFCDRO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000849349635 1056835560 /nfs/dbraw/zinc/83/55/60/1056835560.db2.gz DTAOUNXJXWSXFC-VXKWHMMOSA-N 1 0 369.484 2.898 20 10 FFCDRO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001545632568 1071823389 /nfs/dbraw/zinc/82/33/89/1071823389.db2.gz PGFGCZVXZOCDPL-BGIURUKPSA-N 1 0 366.889 2.797 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640568 1060385126 /nfs/dbraw/zinc/38/51/26/1060385126.db2.gz RYAQIVDNPNGZSN-ZYSHUDEJSA-N 1 0 359.514 2.663 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnc4cnccn34)cc2F)C[C@H](C)O1 ZINC001461064657 1061201257 /nfs/dbraw/zinc/20/12/57/1061201257.db2.gz CVERDOJJELXPLH-GJZGRUSLSA-N 1 0 369.444 2.772 20 10 FFCDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 ZINC001461088636 1061207713 /nfs/dbraw/zinc/20/77/13/1061207713.db2.gz ZAJHDBKIRFGHKS-CMKODMSKSA-N 1 0 359.514 2.683 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H](CO)Cc3ccccc3)cc2F)CC1 ZINC001461101083 1061208886 /nfs/dbraw/zinc/20/88/86/1061208886.db2.gz PBEQXPXSXXLPPN-FQEVSTJZSA-N 1 0 371.500 2.518 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000765546743 1061554266 /nfs/dbraw/zinc/55/42/66/1061554266.db2.gz UWHIPNWFQXRCMZ-AJKQWTFCSA-N 1 0 359.426 2.702 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000765844688 1061598295 /nfs/dbraw/zinc/59/82/95/1061598295.db2.gz HSCPUWHRIKXQHB-YWZLYKJASA-N 1 0 371.437 2.816 20 10 FFCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000767740238 1061792744 /nfs/dbraw/zinc/79/27/44/1061792744.db2.gz UAMFIQYADSJDCV-UHFFFAOYSA-N 1 0 363.458 2.605 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1)C1CCCCC1 ZINC001464534376 1062671534 /nfs/dbraw/zinc/67/15/34/1062671534.db2.gz ARHATTHWMOHKSI-CTNGQTDRSA-N 1 0 359.514 2.527 20 10 FFCDRO C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001468118020 1063929004 /nfs/dbraw/zinc/92/90/04/1063929004.db2.gz WNZDMTQORYQPTE-INIZCTEOSA-N 1 0 354.450 2.621 20 10 FFCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001468728943 1064028675 /nfs/dbraw/zinc/02/86/75/1064028675.db2.gz UFMHQGXLAWXISW-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO C[C@@H]1CCc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn2C1 ZINC001472280509 1064998407 /nfs/dbraw/zinc/99/84/07/1064998407.db2.gz FOZMJIVWNQGBOZ-BEFAXECRSA-N 1 0 369.513 2.564 20 10 FFCDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC001473722456 1065331892 /nfs/dbraw/zinc/33/18/92/1065331892.db2.gz JHXWWJZAHRNWBW-GFCCVEGCSA-N 1 0 359.382 2.988 20 10 FFCDRO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)C1 ZINC001473729685 1065335889 /nfs/dbraw/zinc/33/58/89/1065335889.db2.gz HIVBTSADWOEVAQ-OAQYLSRUSA-N 1 0 371.481 2.879 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccccc3C)CCO2)c1 ZINC001474673002 1065575496 /nfs/dbraw/zinc/57/54/96/1065575496.db2.gz QHZPSIPEHLPFBG-HXUWFJFHSA-N 1 0 356.466 2.700 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC3(C2)CCC[NH2+]C3)c1 ZINC001579589885 1078646871 /nfs/dbraw/zinc/64/68/71/1078646871.db2.gz PIVOVGJXXMGZBZ-UHFFFAOYSA-N 1 0 351.450 2.732 20 10 FFCDRO Cc1cc2c(cc1Br)N(C(=O)C1=CC[C@H]([NH3+])C1)C[C@H](C)O2 ZINC001579643776 1078653470 /nfs/dbraw/zinc/65/34/70/1078653470.db2.gz IWMMVPSWOONSMK-JQWIXIFHSA-N 1 0 351.244 2.919 20 10 FFCDRO [NH3+][C@H]1CCSC2(CC(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC001580198188 1078763873 /nfs/dbraw/zinc/76/38/73/1078763873.db2.gz CWQBKSIKSDXDSW-GNZRSQJKSA-N 1 0 359.539 2.906 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001557386059 1075844601 /nfs/dbraw/zinc/84/46/01/1075844601.db2.gz BZRGEFQJQFRJHO-FQEVSTJZSA-N 1 0 374.868 2.689 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)CC1 ZINC001559268164 1076143013 /nfs/dbraw/zinc/14/30/13/1076143013.db2.gz UJEYFZFTDBFSAP-UHFFFAOYSA-N 1 0 372.454 2.668 20 10 FFCDRO COc1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1Cn1cccn1 ZINC001560255362 1076256924 /nfs/dbraw/zinc/25/69/24/1076256924.db2.gz NMCOMSDSULJVJH-HDICACEKSA-N 1 0 372.513 2.529 20 10 FFCDRO CCOc1nccc(C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001586061821 1079538163 /nfs/dbraw/zinc/53/81/63/1079538163.db2.gz VYLOVXYCIACOLR-SFHVURJKSA-N 1 0 370.497 2.887 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cncc(Cl)n3)CC2)cc1 ZINC000053552978 506403820 /nfs/dbraw/zinc/40/38/20/506403820.db2.gz JSKLRLCTHOOVNV-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786433 506622800 /nfs/dbraw/zinc/62/28/00/506622800.db2.gz GVKLMGAZGZITKV-GOSISDBHSA-N 1 0 374.529 2.587 20 10 FFCDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000090102684 507909076 /nfs/dbraw/zinc/90/90/76/507909076.db2.gz UTWAMRZLYRHIHM-OAHLLOKOSA-N 1 0 372.506 2.528 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000090171207 507913548 /nfs/dbraw/zinc/91/35/48/507913548.db2.gz QLISZYJPSXPWDR-MSOLQXFVSA-N 1 0 355.486 2.641 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1O ZINC000079388040 507956987 /nfs/dbraw/zinc/95/69/87/507956987.db2.gz DRACDHSPXBZGPF-UHFFFAOYSA-N 1 0 362.445 2.958 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000073915723 507966832 /nfs/dbraw/zinc/96/68/32/507966832.db2.gz NXCDZNRXUKJSOS-MRXNPFEDSA-N 1 0 350.482 2.765 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000367211171 512387671 /nfs/dbraw/zinc/38/76/71/512387671.db2.gz CHGJRVZQCUZZPD-LBPRGKRZSA-N 1 0 360.845 2.830 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)cc1 ZINC000103320936 508306805 /nfs/dbraw/zinc/30/68/05/508306805.db2.gz VQUFVDONLNSXBW-UHFFFAOYSA-N 1 0 374.529 2.649 20 10 FFCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000105266349 508367783 /nfs/dbraw/zinc/36/77/83/508367783.db2.gz KDOYZCDQHQDQHP-QAPCUYQASA-N 1 0 361.486 2.566 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000156834602 508484029 /nfs/dbraw/zinc/48/40/29/508484029.db2.gz NJQGPKZLGZIPFF-INIZCTEOSA-N 1 0 371.872 2.843 20 10 FFCDRO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000160176202 508950020 /nfs/dbraw/zinc/95/00/20/508950020.db2.gz YDPVLQHAMUUMIJ-KRWDZBQOSA-N 1 0 357.454 2.603 20 10 FFCDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1cc(F)ccc1O ZINC000186141375 509542295 /nfs/dbraw/zinc/54/22/95/509542295.db2.gz GGRMSQNXXDLFLT-LLVKDONJSA-N 1 0 358.460 2.564 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)cc1 ZINC000192521687 509545675 /nfs/dbraw/zinc/54/56/75/509545675.db2.gz PJYMOIPZCPCEEI-NRFANRHFSA-N 1 0 353.466 2.608 20 10 FFCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000183049412 509566091 /nfs/dbraw/zinc/56/60/91/509566091.db2.gz YPYUEADVBINONQ-QUCCMNQESA-N 1 0 354.498 2.689 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Br)ccc1O ZINC000186374975 509678279 /nfs/dbraw/zinc/67/82/79/509678279.db2.gz CJRTUTFOKYELDC-WCQYABFASA-N 1 0 372.259 2.727 20 10 FFCDRO Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(OCC[NH+](C)C)c1 ZINC000268450587 509937646 /nfs/dbraw/zinc/93/76/46/509937646.db2.gz FPBSMJWWCRCUHW-UHFFFAOYSA-N 1 0 373.453 2.711 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1O ZINC000187090215 510051085 /nfs/dbraw/zinc/05/10/85/510051085.db2.gz LVUIIBLUDBMZKH-MRVPVSSYSA-N 1 0 369.181 2.792 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1F ZINC000187188482 510110954 /nfs/dbraw/zinc/11/09/54/510110954.db2.gz YRHQGYDPZTVKEL-AWEZNQCLSA-N 1 0 356.507 2.975 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000181264009 510327015 /nfs/dbraw/zinc/32/70/15/510327015.db2.gz MUVVYQZCYSVSDJ-GOSISDBHSA-N 1 0 367.493 2.533 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccoc3)cc2F)CC1 ZINC000171724980 510333706 /nfs/dbraw/zinc/33/37/06/510333706.db2.gz UAJWTFAQPFMFOU-UHFFFAOYSA-N 1 0 360.433 2.560 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000184694744 510468294 /nfs/dbraw/zinc/46/82/94/510468294.db2.gz QACWFCHPUXFIHD-QGZVFWFLSA-N 1 0 365.861 2.733 20 10 FFCDRO COC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000181645958 510520037 /nfs/dbraw/zinc/52/00/37/510520037.db2.gz WIOPIAUILRFDAP-FQEVSTJZSA-N 1 0 355.482 2.688 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000185140501 510707220 /nfs/dbraw/zinc/70/72/20/510707220.db2.gz BNDORGOYOADINF-CXAGYDPISA-N 1 0 356.919 2.904 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000275378074 510890825 /nfs/dbraw/zinc/89/08/25/510890825.db2.gz WZBSOBXYYFOYFC-ABAIWWIYSA-N 1 0 358.276 2.901 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282262719 510907080 /nfs/dbraw/zinc/90/70/80/510907080.db2.gz QZFUWBZJFUVRKQ-OAQYLSRUSA-N 1 0 373.541 2.756 20 10 FFCDRO C[NH+](C)C1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCC1 ZINC000275681994 510910014 /nfs/dbraw/zinc/91/00/14/510910014.db2.gz UOKATJJAKWUBJO-KRWDZBQOSA-N 1 0 361.486 2.567 20 10 FFCDRO CCOCc1cc(C[NH2+]C2CCN(c3cccnn3)CC2)ccc1OC ZINC000276940129 510950784 /nfs/dbraw/zinc/95/07/84/510950784.db2.gz ANHLTFAIGAKPEQ-UHFFFAOYSA-N 1 0 356.470 2.780 20 10 FFCDRO Cc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000277369968 510961803 /nfs/dbraw/zinc/96/18/03/510961803.db2.gz CFAHOWQMUNLHOS-KRWDZBQOSA-N 1 0 370.497 2.720 20 10 FFCDRO COc1c(O)c(CNCc2csc([C@H](C)OC)n2)ccc1[N+](=O)[O-] ZINC000278295104 510987998 /nfs/dbraw/zinc/98/79/98/510987998.db2.gz CACFDPXINCTUHK-VIFPVBQESA-N 1 0 353.400 2.763 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278450912 510993914 /nfs/dbraw/zinc/99/39/14/510993914.db2.gz LKVMVFYRERUDCC-GOEBONIOSA-N 1 0 372.469 2.540 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nnc(C(F)F)o3)CC2)cc1 ZINC000278730197 511004944 /nfs/dbraw/zinc/00/49/44/511004944.db2.gz PVEJHEOYMDORLE-UHFFFAOYSA-N 1 0 367.400 2.640 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCC1(O)CCOCC1 ZINC000289074794 511093284 /nfs/dbraw/zinc/09/32/84/511093284.db2.gz ANQDNSHYEUMHPD-UHFFFAOYSA-N 1 0 357.450 2.992 20 10 FFCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(OC)cc2OC)c1O ZINC000271182252 511110668 /nfs/dbraw/zinc/11/06/68/511110668.db2.gz MIZVXTVBJWHPMP-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO COc1cc(N2CC[NH+](CC3(SC)CC3)CC2)cc(OC)c1OC ZINC000290209957 511130568 /nfs/dbraw/zinc/13/05/68/511130568.db2.gz DTGDSZSJERSLEM-UHFFFAOYSA-N 1 0 352.500 2.730 20 10 FFCDRO COc1cc(N2CC[NH+](CC3CC(F)(F)C3)CC2)cc(OC)c1OC ZINC000295071374 511270838 /nfs/dbraw/zinc/27/08/38/511270838.db2.gz AGUMESQDZWACDZ-UHFFFAOYSA-N 1 0 356.413 2.880 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1OC ZINC000271754685 511312420 /nfs/dbraw/zinc/31/24/20/511312420.db2.gz CMWILFMDGVRWGB-GFCCVEGCSA-N 1 0 354.447 2.754 20 10 FFCDRO COc1ccc(O)c(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)c1 ZINC000271856260 511348895 /nfs/dbraw/zinc/34/88/95/511348895.db2.gz VADFJQXSQCWHPJ-UHFFFAOYSA-N 1 0 356.470 2.938 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272049665 511412816 /nfs/dbraw/zinc/41/28/16/511412816.db2.gz HHAPLQHYWMHWSM-GUYCJALGSA-N 1 0 370.419 2.977 20 10 FFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000273156737 511519607 /nfs/dbraw/zinc/51/96/07/511519607.db2.gz ASWMFRWUVUXJOT-CQSZACIVSA-N 1 0 365.493 2.570 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000273299406 511522029 /nfs/dbraw/zinc/52/20/29/511522029.db2.gz BAIJCTUCUIVCBY-CYBMUJFWSA-N 1 0 356.422 2.731 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)ccc1O ZINC000295853561 511536138 /nfs/dbraw/zinc/53/61/38/511536138.db2.gz DZSCWWCHBHHOEC-OAHLLOKOSA-N 1 0 357.292 2.652 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1O ZINC000273696183 511577231 /nfs/dbraw/zinc/57/72/31/511577231.db2.gz CJKMSGNHJXRPKC-HZPDHXFCSA-N 1 0 351.830 2.628 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000295999228 511583448 /nfs/dbraw/zinc/58/34/48/511583448.db2.gz OFVIIVVAVJVACR-CXAGYDPISA-N 1 0 360.479 2.981 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1O ZINC000280832316 511620911 /nfs/dbraw/zinc/62/09/11/511620911.db2.gz WYHGZMPFGKIRHM-KBXCAEBGSA-N 1 0 363.479 2.973 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Br)ccc1O ZINC000281013599 511688915 /nfs/dbraw/zinc/68/89/15/511688915.db2.gz YVIFNAPKOBIFSY-ZOWXZIJZSA-N 1 0 358.276 2.840 20 10 FFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000296439094 511743511 /nfs/dbraw/zinc/74/35/11/511743511.db2.gz MFNFBEKEZDJYIQ-BEFAXECRSA-N 1 0 365.493 2.816 20 10 FFCDRO COC(=O)[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000364034439 511918626 /nfs/dbraw/zinc/91/86/26/511918626.db2.gz NDCOGXHQIYWVON-VNHYZAJKSA-N 1 0 364.442 2.594 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000366321589 511958237 /nfs/dbraw/zinc/95/82/37/511958237.db2.gz WTATTZKAQZRJLI-HKUYNNGSSA-N 1 0 373.428 2.785 20 10 FFCDRO COCCN(CCOC)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000285086958 511994237 /nfs/dbraw/zinc/99/42/37/511994237.db2.gz KECJAIQUTQLZJH-UHFFFAOYSA-N 1 0 350.503 2.568 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000375690803 512457508 /nfs/dbraw/zinc/45/75/08/512457508.db2.gz IGCQHFHOPNASIT-INIZCTEOSA-N 1 0 371.437 2.921 20 10 FFCDRO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378429813 512755689 /nfs/dbraw/zinc/75/56/89/512755689.db2.gz TWLLJQOCNHBUBM-MAZHCROVSA-N 1 0 352.862 2.551 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000378461416 512772440 /nfs/dbraw/zinc/77/24/40/512772440.db2.gz YUFPMUQYRRNLLQ-ZBFHGGJFSA-N 1 0 356.260 2.891 20 10 FFCDRO O=C(CC1CC[NH2+]CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370778665 513096053 /nfs/dbraw/zinc/09/60/53/513096053.db2.gz GPKXARZXPSDXFG-UHFFFAOYSA-N 1 0 367.440 2.763 20 10 FFCDRO CCOCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435487373 513602068 /nfs/dbraw/zinc/60/20/68/513602068.db2.gz QYJPMIPXSXRJMZ-UHFFFAOYSA-N 1 0 357.498 2.951 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCOC2)C1 ZINC000435549340 513615949 /nfs/dbraw/zinc/61/59/49/513615949.db2.gz KDCYCBBOZNRCMM-KRWDZBQOSA-N 1 0 369.509 2.951 20 10 FFCDRO COCCc1noc(CC2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000530103673 517567437 /nfs/dbraw/zinc/56/74/37/517567437.db2.gz LONBPMIYVKSXHD-UHFFFAOYSA-N 1 0 371.481 2.908 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)CC2)cc1 ZINC000154145457 728797310 /nfs/dbraw/zinc/79/73/10/728797310.db2.gz CNTFRMZCYJBMJY-RBUKOAKNSA-N 1 0 366.527 2.609 20 10 FFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162478278 728945659 /nfs/dbraw/zinc/94/56/59/728945659.db2.gz ONWCMJWLZLUSNE-IBGZPJMESA-N 1 0 361.511 2.772 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1O ZINC000898399009 735355533 /nfs/dbraw/zinc/35/55/33/735355533.db2.gz MBGRDXQCLORTDQ-VWLOTQADSA-N 1 0 369.531 2.577 20 10 FFCDRO Cc1cc(F)ncc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000899260408 735467602 /nfs/dbraw/zinc/46/76/02/735467602.db2.gz FZNNMCZPUNUIOJ-JYRVWZFOSA-N 1 0 351.472 2.825 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCO1 ZINC000093460516 728476256 /nfs/dbraw/zinc/47/62/56/728476256.db2.gz JBXUNAGWKQDPID-AWEZNQCLSA-N 1 0 372.259 2.699 20 10 FFCDRO CC[N@H+](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000101983806 728488605 /nfs/dbraw/zinc/48/86/05/728488605.db2.gz TYIBQXFDCJGYCL-UHFFFAOYSA-N 1 0 362.543 2.523 20 10 FFCDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000119459533 728594624 /nfs/dbraw/zinc/59/46/24/728594624.db2.gz CWTXCHOHXXIESV-CYBMUJFWSA-N 1 0 365.474 2.732 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000122908419 728653246 /nfs/dbraw/zinc/65/32/46/728653246.db2.gz DSJUHKACRGDNAO-UHFFFAOYSA-N 1 0 367.559 2.827 20 10 FFCDRO CC(C)OCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268979 728729437 /nfs/dbraw/zinc/72/94/37/728729437.db2.gz XHLHRDQGCGJMRA-INIZCTEOSA-N 1 0 354.878 2.941 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)C)cc2F)CC1 ZINC000171723674 729011578 /nfs/dbraw/zinc/01/15/78/729011578.db2.gz YADRVOLHTAUNIW-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924718477 738441254 /nfs/dbraw/zinc/44/12/54/738441254.db2.gz YWIXDOKLNGKHIM-DEYYWGMASA-N 1 0 352.450 2.680 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnnn1C ZINC000924909081 738461217 /nfs/dbraw/zinc/46/12/17/738461217.db2.gz ZOFVLKVGUDNDEO-GFCCVEGCSA-N 1 0 351.401 2.736 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000779432679 738463906 /nfs/dbraw/zinc/46/39/06/738463906.db2.gz ZHBAVYJAHIYJEQ-UHFFFAOYSA-N 1 0 351.248 2.609 20 10 FFCDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(Br)ccc2O)c[nH]1 ZINC000858288849 730421887 /nfs/dbraw/zinc/42/18/87/730421887.db2.gz FVLBRKYTJWBEIQ-CJNGLKHVSA-N 1 0 365.227 2.875 20 10 FFCDRO COC1(OC)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925161251 738484361 /nfs/dbraw/zinc/48/43/61/738484361.db2.gz OKCVDUWGFVLIIN-CZUORRHYSA-N 1 0 356.413 2.998 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161908 738484429 /nfs/dbraw/zinc/48/44/29/738484429.db2.gz RMGNSBANPHFSMP-STQMWFEESA-N 1 0 351.401 2.736 20 10 FFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862478757 730704074 /nfs/dbraw/zinc/70/40/74/730704074.db2.gz PKPXQOSCZDHKMN-RHSMWYFYSA-N 1 0 350.459 2.815 20 10 FFCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000863340644 730770788 /nfs/dbraw/zinc/77/07/88/730770788.db2.gz MOBIVFAOWHPRPG-HNNXBMFYSA-N 1 0 354.516 2.585 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000768840336 737465303 /nfs/dbraw/zinc/46/53/03/737465303.db2.gz BZSPNMCVCPVLEO-NSHDSACASA-N 1 0 370.243 2.697 20 10 FFCDRO C[N@@H+]1CCC[C@@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925320699 738496841 /nfs/dbraw/zinc/49/68/41/738496841.db2.gz GHFPQWNPOIBDNN-ZDUSSCGKSA-N 1 0 365.861 2.542 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1(C)OCCO1 ZINC000865674075 730984003 /nfs/dbraw/zinc/98/40/03/730984003.db2.gz GWHPXJMTPREKHJ-HNNXBMFYSA-N 1 0 352.450 2.541 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1(C)OCCO1 ZINC000865674076 730984235 /nfs/dbraw/zinc/98/42/35/730984235.db2.gz GWHPXJMTPREKHJ-OAHLLOKOSA-N 1 0 352.450 2.541 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)cc1 ZINC000866578082 731076138 /nfs/dbraw/zinc/07/61/38/731076138.db2.gz JDMNSWKKNONDFI-GFCCVEGCSA-N 1 0 368.886 2.847 20 10 FFCDRO O=C(CC1CSC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765560 731096851 /nfs/dbraw/zinc/09/68/51/731096851.db2.gz YWZIXZUJGCKHJX-HNNXBMFYSA-N 1 0 354.903 2.879 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000925851262 738536950 /nfs/dbraw/zinc/53/69/50/738536950.db2.gz RCLKVERNOFYSCN-SWLSCSKDSA-N 1 0 352.862 2.772 20 10 FFCDRO COC(=O)c1csc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000876946863 732301450 /nfs/dbraw/zinc/30/14/50/732301450.db2.gz WVFNWHDUOIFMOY-UHFFFAOYSA-N 1 0 364.442 2.800 20 10 FFCDRO CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC000877335551 732346078 /nfs/dbraw/zinc/34/60/78/732346078.db2.gz YAYFBUNURQHEKC-UHFFFAOYSA-N 1 0 353.457 2.520 20 10 FFCDRO CCC[C@@H](C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000877345688 732347533 /nfs/dbraw/zinc/34/75/33/732347533.db2.gz JRYYXDYXYKWVOQ-INIZCTEOSA-N 1 0 352.475 2.650 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)[nH]c1C ZINC000877521080 732379551 /nfs/dbraw/zinc/37/95/51/732379551.db2.gz PTZSYRDBEWXLES-UHFFFAOYSA-N 1 0 353.216 2.868 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1[O-] ZINC000926947574 738671805 /nfs/dbraw/zinc/67/18/05/738671805.db2.gz KENSLBJWCLSGGL-VKZHRDFRSA-N 1 0 360.223 2.748 20 10 FFCDRO CC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000881848919 733119729 /nfs/dbraw/zinc/11/97/29/733119729.db2.gz FCQZORGDODYKJB-UHFFFAOYSA-N 1 0 357.479 2.633 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927134485 738695196 /nfs/dbraw/zinc/69/51/96/738695196.db2.gz IWJRHMMBUZHAFA-DOMZBBRYSA-N 1 0 354.248 2.663 20 10 FFCDRO Cc1ccsc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883208547 733350906 /nfs/dbraw/zinc/35/09/06/733350906.db2.gz JKUTXPNZSBINRN-UHFFFAOYSA-N 1 0 358.511 2.808 20 10 FFCDRO COc1cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000883296447 733361729 /nfs/dbraw/zinc/36/17/29/733361729.db2.gz NKQNOPRDHSYOOK-OAHLLOKOSA-N 1 0 355.500 2.755 20 10 FFCDRO CSC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000883658630 733419063 /nfs/dbraw/zinc/41/90/63/733419063.db2.gz JRKJAEVSIUNYQW-UHFFFAOYSA-N 1 0 362.543 2.523 20 10 FFCDRO CSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670166 734206382 /nfs/dbraw/zinc/20/63/82/734206382.db2.gz XWBUSTQSSDYDNI-INIZCTEOSA-N 1 0 364.559 2.721 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000890759886 734336662 /nfs/dbraw/zinc/33/66/62/734336662.db2.gz UJKLJSMUAOBPGO-AWEZNQCLSA-N 1 0 354.903 2.879 20 10 FFCDRO O=C(CC[NH2+]Cc1cc(Br)ccc1O)Nc1ccccn1 ZINC000725848807 734395813 /nfs/dbraw/zinc/39/58/13/734395813.db2.gz JLEMIWXEOOBVAO-UHFFFAOYSA-N 1 0 350.216 2.668 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)c2nccs2)[NH+](C)C)cc1 ZINC000891247193 734404023 /nfs/dbraw/zinc/40/40/23/734404023.db2.gz GVTSGKPXGJYTLU-CQSZACIVSA-N 1 0 368.453 2.720 20 10 FFCDRO COc1ccc(C[NH+]2CCC(OCCOC(C)C)CC2)c(O)c1OC ZINC000894773063 734914714 /nfs/dbraw/zinc/91/47/14/734914714.db2.gz OVPBBPYFAVAGTD-UHFFFAOYSA-N 1 0 353.459 2.815 20 10 FFCDRO Cc1ccc(F)c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000735084666 734928142 /nfs/dbraw/zinc/92/81/42/734928142.db2.gz OBMNMDVPTFGKGC-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000895150591 734969212 /nfs/dbraw/zinc/96/92/12/734969212.db2.gz BUOVHCFIIPVKQE-QZTJIDSGSA-N 1 0 352.450 2.697 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1F ZINC000896392579 735151889 /nfs/dbraw/zinc/15/18/89/735151889.db2.gz GUVKWNIDWBWHQN-ACJLOTCBSA-N 1 0 353.413 2.741 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c1 ZINC000896982044 735190531 /nfs/dbraw/zinc/19/05/31/735190531.db2.gz PEGZAKUBYIHZFP-IBGZPJMESA-N 1 0 350.459 2.552 20 10 FFCDRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000897173267 735200967 /nfs/dbraw/zinc/20/09/67/735200967.db2.gz NUJHDRYHFDEDHB-OAHLLOKOSA-N 1 0 370.287 2.908 20 10 FFCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000897521478 735242775 /nfs/dbraw/zinc/24/27/75/735242775.db2.gz GWVDTHQWKUAKOD-HNNXBMFYSA-N 1 0 351.365 2.983 20 10 FFCDRO O=C(NCCCSc1nccs1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900684119 735679873 /nfs/dbraw/zinc/67/98/73/735679873.db2.gz XGMQWFHHRDOFGZ-UHFFFAOYSA-N 1 0 369.556 2.633 20 10 FFCDRO CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127132 735747083 /nfs/dbraw/zinc/74/70/83/735747083.db2.gz INSFFNKKUNYEJQ-WQVCFCJDSA-N 1 0 354.878 2.533 20 10 FFCDRO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000751601994 735897928 /nfs/dbraw/zinc/89/79/28/735897928.db2.gz UXQDJHJEGAEAGT-MRXNPFEDSA-N 1 0 350.528 2.980 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(F)cn1 ZINC000752597057 736000667 /nfs/dbraw/zinc/00/06/67/736000667.db2.gz UAHSXGVYNIWOKP-OAHLLOKOSA-N 1 0 363.820 2.974 20 10 FFCDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1=O ZINC000903390046 736086169 /nfs/dbraw/zinc/08/61/69/736086169.db2.gz XXISSJLDFBHNQX-ZWNOBZJWSA-N 1 0 371.275 2.825 20 10 FFCDRO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)ccc1O ZINC000903419908 736090121 /nfs/dbraw/zinc/09/01/21/736090121.db2.gz JEIRVXBUNQAQFL-JTQLQIEISA-N 1 0 352.232 2.732 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(N(C)C)cc1 ZINC000903434190 736094140 /nfs/dbraw/zinc/09/41/40/736094140.db2.gz JVTFYFJQEWHHQH-TZMCWYRMSA-N 1 0 361.877 2.831 20 10 FFCDRO CCN(CC[NH2+]Cc1ccc(N2CCOCC2)cc1)CCC(F)(F)F ZINC000755219986 736242407 /nfs/dbraw/zinc/24/24/07/736242407.db2.gz NILJRKGNXNIRQO-UHFFFAOYSA-N 1 0 359.436 2.887 20 10 FFCDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756104053 736307417 /nfs/dbraw/zinc/30/74/17/736307417.db2.gz YVFLTWPXYLXHEX-GUYCJALGSA-N 1 0 357.420 2.582 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)c2c1c(F)ccc2O ZINC000756456699 736333200 /nfs/dbraw/zinc/33/32/00/736333200.db2.gz OBCSZXQJZOHKSQ-ZXYWRSMDSA-N 1 0 366.502 2.877 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756543696 736340750 /nfs/dbraw/zinc/34/07/50/736340750.db2.gz HTSJQWOTFWIUEO-NWDGAFQWSA-N 1 0 374.298 2.580 20 10 FFCDRO COC1CCN(CC[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000756641466 736349165 /nfs/dbraw/zinc/34/91/65/736349165.db2.gz IANZCGAREGBDJN-GFCCVEGCSA-N 1 0 357.292 2.916 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Br)ccc1O ZINC000756733114 736356666 /nfs/dbraw/zinc/35/66/66/736356666.db2.gz OQNLYBUUBUJVEX-XVMOGABASA-N 1 0 353.260 2.815 20 10 FFCDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000760890655 736677787 /nfs/dbraw/zinc/67/77/87/736677787.db2.gz XZFUOPFAKNNGPG-UCLAIMLFSA-N 1 0 352.450 2.507 20 10 FFCDRO C[C@@H]1CCC[N@H+](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761021561 736688773 /nfs/dbraw/zinc/68/87/73/736688773.db2.gz VQTPXBXDAZIKMF-CYBMUJFWSA-N 1 0 365.861 2.542 20 10 FFCDRO COc1cc(Cl)cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1O ZINC000761190632 736705208 /nfs/dbraw/zinc/70/52/08/736705208.db2.gz FLLXZMVQHRFEIR-INIZCTEOSA-N 1 0 354.878 2.741 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000761497853 736740882 /nfs/dbraw/zinc/74/08/82/736740882.db2.gz BUTGCAODKXLVEZ-HIFRSBDPSA-N 1 0 358.276 2.983 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764751504 737046052 /nfs/dbraw/zinc/04/60/52/737046052.db2.gz QNSMKQJPNUJNRX-HUUCEWRRSA-N 1 0 354.491 2.901 20 10 FFCDRO CC1CC[NH+](CCNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000764766353 737047541 /nfs/dbraw/zinc/04/75/41/737047541.db2.gz ZOIHITGXPYHELP-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977715 737179936 /nfs/dbraw/zinc/17/99/36/737179936.db2.gz IDAAIILCCYZZNF-MNZLEMJZSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977714 737179950 /nfs/dbraw/zinc/17/99/50/737179950.db2.gz IDAAIILCCYZZNF-HZPDHXFCSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978116 737179991 /nfs/dbraw/zinc/17/99/91/737179991.db2.gz LKXHZGIOTNXCHO-INIZCTEOSA-N 1 0 362.495 2.625 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000768437572 737422755 /nfs/dbraw/zinc/42/27/55/737422755.db2.gz ABNSSWYCIXGQLA-SFHVURJKSA-N 1 0 367.559 2.827 20 10 FFCDRO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911614 737476315 /nfs/dbraw/zinc/47/63/15/737476315.db2.gz GJTAHJOKYKSBSW-BBRMVZONSA-N 1 0 362.861 2.584 20 10 FFCDRO CCC1(CC)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000769558209 737542024 /nfs/dbraw/zinc/54/20/24/737542024.db2.gz UAZASGZXEURAGL-RUZDIDTESA-N 1 0 363.571 2.562 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CC(=O)OC)CCCOC2)cc1F ZINC000770676934 737651529 /nfs/dbraw/zinc/65/15/29/737651529.db2.gz RSGHLNXDQKVMGT-IBGZPJMESA-N 1 0 352.450 2.874 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCSC1 ZINC000771066176 737691541 /nfs/dbraw/zinc/69/15/41/737691541.db2.gz OWKAXOGDWBKHNG-WFASDCNBSA-N 1 0 354.903 2.879 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000917014325 737736471 /nfs/dbraw/zinc/73/64/71/737736471.db2.gz SJINVAFWRVQCGV-VQTJNVASSA-N 1 0 350.503 2.520 20 10 FFCDRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775369152 738087843 /nfs/dbraw/zinc/08/78/43/738087843.db2.gz LFECSSQFVIGSIF-CYBMUJFWSA-N 1 0 365.451 2.534 20 10 FFCDRO CC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775552915 738101257 /nfs/dbraw/zinc/10/12/57/738101257.db2.gz YYYIWEYFRPBFDK-GJZGRUSLSA-N 1 0 358.276 2.983 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980904 742226607 /nfs/dbraw/zinc/22/66/07/742226607.db2.gz FPYQQJSZWJUXBR-GXSJLCMTSA-N 1 0 363.683 2.837 20 10 FFCDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000817981608 742226630 /nfs/dbraw/zinc/22/66/30/742226630.db2.gz UAXNKTQMDQREJT-MLGOLLRUSA-N 1 0 359.848 2.824 20 10 FFCDRO CCOc1ccc(C[NH2+]CCc2ccccc2S(=O)(=O)CC)c(O)c1 ZINC000922688219 738186045 /nfs/dbraw/zinc/18/60/45/738186045.db2.gz DZPMCWYMKXSLLD-UHFFFAOYSA-N 1 0 363.479 2.917 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3nc4c(s3)COCC4)CC2)cc1 ZINC000922960539 738225128 /nfs/dbraw/zinc/22/51/28/738225128.db2.gz HMNAGJWCMUNFQR-UHFFFAOYSA-N 1 0 359.495 2.983 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000793072248 739737070 /nfs/dbraw/zinc/73/70/70/739737070.db2.gz DHBLCFPBNZEARS-AWEZNQCLSA-N 1 0 364.433 2.828 20 10 FFCDRO O=C(NCCCSc1nccs1)NC1CC([NH+]2CCCCC2)C1 ZINC000793102530 739739494 /nfs/dbraw/zinc/73/94/94/739739494.db2.gz IYFHOCRHZXEZGI-UHFFFAOYSA-N 1 0 354.545 2.941 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000793284793 739762112 /nfs/dbraw/zinc/76/21/12/739762112.db2.gz HDXOLNCBRCXVPD-GFCCVEGCSA-N 1 0 371.275 2.511 20 10 FFCDRO CCc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793567807 739794682 /nfs/dbraw/zinc/79/46/82/739794682.db2.gz MKXDJBDTTYDJBW-MRXNPFEDSA-N 1 0 368.543 2.718 20 10 FFCDRO Cc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000795658601 740049395 /nfs/dbraw/zinc/04/93/95/740049395.db2.gz PKQUSLFKDSURTL-MRXNPFEDSA-N 1 0 368.543 2.854 20 10 FFCDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000796526674 740149873 /nfs/dbraw/zinc/14/98/73/740149873.db2.gz PPFRPNLLPSEIOO-VWLOTQADSA-N 1 0 358.507 2.692 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000797116136 740213655 /nfs/dbraw/zinc/21/36/55/740213655.db2.gz FLBOISFNNHUXHH-HIFRSBDPSA-N 1 0 360.907 2.900 20 10 FFCDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc2c(cc1O)OCO2 ZINC000800851491 740556584 /nfs/dbraw/zinc/55/65/84/740556584.db2.gz CITADDDBJMKBQI-UHFFFAOYSA-N 1 0 362.451 2.629 20 10 FFCDRO CC(C)[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804870396 740912074 /nfs/dbraw/zinc/91/20/74/740912074.db2.gz AABULDFFWLKKQM-UHFFFAOYSA-N 1 0 370.291 2.827 20 10 FFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805181916 740947949 /nfs/dbraw/zinc/94/79/49/740947949.db2.gz QSVKKBFYYOFUAM-LBPRGKRZSA-N 1 0 370.291 2.828 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000806663384 741079345 /nfs/dbraw/zinc/07/93/45/741079345.db2.gz QHZQVMCVPVLTRH-SKDRFNHKSA-N 1 0 361.305 2.673 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000809707179 741334862 /nfs/dbraw/zinc/33/48/62/741334862.db2.gz RSZVPTCVSLUUEY-UHFFFAOYSA-N 1 0 370.921 2.913 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCn2cc(Br)cn2)cc1OC ZINC000809784123 741343333 /nfs/dbraw/zinc/34/33/33/741343333.db2.gz RAKCQMFVAIAJCL-UHFFFAOYSA-N 1 0 370.247 2.548 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000810262988 741402884 /nfs/dbraw/zinc/40/28/84/741402884.db2.gz JKRRSAMHMIGGNX-INIZCTEOSA-N 1 0 353.532 2.609 20 10 FFCDRO COCCC[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000816482587 742033050 /nfs/dbraw/zinc/03/30/50/742033050.db2.gz LNRJFBHONKOSLV-QGZVFWFLSA-N 1 0 363.479 2.571 20 10 FFCDRO O=C1COc2ccc(C[NH2+]Cc3cc(Br)ccc3O)cc2N1 ZINC000816609348 742047014 /nfs/dbraw/zinc/04/70/14/742047014.db2.gz YSAXLKKUTLOMEF-UHFFFAOYSA-N 1 0 363.211 2.775 20 10 FFCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000817369864 742131869 /nfs/dbraw/zinc/13/18/69/742131869.db2.gz IFMGVQZUEMSESJ-GFCCVEGCSA-N 1 0 363.255 2.876 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CC3(F)F)cc2F)CC1 ZINC000817431926 742142800 /nfs/dbraw/zinc/14/28/00/742142800.db2.gz GCJFMFIBGQFWSD-KRWDZBQOSA-N 1 0 355.404 2.629 20 10 FFCDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000818013004 742229803 /nfs/dbraw/zinc/22/98/03/742229803.db2.gz WOJNMEXNZQEJJR-QGZVFWFLSA-N 1 0 361.873 2.937 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818234185 742252485 /nfs/dbraw/zinc/25/24/85/742252485.db2.gz UVNMGAOHQFPVNX-KRWDZBQOSA-N 1 0 357.479 2.622 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)COc1ccccc1 ZINC000818964187 742316451 /nfs/dbraw/zinc/31/64/51/742316451.db2.gz NHKKLBKRTXXPMI-LJQANCHMSA-N 1 0 358.507 2.769 20 10 FFCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823846794 742989477 /nfs/dbraw/zinc/98/94/77/742989477.db2.gz ISNJLFHIELYLKE-AWEZNQCLSA-N 1 0 352.525 2.907 20 10 FFCDRO CCOc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)c(O)c1 ZINC000824544426 743102444 /nfs/dbraw/zinc/10/24/44/743102444.db2.gz XMLPGABSPLZSND-UHFFFAOYSA-N 1 0 367.243 2.505 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824606372 743115162 /nfs/dbraw/zinc/11/51/62/743115162.db2.gz QKUSJXAWPIINLZ-ZIAGYGMSSA-N 1 0 354.878 2.717 20 10 FFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824649859 743122629 /nfs/dbraw/zinc/12/26/29/743122629.db2.gz HTKNFCAYNZNCIP-ZDUSSCGKSA-N 1 0 355.276 2.893 20 10 FFCDRO Cc1cc(O)c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Cl ZINC000824726528 743136724 /nfs/dbraw/zinc/13/67/24/743136724.db2.gz VRBLDYREAGZFHK-QGZVFWFLSA-N 1 0 351.922 2.956 20 10 FFCDRO COc1cc(CN2CC[NH+](CCCCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000824781838 743148183 /nfs/dbraw/zinc/14/81/83/743148183.db2.gz ALTWPAJGIBMFFR-UHFFFAOYSA-N 1 0 350.503 2.588 20 10 FFCDRO COc1cccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825283368 743241061 /nfs/dbraw/zinc/24/10/61/743241061.db2.gz KOWQHLUDJCDUNH-INIZCTEOSA-N 1 0 352.228 2.987 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825291474 743242912 /nfs/dbraw/zinc/24/29/12/743242912.db2.gz LNUMZAUPQAEOJG-BXUZGUMPSA-N 1 0 355.276 2.891 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000825358248 743256012 /nfs/dbraw/zinc/25/60/12/743256012.db2.gz PLWQQHXERMENRP-HOTGVXAUSA-N 1 0 369.303 2.888 20 10 FFCDRO OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825391590 743261503 /nfs/dbraw/zinc/26/15/03/743261503.db2.gz YNRUUWCXFQJBGN-DOTOQJQBSA-N 1 0 366.255 2.729 20 10 FFCDRO O=C([C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1)N1CCCC1 ZINC000825939718 743345866 /nfs/dbraw/zinc/34/58/66/743345866.db2.gz GPWNOWZYMPZCAM-ZDUSSCGKSA-N 1 0 353.260 2.599 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000826043613 743361068 /nfs/dbraw/zinc/36/10/68/743361068.db2.gz MDVBZLYMAVVHKF-NWANDNLSSA-N 1 0 356.260 2.517 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000826076194 743365187 /nfs/dbraw/zinc/36/51/87/743365187.db2.gz PQWKZLBGBCPCCB-UHFFFAOYSA-N 1 0 358.511 2.920 20 10 FFCDRO CCC[C@H](OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095338 743505672 /nfs/dbraw/zinc/50/56/72/743505672.db2.gz DRKALASFCCZNIH-WBVHZDCISA-N 1 0 354.878 2.941 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000827133387 743516033 /nfs/dbraw/zinc/51/60/33/743516033.db2.gz UJIDWLZIUHHEFP-BBRMVZONSA-N 1 0 355.404 2.872 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827172421 743525261 /nfs/dbraw/zinc/52/52/61/743525261.db2.gz RSDHTQYAFGZCLN-MFKMUULPSA-N 1 0 362.289 2.518 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)CCCCC[NH3+])cc2F)C[C@H](C)O1 ZINC000827363990 743563604 /nfs/dbraw/zinc/56/36/04/743563604.db2.gz CEMZFGOWMNHGON-GJZGRUSLSA-N 1 0 351.466 2.575 20 10 FFCDRO Cc1cc([C@H]([NH3+])CC(=O)NCc2ccc(N(C)C)c(F)c2)cc(Cl)n1 ZINC000827901001 744998700 /nfs/dbraw/zinc/99/87/00/744998700.db2.gz IAMAUHLWVMIVKK-OAHLLOKOSA-N 1 0 364.852 2.955 20 10 FFCDRO [NH3+]CC1(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000828359456 745059121 /nfs/dbraw/zinc/05/91/21/745059121.db2.gz UVFSMEPINJUUHU-UHFFFAOYSA-N 1 0 353.413 2.502 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000832272305 745669781 /nfs/dbraw/zinc/66/97/81/745669781.db2.gz FBPHGETWGZSZEJ-MOPGFXCFSA-N 1 0 355.507 2.899 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000834316220 745817219 /nfs/dbraw/zinc/81/72/19/745817219.db2.gz DDCNLCGXCQYQNZ-FZKQIMNGSA-N 1 0 361.873 2.936 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000834839421 745911954 /nfs/dbraw/zinc/91/19/54/745911954.db2.gz AFQCZBUPQYBKSX-GFCCVEGCSA-N 1 0 351.244 2.976 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834878551 745917659 /nfs/dbraw/zinc/91/76/59/745917659.db2.gz KPLKBTDRNKBJQF-ZBFHGGJFSA-N 1 0 371.522 2.794 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000834878544 745917663 /nfs/dbraw/zinc/91/76/63/745917663.db2.gz KPLKBTDRNKBJQF-GOEBONIOSA-N 1 0 371.522 2.794 20 10 FFCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028933 745933321 /nfs/dbraw/zinc/93/33/21/745933321.db2.gz NWCLPUMLIQOWFM-APHBUQMISA-N 1 0 355.404 2.861 20 10 FFCDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028936 745933354 /nfs/dbraw/zinc/93/33/54/745933354.db2.gz NWCLPUMLIQOWFM-YIEVGGLXSA-N 1 0 355.404 2.861 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000835037457 745936309 /nfs/dbraw/zinc/93/63/09/745936309.db2.gz POSOZCOYRWEMOK-TWGQIWQCSA-N 1 0 358.507 2.970 20 10 FFCDRO C[N@H+](CCCCNC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000836686805 746284676 /nfs/dbraw/zinc/28/46/76/746284676.db2.gz JUXLHKHBLDZJOE-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Br)ccc1O ZINC000840883399 747211681 /nfs/dbraw/zinc/21/16/81/747211681.db2.gz MPAXNUODSKJFIB-ZDUSSCGKSA-N 1 0 362.289 2.773 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c(Cl)c1 ZINC000840895975 747217826 /nfs/dbraw/zinc/21/78/26/747217826.db2.gz CCNDEKUKOSMFEN-CYBMUJFWSA-N 1 0 359.857 2.821 20 10 FFCDRO CCN(C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1)S(C)(=O)=O ZINC000840916742 747224033 /nfs/dbraw/zinc/22/40/33/747224033.db2.gz CDEHXWQUPYTHIR-UHFFFAOYSA-N 1 0 360.907 2.600 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840942672 747236861 /nfs/dbraw/zinc/23/68/61/747236861.db2.gz SMQTYZGHJXSADR-UHFFFAOYSA-N 1 0 362.857 2.811 20 10 FFCDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CN1 ZINC000840955525 747242132 /nfs/dbraw/zinc/24/21/32/747242132.db2.gz SGXPTPGHAPVZMU-AWEZNQCLSA-N 1 0 366.303 2.665 20 10 FFCDRO CCOCc1cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)ccc1OC ZINC000840974643 747247865 /nfs/dbraw/zinc/24/78/65/747247865.db2.gz DJXRDXXTBPDHQO-UHFFFAOYSA-N 1 0 355.500 2.536 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000841798416 747463015 /nfs/dbraw/zinc/46/30/15/747463015.db2.gz IQYKHYHHLFBLJN-GOEBONIOSA-N 1 0 350.482 2.941 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)cs2)cc1 ZINC000841848966 747475605 /nfs/dbraw/zinc/47/56/05/747475605.db2.gz YHSKHKIXTDHVER-INIZCTEOSA-N 1 0 358.511 2.954 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000842680514 747658540 /nfs/dbraw/zinc/65/85/40/747658540.db2.gz SODLOMXRFCGAEK-UHFFFAOYSA-N 1 0 358.454 2.589 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000842785130 747687376 /nfs/dbraw/zinc/68/73/76/747687376.db2.gz PMQCKWJWEAPITE-AWEZNQCLSA-N 1 0 371.865 2.523 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842914502 747719612 /nfs/dbraw/zinc/71/96/12/747719612.db2.gz GTOZCNHEZGSSHY-BZNIZROVSA-N 1 0 358.276 2.983 20 10 FFCDRO CN(CC1CC[NH+](C)CC1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844203585 747987435 /nfs/dbraw/zinc/98/74/35/747987435.db2.gz GCDYEQBRMSBIQQ-UHFFFAOYSA-N 1 0 358.511 2.730 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844911587 748134428 /nfs/dbraw/zinc/13/44/28/748134428.db2.gz PGWNGRNZMQEVIB-IJEWVQPXSA-N 1 0 369.849 2.815 20 10 FFCDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845022085 748163436 /nfs/dbraw/zinc/16/34/36/748163436.db2.gz RDXIRDGJZAEKJQ-UHFFFAOYSA-N 1 0 369.893 2.734 20 10 FFCDRO Cc1cc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000845833777 748334506 /nfs/dbraw/zinc/33/45/06/748334506.db2.gz NUXQPAXRRWHETI-HNNXBMFYSA-N 1 0 363.845 2.665 20 10 FFCDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845935873 748356459 /nfs/dbraw/zinc/35/64/59/748356459.db2.gz GGTJCLXCTGQAPM-RBUKOAKNSA-N 1 0 350.528 2.980 20 10 FFCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000846208628 748431050 /nfs/dbraw/zinc/43/10/50/748431050.db2.gz JTXNABGTNOYLJS-HUUCEWRRSA-N 1 0 365.905 2.696 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000848394579 748918237 /nfs/dbraw/zinc/91/82/37/748918237.db2.gz RQMUSJIRFBSSFQ-OAHLLOKOSA-N 1 0 352.360 2.596 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1O ZINC000848533883 748952810 /nfs/dbraw/zinc/95/28/10/748952810.db2.gz WMXMQDZUIDCDRV-BDJLRTHQSA-N 1 0 374.275 2.603 20 10 FFCDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848534219 748952871 /nfs/dbraw/zinc/95/28/71/748952871.db2.gz PTRPYFPBCIXDEV-QWRGUYRKSA-N 1 0 362.264 2.865 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000848543110 748955018 /nfs/dbraw/zinc/95/50/18/748955018.db2.gz AEXMBYHDOQWLJL-BLBZPCKPSA-N 1 0 350.278 2.581 20 10 FFCDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000848559195 748960490 /nfs/dbraw/zinc/96/04/90/748960490.db2.gz BZENLWLQFNCXBY-KRWDZBQOSA-N 1 0 371.319 2.926 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000848572847 748963350 /nfs/dbraw/zinc/96/33/50/748963350.db2.gz WLQBKBXYNOCZSK-CABZTGNLSA-N 1 0 355.232 2.789 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CS1(=O)=O ZINC000850368897 749354106 /nfs/dbraw/zinc/35/41/06/749354106.db2.gz GIWURYBUPORKAL-DGCLKSJQSA-N 1 0 364.433 2.827 20 10 FFCDRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895745775 970910746 /nfs/dbraw/zinc/91/07/46/970910746.db2.gz BCPPRSPRMQPPEV-RTBURBONSA-N 1 0 357.450 2.991 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275838402 1013062228 /nfs/dbraw/zinc/06/22/28/1013062228.db2.gz WYTSNHMGDUBIAE-IBGZPJMESA-N 1 0 364.873 2.815 20 10 FFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cccc1Cl ZINC001275838431 1013062415 /nfs/dbraw/zinc/06/24/15/1013062415.db2.gz XQFGLWUMKAJMTL-HZPDHXFCSA-N 1 0 352.862 2.647 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000896201011 971336834 /nfs/dbraw/zinc/33/68/34/971336834.db2.gz XFNGMIJBUVMXEV-TZMCWYRMSA-N 1 0 366.458 2.754 20 10 FFCDRO COCC(C)(C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896287366 971398072 /nfs/dbraw/zinc/39/80/72/971398072.db2.gz MKQUTMZMFGMAJJ-GOSISDBHSA-N 1 0 364.534 2.717 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N(Cc3ccoc3)C3CC3)cc2)CC1 ZINC000896445531 971495094 /nfs/dbraw/zinc/49/50/94/971495094.db2.gz VSAIEHXJUGPHQD-UHFFFAOYSA-N 1 0 368.481 2.906 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000896573442 971593486 /nfs/dbraw/zinc/59/34/86/971593486.db2.gz USMCNNZPKVHSNL-FOIQADDNSA-N 1 0 372.488 2.597 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1 ZINC000123317238 971704804 /nfs/dbraw/zinc/70/48/04/971704804.db2.gz IMRPXZOFMXMNPB-ROUUACIJSA-N 1 0 367.493 2.879 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000124173670 972157835 /nfs/dbraw/zinc/15/78/35/972157835.db2.gz KRQANORJDNCBMB-UHFFFAOYSA-N 1 0 360.498 2.636 20 10 FFCDRO O=C1N(Cc2ncccn2)CC[C@@]12CCC[N@H+]2Cc1ccc(Cl)cc1O ZINC001275895531 1013154960 /nfs/dbraw/zinc/15/49/60/1013154960.db2.gz KYSBPKAIZCZMAD-IBGZPJMESA-N 1 0 372.856 2.603 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)cc1C ZINC000969307996 959298217 /nfs/dbraw/zinc/29/82/17/959298217.db2.gz AWOFULOYXZGVQG-QFUCXCTJSA-N 1 0 358.482 2.653 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@]3(C2)CN(CC(C)C)C(=O)CO3)ccc1N(C)C ZINC001275951968 1013220428 /nfs/dbraw/zinc/22/04/28/1013220428.db2.gz RJBVBOJEGVLEBP-NRFANRHFSA-N 1 0 359.514 2.520 20 10 FFCDRO COCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)C1=O ZINC001275952560 1013222361 /nfs/dbraw/zinc/22/23/61/1013222361.db2.gz YQXVCMGFRUJILG-OAQYLSRUSA-N 1 0 359.514 2.522 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2OCC[C@H]2C)cc1C ZINC000960138940 1013328096 /nfs/dbraw/zinc/32/80/96/1013328096.db2.gz JPLWFHXCNFNZGP-BPAFIMBUSA-N 1 0 360.498 2.899 20 10 FFCDRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cc1 ZINC000873010887 1013346141 /nfs/dbraw/zinc/34/61/41/1013346141.db2.gz OQFIJNZNEFGJIT-FQEVSTJZSA-N 1 0 367.449 2.772 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCc3cccc(O)c32)[NH+](C)C)cc1 ZINC000891246921 962575339 /nfs/dbraw/zinc/57/53/39/962575339.db2.gz FIOKJCSZSGRPHM-RTBURBONSA-N 1 0 367.493 2.907 20 10 FFCDRO Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891249722 962586197 /nfs/dbraw/zinc/58/61/97/962586197.db2.gz VYXSERWNMGMQMV-BNCSFYMNSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000891248747 962590097 /nfs/dbraw/zinc/59/00/97/962590097.db2.gz NQRJORLWLSNENP-HXUWFJFHSA-N 1 0 355.482 2.810 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(N(C)C)n2)cc1Cn1cccn1 ZINC000873098271 1013384694 /nfs/dbraw/zinc/38/46/94/1013384694.db2.gz MMYVUSYNAHDZLZ-UHFFFAOYSA-N 1 0 351.454 2.691 20 10 FFCDRO CCOC(=O)Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167434101 963175643 /nfs/dbraw/zinc/17/56/43/963175643.db2.gz BPDZLLGZTHMYCV-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO O=C([C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1)N1CCOCC1 ZINC000124439006 1013415360 /nfs/dbraw/zinc/41/53/60/1013415360.db2.gz DPUXVFAXMWHQQV-FQEVSTJZSA-N 1 0 371.525 2.748 20 10 FFCDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894298092 964323602 /nfs/dbraw/zinc/32/36/02/964323602.db2.gz GFDBVUXRZWSRIW-YOEHRIQHSA-N 1 0 373.449 2.919 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(O)c1OC ZINC000891532486 964438246 /nfs/dbraw/zinc/43/82/46/964438246.db2.gz YQGKAVLYPYZTMH-HNNXBMFYSA-N 1 0 368.437 2.832 20 10 FFCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891782192 965073867 /nfs/dbraw/zinc/07/38/67/965073867.db2.gz OQTHTLAKHMYDSM-ZBFHGGJFSA-N 1 0 364.486 2.926 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000891805634 965122205 /nfs/dbraw/zinc/12/22/05/965122205.db2.gz NQMVBXMCTIDXIV-UHFFFAOYSA-N 1 0 374.872 2.904 20 10 FFCDRO COc1ccc(N(CC(=O)NC2CC[NH+](C3CC3)CC2)CC(C)C)cc1 ZINC000729475633 965925272 /nfs/dbraw/zinc/92/52/72/965925272.db2.gz SSFFSBINRMGTRA-UHFFFAOYSA-N 1 0 359.514 2.901 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cnc[nH]2)cc1C ZINC001087219835 966757681 /nfs/dbraw/zinc/75/76/81/966757681.db2.gz QNXVWLAMBRZRHW-BEFAXECRSA-N 1 0 370.497 2.686 20 10 FFCDRO COc1ccc(CNc2ccccc2N2CC[NH+](C)CC2)c(O)c1OC ZINC000892300663 966958779 /nfs/dbraw/zinc/95/87/79/966958779.db2.gz PRBKXLMTQLOAFP-UHFFFAOYSA-N 1 0 357.454 2.773 20 10 FFCDRO CCOc1ccc(O)c(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)c1 ZINC000894927696 967107541 /nfs/dbraw/zinc/10/75/41/967107541.db2.gz XIOCAUNXPRIEEB-UHFFFAOYSA-N 1 0 371.437 2.587 20 10 FFCDRO Cc1ccnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000895052962 967249993 /nfs/dbraw/zinc/24/99/93/967249993.db2.gz VDSQTBOTXFFXQF-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COC(=O)COc1ccccc1CNc1cc(C[NH+](C)C)ccc1OC ZINC000892339697 967535740 /nfs/dbraw/zinc/53/57/40/967535740.db2.gz ITTNTGOHORMXEQ-UHFFFAOYSA-N 1 0 358.438 2.921 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000052465266 967613246 /nfs/dbraw/zinc/61/32/46/967613246.db2.gz LIOAAAHBOMVYHQ-QZTJIDSGSA-N 1 0 359.514 2.712 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000162126975 967988400 /nfs/dbraw/zinc/98/84/00/967988400.db2.gz GPRRCUZJCXZLSO-INIZCTEOSA-N 1 0 354.454 2.958 20 10 FFCDRO CCn1cc([C@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000895249158 968752531 /nfs/dbraw/zinc/75/25/31/968752531.db2.gz PMFPLCQSQNGMIB-KXBFYZLASA-N 1 0 372.517 2.632 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000177869792 969366729 /nfs/dbraw/zinc/36/67/29/969366729.db2.gz RGYZHCHSBPDYDL-KRWDZBQOSA-N 1 0 374.529 2.647 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1O ZINC000725852613 969478487 /nfs/dbraw/zinc/47/84/87/969478487.db2.gz HBGRSXUHVRMIMR-HNNXBMFYSA-N 1 0 356.422 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(O)c(OC)c3[N+](=O)[O-])C2)cc1 ZINC000895310332 970300173 /nfs/dbraw/zinc/30/01/73/970300173.db2.gz NGMGGENWMQRBRS-CQSZACIVSA-N 1 0 373.409 2.686 20 10 FFCDRO C[NH+]1CCC(CNC(=O)NCc2ccccc2O)(c2ccccc2)CC1 ZINC000875183784 1013987374 /nfs/dbraw/zinc/98/73/74/1013987374.db2.gz ILFLMIIMRJGGDT-UHFFFAOYSA-N 1 0 353.466 2.855 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC001141804198 970592880 /nfs/dbraw/zinc/59/28/80/970592880.db2.gz UWFWVNABKVUWNX-SFHVURJKSA-N 1 0 361.555 2.978 20 10 FFCDRO COC(=O)c1cccc2c1OCCN(Cc1ccc(OC)c(OC)c1O)C2 ZINC000896966385 973104312 /nfs/dbraw/zinc/10/43/12/973104312.db2.gz VXRXOAHLCWKBAY-UHFFFAOYSA-N 1 0 373.405 2.591 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CC(c3nc(-c4ccccc4)no3)C1)OCO2 ZINC000897319982 974228948 /nfs/dbraw/zinc/22/89/48/974228948.db2.gz GKYMZPHXRPKTLB-UHFFFAOYSA-N 1 0 351.362 2.770 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1 ZINC000796551091 1014278855 /nfs/dbraw/zinc/27/88/55/1014278855.db2.gz SKZAHTLZFYXTTG-IEBWSBKVSA-N 1 0 361.486 2.622 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000876506828 1014288040 /nfs/dbraw/zinc/28/80/40/1014288040.db2.gz OVTKVHSJPMFCBJ-IBGZPJMESA-N 1 0 352.482 2.776 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC4(CCC4)O3)cc2)CC1 ZINC000893608237 975914025 /nfs/dbraw/zinc/91/40/25/975914025.db2.gz UALRZNHJNRYEPN-IBGZPJMESA-N 1 0 357.498 2.546 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)c2cncn2C)c(C)n1-c1cccc(Cl)c1 ZINC000898887548 976748731 /nfs/dbraw/zinc/74/87/31/976748731.db2.gz CPKJYHUZRNTBIR-QGZVFWFLSA-N 1 0 372.856 2.944 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)[NH+](C)C)cc1 ZINC000899101363 976910655 /nfs/dbraw/zinc/91/06/55/976910655.db2.gz JQPZVLDEMXKIBU-IBGZPJMESA-N 1 0 370.497 2.903 20 10 FFCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876742151 1014373014 /nfs/dbraw/zinc/37/30/14/1014373014.db2.gz RGKLIANRDAVMRB-CVEARBPZSA-N 1 0 367.440 2.746 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771168 1014385449 /nfs/dbraw/zinc/38/54/49/1014385449.db2.gz NTDMXMOORKKDOK-KRWDZBQOSA-N 1 0 360.498 2.811 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876873709 1014407731 /nfs/dbraw/zinc/40/77/31/1014407731.db2.gz ONGFLSBULIUFAW-LJQANCHMSA-N 1 0 369.513 2.844 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000796582322 1014413427 /nfs/dbraw/zinc/41/34/27/1014413427.db2.gz WCTGFGSMXKHFOX-OAQYLSRUSA-N 1 0 371.456 2.922 20 10 FFCDRO CN(C)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876955948 1014432717 /nfs/dbraw/zinc/43/27/17/1014432717.db2.gz FLHIRSFCEVFBOH-OAQYLSRUSA-N 1 0 367.537 2.910 20 10 FFCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1c1ccccc1 ZINC000876988338 1014441012 /nfs/dbraw/zinc/44/10/12/1014441012.db2.gz ZBJWFKZYXZFECF-SFHVURJKSA-N 1 0 365.477 2.543 20 10 FFCDRO CO[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000877072187 1014468195 /nfs/dbraw/zinc/46/81/95/1014468195.db2.gz XZEXWVSGJHIERE-HDMKZQKVSA-N 1 0 370.440 2.898 20 10 FFCDRO COCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001276366708 1014521898 /nfs/dbraw/zinc/52/18/98/1014521898.db2.gz AHOJHYMPDITVOS-WOJBJXKFSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001076619874 979715673 /nfs/dbraw/zinc/71/56/73/979715673.db2.gz ZHAHZRDNBMRKME-DOTOQJQBSA-N 1 0 355.442 2.962 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C)cc3O)C2=O)c(OC)c1 ZINC000877524531 1014611361 /nfs/dbraw/zinc/61/13/61/1014611361.db2.gz ZIUKFDSWWKRNLT-SFHVURJKSA-N 1 0 370.449 2.609 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000906511432 980674146 /nfs/dbraw/zinc/67/41/46/980674146.db2.gz KJBBAVDYEIIUIM-KRWDZBQOSA-N 1 0 359.514 2.902 20 10 FFCDRO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001272047861 980699829 /nfs/dbraw/zinc/69/98/29/980699829.db2.gz CSXMLWBYMASTHB-CWRNSKLLSA-N 1 0 362.470 2.919 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1 ZINC000877688045 1014681584 /nfs/dbraw/zinc/68/15/84/1014681584.db2.gz PFVGCUAIRRRFJJ-HKUYNNGSSA-N 1 0 369.465 2.795 20 10 FFCDRO Oc1cccc2c1C[N@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC000877702973 1014689981 /nfs/dbraw/zinc/68/99/81/1014689981.db2.gz MTKLOOSJPXHGRN-UHFFFAOYSA-N 1 0 354.450 2.619 20 10 FFCDRO Cn1cc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2cccnc21 ZINC000877733751 1014702553 /nfs/dbraw/zinc/70/25/53/1014702553.db2.gz ANCFVHOLAMHRRO-UHFFFAOYSA-N 1 0 364.493 2.867 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCO1 ZINC000907191877 981212366 /nfs/dbraw/zinc/21/23/66/981212366.db2.gz CRGHXTDKCNZDKA-UWJYYQICSA-N 1 0 371.525 2.650 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCO1 ZINC000907191876 981212471 /nfs/dbraw/zinc/21/24/71/981212471.db2.gz CRGHXTDKCNZDKA-UTKZUKDTSA-N 1 0 371.525 2.650 20 10 FFCDRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877756614 1014715995 /nfs/dbraw/zinc/71/59/95/1014715995.db2.gz YBVQLEWFFXNRCK-LSDHHAIUSA-N 1 0 362.470 2.623 20 10 FFCDRO COc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000877906946 1014760214 /nfs/dbraw/zinc/76/02/14/1014760214.db2.gz ZHIIKQJKPFQXBR-UHFFFAOYSA-N 1 0 354.454 2.769 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)cc1 ZINC000911277830 982186571 /nfs/dbraw/zinc/18/65/71/982186571.db2.gz XJZURJSXNACOHJ-YVWKXTFCSA-N 1 0 357.498 2.655 20 10 FFCDRO CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126925910 1014887526 /nfs/dbraw/zinc/88/75/26/1014887526.db2.gz DBLYRKIWLLGBON-BJMVGYQFSA-N 1 0 354.454 2.571 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000911667233 983864131 /nfs/dbraw/zinc/86/41/31/983864131.db2.gz OZUOMOCDJYRQSI-BZUAXINKSA-N 1 0 373.419 2.759 20 10 FFCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(O)c1O ZINC000185891279 984056048 /nfs/dbraw/zinc/05/60/48/984056048.db2.gz SCWVPCFNCMEEFC-MRXNPFEDSA-N 1 0 370.449 2.930 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000057647356 984512125 /nfs/dbraw/zinc/51/21/25/984512125.db2.gz QEOPGPPIIBPINH-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCOCC1 ZINC000765255590 985010491 /nfs/dbraw/zinc/01/04/91/985010491.db2.gz RBDZIDKLXMELHH-UYAOXDASSA-N 1 0 359.514 2.683 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCSC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000765278752 985013410 /nfs/dbraw/zinc/01/34/10/985013410.db2.gz BFLSVZPTWGXMEQ-INIZCTEOSA-N 1 0 373.501 2.537 20 10 FFCDRO Fc1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)ccc1N1CCOCC1 ZINC000765265384 985015142 /nfs/dbraw/zinc/01/51/42/985015142.db2.gz HJOWOGFNNFMCLJ-QGZVFWFLSA-N 1 0 372.440 2.982 20 10 FFCDRO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765327787 985034706 /nfs/dbraw/zinc/03/47/06/985034706.db2.gz DSASNBFCCFGVRK-KRWDZBQOSA-N 1 0 367.497 2.633 20 10 FFCDRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000765320875 985037226 /nfs/dbraw/zinc/03/72/26/985037226.db2.gz AFHTZXATUUMURL-YJBOKZPZSA-N 1 0 374.481 2.860 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765733837 985403873 /nfs/dbraw/zinc/40/38/73/985403873.db2.gz ZYOSSLQQXYYGOY-XMSQKQJNSA-N 1 0 370.493 2.752 20 10 FFCDRO Cc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000914878498 988025244 /nfs/dbraw/zinc/02/52/44/988025244.db2.gz JUTUJFNJMLERHF-UHFFFAOYSA-N 1 0 368.525 2.722 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000762795832 988633528 /nfs/dbraw/zinc/63/35/28/988633528.db2.gz ZDBRQTADAMGDAQ-GOSISDBHSA-N 1 0 371.485 2.748 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)cc1Cn1cccn1 ZINC000922751501 988870687 /nfs/dbraw/zinc/87/06/87/988870687.db2.gz RMBOMYXIDRLMPD-QGZVFWFLSA-N 1 0 370.419 2.912 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(OCC(=O)NC)c2)cc1 ZINC000916838189 989995862 /nfs/dbraw/zinc/99/58/62/989995862.db2.gz OUGDWUGXDZWDHZ-UHFFFAOYSA-N 1 0 355.482 2.947 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000702601503 990009531 /nfs/dbraw/zinc/00/95/31/990009531.db2.gz IJKIOSMKGPUZJN-OAQYLSRUSA-N 1 0 356.466 2.518 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000917016784 990093583 /nfs/dbraw/zinc/09/35/83/990093583.db2.gz DGBRWSIMWKJHLO-GOSISDBHSA-N 1 0 374.456 2.786 20 10 FFCDRO C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000918120764 990339200 /nfs/dbraw/zinc/33/92/00/990339200.db2.gz KZTGHETYMKDTMD-GOSISDBHSA-N 1 0 374.529 2.539 20 10 FFCDRO Cc1ccnc(C)c1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879526158 1015576793 /nfs/dbraw/zinc/57/67/93/1015576793.db2.gz VRRBXQNOXPFKRN-UHFFFAOYSA-N 1 0 353.470 2.772 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)[C@H](C)c1ccccc1)cc2=O ZINC000181533858 991796933 /nfs/dbraw/zinc/79/69/33/991796933.db2.gz OMMNYXGZSLQBQV-KBPBESRZSA-N 1 0 368.437 2.893 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000182254881 991990062 /nfs/dbraw/zinc/99/00/62/991990062.db2.gz HNKVRBTWEBBNGL-OAHLLOKOSA-N 1 0 369.465 2.791 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001272706817 992480544 /nfs/dbraw/zinc/48/05/44/992480544.db2.gz QKGDBHNBLMOIOG-OKILXGFUSA-N 1 0 372.387 2.658 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000184268426 992714569 /nfs/dbraw/zinc/71/45/69/992714569.db2.gz GFYANTMHXYINTP-UHFFFAOYSA-N 1 0 367.449 2.852 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2ccc(N(C)C)cc2)N2CCOCC2)cc1 ZINC000072670176 993260862 /nfs/dbraw/zinc/26/08/62/993260862.db2.gz BADCQFXHFHNZSV-QFIPXVFZSA-N 1 0 369.509 2.924 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O ZINC000185347533 993291860 /nfs/dbraw/zinc/29/18/60/993291860.db2.gz ZQVQNSFFSCNRJI-CQSZACIVSA-N 1 0 367.465 2.735 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H](C)[C@H]1C[NH2+]CCO1)N=[N+]=[N-] ZINC001170563409 994316279 /nfs/dbraw/zinc/31/62/79/994316279.db2.gz LWCWQTGMCYXKDP-ORUOVYNKSA-N 1 0 374.445 2.702 20 10 FFCDRO COc1cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc(OC)c1O ZINC000809639172 994563703 /nfs/dbraw/zinc/56/37/03/994563703.db2.gz IVLYEMGAMBJUAS-UHFFFAOYSA-N 1 0 360.454 2.986 20 10 FFCDRO CC[N@H+](CCc1ccccn1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000747668232 994998379 /nfs/dbraw/zinc/99/83/79/994998379.db2.gz BYSWCGKIOCHVLI-UHFFFAOYSA-N 1 0 354.498 2.671 20 10 FFCDRO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000811510893 995172817 /nfs/dbraw/zinc/17/28/17/995172817.db2.gz RFJMSOWPFMDVMM-HXUWFJFHSA-N 1 0 373.497 2.766 20 10 FFCDRO CCSc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001133123664 995332672 /nfs/dbraw/zinc/33/26/72/995332672.db2.gz VNAZMQMLENFNDY-UHFFFAOYSA-N 1 0 370.522 2.875 20 10 FFCDRO CCc1nocc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082726166 995364359 /nfs/dbraw/zinc/36/43/59/995364359.db2.gz PNVSPLQDDRMEOQ-RDTXWAMCSA-N 1 0 357.454 2.804 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)[C@@H](C)COC)cc2F)CC1 ZINC000812501581 995447972 /nfs/dbraw/zinc/44/79/72/995447972.db2.gz DJOBFNDPJHLJFC-HOTGVXAUSA-N 1 0 365.493 2.502 20 10 FFCDRO CC[N@H+](C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)CC(C)(C)C ZINC000812892177 995571922 /nfs/dbraw/zinc/57/19/22/995571922.db2.gz DJYZMMFJCHRCAK-IBGZPJMESA-N 1 0 363.546 2.546 20 10 FFCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000128729753 1016061181 /nfs/dbraw/zinc/06/11/81/1016061181.db2.gz SKXVQZTUEVKYJF-NRFANRHFSA-N 1 0 356.466 2.745 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C)cc2F)CC1 ZINC000730126738 996857942 /nfs/dbraw/zinc/85/79/42/996857942.db2.gz RWDQYGUVWZHFCO-CRAIPNDOSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c(C(C)(C)C)c1 ZINC000824529548 996974003 /nfs/dbraw/zinc/97/40/03/996974003.db2.gz MOUFLUNVZJYXKT-KRWDZBQOSA-N 1 0 362.514 2.995 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC(C)(C)C(N)=O)C3)cc2)CC1 ZINC000824608519 997010611 /nfs/dbraw/zinc/01/06/11/997010611.db2.gz IAFLCYMYGLOCCL-IBGZPJMESA-N 1 0 372.557 2.552 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CCC[NH+]3CCCC3)C2)cc1 ZINC000824686223 997051664 /nfs/dbraw/zinc/05/16/64/997051664.db2.gz KRTFALAIIVBPTG-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO c1cc([C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CCO2)ccn1 ZINC000824948554 997155521 /nfs/dbraw/zinc/15/55/21/997155521.db2.gz RFLCNETYSWMUNO-CTNGQTDRSA-N 1 0 353.466 2.928 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825109978 997214813 /nfs/dbraw/zinc/21/48/13/997214813.db2.gz BTTSLUWNKBIRCE-QWHCGFSZSA-N 1 0 354.406 2.577 20 10 FFCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000844172351 997693281 /nfs/dbraw/zinc/69/32/81/997693281.db2.gz GNOXQNQYKQTQEX-GASCZTMLSA-N 1 0 365.493 2.821 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(Cl)cc1 ZINC000732149320 998508566 /nfs/dbraw/zinc/50/85/66/998508566.db2.gz HLGZENYCZYFYRV-SFHVURJKSA-N 1 0 374.916 2.723 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C ZINC000733330554 998964583 /nfs/dbraw/zinc/96/45/83/998964583.db2.gz BMCLOLYNLDPZEI-UHFFFAOYSA-N 1 0 374.506 2.528 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000734281514 999254964 /nfs/dbraw/zinc/25/49/64/999254964.db2.gz ABIDSBGMTCLQLN-FQEVSTJZSA-N 1 0 374.529 2.537 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C(C)(C)C)CC1)cc2=O ZINC000734835972 999345985 /nfs/dbraw/zinc/34/59/85/999345985.db2.gz RYPWLDDQQGXTEB-UHFFFAOYSA-N 1 0 360.458 2.870 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000734846327 999347911 /nfs/dbraw/zinc/34/79/11/999347911.db2.gz QZEYGNASKBIFAB-JOCHJYFZSA-N 1 0 353.510 2.869 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCCC3CC3)CC2)cc1 ZINC000736405209 999553766 /nfs/dbraw/zinc/55/37/66/999553766.db2.gz DQGCXUWZRVMZDX-UHFFFAOYSA-N 1 0 374.529 2.697 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3Cc4ccccc43)cc2F)CC1 ZINC000741926082 999748611 /nfs/dbraw/zinc/74/86/11/999748611.db2.gz CJQMBAKKEZBYOY-LJQANCHMSA-N 1 0 367.468 2.924 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000744385143 999854908 /nfs/dbraw/zinc/85/49/08/999854908.db2.gz VAUBWDVUOYRCKT-LJQANCHMSA-N 1 0 369.513 2.894 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@](C)(CO)C2CC2)C1 ZINC000768057179 1000174478 /nfs/dbraw/zinc/17/44/78/1000174478.db2.gz WUCFSDFJLKNKAT-QFIPXVFZSA-N 1 0 369.509 2.685 20 10 FFCDRO CC(C)NC(=O)CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768199855 1000190664 /nfs/dbraw/zinc/19/06/64/1000190664.db2.gz KJRVZOMAWZPTJZ-UHFFFAOYSA-N 1 0 367.493 2.701 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000846164930 1000213999 /nfs/dbraw/zinc/21/39/99/1000213999.db2.gz LXEPWXJZIAIOHC-ZDUSSCGKSA-N 1 0 361.417 2.622 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000846217385 1000232438 /nfs/dbraw/zinc/23/24/38/1000232438.db2.gz FZGVAUSMRHBXBT-UHFFFAOYSA-N 1 0 371.506 2.539 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)[C@H](O)CO2 ZINC000768440706 1000248731 /nfs/dbraw/zinc/24/87/31/1000248731.db2.gz UHPJFWAXWWRYHR-YLJYHZDGSA-N 1 0 355.434 2.999 20 10 FFCDRO COc1ccc(OC)c(C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)c1 ZINC000768439939 1000249151 /nfs/dbraw/zinc/24/91/51/1000249151.db2.gz ASBVQCWKVCRLSJ-LJQANCHMSA-N 1 0 371.433 3.000 20 10 FFCDRO CCc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cc1 ZINC000768465762 1000263523 /nfs/dbraw/zinc/26/35/23/1000263523.db2.gz KRPBHSOLSSSMGE-HXUWFJFHSA-N 1 0 354.450 2.703 20 10 FFCDRO CCOc1cc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)ncn1 ZINC000768493871 1000276623 /nfs/dbraw/zinc/27/66/23/1000276623.db2.gz MTIGODWBQVHDPF-UHFFFAOYSA-N 1 0 371.485 2.508 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000768913612 1000384305 /nfs/dbraw/zinc/38/43/05/1000384305.db2.gz MEGVXIOWJFWCBU-AERCQKQUSA-N 1 0 353.510 2.881 20 10 FFCDRO Cc1ncc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000768916056 1000385819 /nfs/dbraw/zinc/38/58/19/1000385819.db2.gz QIGRDEJLHGOKSO-UHFFFAOYSA-N 1 0 370.522 2.914 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000846662904 1000403247 /nfs/dbraw/zinc/40/32/47/1000403247.db2.gz BDMZSWYTSNVMLS-IBGZPJMESA-N 1 0 350.466 2.603 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(N2CCOCC2)cc1 ZINC000769215966 1000467730 /nfs/dbraw/zinc/46/77/30/1000467730.db2.gz CDGIMHDIILLODQ-HNNXBMFYSA-N 1 0 367.453 2.763 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3O)CC2)c1 ZINC000769363509 1000500994 /nfs/dbraw/zinc/50/09/94/1000500994.db2.gz RZKBRJTUWNBEJK-UHFFFAOYSA-N 1 0 353.466 2.529 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769696588 1000578948 /nfs/dbraw/zinc/57/89/48/1000578948.db2.gz MVBNZXCOGVORBX-UHFFFAOYSA-N 1 0 361.486 2.574 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC000787205661 1001675386 /nfs/dbraw/zinc/67/53/86/1001675386.db2.gz DPVMJNHVDGMQBS-MNZLEMJZSA-N 1 0 360.477 2.565 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C)n1-c1ccccc1C ZINC000774274586 1001829937 /nfs/dbraw/zinc/82/99/37/1001829937.db2.gz LDCTVNIWUJYCNX-LJQANCHMSA-N 1 0 366.509 2.522 20 10 FFCDRO COc1cc(C)c(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c(O)c1 ZINC001183095853 1002161716 /nfs/dbraw/zinc/16/17/16/1002161716.db2.gz WFMYNQBHPFNNHJ-UHFFFAOYSA-N 1 0 355.438 2.919 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000103507937 1003063232 /nfs/dbraw/zinc/06/32/32/1003063232.db2.gz BOXONYJUPBOPJG-OAHLLOKOSA-N 1 0 369.465 2.819 20 10 FFCDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c(O)c1 ZINC000793387297 1003359653 /nfs/dbraw/zinc/35/96/53/1003359653.db2.gz CBARBWLTEPPRST-UHFFFAOYSA-N 1 0 367.405 2.852 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000793388178 1003359716 /nfs/dbraw/zinc/35/97/16/1003359716.db2.gz OCGVUXTVODQPSD-LBPRGKRZSA-N 1 0 359.382 2.816 20 10 FFCDRO COc1c([O-])c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000775068268 1003516825 /nfs/dbraw/zinc/51/68/25/1003516825.db2.gz KCMIDBXQTLWYHH-CYBMUJFWSA-N 1 0 366.414 2.863 20 10 FFCDRO COc1c([O-])c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000775068270 1003516854 /nfs/dbraw/zinc/51/68/54/1003516854.db2.gz KCMIDBXQTLWYHH-ZDUSSCGKSA-N 1 0 366.414 2.863 20 10 FFCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(CC(F)(F)F)C1 ZINC001196528010 1003809481 /nfs/dbraw/zinc/80/94/81/1003809481.db2.gz ZEBUGQWEEPVPRC-SFHVURJKSA-N 1 0 371.447 2.982 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC001197285118 1004164534 /nfs/dbraw/zinc/16/45/34/1004164534.db2.gz NNGZJSFLVHZOTK-HXUWFJFHSA-N 1 0 373.541 2.898 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)on3)C2)cc1C ZINC001086640006 1004234689 /nfs/dbraw/zinc/23/46/89/1004234689.db2.gz SELJJKGMJKDGTQ-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775836045 1004564405 /nfs/dbraw/zinc/56/44/05/1004564405.db2.gz XUBFRWBIOGVHCO-MRXNPFEDSA-N 1 0 355.482 2.866 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cccc(I)c2[O-])CC[C@H]1C[NH3+] ZINC001205651461 1004637211 /nfs/dbraw/zinc/63/72/11/1004637211.db2.gz FLNPOUKSSJBKHF-NEPJUHHUSA-N 1 0 374.266 2.804 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCOC3)C2)cc1C ZINC001086657355 1004729975 /nfs/dbraw/zinc/72/99/75/1004729975.db2.gz MYCSPBCMSNXIOZ-GBESFXJTSA-N 1 0 360.498 2.805 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)n1-c1ccccc1C ZINC000808161431 1004766262 /nfs/dbraw/zinc/76/62/62/1004766262.db2.gz YHVFGKVUBPCRFQ-OALUTQOASA-N 1 0 367.493 2.684 20 10 FFCDRO N=C(N)N(CCCC[NH3+])C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278545 1004929757 /nfs/dbraw/zinc/92/97/57/1004929757.db2.gz HYOIVXGJZBICAM-GHVJWSGMSA-N 1 0 354.414 2.882 20 10 FFCDRO C[NH+]1CCC(CO)(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)CC1 ZINC001195279672 1004930446 /nfs/dbraw/zinc/93/04/46/1004930446.db2.gz RAOIQMLLBVIFIG-GHVJWSGMSA-N 1 0 368.437 2.994 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(Cc3ccc(F)cc3)CC1)OCO2 ZINC000775996737 1004989174 /nfs/dbraw/zinc/98/91/74/1004989174.db2.gz MKTBIIRLXLIJIY-UHFFFAOYSA-N 1 0 359.397 2.830 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn(C)c2)NC(=O)OC(C)(C)C)cc1 ZINC001201750237 1005261045 /nfs/dbraw/zinc/26/10/45/1005261045.db2.gz IGVHPWMGLNVFMT-GOSISDBHSA-N 1 0 373.501 2.842 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](C)C3)cc2F)CC1 ZINC000106584734 1005343301 /nfs/dbraw/zinc/34/33/01/1005343301.db2.gz YXIRKHZNERMDEA-INIZCTEOSA-N 1 0 362.493 2.909 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNCc3nccn3C(C)C)CC2)cc1 ZINC000850013557 1005777682 /nfs/dbraw/zinc/77/76/82/1005777682.db2.gz HWVKOWWARSODHL-UHFFFAOYSA-N 1 0 371.529 2.775 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3Cc4ccccc4N(C)C3=O)CC2)cc1 ZINC000850353039 1005810248 /nfs/dbraw/zinc/81/02/48/1005810248.db2.gz QOSQKIZUPWDWQM-HXUWFJFHSA-N 1 0 365.477 2.841 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cccnc2N2CCCC2)ccc1N1CCOCC1 ZINC000850353086 1005810418 /nfs/dbraw/zinc/81/04/18/1005810418.db2.gz SBQJWEHEEFITHA-UHFFFAOYSA-N 1 0 370.472 2.947 20 10 FFCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000850384490 1005812366 /nfs/dbraw/zinc/81/23/66/1005812366.db2.gz MGIAOBKFLPEFJU-QUCCMNQESA-N 1 0 372.488 2.897 20 10 FFCDRO Cc1cccn2c(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cnc12 ZINC000850405966 1005813644 /nfs/dbraw/zinc/81/36/44/1005813644.db2.gz MANZWQAGEPLHJI-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO COCCOc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405935 1005813777 /nfs/dbraw/zinc/81/37/77/1005813777.db2.gz LARBZGHRQIFKPS-UHFFFAOYSA-N 1 0 370.493 2.963 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cnnn4)cc3)C2)cc1 ZINC000850488388 1005818249 /nfs/dbraw/zinc/81/82/49/1005818249.db2.gz MOGHCTDHUGVWPK-DOTOQJQBSA-N 1 0 364.453 2.600 20 10 FFCDRO CC[C@@H]([NH2+]C[C@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O ZINC000850553733 1005822062 /nfs/dbraw/zinc/82/20/62/1005822062.db2.gz BYORWVOOVULQDZ-IRLDBZIGSA-N 1 0 370.493 2.696 20 10 FFCDRO CCC[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1O ZINC000110078184 1005894938 /nfs/dbraw/zinc/89/49/38/1005894938.db2.gz UFXHOOJSNWPGRT-KRWDZBQOSA-N 1 0 370.449 2.560 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000851673827 1005905580 /nfs/dbraw/zinc/90/55/80/1005905580.db2.gz SBWHQPNSIBRBMM-QZTJIDSGSA-N 1 0 357.429 2.818 20 10 FFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)cc1 ZINC000851733414 1005909587 /nfs/dbraw/zinc/90/95/87/1005909587.db2.gz UTEXOZZWVSFZKG-PWIZWCRZSA-N 1 0 357.498 2.655 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000852011828 1005932805 /nfs/dbraw/zinc/93/28/05/1005932805.db2.gz ARNSCWJVVFDBCP-WMZOPIPTSA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C2)cc1 ZINC000852196671 1005950154 /nfs/dbraw/zinc/95/01/54/1005950154.db2.gz UJLGKZAQZJNHIJ-HOTGVXAUSA-N 1 0 362.518 2.549 20 10 FFCDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000813764666 1006028339 /nfs/dbraw/zinc/02/83/39/1006028339.db2.gz GLVYADXBYNWQMP-UHFFFAOYSA-N 1 0 371.437 2.939 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454125 1006036004 /nfs/dbraw/zinc/03/60/04/1006036004.db2.gz NXYTWKWODZKCMR-ZWKOTPCHSA-N 1 0 374.529 2.647 20 10 FFCDRO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852455598 1006036415 /nfs/dbraw/zinc/03/64/15/1006036415.db2.gz UVPFNGLOAXHNSU-GOSISDBHSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000852843710 1006204894 /nfs/dbraw/zinc/20/48/94/1006204894.db2.gz FKRPNYSORRBQAO-SYNHAJSKSA-N 1 0 353.466 2.726 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)c3cccs3)cc2)CC1 ZINC000881849683 1006241510 /nfs/dbraw/zinc/24/15/10/1006241510.db2.gz SRESHPOKLGMTAK-UHFFFAOYSA-N 1 0 371.506 2.779 20 10 FFCDRO Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854025 1006244478 /nfs/dbraw/zinc/24/44/78/1006244478.db2.gz SFCJLKJVIUKQKI-UHFFFAOYSA-N 1 0 370.497 2.637 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc4ncccc34)cc2)CC1 ZINC000881855123 1006244545 /nfs/dbraw/zinc/24/45/45/1006244545.db2.gz PLSLRGWVKUXKIY-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000111785642 1006608743 /nfs/dbraw/zinc/60/87/43/1006608743.db2.gz NFMITHPQYJBKCJ-UHFFFAOYSA-N 1 0 370.449 2.632 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)C2)cc1 ZINC000883149544 1006673256 /nfs/dbraw/zinc/67/32/56/1006673256.db2.gz DCRFICFMGJTCST-OAHLLOKOSA-N 1 0 352.438 2.893 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000883371742 1006768979 /nfs/dbraw/zinc/76/89/79/1006768979.db2.gz YAZBVTSJBGMVSK-QUCCMNQESA-N 1 0 361.530 2.538 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(O)c1 ZINC000883399248 1006777679 /nfs/dbraw/zinc/77/76/79/1006777679.db2.gz IGUJMXGBPGDEEH-INIZCTEOSA-N 1 0 368.481 2.704 20 10 FFCDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883628055 1006914469 /nfs/dbraw/zinc/91/44/69/1006914469.db2.gz YYZDJRDVUDFYSX-VQIMIIECSA-N 1 0 374.529 2.756 20 10 FFCDRO O=C(CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCCCC1 ZINC000028791861 1006998735 /nfs/dbraw/zinc/99/87/35/1006998735.db2.gz AKPVNWUCKBNBAE-UHFFFAOYSA-N 1 0 367.493 2.676 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000132955075 1007027132 /nfs/dbraw/zinc/02/71/32/1007027132.db2.gz FYMBSWSMJLFXLP-GOSISDBHSA-N 1 0 373.541 2.755 20 10 FFCDRO O=C(CN1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1)N1CCCC1 ZINC000816484637 1007065136 /nfs/dbraw/zinc/06/51/36/1007065136.db2.gz JZYQHCLBMFSHTO-UHFFFAOYSA-N 1 0 367.493 2.676 20 10 FFCDRO C[C@@H](NCc1nc(CC(F)(F)F)no1)c1ccc(N2CCOCC2)cc1 ZINC000775257386 1007125287 /nfs/dbraw/zinc/12/52/87/1007125287.db2.gz JATIBXLVCGOPFE-GFCCVEGCSA-N 1 0 370.375 2.862 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000133644791 1007221737 /nfs/dbraw/zinc/22/17/37/1007221737.db2.gz OZYJFMCEDYQXFO-NRFANRHFSA-N 1 0 365.477 2.761 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254838 1007738601 /nfs/dbraw/zinc/73/86/01/1007738601.db2.gz KUZYQXQYZNACMF-QGZVFWFLSA-N 1 0 373.522 2.827 20 10 FFCDRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000775403243 1007748270 /nfs/dbraw/zinc/74/82/70/1007748270.db2.gz HVKOFKLCQVCQIU-VGSWGCGISA-N 1 0 367.493 2.567 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000817938465 1007815484 /nfs/dbraw/zinc/81/54/84/1007815484.db2.gz LBQMHNTZPVBKGH-AUUYWEPGSA-N 1 0 352.482 2.988 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000885935574 1007842687 /nfs/dbraw/zinc/84/26/87/1007842687.db2.gz NZCQJLXMESIOHT-NLWGTHIKSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000818049065 1007869165 /nfs/dbraw/zinc/86/91/65/1007869165.db2.gz VBLIJTVNGGTXDW-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)C2)cc1 ZINC000818221890 1007887485 /nfs/dbraw/zinc/88/74/85/1007887485.db2.gz VDEKOOMBARYKMD-AWEZNQCLSA-N 1 0 356.422 2.746 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4nc(C)cc(C)n34)C2)cc1 ZINC000818219715 1007888234 /nfs/dbraw/zinc/88/82/34/1007888234.db2.gz CVEKSUXWQZXZBM-QGZVFWFLSA-N 1 0 365.481 2.971 20 10 FFCDRO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001170896697 1007895247 /nfs/dbraw/zinc/89/52/47/1007895247.db2.gz ZJWLEEJHARXTLE-MMOPVJDHSA-N 1 0 360.498 2.805 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000114506175 1007934006 /nfs/dbraw/zinc/93/40/06/1007934006.db2.gz YHDTVQZEFGTPMS-UHFFFAOYSA-N 1 0 370.449 2.692 20 10 FFCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000114542519 1007952095 /nfs/dbraw/zinc/95/20/95/1007952095.db2.gz DLILUWBJTWZLPX-QGZVFWFLSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC3([NH3+])CCCCCC3)C2)cc1 ZINC000818653611 1007959300 /nfs/dbraw/zinc/95/93/00/1007959300.db2.gz PENSHBOFLVOJKW-KRWDZBQOSA-N 1 0 374.529 2.872 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1F ZINC000818985008 1008001295 /nfs/dbraw/zinc/00/12/95/1008001295.db2.gz LCOKYAWVOBFJBZ-HNNXBMFYSA-N 1 0 357.429 2.903 20 10 FFCDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094762 1008032212 /nfs/dbraw/zinc/03/22/12/1008032212.db2.gz LNBXBJNEIKLCBM-NRFANRHFSA-N 1 0 366.461 2.795 20 10 FFCDRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122716 1008048963 /nfs/dbraw/zinc/04/89/63/1008048963.db2.gz YLUOEOLOFYXWLU-HXUWFJFHSA-N 1 0 372.484 2.870 20 10 FFCDRO C[NH+](C)C1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CCCCCC1 ZINC000819166098 1008054410 /nfs/dbraw/zinc/05/44/10/1008054410.db2.gz MGRLXPWIYQWGTI-UHFFFAOYSA-N 1 0 359.470 2.811 20 10 FFCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000819358561 1008107606 /nfs/dbraw/zinc/10/76/06/1008107606.db2.gz LAKLIXPOOGPXOM-SFHVURJKSA-N 1 0 366.383 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COc3ccccc3C)C2)cc1 ZINC000819379797 1008128217 /nfs/dbraw/zinc/12/82/17/1008128217.db2.gz LAYNHOUZSSAFKE-UYAOXDASSA-N 1 0 370.493 2.859 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1 ZINC000115635897 1008216723 /nfs/dbraw/zinc/21/67/23/1008216723.db2.gz WNLGOERVHVOZRS-UHFFFAOYSA-N 1 0 358.461 2.953 20 10 FFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000819760893 1008232024 /nfs/dbraw/zinc/23/20/24/1008232024.db2.gz JMDGJLIAGLMDKK-HNNXBMFYSA-N 1 0 359.466 2.941 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCCO1 ZINC000858225733 1008328365 /nfs/dbraw/zinc/32/83/65/1008328365.db2.gz IWXWPDVMEVDZQA-VXKWHMMOSA-N 1 0 352.478 2.879 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000858245225 1008332746 /nfs/dbraw/zinc/33/27/46/1008332746.db2.gz DNAAHPPUOQYJQM-UHFFFAOYSA-N 1 0 353.466 2.599 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(N2CCOCC2)cc1 ZINC000858537042 1008378615 /nfs/dbraw/zinc/37/86/15/1008378615.db2.gz ASOIFBPFXDTUBR-HNNXBMFYSA-N 1 0 367.449 2.819 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(O)c1 ZINC000858564324 1008382507 /nfs/dbraw/zinc/38/25/07/1008382507.db2.gz KSQXBOOLEGPQHS-IEBWSBKVSA-N 1 0 355.482 2.956 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3CC=CC3)cc2F)CC1 ZINC000858718138 1008407468 /nfs/dbraw/zinc/40/74/68/1008407468.db2.gz GYHAHACKKVRRBG-UHFFFAOYSA-N 1 0 360.477 2.733 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000821125860 1008417585 /nfs/dbraw/zinc/41/75/85/1008417585.db2.gz UGHWMLDWEXWNNH-WMLDXEAASA-N 1 0 355.442 2.938 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000858766910 1008419422 /nfs/dbraw/zinc/41/94/22/1008419422.db2.gz WDCDUGATPQMGTF-IBGZPJMESA-N 1 0 365.477 2.802 20 10 FFCDRO Cc1ccc(OCCN(C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000137619108 1008633190 /nfs/dbraw/zinc/63/31/90/1008633190.db2.gz CUPXPXHMUPIITB-UHFFFAOYSA-N 1 0 355.482 2.688 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000886325739 1008639430 /nfs/dbraw/zinc/63/94/30/1008639430.db2.gz PNABTBGDGHKZLN-UHFFFAOYSA-N 1 0 353.466 2.687 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc21 ZINC000138005717 1008689574 /nfs/dbraw/zinc/68/95/74/1008689574.db2.gz IVPILVRRBLKSIS-QUCCMNQESA-N 1 0 356.514 2.695 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000773702503 1008696937 /nfs/dbraw/zinc/69/69/37/1008696937.db2.gz OYRWSZVUAXINES-RBUKOAKNSA-N 1 0 359.514 2.507 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773698819 1008706145 /nfs/dbraw/zinc/70/61/45/1008706145.db2.gz CGSWXGCAEHHALQ-UXHICEINSA-N 1 0 373.541 2.850 20 10 FFCDRO CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1Cc1ccccc1 ZINC000822804392 1008769491 /nfs/dbraw/zinc/76/94/91/1008769491.db2.gz XRUWTBDRICQRGN-SFHVURJKSA-N 1 0 365.437 2.848 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C12CCC2 ZINC000886749013 1008859148 /nfs/dbraw/zinc/85/91/48/1008859148.db2.gz GFNYHXCDAFADQG-WOJBJXKFSA-N 1 0 371.525 2.826 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773731961 1008920276 /nfs/dbraw/zinc/92/02/76/1008920276.db2.gz PDROBWNYLWCKGZ-UHFFFAOYSA-N 1 0 361.530 2.898 20 10 FFCDRO CCCCC[C@H](O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000823162291 1008953296 /nfs/dbraw/zinc/95/32/96/1008953296.db2.gz SGCZXYJZNDSYLX-IBGZPJMESA-N 1 0 365.493 2.525 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)ccc3N)cc2F)CC1 ZINC001136687264 1008967626 /nfs/dbraw/zinc/96/76/26/1008967626.db2.gz JNEFEAVRCJDJFM-UHFFFAOYSA-N 1 0 374.435 2.619 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)cc1 ZINC000823378030 1009039743 /nfs/dbraw/zinc/03/97/43/1009039743.db2.gz CLZBPSQPJXGZFE-ZIFCJYIRSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC000823634040 1009149906 /nfs/dbraw/zinc/14/99/06/1009149906.db2.gz VYIQQUWYSAYURT-IAGOWNOFSA-N 1 0 362.518 2.549 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(S(C)(=O)=O)c3)CC2)cc1 ZINC000823756828 1009215064 /nfs/dbraw/zinc/21/50/64/1009215064.db2.gz BYPRBOSINQKPTL-UHFFFAOYSA-N 1 0 374.506 2.857 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cs2)cc1 ZINC000825558290 1009274920 /nfs/dbraw/zinc/27/49/20/1009274920.db2.gz FZKVJIWRDGDPRF-DOTOQJQBSA-N 1 0 370.522 2.920 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000861808295 1009565451 /nfs/dbraw/zinc/56/54/51/1009565451.db2.gz KMWLKSTYEBQZDT-PXNSSMCTSA-N 1 0 351.450 2.683 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000861809471 1009565838 /nfs/dbraw/zinc/56/58/38/1009565838.db2.gz VNOOBJKRQLLSKE-RXVVDRJESA-N 1 0 365.477 2.612 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862278717 1009780398 /nfs/dbraw/zinc/78/03/98/1009780398.db2.gz JOSVUNKENZNNEL-CXAGYDPISA-N 1 0 366.458 2.515 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000862536057 1009867783 /nfs/dbraw/zinc/86/77/83/1009867783.db2.gz CKHVSXBJUVXLRC-NRFANRHFSA-N 1 0 366.461 2.796 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC001181656724 1010200252 /nfs/dbraw/zinc/20/02/52/1010200252.db2.gz UKDBSGQBACXEJX-WBVHZDCISA-N 1 0 354.516 2.713 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C)no3)C[C@H]2C)cc1C ZINC001093631151 1010391724 /nfs/dbraw/zinc/39/17/24/1010391724.db2.gz KGGXEALJZYFMKP-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](OC)C3CC3)C[C@H]2C)cc1C ZINC001093749250 1010521128 /nfs/dbraw/zinc/52/11/28/1010521128.db2.gz QCOUYVXFOOEOCW-ZTNFWEORSA-N 1 0 360.498 2.613 20 10 FFCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000794800985 1010632212 /nfs/dbraw/zinc/63/22/12/1010632212.db2.gz GGPPBIOLUPRCRN-GOSISDBHSA-N 1 0 358.461 2.688 20 10 FFCDRO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc2c(cc1O)CCCC2 ZINC000866629942 1011026931 /nfs/dbraw/zinc/02/69/31/1011026931.db2.gz UIOLVUNWYPKNGH-LBPRGKRZSA-N 1 0 355.438 2.690 20 10 FFCDRO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000868130160 1011177339 /nfs/dbraw/zinc/17/73/39/1011177339.db2.gz LJCBQRZOIZEALT-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(OC)c1 ZINC001172122411 1011658510 /nfs/dbraw/zinc/65/85/10/1011658510.db2.gz ASDOEECQWSCYLA-BCDXTJNWSA-N 1 0 359.514 2.841 20 10 FFCDRO CC(C)(C)C(=O)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275227729 1012107578 /nfs/dbraw/zinc/10/75/78/1012107578.db2.gz ITZJGRLFIICTKV-MRXNPFEDSA-N 1 0 358.482 2.726 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@]12CCC[N@@H+](Cc1ccccc1O)CC2 ZINC001275231837 1012112327 /nfs/dbraw/zinc/11/23/27/1012112327.db2.gz HQGBTXZYUVEQPL-HXUWFJFHSA-N 1 0 355.438 2.785 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)c1O ZINC001275241499 1012128205 /nfs/dbraw/zinc/12/82/05/1012128205.db2.gz IPTCDAPDQKKWJP-QGZVFWFLSA-N 1 0 372.387 2.920 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c(O)c1 ZINC001275244124 1012132245 /nfs/dbraw/zinc/13/22/45/1012132245.db2.gz BVYBGIBWHSWIHO-AWEZNQCLSA-N 1 0 372.387 2.681 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c(O)c1 ZINC001275387523 1012408787 /nfs/dbraw/zinc/40/87/87/1012408787.db2.gz FVYPUQDWJYVAIB-AWEZNQCLSA-N 1 0 356.388 2.981 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000828258239 1032641457 /nfs/dbraw/zinc/64/14/57/1032641457.db2.gz AOEOUDRNQOLZJR-PXYYCUNGSA-N 1 0 359.426 2.702 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000870861112 1012610207 /nfs/dbraw/zinc/61/02/07/1012610207.db2.gz DTWOZHWDHGJGLT-QWFCFKBJSA-N 1 0 359.514 2.778 20 10 FFCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000870896041 1012624578 /nfs/dbraw/zinc/62/45/78/1012624578.db2.gz FCRSFTVNOSBCCP-SSHHRWTQSA-N 1 0 365.424 2.500 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccoc4)C3)C2=O)cc1 ZINC001275669612 1012809600 /nfs/dbraw/zinc/80/96/00/1012809600.db2.gz LDUIWDQGLFULGM-NRFANRHFSA-N 1 0 353.466 2.970 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)CN(C2CCCC2)C(=O)CO3)c1O ZINC001275771495 1012989712 /nfs/dbraw/zinc/98/97/12/1012989712.db2.gz PAIYRDRWLJESQQ-NRFANRHFSA-N 1 0 358.482 2.755 20 10 FFCDRO CC(C)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](C)[NH3+] ZINC000828359607 1032678169 /nfs/dbraw/zinc/67/81/69/1032678169.db2.gz ZRNNJZXZJSPYRD-SUMWQHHRSA-N 1 0 369.456 2.992 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2)C1 ZINC000924727297 1017451639 /nfs/dbraw/zinc/45/16/39/1017451639.db2.gz DVBCBFTYPDNNHC-SBHAEUEKSA-N 1 0 371.525 2.683 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)C1 ZINC000924727342 1017451984 /nfs/dbraw/zinc/45/19/84/1017451984.db2.gz FFLBVAHHRDSYJG-SBHAEUEKSA-N 1 0 371.525 2.683 20 10 FFCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924731717 1017453753 /nfs/dbraw/zinc/45/37/53/1017453753.db2.gz ZLOSIDVPFOQYTG-YZGWKJHDSA-N 1 0 359.514 2.539 20 10 FFCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924731713 1017454073 /nfs/dbraw/zinc/45/40/73/1017454073.db2.gz ZLOSIDVPFOQYTG-YSIASYRMSA-N 1 0 359.514 2.539 20 10 FFCDRO Oc1ccc(F)cc1C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000827365539 1017782264 /nfs/dbraw/zinc/78/22/64/1017782264.db2.gz NEYSWAYKTJPAGT-UHFFFAOYSA-N 1 0 355.457 2.976 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000926874198 1018276086 /nfs/dbraw/zinc/27/60/86/1018276086.db2.gz QOTYVBBHEMHDOO-CTNGQTDRSA-N 1 0 371.525 2.683 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC000926874237 1018276643 /nfs/dbraw/zinc/27/66/43/1018276643.db2.gz RNTQIITTXPNTCK-FPOVZHCZSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CC1 ZINC000749129182 1018347408 /nfs/dbraw/zinc/34/74/08/1018347408.db2.gz FAROMGJVUWWIFZ-HNNXBMFYSA-N 1 0 355.461 2.830 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)C1CC1 ZINC000749129208 1018348983 /nfs/dbraw/zinc/34/89/83/1018348983.db2.gz FAROMGJVUWWIFZ-OAHLLOKOSA-N 1 0 355.461 2.830 20 10 FFCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1(CO)CCOCC1 ZINC000827908109 1018952727 /nfs/dbraw/zinc/95/27/27/1018952727.db2.gz KMNPQVCZWDGVAZ-UHFFFAOYSA-N 1 0 357.450 2.945 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCON2C(=O)c3ccccc3C2=O)c1 ZINC000828682417 1032800805 /nfs/dbraw/zinc/80/08/05/1032800805.db2.gz NUQNRVCVPLFFCI-ZDUSSCGKSA-N 1 0 370.405 2.669 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902066521 1019778521 /nfs/dbraw/zinc/77/85/21/1019778521.db2.gz ZMAPBBGIYAOWOR-ICSRJNTNSA-N 1 0 359.514 2.948 20 10 FFCDRO Cc1cc(NC(=O)N2Cc3cccc(O)c3C2)n(C2CC[NH+](C)CC2)n1 ZINC000930284660 1019962336 /nfs/dbraw/zinc/96/23/36/1019962336.db2.gz ZHHPGLHLDUEQMZ-UHFFFAOYSA-N 1 0 355.442 2.712 20 10 FFCDRO CC[C@@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CC1 ZINC000900184443 1020247646 /nfs/dbraw/zinc/24/76/46/1020247646.db2.gz CNTDRMZSBMYGLC-MSOLQXFVSA-N 1 0 358.486 2.561 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC34CCCC4)cc2)C1 ZINC000903075296 1020665378 /nfs/dbraw/zinc/66/53/78/1020665378.db2.gz SYMVMZMXTWWVHA-HKUYNNGSSA-N 1 0 357.498 2.580 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CCC[C@@H]3F)ccc(O)c21 ZINC001217980901 1032930987 /nfs/dbraw/zinc/93/09/87/1032930987.db2.gz NFKWIKQDOQCEBA-XJKSGUPXSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000829003102 1032940195 /nfs/dbraw/zinc/94/01/95/1032940195.db2.gz JAXKDPQQJHULFY-AOIWGVFYSA-N 1 0 360.498 2.926 20 10 FFCDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116409868 1021203114 /nfs/dbraw/zinc/20/31/14/1021203114.db2.gz ICLOUYYIKIYAKQ-BEFAXECRSA-N 1 0 361.461 2.772 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC[N@@H+](C(C)(C)C)CC3)cc2F)CC1 ZINC001116444534 1021221163 /nfs/dbraw/zinc/22/11/63/1021221163.db2.gz XLTUVZLHOOHJSV-UHFFFAOYSA-N 1 0 362.537 2.884 20 10 FFCDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116449601 1021223477 /nfs/dbraw/zinc/22/34/77/1021223477.db2.gz RKFYZAHRQAPPMJ-FQEVSTJZSA-N 1 0 371.504 2.957 20 10 FFCDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001116486696 1021241395 /nfs/dbraw/zinc/24/13/95/1021241395.db2.gz NEVBLTOHMFSMSJ-QGZVFWFLSA-N 1 0 368.403 2.560 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)ccc1OCC(N)=O ZINC001116584397 1021294774 /nfs/dbraw/zinc/29/47/74/1021294774.db2.gz FGJLXIZPGKIXSN-UKRRQHHQSA-N 1 0 370.449 2.911 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1C[NH2+]CC[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218043442 1032969197 /nfs/dbraw/zinc/96/91/97/1032969197.db2.gz IGMQBIIYGMECQW-SJKOYZFVSA-N 1 0 351.402 2.847 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001019165487 1022410045 /nfs/dbraw/zinc/41/00/45/1022410045.db2.gz UYBVJVNUSFPBRI-CGBFIWBNSA-N 1 0 358.482 2.509 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3coc4cc(O)ccc34)cc2)CC1 ZINC000829296223 1033085150 /nfs/dbraw/zinc/08/51/50/1033085150.db2.gz GCMMDFMFBCQNJS-UHFFFAOYSA-N 1 0 365.433 2.820 20 10 FFCDRO O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276780486 1033091898 /nfs/dbraw/zinc/09/18/98/1033091898.db2.gz OBLBAOCHGLMSFO-FQEVSTJZSA-N 1 0 360.454 2.703 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218316910 1033100787 /nfs/dbraw/zinc/10/07/87/1033100787.db2.gz ZTVRLYSBSIOIJG-INIZCTEOSA-N 1 0 351.402 2.935 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc2c1C(=O)c1ccccc1C2=O ZINC001218333356 1033111519 /nfs/dbraw/zinc/11/15/19/1033111519.db2.gz YEWMYEYBGRQYHI-PZPSRYQVSA-N 1 0 363.413 2.766 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[NH+](C)C)cc1 ZINC001122328846 1023191943 /nfs/dbraw/zinc/19/19/43/1023191943.db2.gz XGJGOVPMNDSJQY-LEWJYISDSA-N 1 0 366.509 2.706 20 10 FFCDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000779191834 1023326210 /nfs/dbraw/zinc/32/62/10/1023326210.db2.gz YNLPBOJZSZHJSF-ZDUSSCGKSA-N 1 0 366.458 2.756 20 10 FFCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000753569337 1023353650 /nfs/dbraw/zinc/35/36/50/1023353650.db2.gz BQLLZZUJRQFHGD-RBUKOAKNSA-N 1 0 354.450 2.976 20 10 FFCDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000753592165 1023357199 /nfs/dbraw/zinc/35/71/99/1023357199.db2.gz XHFNFVCFRPPARN-UHFFFAOYSA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC000754727269 1023508708 /nfs/dbraw/zinc/50/87/08/1023508708.db2.gz VGXJEWWUSLTORY-UHFFFAOYSA-N 1 0 373.541 2.918 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC=CCC3)cc2F)CC1 ZINC000077594405 1023642334 /nfs/dbraw/zinc/64/23/34/1023642334.db2.gz POHVSNMHHYQBKI-KRWDZBQOSA-N 1 0 360.477 2.876 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1C(C)C ZINC000755940694 1023653793 /nfs/dbraw/zinc/65/37/93/1023653793.db2.gz YJMYIOXOWSVMIC-SFHVURJKSA-N 1 0 373.541 2.953 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756391934 1023704169 /nfs/dbraw/zinc/70/41/69/1023704169.db2.gz HYLORJFHZQTHKE-ZDUSSCGKSA-N 1 0 362.424 2.668 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(O)c1 ZINC000756457560 1023713451 /nfs/dbraw/zinc/71/34/51/1023713451.db2.gz RPYYRMZCJVTZJT-HOCLYGCPSA-N 1 0 370.449 2.676 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000756865455 1023761704 /nfs/dbraw/zinc/76/17/04/1023761704.db2.gz ZWSOKGRZERUMDE-MOPGFXCFSA-N 1 0 371.433 2.712 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1C[NH2+]CCC1(F)F ZINC001218447695 1033160978 /nfs/dbraw/zinc/16/09/78/1033160978.db2.gz KZMUHBPXCYZCOT-AWEZNQCLSA-N 1 0 359.328 2.544 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(F)c(C)c3)CC2)cc1 ZINC000758225948 1023975273 /nfs/dbraw/zinc/97/52/73/1023975273.db2.gz WOOLTDXCLMUKLN-GOSISDBHSA-N 1 0 374.456 2.705 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000079000935 1024059765 /nfs/dbraw/zinc/05/97/65/1024059765.db2.gz ISZLPWMFIXXLJL-HNNXBMFYSA-N 1 0 354.454 2.865 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cccc(O)c2O)cc1 ZINC000193014186 1024348674 /nfs/dbraw/zinc/34/86/74/1024348674.db2.gz RVPBMQTYAKKBEV-UHFFFAOYSA-N 1 0 358.438 2.748 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC4(C[NH2+]C4)CC3)c2C)cc1 ZINC001122129256 1024366743 /nfs/dbraw/zinc/36/67/43/1024366743.db2.gz LDTQSTLZQRNOIT-UHFFFAOYSA-N 1 0 353.466 2.928 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(CC)CC ZINC000759442188 1024609950 /nfs/dbraw/zinc/60/99/50/1024609950.db2.gz YAGAUQFZLKGRLS-RTBURBONSA-N 1 0 361.530 2.942 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000245202597 1025392494 /nfs/dbraw/zinc/39/24/94/1025392494.db2.gz UHRLENHTNVRHCG-FGTMMUONSA-N 1 0 359.514 2.995 20 10 FFCDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000245551604 1025454947 /nfs/dbraw/zinc/45/49/47/1025454947.db2.gz BPALPLNZQNTDNT-WOIUINJBSA-N 1 0 373.541 2.597 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)ccc21 ZINC001141141354 1025509716 /nfs/dbraw/zinc/50/97/16/1025509716.db2.gz XOKLTFJJBKRPQM-FUHWJXTLSA-N 1 0 373.497 2.956 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141141488 1025509944 /nfs/dbraw/zinc/50/99/44/1025509944.db2.gz SFFQPZVJJUCLGZ-GHTZIAJQSA-N 1 0 360.498 2.923 20 10 FFCDRO O=C1NCc2ccccc2CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141158784 1025540658 /nfs/dbraw/zinc/54/06/58/1025540658.db2.gz NGBLVTFDGYZJLB-UHFFFAOYSA-N 1 0 352.434 2.553 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159517 1025542593 /nfs/dbraw/zinc/54/25/93/1025542593.db2.gz FBOPCMCTKCRNGO-UHFFFAOYSA-N 1 0 367.449 2.621 20 10 FFCDRO COCC[N@H+](Cc1cc(O)ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141161126 1025544002 /nfs/dbraw/zinc/54/40/02/1025544002.db2.gz AJCBODRVYVNLIA-HNNXBMFYSA-N 1 0 366.458 2.556 20 10 FFCDRO COCC1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000640562708 1026799013 /nfs/dbraw/zinc/79/90/13/1026799013.db2.gz ORYWYKVFZBLLCM-UHFFFAOYSA-N 1 0 355.482 2.513 20 10 FFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000840719022 1027228416 /nfs/dbraw/zinc/22/84/16/1027228416.db2.gz QFHRCYRKAZXDEO-OAHLLOKOSA-N 1 0 373.472 2.911 20 10 FFCDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001160594900 1027767138 /nfs/dbraw/zinc/76/71/38/1027767138.db2.gz XGWUMFQDTVPUCL-UHFFFAOYSA-N 1 0 371.437 2.559 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3cc(C)ccc3O)C2=O)c1 ZINC000093840872 1027851591 /nfs/dbraw/zinc/85/15/91/1027851591.db2.gz ZNOOJNZENJAIMS-LJQANCHMSA-N 1 0 370.449 2.955 20 10 FFCDRO O=C(NCCC1CC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000093993472 1027889003 /nfs/dbraw/zinc/88/90/03/1027889003.db2.gz SOQDJQLLVQIBRB-UHFFFAOYSA-N 1 0 356.514 2.818 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc1 ZINC001155331127 1028678823 /nfs/dbraw/zinc/67/88/23/1028678823.db2.gz GWWRRNBNCAGJIB-UHFFFAOYSA-N 1 0 353.466 2.687 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)O2 ZINC000690657811 1028818330 /nfs/dbraw/zinc/81/83/30/1028818330.db2.gz VXCBLFVUTQIODF-KRWDZBQOSA-N 1 0 374.481 2.880 20 10 FFCDRO COC(=O)c1cncnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155630075 1028824635 /nfs/dbraw/zinc/82/46/35/1028824635.db2.gz PUECMVZOWPLJNW-QFHJOOASSA-N 1 0 368.481 2.663 20 10 FFCDRO CCOC(=O)c1cc(C)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656378 1029290232 /nfs/dbraw/zinc/29/02/32/1029290232.db2.gz RGWQMOBRAGYKAS-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001157433332 1029585301 /nfs/dbraw/zinc/58/53/01/1029585301.db2.gz JMTWHSBAXGLTMG-GTCCEBARSA-N 1 0 372.509 2.907 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c(C)n1-c1ccccc1C ZINC001157549951 1029615287 /nfs/dbraw/zinc/61/52/87/1029615287.db2.gz TXYZDRMZGJFSPG-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO Cc1ccnc(OC2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1 ZINC000782276021 1029636530 /nfs/dbraw/zinc/63/65/30/1029636530.db2.gz PSQAUSXYIUAKLV-GOSISDBHSA-N 1 0 356.422 2.565 20 10 FFCDRO CC[C@](C[NH2+]Cc1cc2c(cc1O)OCO2)(C(=O)OC)c1ccccc1 ZINC000840976780 1029957918 /nfs/dbraw/zinc/95/79/18/1029957918.db2.gz FWOSWILWDASTTP-HXUWFJFHSA-N 1 0 357.406 2.732 20 10 FFCDRO COC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)C1CCCC1 ZINC000783228432 1029980000 /nfs/dbraw/zinc/98/00/00/1029980000.db2.gz YSPVDEZSSQIAAC-OAQYLSRUSA-N 1 0 361.530 2.612 20 10 FFCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841160070 1030082524 /nfs/dbraw/zinc/08/25/24/1030082524.db2.gz AMEFRRILCBLYDX-AWEZNQCLSA-N 1 0 351.410 2.861 20 10 FFCDRO O=C(COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(O)c(O)c1 ZINC000783656224 1030212997 /nfs/dbraw/zinc/21/29/97/1030212997.db2.gz WEDIKHDJWFMYNR-KRWDZBQOSA-N 1 0 369.417 2.736 20 10 FFCDRO C[C@H]([NH2+]Cc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)c1ccccc1O ZINC000697568142 1030295573 /nfs/dbraw/zinc/29/55/73/1030295573.db2.gz JDHOEWIQRDHHDW-LBPRGKRZSA-N 1 0 374.441 2.763 20 10 FFCDRO CCc1ccc([C@@H](CNC(=O)NCCc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841636433 1030380873 /nfs/dbraw/zinc/38/08/73/1030380873.db2.gz MTSWEGCJTLDOLK-HXUWFJFHSA-N 1 0 354.498 2.976 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000841710252 1030422082 /nfs/dbraw/zinc/42/20/82/1030422082.db2.gz VBVPDBCPDYZBEG-UHFFFAOYSA-N 1 0 350.466 2.889 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000841778706 1030458959 /nfs/dbraw/zinc/45/89/59/1030458959.db2.gz DMGCFKAZQONYIB-UHFFFAOYSA-N 1 0 360.502 2.625 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3CCC(=O)[O-])cc2)CC1 ZINC000841810327 1030482097 /nfs/dbraw/zinc/48/20/97/1030482097.db2.gz BENTYWYBEBKMJC-QUCCMNQESA-N 1 0 359.514 2.952 20 10 FFCDRO [NH3+][C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000841950188 1030558269 /nfs/dbraw/zinc/55/82/69/1030558269.db2.gz QWPZLGJJGBDLDO-RTBURBONSA-N 1 0 369.465 2.783 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000841992868 1030571446 /nfs/dbraw/zinc/57/14/46/1030571446.db2.gz ZUOHFFAFBKQQFF-UHFFFAOYSA-N 1 0 363.502 2.720 20 10 FFCDRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203551509 1030759800 /nfs/dbraw/zinc/75/98/00/1030759800.db2.gz GLECTNSNKZJODS-UHFFFAOYSA-N 1 0 351.450 2.802 20 10 FFCDRO CO[C@@H]1CC[N@H+](Cc2ccccc2O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001203551721 1030760139 /nfs/dbraw/zinc/76/01/39/1030760139.db2.gz LMNVHEJQOFMIKO-QKNQBKEWSA-N 1 0 353.466 2.509 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1cccc(OC)c1O)CC2 ZINC001203589468 1030772780 /nfs/dbraw/zinc/77/27/80/1030772780.db2.gz ITCMVKOUGFDRDV-UHFFFAOYSA-N 1 0 362.451 2.635 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c1O ZINC001203592032 1030775727 /nfs/dbraw/zinc/77/57/27/1030775727.db2.gz ATCQUCBDURHKGI-GUDVDZBRSA-N 1 0 370.449 2.997 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1O ZINC001203593720 1030779281 /nfs/dbraw/zinc/77/92/81/1030779281.db2.gz PULKVCRVAMDVRF-IEBWSBKVSA-N 1 0 372.440 2.877 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1O ZINC001203608154 1030784233 /nfs/dbraw/zinc/78/42/33/1030784233.db2.gz JUVUUSCLDIBJQG-NVXWUHKLSA-N 1 0 354.454 2.539 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001203608486 1030784767 /nfs/dbraw/zinc/78/47/67/1030784767.db2.gz RAGJIUKVDCLHFX-PGRDOPGGSA-N 1 0 366.461 2.897 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203634862 1030797606 /nfs/dbraw/zinc/79/76/06/1030797606.db2.gz YVFQYWXAXDXZJX-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203657093 1030808468 /nfs/dbraw/zinc/80/84/68/1030808468.db2.gz DNAPAHNNICDTHV-UHFFFAOYSA-N 1 0 352.862 2.649 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001203671058 1030816839 /nfs/dbraw/zinc/81/68/39/1030816839.db2.gz IDEGXBSNJYDZIN-QVKFZJNVSA-N 1 0 367.449 2.671 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC001203673082 1030820208 /nfs/dbraw/zinc/82/02/08/1030820208.db2.gz MFFWEONOGKNXEB-LJQANCHMSA-N 1 0 366.461 2.897 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001203673081 1030821621 /nfs/dbraw/zinc/82/16/21/1030821621.db2.gz MFFWEONOGKNXEB-IBGZPJMESA-N 1 0 366.461 2.897 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC001203677972 1030824809 /nfs/dbraw/zinc/82/48/09/1030824809.db2.gz CYHOPJZAVSRADY-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203877632 1030953711 /nfs/dbraw/zinc/95/37/11/1030953711.db2.gz VBDWPUYDHGNWRC-QYZOEREBSA-N 1 0 370.497 2.668 20 10 FFCDRO CN(C)c1ccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC001203930810 1030989469 /nfs/dbraw/zinc/98/94/69/1030989469.db2.gz INXRZNZPWARQCE-PCCBWWKXSA-N 1 0 353.466 2.958 20 10 FFCDRO CN(C)c1ccc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC001203934318 1030992840 /nfs/dbraw/zinc/99/28/40/1030992840.db2.gz QGNUGYXZCROFSU-UHFFFAOYSA-N 1 0 365.403 2.884 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNCC(F)(F)C3(O)CCCCC3)cc2)CC1 ZINC001204011715 1031037244 /nfs/dbraw/zinc/03/72/44/1031037244.db2.gz HEWIIEAHJFNTET-UHFFFAOYSA-N 1 0 367.484 2.859 20 10 FFCDRO Fc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000843116758 1031189433 /nfs/dbraw/zinc/18/94/33/1031189433.db2.gz HZVJLJOXCYEIBG-NRFANRHFSA-N 1 0 373.447 2.948 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(O)c1 ZINC001204274273 1031201323 /nfs/dbraw/zinc/20/13/23/1031201323.db2.gz LRHIQNMUDXPJEM-SFHLNBCPSA-N 1 0 370.449 2.832 20 10 FFCDRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204273823 1031202470 /nfs/dbraw/zinc/20/24/70/1031202470.db2.gz WIBFXODVQDMGKS-NRFANRHFSA-N 1 0 370.424 2.862 20 10 FFCDRO Oc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c(O)c1 ZINC001204275467 1031204435 /nfs/dbraw/zinc/20/44/35/1031204435.db2.gz RCLZYRIKXYSKLG-UHFFFAOYSA-N 1 0 352.394 2.922 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328234 1031230107 /nfs/dbraw/zinc/23/01/07/1031230107.db2.gz RWDNYWKAVZXYAG-IBGZPJMESA-N 1 0 353.514 2.677 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCn3cnc(COCCO)c3C2)c1O ZINC001143105527 1031236263 /nfs/dbraw/zinc/23/62/63/1031236263.db2.gz ZIORQXWVJBNLFS-UHFFFAOYSA-N 1 0 373.497 2.801 20 10 FFCDRO COc1cc(CN2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204342905 1031237568 /nfs/dbraw/zinc/23/75/68/1031237568.db2.gz OHRRYAJFXUYBOQ-CQSZACIVSA-N 1 0 366.458 2.986 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(C(C)(C)C)c2O)O1 ZINC001143108326 1031238750 /nfs/dbraw/zinc/23/87/50/1031238750.db2.gz NFWKZGLTYLDMKE-KURKYZTESA-N 1 0 360.498 2.946 20 10 FFCDRO COc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)cc(O)c1O ZINC001204343898 1031239634 /nfs/dbraw/zinc/23/96/34/1031239634.db2.gz BOMNMGRHUDMIPE-MSOLQXFVSA-N 1 0 354.450 2.813 20 10 FFCDRO CN1CCN(C(=O)C2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)CC1 ZINC001143111025 1031241218 /nfs/dbraw/zinc/24/12/18/1031241218.db2.gz UQZATYDBXRDEOG-UHFFFAOYSA-N 1 0 373.541 2.676 20 10 FFCDRO COc1cc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(O)c1O ZINC001204347104 1031243305 /nfs/dbraw/zinc/24/33/05/1031243305.db2.gz MWDMLCUNVMBAJO-GJZGRUSLSA-N 1 0 360.479 2.732 20 10 FFCDRO COc1ccccc1CNC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349922 1031341089 /nfs/dbraw/zinc/34/10/89/1031341089.db2.gz MREJFHOOLJJREW-HNNXBMFYSA-N 1 0 353.466 2.611 20 10 FFCDRO CCOC(=O)c1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350958 1031343485 /nfs/dbraw/zinc/34/34/85/1031343485.db2.gz YVIHRWCTGUFLFH-UHFFFAOYSA-N 1 0 367.449 2.713 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843350645 1031344072 /nfs/dbraw/zinc/34/40/72/1031344072.db2.gz RWMLEMFMSKKAEO-UHFFFAOYSA-N 1 0 372.400 2.974 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1cc(OC)ccc1O)Cc1ccc(F)cc1C ZINC000843414725 1031389484 /nfs/dbraw/zinc/38/94/84/1031389484.db2.gz LJESZTWWRHLYIR-INIZCTEOSA-N 1 0 360.429 2.543 20 10 FFCDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(-c2ccccc2)ccc1O ZINC000843428276 1031399684 /nfs/dbraw/zinc/39/96/84/1031399684.db2.gz HCIOYDVIBXIBSY-MRXNPFEDSA-N 1 0 353.466 2.611 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000843485187 1031423376 /nfs/dbraw/zinc/42/33/76/1031423376.db2.gz OPPAQIGRUGALOD-LPHOPBHVSA-N 1 0 354.450 2.861 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000843487497 1031425052 /nfs/dbraw/zinc/42/50/52/1031425052.db2.gz HSQDTMRWHRIOIL-VQIMIIECSA-N 1 0 354.450 2.861 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000843487221 1031425829 /nfs/dbraw/zinc/42/58/29/1031425829.db2.gz BRBBPFRJHGXWPP-BBTUJRGHSA-N 1 0 359.514 2.634 20 10 FFCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843488079 1031425876 /nfs/dbraw/zinc/42/58/76/1031425876.db2.gz PWMVQBYPLQLKIT-MAUKXSAKSA-N 1 0 370.449 2.763 20 10 FFCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000799576910 1031816998 /nfs/dbraw/zinc/81/69/98/1031816998.db2.gz OGWCUSGNVVZFGH-YCNDBHRSSA-N 1 0 359.466 2.988 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205580205 1031847946 /nfs/dbraw/zinc/84/79/46/1031847946.db2.gz RKYHHGWZJSUQGU-OAHLLOKOSA-N 1 0 361.255 2.816 20 10 FFCDRO CN(C)c1cc(F)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1F ZINC001205666776 1031919021 /nfs/dbraw/zinc/91/90/21/1031919021.db2.gz DDBWXXOMHNTWRF-UHFFFAOYSA-N 1 0 350.369 2.904 20 10 FFCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219191029 1033547750 /nfs/dbraw/zinc/54/77/50/1033547750.db2.gz FTAARUXDMNXOGA-HNNXBMFYSA-N 1 0 364.453 2.954 20 10 FFCDRO C[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CC[N@H+](Cc2ccccc2)C1 ZINC000831139458 1033963765 /nfs/dbraw/zinc/96/37/65/1033963765.db2.gz CLLGDBLGTWEYFF-HXUWFJFHSA-N 1 0 358.413 2.879 20 10 FFCDRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138216907 1033967748 /nfs/dbraw/zinc/96/77/48/1033967748.db2.gz PDOTUHSCBDOIQJ-QHAWAJNXSA-N 1 0 371.525 2.650 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)O1 ZINC001138218786 1033970808 /nfs/dbraw/zinc/97/08/08/1033970808.db2.gz UJVSUAIKNYEPKF-NJYVYQBISA-N 1 0 371.525 2.933 20 10 FFCDRO Cc1c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](O)C2)c2ccccc2n1C ZINC001138252952 1034022927 /nfs/dbraw/zinc/02/29/27/1034022927.db2.gz XZWVFTNMZNPZLK-INIZCTEOSA-N 1 0 373.497 2.900 20 10 FFCDRO COCC[N@H+](Cc1c(C)n(C)c2ccccc12)C1CCN(C(C)=O)CC1 ZINC001138257166 1034026017 /nfs/dbraw/zinc/02/60/17/1034026017.db2.gz YRHOTWDUEMBZFH-UHFFFAOYSA-N 1 0 357.498 2.946 20 10 FFCDRO Cc1c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)c2ccccc2n1C ZINC001138256746 1034026592 /nfs/dbraw/zinc/02/65/92/1034026592.db2.gz JCBBDXMUAFIYDR-MRXNPFEDSA-N 1 0 373.497 2.900 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277025640 1034168438 /nfs/dbraw/zinc/16/84/38/1034168438.db2.gz GALDONJIAITBJC-XOBRGWDASA-N 1 0 362.445 2.774 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc4c(c3)CCCN4C)[C@@H]2C1 ZINC001138357781 1034194392 /nfs/dbraw/zinc/19/43/92/1034194392.db2.gz KDGFTOXDGFUOSB-CEWLAPEOSA-N 1 0 371.525 2.573 20 10 FFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138359011 1034195456 /nfs/dbraw/zinc/19/54/56/1034195456.db2.gz HITWRUJXCOGQHY-GOSISDBHSA-N 1 0 368.481 2.829 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(OC)c1 ZINC001138392368 1034228642 /nfs/dbraw/zinc/22/86/42/1034228642.db2.gz VOENVTUYYFEJRC-UHFFFAOYSA-N 1 0 362.518 2.777 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000831729488 1034246805 /nfs/dbraw/zinc/24/68/05/1034246805.db2.gz VQEUFESWPJRLPO-QAPCUYQASA-N 1 0 372.900 2.961 20 10 FFCDRO Cc1cccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC001138495136 1034332738 /nfs/dbraw/zinc/33/27/38/1034332738.db2.gz SUAAKYMQVISRRQ-UHFFFAOYSA-N 1 0 352.482 2.549 20 10 FFCDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497324 1034334074 /nfs/dbraw/zinc/33/40/74/1034334074.db2.gz FRGZGEUEJKHGIJ-JOCHJYFZSA-N 1 0 371.525 2.746 20 10 FFCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499504 1034340775 /nfs/dbraw/zinc/34/07/75/1034340775.db2.gz NIKPTIHXSVZXRW-KRWDZBQOSA-N 1 0 356.470 2.848 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000832273384 1034695850 /nfs/dbraw/zinc/69/58/50/1034695850.db2.gz NRTIVLYLHPSEJW-HDMKZQKVSA-N 1 0 359.420 2.951 20 10 FFCDRO CCC(=O)c1ccc(OCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293324 1034707128 /nfs/dbraw/zinc/70/71/28/1034707128.db2.gz VAPXEZQEDSHPLO-IBGZPJMESA-N 1 0 369.465 2.540 20 10 FFCDRO CCOC(=O)Nc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832293360 1034707746 /nfs/dbraw/zinc/70/77/46/1034707746.db2.gz VLYZEATVPDBSIA-SFHVURJKSA-N 1 0 370.453 2.751 20 10 FFCDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc2c1O[C@@H](C)C2 ZINC000832292584 1034708531 /nfs/dbraw/zinc/70/85/31/1034708531.db2.gz JUKBIKBYVGITDG-UGSOOPFHSA-N 1 0 369.465 2.514 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(N(C)C)cc1 ZINC001226646845 1034770073 /nfs/dbraw/zinc/77/00/73/1034770073.db2.gz IYCQSFCJHAYQGH-JCGIZDLHSA-N 1 0 362.543 2.693 20 10 FFCDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000832564648 1034863441 /nfs/dbraw/zinc/86/34/41/1034863441.db2.gz IQJHPTVMTZDXSC-OAHLLOKOSA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@H](CCCO)C2)c(C)n1-c1ccc(F)cn1 ZINC000832787346 1034970973 /nfs/dbraw/zinc/97/09/73/1034970973.db2.gz VLNNVJSRNUEXFE-INIZCTEOSA-N 1 0 359.445 2.905 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)ccc1N(C)C ZINC001139674032 1035195385 /nfs/dbraw/zinc/19/53/85/1035195385.db2.gz LIASFOSUPIPOHF-LJQANCHMSA-N 1 0 352.482 2.850 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000833566304 1035211756 /nfs/dbraw/zinc/21/17/56/1035211756.db2.gz ULTGAMUMSFCZAP-IBGZPJMESA-N 1 0 355.482 2.671 20 10 FFCDRO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)O1 ZINC001140054646 1035323500 /nfs/dbraw/zinc/32/35/00/1035323500.db2.gz VCXPPYMKNKLHNI-BHIYHBOVSA-N 1 0 374.412 2.563 20 10 FFCDRO CCN1CCC2(CC[NH+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001140103031 1035342677 /nfs/dbraw/zinc/34/26/77/1035342677.db2.gz FEZBXUUOQJPULJ-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCc3nnc(CN4CCCCC4)n3CC2)c1O ZINC001140180614 1035371014 /nfs/dbraw/zinc/37/10/14/1035371014.db2.gz ZOMMBQJIQMQXCO-UHFFFAOYSA-N 1 0 369.513 2.645 20 10 FFCDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140285970 1035419004 /nfs/dbraw/zinc/41/90/04/1035419004.db2.gz HFUFAGDHCKXXDS-FQEVSTJZSA-N 1 0 359.514 2.528 20 10 FFCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001140338872 1035443906 /nfs/dbraw/zinc/44/39/06/1035443906.db2.gz AANVEEMVJXLTEO-KUHUBIRLSA-N 1 0 360.841 2.968 20 10 FFCDRO O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140464825 1035485770 /nfs/dbraw/zinc/48/57/70/1035485770.db2.gz CYLXNSCYDZMYGJ-HZPDHXFCSA-N 1 0 357.841 2.645 20 10 FFCDRO CCC[NH+]1C[C@@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]2C1 ZINC001232199488 1035495999 /nfs/dbraw/zinc/49/59/99/1035495999.db2.gz AJVXSJREOQSMLT-QZTJIDSGSA-N 1 0 363.933 2.950 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CCC2(C1)OCCO2 ZINC001232202188 1035497656 /nfs/dbraw/zinc/49/76/56/1035497656.db2.gz SWLZLVHSDIAOPF-INIZCTEOSA-N 1 0 366.889 2.904 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001277204734 1035528269 /nfs/dbraw/zinc/52/82/69/1035528269.db2.gz VMZKNORWQSOHDM-UWJYYQICSA-N 1 0 360.498 2.858 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232259872 1035531135 /nfs/dbraw/zinc/53/11/35/1035531135.db2.gz LWTUPZWHCOTZMZ-MGPUTAFESA-N 1 0 372.852 2.857 20 10 FFCDRO CCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(OC)cc3O)C2)C1=O ZINC001232265175 1035536337 /nfs/dbraw/zinc/53/63/37/1035536337.db2.gz HPOQOHTXHZLXPA-SFHVURJKSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)cc1Cl ZINC001232266339 1035538417 /nfs/dbraw/zinc/53/84/17/1035538417.db2.gz WZXDGNSENHZBHI-UHFFFAOYSA-N 1 0 353.850 2.684 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)cc1Cl ZINC001232265830 1035538903 /nfs/dbraw/zinc/53/89/03/1035538903.db2.gz BIITXZYMCFAXKT-GOSISDBHSA-N 1 0 360.845 2.699 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)C1=O ZINC001277212674 1035572809 /nfs/dbraw/zinc/57/28/09/1035572809.db2.gz KXPKNZYGQKPUKI-IBGZPJMESA-N 1 0 366.889 2.957 20 10 FFCDRO CC[NH+](CC)C[C@H]1CN(Cc2c3ccccc3n(C)c2C(=O)OC)CCO1 ZINC001232410480 1035657409 /nfs/dbraw/zinc/65/74/09/1035657409.db2.gz NUQTVROBMAVSML-INIZCTEOSA-N 1 0 373.497 2.508 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)c1 ZINC001140619929 1035743424 /nfs/dbraw/zinc/74/34/24/1035743424.db2.gz VLQFWWWEPCGWLU-UHFFFAOYSA-N 1 0 365.437 2.672 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c1 ZINC001140620103 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ZINC001262644824 1041772587 /nfs/dbraw/zinc/77/25/87/1041772587.db2.gz ILUWMOREXPVYOJ-LJQANCHMSA-N 1 0 357.502 2.700 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)c1O ZINC001279235495 1042959377 /nfs/dbraw/zinc/95/93/77/1042959377.db2.gz PHHGYLWCDZHGHU-UHFFFAOYSA-N 1 0 371.403 2.789 20 10 FFCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](CCn2ccnc2)C3)c(Cl)c1 ZINC001279333935 1043007714 /nfs/dbraw/zinc/00/77/14/1043007714.db2.gz TUTVAOWUVPVDIW-UHFFFAOYSA-N 1 0 373.932 2.810 20 10 FFCDRO CC[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)Cc1ccccc1O ZINC001237208522 1043053040 /nfs/dbraw/zinc/05/30/40/1043053040.db2.gz CRXYAKCSKBEDRH-UHFFFAOYSA-N 1 0 374.506 2.649 20 10 FFCDRO COc1ccc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1F ZINC001278075048 1043082412 /nfs/dbraw/zinc/08/24/12/1043082412.db2.gz LWOBGSYNQJAACM-UHFFFAOYSA-N 1 0 363.477 2.605 20 10 FFCDRO COc1ccc(N2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1F ZINC001278075503 1043083163 /nfs/dbraw/zinc/08/31/63/1043083163.db2.gz PDXSTLIEZMICON-HXUWFJFHSA-N 1 0 363.477 2.605 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)c(O)c1 ZINC001279427589 1043102316 /nfs/dbraw/zinc/10/23/16/1043102316.db2.gz FACFVCZVWTVGOG-UHFFFAOYSA-N 1 0 356.491 2.957 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N(C)C)c(C)c2)c1 ZINC001237445414 1043170852 /nfs/dbraw/zinc/17/08/52/1043170852.db2.gz VVHARWNFJCQGHY-NRFANRHFSA-N 1 0 367.493 2.994 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC001237488054 1043202664 /nfs/dbraw/zinc/20/26/64/1043202664.db2.gz QBFNLIOQZBQSNQ-FXAWDEMLSA-N 1 0 364.445 2.850 20 10 FFCDRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(C)cccc1O ZINC001237495359 1043206285 /nfs/dbraw/zinc/20/62/85/1043206285.db2.gz QJEOJXASHNKAQQ-LJQANCHMSA-N 1 0 368.477 2.950 20 10 FFCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001279514309 1043209906 /nfs/dbraw/zinc/20/99/06/1043209906.db2.gz PWJPXCMPYNECLT-UHFFFAOYSA-N 1 0 357.376 2.647 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@H](C)C2)c(O)c(OC)c1 ZINC001237674437 1043304043 /nfs/dbraw/zinc/30/40/43/1043304043.db2.gz HOQCKEUAUHMXHE-BDJLRTHQSA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237677369 1043304658 /nfs/dbraw/zinc/30/46/58/1043304658.db2.gz AXKUZHJGSCMINJ-INIZCTEOSA-N 1 0 363.376 2.935 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)c1O ZINC001237680060 1043306696 /nfs/dbraw/zinc/30/66/96/1043306696.db2.gz OVORBWRXRLMBAI-SJORKVTESA-N 1 0 374.872 2.577 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001279596767 1043314867 /nfs/dbraw/zinc/31/48/67/1043314867.db2.gz YNBZXNBPPLWCDE-OAQYLSRUSA-N 1 0 355.482 2.883 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c1O ZINC001238060331 1043506431 /nfs/dbraw/zinc/50/64/31/1043506431.db2.gz HCHLLOZRASWSDA-QFBILLFUSA-N 1 0 360.429 2.766 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)Nc4cn[nH]c4)(C2)C3)cc1 ZINC001279743507 1043572689 /nfs/dbraw/zinc/57/26/89/1043572689.db2.gz LVTQTNYOIVORID-UHFFFAOYSA-N 1 0 353.470 2.907 20 10 FFCDRO c1n[nH]cc1C[N@@H+]1CCC2(C1)CCN(c1ccc3c(c1)OCCO3)CC2 ZINC001279765003 1043608810 /nfs/dbraw/zinc/60/88/10/1043608810.db2.gz LCDIJDINRMZEAZ-UHFFFAOYSA-N 1 0 354.454 2.673 20 10 FFCDRO Cc1cc(C)cc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[O-])c1 ZINC000756386292 1043610015 /nfs/dbraw/zinc/61/00/15/1043610015.db2.gz HNXHRDJDADNLDP-NRFANRHFSA-N 1 0 367.493 2.971 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(N)=O)cc1 ZINC001279853544 1043778649 /nfs/dbraw/zinc/77/86/49/1043778649.db2.gz FLPQEBPPMDPASU-GOSISDBHSA-N 1 0 355.507 2.887 20 10 FFCDRO C[C@@H](NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001238623478 1043794254 /nfs/dbraw/zinc/79/42/54/1043794254.db2.gz AUTAQJLTMQGONI-VMLVDNCVSA-N 1 0 374.466 2.757 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC3(C[NH3+])CC3)cc2)cc1 ZINC001238869086 1043928010 /nfs/dbraw/zinc/92/80/10/1043928010.db2.gz BIBGOMHLQRUBQA-QZQOTICOSA-N 1 0 373.482 2.938 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001279979814 1044024911 /nfs/dbraw/zinc/02/49/11/1044024911.db2.gz GYNSQODJYHHZKG-ALIKPJSESA-N 1 0 362.445 2.620 20 10 FFCDRO COc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c(O)c1 ZINC001279980466 1044028353 /nfs/dbraw/zinc/02/83/53/1044028353.db2.gz NLTWNDCZEODABW-VMBOVVBDSA-N 1 0 362.445 2.620 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C2CC(F)(F)C2)c1O ZINC001279981306 1044029610 /nfs/dbraw/zinc/02/96/10/1044029610.db2.gz JRZCFEPCGYIOMD-ORAYPTAESA-N 1 0 366.408 2.621 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC=CC3)C2)c1O ZINC001279982037 1044030977 /nfs/dbraw/zinc/03/09/77/1044030977.db2.gz UDCJSJKLWNIMJD-DYESRHJHSA-N 1 0 356.466 2.791 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](C2CC2)O1 ZINC001313417058 1044350479 /nfs/dbraw/zinc/35/04/79/1044350479.db2.gz QKCYKSQUMCBMBO-YSGRDPCXSA-N 1 0 374.529 2.564 20 10 FFCDRO O=c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)ccn1Cc1ccc(F)cc1 ZINC001240491950 1044368059 /nfs/dbraw/zinc/36/80/59/1044368059.db2.gz SZGUJHPGQKGBIO-UHFFFAOYSA-N 1 0 364.424 2.507 20 10 FFCDRO O=C(Nc1nnco1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292150 1044558486 /nfs/dbraw/zinc/55/84/86/1044558486.db2.gz HQUVOTLNFFKHDV-KBXCAEBGSA-N 1 0 360.389 2.545 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3n[nH]c(C(=O)NC(C)(C)C)c3C2)c1O ZINC001280346413 1044635775 /nfs/dbraw/zinc/63/57/75/1044635775.db2.gz MCMNIXZCHKZZQK-UHFFFAOYSA-N 1 0 356.470 2.819 20 10 FFCDRO COC(=O)N1CCC[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC001319571101 1045199392 /nfs/dbraw/zinc/19/93/92/1045199392.db2.gz FAIFPGZYDVMILA-UHFFFAOYSA-N 1 0 350.459 2.972 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(O)c1O ZINC001319947043 1045310338 /nfs/dbraw/zinc/31/03/38/1045310338.db2.gz PZWFLFJTQSMWAQ-UHFFFAOYSA-N 1 0 355.438 2.719 20 10 FFCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc1C ZINC001323493935 1045611319 /nfs/dbraw/zinc/61/13/19/1045611319.db2.gz VHMZSYKMJWBBDY-JENIJYKNSA-N 1 0 358.482 2.557 20 10 FFCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001325893126 1046677979 /nfs/dbraw/zinc/67/79/79/1046677979.db2.gz XCZJKVBJGYEOFW-PXNSSMCTSA-N 1 0 359.514 2.902 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnn(C3CCCCC3)c2)cc1 ZINC001326282493 1046847118 /nfs/dbraw/zinc/84/71/18/1046847118.db2.gz RACFMBAJTFEKBU-LJQANCHMSA-N 1 0 355.486 2.884 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2coc(C[NH3+])c2)cc1 ZINC001327107357 1047190887 /nfs/dbraw/zinc/19/08/87/1047190887.db2.gz QMCOQEOWPQQJHE-GOSISDBHSA-N 1 0 357.454 2.626 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccnn2C)C1 ZINC001289920634 1047794442 /nfs/dbraw/zinc/79/44/42/1047794442.db2.gz BTPXNBLTOXANDN-UHFFFAOYSA-N 1 0 365.481 2.804 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001332025542 1048216218 /nfs/dbraw/zinc/21/62/18/1048216218.db2.gz QDLBPMNKMOZBRX-CYBMUJFWSA-N 1 0 374.250 2.657 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H](C2CC2)[NH+](C)C)CCCC1 ZINC001291800845 1048919255 /nfs/dbraw/zinc/91/92/55/1048919255.db2.gz VYMSYCLDMRBARG-NRFANRHFSA-N 1 0 369.509 2.985 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc4n3CC[NH2+][C@@H]4C)CC2)cc1 ZINC001341569421 1050196652 /nfs/dbraw/zinc/19/66/52/1050196652.db2.gz OEIJUZDZTGEIHT-MRXNPFEDSA-N 1 0 368.481 2.513 20 10 FFCDRO Cc1ncsc1/C=C\C(=O)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001341998237 1050594911 /nfs/dbraw/zinc/59/49/11/1050594911.db2.gz AJCPZDMZRIKVSN-SHUKXNKTSA-N 1 0 369.490 2.974 20 10 FFCDRO C[C@@H](NC(=O)c1cc2c(s1)C[NH2+]CC2)c1ccc(N2CCOCC2)cc1 ZINC001340837620 1051177905 /nfs/dbraw/zinc/17/79/05/1051177905.db2.gz BOOHNQRASNNMMI-CQSZACIVSA-N 1 0 371.506 2.721 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CNc3ccccc32)[NH+](C)C)cc1 ZINC001343165380 1051788343 /nfs/dbraw/zinc/78/83/43/1051788343.db2.gz GAKGXYVVJYNJCZ-QUCCMNQESA-N 1 0 352.482 2.681 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CNc3ccccc32)[NH+](C)C)cc1 ZINC001343165378 1051788489 /nfs/dbraw/zinc/78/84/89/1051788489.db2.gz GAKGXYVVJYNJCZ-ICSRJNTNSA-N 1 0 352.482 2.681 20 10 FFCDRO CCO[C@@H]1CCC[C@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001308234627 1052434942 /nfs/dbraw/zinc/43/49/42/1052434942.db2.gz RCDFPRFYUVVUBZ-GHTZIAJQSA-N 1 0 361.530 2.755 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2COCCC2(OC)OC)c(O)c(C(C)(C)C)c1 ZINC001308507187 1052462226 /nfs/dbraw/zinc/46/22/26/1052462226.db2.gz JHGVALOBTSGKDP-MRXNPFEDSA-N 1 0 353.459 2.566 20 10 FFCDRO Cc1ccc(C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001308985883 1052532420 /nfs/dbraw/zinc/53/24/20/1052532420.db2.gz AJVZGSPRYHMMGM-UHFFFAOYSA-N 1 0 350.459 2.552 20 10 FFCDRO CC(C)C[NH2+]CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001346104855 1052750053 /nfs/dbraw/zinc/75/00/53/1052750053.db2.gz KPRAZIXYSRHZSY-AWEZNQCLSA-N 1 0 355.429 2.619 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC001346621998 1053164435 /nfs/dbraw/zinc/16/44/35/1053164435.db2.gz XURCZNXCKHWLFX-IQGASKDCSA-N 1 0 366.509 2.953 20 10 FFCDRO O=S1(=O)C[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)Oc2ccccc21 ZINC001349403954 1055234156 /nfs/dbraw/zinc/23/41/56/1055234156.db2.gz QTDRGBCGBRTVMB-GOSISDBHSA-N 1 0 372.490 2.611 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1O ZINC000848880573 1055292118 /nfs/dbraw/zinc/29/21/18/1055292118.db2.gz QOEXGFYEMAPYBA-UHFFFAOYSA-N 1 0 350.466 2.920 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c1O ZINC000848884098 1055301010 /nfs/dbraw/zinc/30/10/10/1055301010.db2.gz XDDSWJSCUKJTBN-UHFFFAOYSA-N 1 0 356.441 2.981 20 10 FFCDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCc1ccccc1 ZINC000848921142 1055368100 /nfs/dbraw/zinc/36/81/00/1055368100.db2.gz OUZDMCWEYPKGSQ-SFHVURJKSA-N 1 0 367.493 2.660 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC001200095902 1055684663 /nfs/dbraw/zinc/68/46/63/1055684663.db2.gz ORGFEHUYPHYZCR-UHFFFAOYSA-N 1 0 374.573 2.955 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])cc1 ZINC001357336993 1055868517 /nfs/dbraw/zinc/86/85/17/1055868517.db2.gz GHDPGZLNLHSZIQ-KRWDZBQOSA-N 1 0 355.486 2.795 20 10 FFCDRO Cc1cc(C(=O)N(CCC[NH3+])CC(F)(F)F)c(C)n1-c1ccccn1 ZINC001353081743 1056061954 /nfs/dbraw/zinc/06/19/54/1056061954.db2.gz ZCLOBOLOBUWOAC-UHFFFAOYSA-N 1 0 354.376 2.842 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4oc(=O)[nH]c43)c2)CC1 ZINC000847750416 1056532257 /nfs/dbraw/zinc/53/22/57/1056532257.db2.gz VMPBRTMYJXNRQO-UHFFFAOYSA-N 1 0 366.421 2.928 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(CC2CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001517150487 1060373693 /nfs/dbraw/zinc/37/36/93/1060373693.db2.gz YDZNNCWRIAXCOW-GOSISDBHSA-N 1 0 369.513 2.913 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848640567 1060385179 /nfs/dbraw/zinc/38/51/79/1060385179.db2.gz RYAQIVDNPNGZSN-AYOQOUSVSA-N 1 0 359.514 2.663 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)o1 ZINC000876665474 1061162419 /nfs/dbraw/zinc/16/24/19/1061162419.db2.gz BUBCARDIPSNEND-QGZVFWFLSA-N 1 0 356.470 2.719 20 10 FFCDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461418590 1061314960 /nfs/dbraw/zinc/31/49/60/1061314960.db2.gz XWWZIQHKPKBMFE-IBGZPJMESA-N 1 0 351.510 2.710 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c(O)c1 ZINC001461955195 1061460857 /nfs/dbraw/zinc/46/08/57/1061460857.db2.gz IFBNPIKSBHVHNE-QFBILLFUSA-N 1 0 359.514 2.513 20 10 FFCDRO C[C@@H]1[C@@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@@H+]1C ZINC001476769047 1061475565 /nfs/dbraw/zinc/47/55/65/1061475565.db2.gz YVADZATWEKSPHH-KGLIPLIRSA-N 1 0 350.426 2.610 20 10 FFCDRO CC(C)c1ccc(O)c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC001462258145 1061557684 /nfs/dbraw/zinc/55/76/84/1061557684.db2.gz XHBRNDYEFOSAHN-INIZCTEOSA-N 1 0 352.475 2.833 20 10 FFCDRO CC[C@@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@H](O)C(C)C ZINC001462345506 1061589308 /nfs/dbraw/zinc/58/93/08/1061589308.db2.gz CQQZLAFSXHHPBV-CRAIPNDOSA-N 1 0 350.434 2.989 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc([C@@H]2CCC[N@H+](C)C2)n1CC1CC1 ZINC001527786182 1061623288 /nfs/dbraw/zinc/62/32/88/1061623288.db2.gz WKGIOPWYGYDVGG-QGZVFWFLSA-N 1 0 355.486 2.839 20 10 FFCDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(Br)cc(C)c1O ZINC001462612516 1061691174 /nfs/dbraw/zinc/69/11/74/1061691174.db2.gz JPRYGTTXZYUZCX-CQSZACIVSA-N 1 0 355.276 2.858 20 10 FFCDRO Cc1cc(CC(=O)NCC(C)(C)N2CCOCC2)c(C)n1-c1ccccc1 ZINC001530045809 1062477497 /nfs/dbraw/zinc/47/74/97/1062477497.db2.gz WZQXDFXZJJSMEM-UHFFFAOYSA-N 1 0 369.509 2.864 20 10 FFCDRO CC1CCC(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001533682917 1063372873 /nfs/dbraw/zinc/37/28/73/1063372873.db2.gz GGHGHRTZZPNBPT-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNc3ccccc3Cl)cc2)CC1 ZINC001471563372 1064717592 /nfs/dbraw/zinc/71/75/92/1064717592.db2.gz FAEQJLLZVXXLAP-UHFFFAOYSA-N 1 0 372.900 2.820 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nc3cnccc3s2)[NH+](C)C)cc1 ZINC001472280555 1064998364 /nfs/dbraw/zinc/99/83/64/1064998364.db2.gz GGGJCWXXZLZQJE-MRXNPFEDSA-N 1 0 369.494 2.790 20 10 FFCDRO C[C@H](NC(=O)COc1ccc(CCC[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC001576195224 1078203292 /nfs/dbraw/zinc/20/32/92/1078203292.db2.gz LFJNHNVIHCVPRQ-INIZCTEOSA-N 1 0 355.482 2.900 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)c1 ZINC001474531560 1065544414 /nfs/dbraw/zinc/54/44/14/1065544414.db2.gz NYOCACIYKAIBIQ-UHFFFAOYSA-N 1 0 373.453 2.920 20 10 FFCDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001576385625 1078222741 /nfs/dbraw/zinc/22/27/41/1078222741.db2.gz ZXSSXSGGOXLRPF-ZIAGYGMSSA-N 1 0 350.426 2.644 20 10 FFCDRO C[NH2+]C[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001578668749 1078512685 /nfs/dbraw/zinc/51/26/85/1078512685.db2.gz BCJDWUGLQSZZFP-QGZVFWFLSA-N 1 0 370.545 2.870 20 10 FFCDRO Oc1ccccc1CN(Cc1nc2c(s1)C[NH2+]CC2)C[C@H]1CCCO1 ZINC001580887992 1078887243 /nfs/dbraw/zinc/88/72/43/1078887243.db2.gz CIWABXJIWLSWCU-OAHLLOKOSA-N 1 0 359.495 2.676 20 10 FFCDRO CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968276 1076314511 /nfs/dbraw/zinc/31/45/11/1076314511.db2.gz JAHPEERSHYABJT-CABCVRRESA-N 1 0 361.392 2.675 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001562375575 1076491470 /nfs/dbraw/zinc/49/14/70/1076491470.db2.gz BAJRIDFWQOFAHO-UHFFFAOYSA-N 1 0 370.501 2.709 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C4CCC4)C3)cc2)CC1 ZINC001565273102 1076708007 /nfs/dbraw/zinc/70/80/07/1076708007.db2.gz MLLKCBBTAXECML-LJQANCHMSA-N 1 0 356.514 2.770 20 10 FFCDRO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC001566154648 1076925996 /nfs/dbraw/zinc/92/59/96/1076925996.db2.gz FKXMAGLISXDWFB-CQSZACIVSA-N 1 0 367.440 2.715 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000066940604 506705286 /nfs/dbraw/zinc/70/52/86/506705286.db2.gz JIWKNJOFULBUDU-IBGZPJMESA-N 1 0 357.429 2.619 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784402 507559683 /nfs/dbraw/zinc/55/96/83/507559683.db2.gz JAVJNBNDNIFAKM-HNNXBMFYSA-N 1 0 361.511 2.854 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1O ZINC000091686239 508002341 /nfs/dbraw/zinc/00/23/41/508002341.db2.gz YLSOFBBXGKXUEK-MRXNPFEDSA-N 1 0 355.438 2.955 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585759 508084722 /nfs/dbraw/zinc/08/47/22/508084722.db2.gz CCOSTUIDIMWZBA-CYBMUJFWSA-N 1 0 364.467 2.631 20 10 FFCDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101629737 508251283 /nfs/dbraw/zinc/25/12/83/508251283.db2.gz ADKPMRQTEHTFGZ-KSZLIROESA-N 1 0 359.514 2.743 20 10 FFCDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000153039900 508541837 /nfs/dbraw/zinc/54/18/37/508541837.db2.gz QARZRQQWCVZEBP-CQSZACIVSA-N 1 0 365.449 2.544 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000119914550 508888447 /nfs/dbraw/zinc/88/84/47/508888447.db2.gz NMMSDYXHPPDUHQ-HDICACEKSA-N 1 0 361.530 2.753 20 10 FFCDRO CC[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[NH+](C)C ZINC000160844548 509039425 /nfs/dbraw/zinc/03/94/25/509039425.db2.gz IVECIRIXBNAGPH-MRXNPFEDSA-N 1 0 355.429 2.713 20 10 FFCDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000161295183 509098389 /nfs/dbraw/zinc/09/83/89/509098389.db2.gz OUUITSBMTSRVSW-HRAATJIYSA-N 1 0 356.466 2.916 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2F)CC1 ZINC000121410445 509172617 /nfs/dbraw/zinc/17/26/17/509172617.db2.gz FPVLXWDQYKDHQY-DBVUQKKJSA-N 1 0 360.473 2.834 20 10 FFCDRO CC[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+](CC)CC ZINC000266931263 509264321 /nfs/dbraw/zinc/26/43/21/509264321.db2.gz ZAFWOLKBBOCKBZ-HXUWFJFHSA-N 1 0 361.530 2.632 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)N1CCOCC1 ZINC000162666305 509277676 /nfs/dbraw/zinc/27/76/76/509277676.db2.gz QQEJIVMUKKFPHG-UHFFFAOYSA-N 1 0 371.525 2.748 20 10 FFCDRO CCCN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000163348361 509365216 /nfs/dbraw/zinc/36/52/16/509365216.db2.gz MUTJIFSWDUEBAG-VMPITWQZSA-N 1 0 357.498 2.527 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000186050413 509499924 /nfs/dbraw/zinc/49/99/24/509499924.db2.gz JMGADFDYKRUPIS-UGSOOPFHSA-N 1 0 358.413 2.992 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000186078683 509511119 /nfs/dbraw/zinc/51/11/19/509511119.db2.gz YHRFQQFSIOPHQF-AWEZNQCLSA-N 1 0 356.422 2.867 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1O ZINC000173408214 509579053 /nfs/dbraw/zinc/57/90/53/509579053.db2.gz DTDXTUFLFVHGGI-MRXNPFEDSA-N 1 0 361.417 2.642 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166291090 509601080 /nfs/dbraw/zinc/60/10/80/509601080.db2.gz JDRCHXWMBLQSCD-JKSUJKDBSA-N 1 0 353.413 2.500 20 10 FFCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166534532 509610597 /nfs/dbraw/zinc/61/05/97/509610597.db2.gz UYARJYYTCPVVBV-ZOBUZTSGSA-N 1 0 352.450 2.507 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000237452383 509651025 /nfs/dbraw/zinc/65/10/25/509651025.db2.gz LHYDWJCSXURPIC-QGZVFWFLSA-N 1 0 353.466 2.904 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNCc3csc(C)n3)CC2)cc1 ZINC000170686501 509720379 /nfs/dbraw/zinc/72/03/79/509720379.db2.gz XBRLMFUEQDGHKT-UHFFFAOYSA-N 1 0 360.527 2.762 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183473566 509811875 /nfs/dbraw/zinc/81/18/75/509811875.db2.gz ZWOOEOKBBBAJRK-QGZVFWFLSA-N 1 0 353.466 2.782 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180417604 509916664 /nfs/dbraw/zinc/91/66/64/509916664.db2.gz MBWTWSQOWCLEDW-CQSZACIVSA-N 1 0 356.426 2.628 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000268930729 510144792 /nfs/dbraw/zinc/14/47/92/510144792.db2.gz MCKGZSONLACXHN-KRWDZBQOSA-N 1 0 359.514 2.965 20 10 FFCDRO Nc1ccc(CC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000269296724 510329489 /nfs/dbraw/zinc/32/94/89/510329489.db2.gz ODEDKLAIMYRVKT-UHFFFAOYSA-N 1 0 366.509 2.530 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181309324 510349343 /nfs/dbraw/zinc/34/93/43/510349343.db2.gz RVOXALPMGABDEM-DUXPYHPUSA-N 1 0 353.422 2.539 20 10 FFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000184697966 510470117 /nfs/dbraw/zinc/47/01/17/510470117.db2.gz JOMDNXDBSDCQLN-JKSUJKDBSA-N 1 0 355.862 2.806 20 10 FFCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000269916960 510596585 /nfs/dbraw/zinc/59/65/85/510596585.db2.gz JTCFIYDTXPAYBM-RDJZCZTQSA-N 1 0 366.255 2.729 20 10 FFCDRO Cn1cc(-c2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)on2)cn1 ZINC000185032868 510645176 /nfs/dbraw/zinc/64/51/76/510645176.db2.gz TUVQOKFWLKQFBP-KRWDZBQOSA-N 1 0 368.437 2.962 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270116320 510683225 /nfs/dbraw/zinc/68/32/25/510683225.db2.gz FBXFEWFKVLHFTC-KRWDZBQOSA-N 1 0 362.493 2.765 20 10 FFCDRO O=C(CC1CC[NH2+]CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834008 510796121 /nfs/dbraw/zinc/79/61/21/510796121.db2.gz COSLAXAQPFCMGR-HNNXBMFYSA-N 1 0 367.440 2.763 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000195369501 510801769 /nfs/dbraw/zinc/80/17/69/510801769.db2.gz WTTJTRDJPJABBN-UHFFFAOYSA-N 1 0 357.498 2.608 20 10 FFCDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000247132497 510842686 /nfs/dbraw/zinc/84/26/86/510842686.db2.gz ATJJNVMMJDBJJE-UQIDSAAFSA-N 1 0 356.441 2.971 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)C[N@@H+]1C1CC1 ZINC000277613659 510967037 /nfs/dbraw/zinc/96/70/37/510967037.db2.gz VWCLQSQGPXVKTG-PWSUYJOCSA-N 1 0 368.275 2.579 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278677818 511002999 /nfs/dbraw/zinc/00/29/99/511002999.db2.gz OOVJMGCJWOSRIL-ZDUSSCGKSA-N 1 0 366.889 2.933 20 10 FFCDRO C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000294258768 511004883 /nfs/dbraw/zinc/00/48/83/511004883.db2.gz NTJLRKNZTHXHFT-UHFFFAOYSA-N 1 0 355.885 2.833 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1O ZINC000287027185 511038665 /nfs/dbraw/zinc/03/86/65/511038665.db2.gz LOGLECYGJUGYJS-ZIAGYGMSSA-N 1 0 366.508 2.958 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000287597846 511053015 /nfs/dbraw/zinc/05/30/15/511053015.db2.gz YPNKOMPONOLWHT-ZDUSSCGKSA-N 1 0 350.846 2.693 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)CN1 ZINC000279490572 511101884 /nfs/dbraw/zinc/10/18/84/511101884.db2.gz UVECUMGSHBXNQW-OAQYLSRUSA-N 1 0 352.434 2.683 20 10 FFCDRO Oc1ccc(F)cc1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000289779942 511114903 /nfs/dbraw/zinc/11/49/03/511114903.db2.gz LBTLHVIMNHZRPS-UHFFFAOYSA-N 1 0 359.445 2.651 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC000294706777 511150411 /nfs/dbraw/zinc/15/04/11/511150411.db2.gz DIXQGXMDQMYLRV-ZDUSSCGKSA-N 1 0 350.459 2.523 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)Cc2ccc(OC)c(OC)c2)c1 ZINC000290940547 511154422 /nfs/dbraw/zinc/15/44/22/511154422.db2.gz PXDVRVAUXDFTCV-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CC2(OCCOC)CCOCC2)cc1 ZINC000294804088 511183286 /nfs/dbraw/zinc/18/32/86/511183286.db2.gz NEZJCGRXZBZPQV-UHFFFAOYSA-N 1 0 350.503 2.835 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000291686561 511298162 /nfs/dbraw/zinc/29/81/62/511298162.db2.gz XROBUAJIEIVHFV-GFCCVEGCSA-N 1 0 360.376 2.681 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cc(F)ncc3F)cc2F)CC1 ZINC000295189039 511314661 /nfs/dbraw/zinc/31/46/61/511314661.db2.gz NTQDROKACLSHNX-UHFFFAOYSA-N 1 0 364.415 2.931 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)ccc21 ZINC000365410510 511433900 /nfs/dbraw/zinc/43/39/00/511433900.db2.gz PIZKQIIEHMJFBM-UHFFFAOYSA-N 1 0 356.514 2.885 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000295790244 511515668 /nfs/dbraw/zinc/51/56/68/511515668.db2.gz ZMEWEYZAEKUAAV-UONOGXRCSA-N 1 0 356.397 2.515 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)c1O ZINC000292793132 511721988 /nfs/dbraw/zinc/72/19/88/511721988.db2.gz MRGYSTRXYLSBAF-APWZRJJASA-N 1 0 363.454 2.581 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000297247654 512075106 /nfs/dbraw/zinc/07/51/06/512075106.db2.gz QKMCINAKLGFKTH-JXMROGBWSA-N 1 0 351.450 2.895 20 10 FFCDRO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000367701450 512622816 /nfs/dbraw/zinc/62/28/16/512622816.db2.gz KWAQCDVUESNJEQ-QGZVFWFLSA-N 1 0 358.404 2.803 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000370616381 513016896 /nfs/dbraw/zinc/01/68/96/513016896.db2.gz SSKGVNFZNLZRMM-FUHWJXTLSA-N 1 0 359.514 2.901 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000368627354 513033930 /nfs/dbraw/zinc/03/39/30/513033930.db2.gz WOWOWCSBLJHEJY-HNNXBMFYSA-N 1 0 359.470 2.996 20 10 FFCDRO CCC[C@@](C)([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370782175 513097201 /nfs/dbraw/zinc/09/72/01/513097201.db2.gz RNHJEFSIGNJSNT-GOSISDBHSA-N 1 0 355.429 2.891 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC[C@H]2C)C1 ZINC000435972253 513729659 /nfs/dbraw/zinc/72/96/59/513729659.db2.gz CFAVEYONLADAHU-APWZRJJASA-N 1 0 369.509 2.949 20 10 FFCDRO CCn1cnnc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000552670635 517342835 /nfs/dbraw/zinc/34/28/35/517342835.db2.gz VQXJUWQJHOYGFC-UHFFFAOYSA-N 1 0 366.469 2.658 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000527946483 518004743 /nfs/dbraw/zinc/00/47/43/518004743.db2.gz DTLQPZURRNOTOZ-IFXJQAMLSA-N 1 0 368.905 2.620 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C(=O)[O-])CC3)cc2F)CC1 ZINC000820353777 598105800 /nfs/dbraw/zinc/10/58/00/598105800.db2.gz CCAKKTBBOGERGY-UHFFFAOYSA-N 1 0 363.477 2.701 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)ccc1OC ZINC000821383957 599456220 /nfs/dbraw/zinc/45/62/20/599456220.db2.gz NBOAKBYMLFTFIW-UHFFFAOYSA-N 1 0 371.416 2.841 20 10 FFCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429260 608550041 /nfs/dbraw/zinc/55/00/41/608550041.db2.gz ZTRZHPIHEZIYFX-GFCCVEGCSA-N 1 0 367.409 2.884 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000154901050 728814846 /nfs/dbraw/zinc/81/48/46/728814846.db2.gz ZKJBPCLOUHYDNC-MRXNPFEDSA-N 1 0 367.559 2.998 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000155541213 728831426 /nfs/dbraw/zinc/83/14/26/728831426.db2.gz RBTBFHXWNBLWPM-LBPRGKRZSA-N 1 0 371.275 2.511 20 10 FFCDRO CN(c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1)S(C)(=O)=O ZINC000898287571 735336842 /nfs/dbraw/zinc/33/68/42/735336842.db2.gz YJMHWVBUZMBLRH-UHFFFAOYSA-N 1 0 354.859 2.731 20 10 FFCDRO CN(C)c1ccc([C@H](CNCc2nc(Br)c[nH]2)[NH+](C)C)cc1 ZINC000898447202 735362095 /nfs/dbraw/zinc/36/20/95/735362095.db2.gz GWSMZRCLPYHRRM-AWEZNQCLSA-N 1 0 366.307 2.631 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000745593831 735431316 /nfs/dbraw/zinc/43/13/16/735431316.db2.gz YKHQDXQVFRUCIY-NVXWUHKLSA-N 1 0 362.543 2.522 20 10 FFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079406658 728312670 /nfs/dbraw/zinc/31/26/70/728312670.db2.gz WDUUPUJSGAKZKH-AWEZNQCLSA-N 1 0 350.434 2.862 20 10 FFCDRO CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203158 728394890 /nfs/dbraw/zinc/39/48/90/728394890.db2.gz ZBALPTJAVLQYSF-AWEZNQCLSA-N 1 0 355.429 2.713 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093010764 728473157 /nfs/dbraw/zinc/47/31/57/728473157.db2.gz OZKCIBNBHUUOAW-MRXNPFEDSA-N 1 0 369.303 2.841 20 10 FFCDRO Oc1ccc(Br)cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179623879 729190618 /nfs/dbraw/zinc/19/06/18/729190618.db2.gz IAWMUXQNSMHMCM-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000182423887 729277527 /nfs/dbraw/zinc/27/75/27/729277527.db2.gz RLXJOJKRWKJXBT-SNVBAGLBSA-N 1 0 364.471 2.839 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2cc(F)cc(F)c2)c1 ZINC000182435574 729277885 /nfs/dbraw/zinc/27/78/85/729277885.db2.gz IKJYIXVKZIQUHC-NSHDSACASA-N 1 0 350.365 2.646 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc1F ZINC000184967741 729338347 /nfs/dbraw/zinc/33/83/47/729338347.db2.gz QYDMEPGQKQCSDD-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO CCN(CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O)S(C)(=O)=O ZINC000194187724 729502284 /nfs/dbraw/zinc/50/22/84/729502284.db2.gz ZGTUNBGJLFLYNP-AWEZNQCLSA-N 1 0 350.484 2.868 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000779007095 738428888 /nfs/dbraw/zinc/42/88/88/738428888.db2.gz UVAPHDXDRZFHJY-QWRGUYRKSA-N 1 0 362.289 2.548 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCSc3nccs3)CC[C@H]21 ZINC000246743306 729590169 /nfs/dbraw/zinc/59/01/69/729590169.db2.gz GVFFUSJCIGXTSH-UONOGXRCSA-N 1 0 354.545 2.751 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924718478 738441205 /nfs/dbraw/zinc/44/12/05/738441205.db2.gz YWIXDOKLNGKHIM-IYOUNJFTSA-N 1 0 352.450 2.680 20 10 FFCDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858106471 730416688 /nfs/dbraw/zinc/41/66/88/730416688.db2.gz JPOMEHBKLMIFCH-CQSZACIVSA-N 1 0 366.259 2.511 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000858136290 730417504 /nfs/dbraw/zinc/41/75/04/730417504.db2.gz OIGUZKMKYMTDRU-AWEZNQCLSA-N 1 0 369.303 2.888 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858186659 730419109 /nfs/dbraw/zinc/41/91/09/730419109.db2.gz IIISGTOPAVUIBO-JMSVASOKSA-N 1 0 358.276 2.810 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(Cl)c1 ZINC000858306959 730422335 /nfs/dbraw/zinc/42/23/35/730422335.db2.gz XCRZVVADFKPSFV-INIZCTEOSA-N 1 0 361.873 2.740 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c2c1c(F)ccc2O ZINC000858499126 730427294 /nfs/dbraw/zinc/42/72/94/730427294.db2.gz YJJXIYRJQWNEJB-ZRJCITRHSA-N 1 0 356.463 2.530 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c2c1c(F)ccc2O ZINC000858499124 730427348 /nfs/dbraw/zinc/42/73/48/730427348.db2.gz YJJXIYRJQWNEJB-FMKGYKFTSA-N 1 0 356.463 2.530 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1O ZINC000858564299 730428932 /nfs/dbraw/zinc/42/89/32/730428932.db2.gz KBCWSRCHKJHBGA-WMLDXEAASA-N 1 0 361.873 2.992 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161905 738484294 /nfs/dbraw/zinc/48/42/94/738484294.db2.gz RMGNSBANPHFSMP-QWHCGFSZSA-N 1 0 351.401 2.736 20 10 FFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247769 730681284 /nfs/dbraw/zinc/68/12/84/730681284.db2.gz BVGHVLYZSBUWSH-ROUUACIJSA-N 1 0 354.441 2.783 20 10 FFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862351664 730691025 /nfs/dbraw/zinc/69/10/25/730691025.db2.gz PNPXSGKLOPYAJA-AWEZNQCLSA-N 1 0 353.457 2.716 20 10 FFCDRO COC(C)(C)c1nsc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000865295582 730936102 /nfs/dbraw/zinc/93/61/02/730936102.db2.gz IKCUBZSUKBBJJD-UHFFFAOYSA-N 1 0 361.515 2.784 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865777741 730996410 /nfs/dbraw/zinc/99/64/10/730996410.db2.gz BLRSTZAHVIZZTR-LBPRGKRZSA-N 1 0 356.260 2.830 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000877093722 732323125 /nfs/dbraw/zinc/32/31/25/732323125.db2.gz CVVRLVANDURGPG-FXAWDEMLSA-N 1 0 362.539 2.792 20 10 FFCDRO CCCN(Cc1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C[NH3+])cc1 ZINC000877478249 732369455 /nfs/dbraw/zinc/36/94/55/732369455.db2.gz LRQGYSYHOXFBOW-UHFFFAOYSA-N 1 0 367.902 2.863 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccnc3Cl)cc2)CC1 ZINC000878414714 732528810 /nfs/dbraw/zinc/52/88/10/732528810.db2.gz SFCFHVZXEBYXSC-UHFFFAOYSA-N 1 0 359.861 2.809 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880314928 732885865 /nfs/dbraw/zinc/88/58/65/732885865.db2.gz HHDMTVFPLZZBON-MRXNPFEDSA-N 1 0 358.511 2.657 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000926872216 738663572 /nfs/dbraw/zinc/66/35/72/738663572.db2.gz BDSLMDUAZFDVTB-JLYLLQBASA-N 1 0 359.539 2.905 20 10 FFCDRO CC(C)c1ncsc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853274 733120533 /nfs/dbraw/zinc/12/05/33/733120533.db2.gz PAUBYGVVHBRHSF-UHFFFAOYSA-N 1 0 358.511 2.948 20 10 FFCDRO COCc1sccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854308 733120636 /nfs/dbraw/zinc/12/06/36/733120636.db2.gz AXEMLCRVYBISAO-UHFFFAOYSA-N 1 0 359.495 2.576 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1 ZINC000883173135 733345873 /nfs/dbraw/zinc/34/58/73/733345873.db2.gz CSNMHEVLJPKXBY-IEBWSBKVSA-N 1 0 350.528 2.771 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883269417 733357380 /nfs/dbraw/zinc/35/73/80/733357380.db2.gz JLZBRYUWOSNSLM-LBPRGKRZSA-N 1 0 370.243 2.697 20 10 FFCDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(Br)ccc1O ZINC000883308695 733366304 /nfs/dbraw/zinc/36/63/04/733366304.db2.gz VUAILOPIIFGNNV-ZYHUDNBSSA-N 1 0 362.289 2.773 20 10 FFCDRO CCSC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883778611 733438011 /nfs/dbraw/zinc/43/80/11/733438011.db2.gz DZXDDWDZKLKAGD-UHFFFAOYSA-N 1 0 362.543 2.523 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725897639 734398155 /nfs/dbraw/zinc/39/81/55/734398155.db2.gz SSXRWHAQYOAIIK-HOTGVXAUSA-N 1 0 359.495 2.749 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)c2nccs2)[NH+](C)C)cc1 ZINC000891247239 734403955 /nfs/dbraw/zinc/40/39/55/734403955.db2.gz RWOUORYIUZZULP-INIZCTEOSA-N 1 0 360.527 2.906 20 10 FFCDRO CC(C)c1nnc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891250585 734405045 /nfs/dbraw/zinc/40/50/45/734405045.db2.gz XPXLVKCMGPAGQK-OAHLLOKOSA-N 1 0 361.515 2.760 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)cc1 ZINC000891566397 734446576 /nfs/dbraw/zinc/44/65/76/734446576.db2.gz NRYPUUSOHRBQJV-HIFRSBDPSA-N 1 0 373.328 2.848 20 10 FFCDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000892883717 734618039 /nfs/dbraw/zinc/61/80/39/734618039.db2.gz DITFVQRTPQBSEZ-UHFFFAOYSA-N 1 0 369.893 2.734 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c(O)c1OC ZINC000893208522 734668644 /nfs/dbraw/zinc/66/86/44/734668644.db2.gz IRDKGFIKZRKOAD-AWEZNQCLSA-N 1 0 353.484 2.944 20 10 FFCDRO CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC000894085846 734798687 /nfs/dbraw/zinc/79/86/87/734798687.db2.gz VIBZIVMFJDXQGN-UHFFFAOYSA-N 1 0 353.457 2.661 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1F ZINC000733330798 734809415 /nfs/dbraw/zinc/80/94/15/734809415.db2.gz NVKVRBYNYMDMEZ-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO CN(c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1)S(C)(=O)=O ZINC000733326702 734809618 /nfs/dbraw/zinc/80/96/18/734809618.db2.gz UMNMMYPGTZNKBI-UHFFFAOYSA-N 1 0 354.859 2.731 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000894452237 734860393 /nfs/dbraw/zinc/86/03/93/734860393.db2.gz AUKKWTKZWRJDFR-OAHLLOKOSA-N 1 0 362.857 2.796 20 10 FFCDRO CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1CC ZINC000896061380 735095860 /nfs/dbraw/zinc/09/58/60/735095860.db2.gz CCIVAJYMDZRPBE-SCLBCKFNSA-N 1 0 355.406 2.523 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCS1 ZINC000896705492 735180639 /nfs/dbraw/zinc/18/06/39/735180639.db2.gz MNFOSNLWQDRQFZ-HFTRVMKXSA-N 1 0 364.559 2.939 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2S(C)(=O)=O)c1O ZINC000896814317 735184504 /nfs/dbraw/zinc/18/45/04/735184504.db2.gz MVGVWRSUWBWKHV-UHFFFAOYSA-N 1 0 369.870 2.790 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000896978387 735190543 /nfs/dbraw/zinc/19/05/43/735190543.db2.gz OZKWRAKCQUNMND-IBGZPJMESA-N 1 0 350.459 2.552 20 10 FFCDRO OCCOC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC(C(F)F)CC1 ZINC000897539452 735244257 /nfs/dbraw/zinc/24/42/57/735244257.db2.gz CJVUSAGRLYAAHL-UHFFFAOYSA-N 1 0 355.425 2.914 20 10 FFCDRO NS(=O)(=O)c1ccc(C2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000897571975 735250030 /nfs/dbraw/zinc/25/00/30/735250030.db2.gz DMHQEIDNAWVYRF-UHFFFAOYSA-N 1 0 364.442 2.558 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1c1cccc(Cl)c1 ZINC000749926545 735760256 /nfs/dbraw/zinc/76/02/56/735760256.db2.gz MTAJCXFRKLLHCK-AWEZNQCLSA-N 1 0 360.797 2.669 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903534874 736109400 /nfs/dbraw/zinc/10/94/00/736109400.db2.gz UIPIBLOOCXKYAJ-OLZOCXBDSA-N 1 0 350.768 2.960 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000756523636 736338655 /nfs/dbraw/zinc/33/86/55/736338655.db2.gz CYHGDQMLZMPTAJ-XJKSGUPXSA-N 1 0 353.894 2.639 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1O ZINC000757659108 736416796 /nfs/dbraw/zinc/41/67/96/736416796.db2.gz YSDCBOJIKPEKDF-SWLSCSKDSA-N 1 0 362.861 2.621 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000760452350 736640483 /nfs/dbraw/zinc/64/04/83/736640483.db2.gz XIAKSMRKLLYMPF-NSHDSACASA-N 1 0 358.154 2.566 20 10 FFCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CCOC1 ZINC000763571100 736948686 /nfs/dbraw/zinc/94/86/86/736948686.db2.gz HKACYZLVHMLCPT-KSSFIOAISA-N 1 0 354.878 2.633 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)NCc2cccc(Br)c2O)CC1 ZINC000764790947 737050175 /nfs/dbraw/zinc/05/01/75/737050175.db2.gz LAIPQQZRRMSXPW-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO CN(C)c1cc[nH+]cc1C(=O)NCc1cccc(Br)c1O ZINC000765731243 737150236 /nfs/dbraw/zinc/15/02/36/737150236.db2.gz IMTYAYSKMVKUMR-UHFFFAOYSA-N 1 0 350.216 2.546 20 10 FFCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765787297 737158443 /nfs/dbraw/zinc/15/84/43/737158443.db2.gz DAWCXIVUHCGJOZ-HOTGVXAUSA-N 1 0 367.921 2.548 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765859367 737167827 /nfs/dbraw/zinc/16/78/27/737167827.db2.gz KERIGWDHTPEIBA-HZPDHXFCSA-N 1 0 367.921 2.548 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1OC ZINC000766032152 737184889 /nfs/dbraw/zinc/18/48/89/737184889.db2.gz PPRBCSKSATWCAM-AWEZNQCLSA-N 1 0 351.443 2.963 20 10 FFCDRO CO[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416586 737724744 /nfs/dbraw/zinc/72/47/44/737724744.db2.gz IIIFDQKQMPPGAL-DOTOQJQBSA-N 1 0 354.878 2.797 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107970 737871781 /nfs/dbraw/zinc/87/17/81/737871781.db2.gz SBXZUDNTUKESQC-AAEUAGOBSA-N 1 0 350.356 2.626 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)CC1 ZINC000774188481 737967718 /nfs/dbraw/zinc/96/77/18/737967718.db2.gz SKZYPGWTVQDDGN-SFHVURJKSA-N 1 0 360.479 2.682 20 10 FFCDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000775820098 738129366 /nfs/dbraw/zinc/12/93/66/738129366.db2.gz SWFPDJFTEPGIDI-WCQYABFASA-N 1 0 352.406 2.690 20 10 FFCDRO CNS(=O)(=O)CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776009999 738151527 /nfs/dbraw/zinc/15/15/27/738151527.db2.gz LDRZJEOQEMIKLU-INIZCTEOSA-N 1 0 362.495 2.895 20 10 FFCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000776258025 738174981 /nfs/dbraw/zinc/17/49/81/738174981.db2.gz PAMJYMRULUPWPR-INIZCTEOSA-N 1 0 350.478 2.941 20 10 FFCDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000777565409 738301139 /nfs/dbraw/zinc/30/11/39/738301139.db2.gz TZLCRZFZZYCHCO-AWEZNQCLSA-N 1 0 356.388 2.771 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@@H]1C ZINC000787419999 739135455 /nfs/dbraw/zinc/13/54/55/739135455.db2.gz BSVRYZZIDZJEOV-BXKDBHETSA-N 1 0 358.232 2.547 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)C1CC[NH+](C2CC2)CC1 ZINC000787583246 739148595 /nfs/dbraw/zinc/14/85/95/739148595.db2.gz YMLHNJYCXGMEPK-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO CO[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000792237982 739653978 /nfs/dbraw/zinc/65/39/78/739653978.db2.gz LXYDUZUZRDIPPV-WBVHZDCISA-N 1 0 352.862 2.551 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)CN1CCOCC1 ZINC000792993186 739727703 /nfs/dbraw/zinc/72/77/03/739727703.db2.gz WIYRPPVSMMSECQ-CQSZACIVSA-N 1 0 359.436 2.829 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2c(C)nc3sccn3c2=O)c1 ZINC000795988269 740087319 /nfs/dbraw/zinc/08/73/19/740087319.db2.gz YVPVPFPYUHHLIC-LLVKDONJSA-N 1 0 359.451 2.672 20 10 FFCDRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)ccc2O)CCCC1 ZINC000805178553 740947675 /nfs/dbraw/zinc/94/76/75/740947675.db2.gz QUHGMIWNJKMQKX-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)ccc1N1CCOCC1 ZINC000806132505 741042638 /nfs/dbraw/zinc/04/26/38/741042638.db2.gz WXWBEWLFTQRBPW-CJNGLKHVSA-N 1 0 362.367 2.862 20 10 FFCDRO COc1cc(C)cc(C[N@H+](C)CCn2cc(Br)cn2)c1O ZINC000808242884 741202581 /nfs/dbraw/zinc/20/25/81/741202581.db2.gz OOLLPPQREMCAOW-UHFFFAOYSA-N 1 0 354.248 2.800 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000809702383 741334118 /nfs/dbraw/zinc/33/41/18/741334118.db2.gz SKSMKAPDWOUBJB-IUODEOHRSA-N 1 0 360.907 2.552 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000809703128 741334156 /nfs/dbraw/zinc/33/41/56/741334156.db2.gz FAPPIPGHVWEAKS-SNVBAGLBSA-N 1 0 362.289 2.518 20 10 FFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000811864436 741568820 /nfs/dbraw/zinc/56/88/20/741568820.db2.gz ABPFOHJBFSJDRE-INIZCTEOSA-N 1 0 364.559 2.768 20 10 FFCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000813860475 741769235 /nfs/dbraw/zinc/76/92/35/741769235.db2.gz JFPCKGVVOFUPGU-RDJZCZTQSA-N 1 0 365.905 2.657 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000814171405 741800386 /nfs/dbraw/zinc/80/03/86/741800386.db2.gz NHSKJCGMZARPNE-IBGZPJMESA-N 1 0 367.559 2.779 20 10 FFCDRO Cc1sccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000815126816 741904210 /nfs/dbraw/zinc/90/42/10/741904210.db2.gz SBRVSFKOEGBQPZ-UHFFFAOYSA-N 1 0 350.509 2.581 20 10 FFCDRO C[C@@H]1C[C@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000817860670 742218407 /nfs/dbraw/zinc/21/84/07/742218407.db2.gz RARLPTPIDNMSIJ-VNHYZAJKSA-N 1 0 358.511 2.762 20 10 FFCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290650 742368936 /nfs/dbraw/zinc/36/89/36/742368936.db2.gz KELWGLLJNDYSEC-DOTOQJQBSA-N 1 0 370.921 2.690 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825113336 743211253 /nfs/dbraw/zinc/21/12/53/743211253.db2.gz ADTYXKGIIMKPGI-UHFFFAOYSA-N 1 0 360.907 2.648 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000825173388 743222106 /nfs/dbraw/zinc/22/21/06/743222106.db2.gz KDRWLLATHSPSRR-NSHDSACASA-N 1 0 353.182 2.881 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825278855 743239674 /nfs/dbraw/zinc/23/96/74/743239674.db2.gz JTMXTWSXXUDWOB-CYBMUJFWSA-N 1 0 370.291 2.699 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(Br)cc1O ZINC000825721266 743318019 /nfs/dbraw/zinc/31/80/19/743318019.db2.gz OZVDTJMBBAAAOY-CYBMUJFWSA-N 1 0 369.303 2.840 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000825803907 743329474 /nfs/dbraw/zinc/32/94/74/743329474.db2.gz MFSBLPKQPAATFR-CZUORRHYSA-N 1 0 370.287 2.812 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)CO2 ZINC000827066909 743498298 /nfs/dbraw/zinc/49/82/98/743498298.db2.gz VWCABXXKPUUSAF-AWEZNQCLSA-N 1 0 368.861 2.914 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCNC(=O)CC1 ZINC000827944597 745004997 /nfs/dbraw/zinc/00/49/97/745004997.db2.gz KHYVHECGNXPXGD-GFCCVEGCSA-N 1 0 355.276 2.893 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c(O)c1 ZINC000834839561 745911973 /nfs/dbraw/zinc/91/19/73/745911973.db2.gz AZIMJVFGVJUOKL-LBPRGKRZSA-N 1 0 351.244 2.976 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000834882851 745918823 /nfs/dbraw/zinc/91/88/23/745918823.db2.gz UBJMJCZNGZGBFS-GFCCVEGCSA-N 1 0 352.431 2.632 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000834892931 745921145 /nfs/dbraw/zinc/92/11/45/745921145.db2.gz XPJNVAHNMIIHQY-AWEZNQCLSA-N 1 0 367.511 2.515 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000835036878 745936321 /nfs/dbraw/zinc/93/63/21/745936321.db2.gz SESKPAFHODVQCI-HZQHCPKGSA-N 1 0 361.555 2.563 20 10 FFCDRO OCCC[N@H+](CCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838832599 746719562 /nfs/dbraw/zinc/71/95/62/746719562.db2.gz FKFFFQAZCAXJDY-UHFFFAOYSA-N 1 0 371.319 2.616 20 10 FFCDRO CN(C)c1ncc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000839146285 746787945 /nfs/dbraw/zinc/78/79/45/746787945.db2.gz BHJUDNIIGHITKT-UHFFFAOYSA-N 1 0 368.453 2.614 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000840780140 747181250 /nfs/dbraw/zinc/18/12/50/747181250.db2.gz IVICRZOADXZBJB-HNNXBMFYSA-N 1 0 368.905 2.886 20 10 FFCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840888735 747213630 /nfs/dbraw/zinc/21/36/30/747213630.db2.gz BVRSZUDOCYAHDY-ZIAGYGMSSA-N 1 0 353.894 2.740 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000840947553 747238433 /nfs/dbraw/zinc/23/84/33/747238433.db2.gz WWPPDGCTBGTEKZ-CQSZACIVSA-N 1 0 357.420 2.952 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCn1cc(Br)ccc1=O ZINC000840949668 747239095 /nfs/dbraw/zinc/23/90/95/747239095.db2.gz AHLDKQURWCGALA-UHFFFAOYSA-N 1 0 364.287 2.775 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]CCCNCc1cccnc1 ZINC000841043186 747259872 /nfs/dbraw/zinc/25/98/72/747259872.db2.gz TUBSWUNQMNWCIN-UHFFFAOYSA-N 1 0 350.260 2.819 20 10 FFCDRO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000841099868 747268985 /nfs/dbraw/zinc/26/89/85/747268985.db2.gz PSCLZZZZBAIGOH-RHSMWYFYSA-N 1 0 369.849 2.672 20 10 FFCDRO CC[NH2+]CC1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000841848210 747475822 /nfs/dbraw/zinc/47/58/22/747475822.db2.gz BWFZXUSBBSFVKV-UHFFFAOYSA-N 1 0 358.511 2.778 20 10 FFCDRO Cc1cccc(Cl)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784267 747686542 /nfs/dbraw/zinc/68/65/42/747686542.db2.gz DPPVSJCIJUDLBH-MRXNPFEDSA-N 1 0 367.902 2.693 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Cl)cc1O ZINC000842884716 747714535 /nfs/dbraw/zinc/71/45/35/747714535.db2.gz UOUMDXGFIXTHSC-DGCLKSJQSA-N 1 0 367.854 2.931 20 10 FFCDRO Cc1cc(C(=O)N(C)CCC[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843348304 747814087 /nfs/dbraw/zinc/81/40/87/747814087.db2.gz CFJIKCJANPMVJG-UHFFFAOYSA-N 1 0 365.275 2.672 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[NH2+]C4(CCC4)C3)cs2)cc1 ZINC000843502569 747845231 /nfs/dbraw/zinc/84/52/31/747845231.db2.gz FFLWVPWPOUNQNT-HNNXBMFYSA-N 1 0 356.495 2.721 20 10 FFCDRO COCC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000843832926 747906990 /nfs/dbraw/zinc/90/69/90/747906990.db2.gz YMBBENSRHAGNOA-MRXNPFEDSA-N 1 0 366.889 2.943 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)c1O ZINC000848529471 748950773 /nfs/dbraw/zinc/95/07/73/748950773.db2.gz VGNPPONDMLXYKP-MWODSPESSA-N 1 0 364.305 2.926 20 10 FFCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531571 748951582 /nfs/dbraw/zinc/95/15/82/748951582.db2.gz SPHDGBHQOHIBQV-BMIGLBTASA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000848534295 748952703 /nfs/dbraw/zinc/95/27/03/748952703.db2.gz ONRCTRZFVGDHIO-BMQDGWLCSA-N 1 0 371.275 2.858 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1O ZINC000848903148 749031518 /nfs/dbraw/zinc/03/15/18/749031518.db2.gz NLFIWCLHMCMURP-UHFFFAOYSA-N 1 0 360.479 2.784 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000850137326 749309872 /nfs/dbraw/zinc/30/98/72/749309872.db2.gz NAYDOWXWOHFNNI-KKBVYLPWSA-N 1 0 366.889 2.797 20 10 FFCDRO COc1cc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850302917 749338834 /nfs/dbraw/zinc/33/88/34/749338834.db2.gz PHEAKYINRWXEAV-INIZCTEOSA-N 1 0 368.543 2.998 20 10 FFCDRO COc1cc(C[NH2+]C[C@H]2CCCCN2CCO)c(O)c(C(C)(C)C)c1 ZINC000850312922 749339612 /nfs/dbraw/zinc/33/96/12/749339612.db2.gz ILDORKYVCZAXIK-MRXNPFEDSA-N 1 0 350.503 2.635 20 10 FFCDRO Cc1ccc(CN(C[C@@H]2C[NH2+]CCO2)c2ccc3c(c2)OCCO3)s1 ZINC000852744881 749942652 /nfs/dbraw/zinc/94/26/52/749942652.db2.gz KJAXKMFJIWTVKH-INIZCTEOSA-N 1 0 360.479 2.823 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000394127117 845861425 /nfs/dbraw/zinc/86/14/25/845861425.db2.gz CUHXJZRJPVXXHG-OCCSQVGLSA-N 1 0 354.422 2.818 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1C ZINC000397433955 845867755 /nfs/dbraw/zinc/86/77/55/845867755.db2.gz MGMFXGLQIYOUDZ-MRXNPFEDSA-N 1 0 350.459 2.729 20 10 FFCDRO COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000895580710 970765461 /nfs/dbraw/zinc/76/54/61/970765461.db2.gz KWEYHKAYWRZUOS-QGZVFWFLSA-N 1 0 372.465 2.782 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000840256004 970859564 /nfs/dbraw/zinc/85/95/64/970859564.db2.gz OLUCYTCEMXEVMR-IRXDYDNUSA-N 1 0 358.530 2.776 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)cc1OC ZINC000895799538 970967349 /nfs/dbraw/zinc/96/73/49/970967349.db2.gz SLYUBJKXLCPXES-INIZCTEOSA-N 1 0 365.470 2.865 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1O ZINC000895814422 970981103 /nfs/dbraw/zinc/98/11/03/970981103.db2.gz SBKGAWCOXCSTPD-UHFFFAOYSA-N 1 0 367.493 2.946 20 10 FFCDRO COC1CCC(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000896054309 971201865 /nfs/dbraw/zinc/20/18/65/971201865.db2.gz RVSFXNMNYCWPKY-UHFFFAOYSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCc2ccnn2-c2ccccc2)cc1OC ZINC000896275603 971383467 /nfs/dbraw/zinc/38/34/67/971383467.db2.gz KLIURNPIIUQZMK-UHFFFAOYSA-N 1 0 353.422 2.927 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cc(C3CC3)no2)[NH+](C)C)cc1 ZINC000896491872 971510512 /nfs/dbraw/zinc/51/05/12/971510512.db2.gz CZOWFMHKFOLYAP-LJQANCHMSA-N 1 0 371.485 2.720 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3c(C)noc3C)CC2)cc1 ZINC000237270827 971867920 /nfs/dbraw/zinc/86/79/20/971867920.db2.gz KBYOEBFZOIHFEJ-UHFFFAOYSA-N 1 0 358.486 2.602 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccn(C)c3C)cc2F)CC1 ZINC000195248458 971935754 /nfs/dbraw/zinc/93/57/54/971935754.db2.gz UKPMPXXFOGMQSA-UHFFFAOYSA-N 1 0 358.461 2.545 20 10 FFCDRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275896103 1013157261 /nfs/dbraw/zinc/15/72/61/1013157261.db2.gz SZFFJYUUYMJKSI-IBGZPJMESA-N 1 0 366.889 2.753 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)cnc3F)cc2F)CC1 ZINC001125975781 972318529 /nfs/dbraw/zinc/31/85/29/972318529.db2.gz AQMLGHSUYATAHL-UHFFFAOYSA-N 1 0 374.435 2.740 20 10 FFCDRO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]cc3C3CC3)cc2)CC1 ZINC000872518612 1013221595 /nfs/dbraw/zinc/22/15/95/1013221595.db2.gz XTOKBZNXNDNRMF-UHFFFAOYSA-N 1 0 350.466 2.662 20 10 FFCDRO COC(=O)/C=C\c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378149 962521056 /nfs/dbraw/zinc/52/10/56/962521056.db2.gz DPFLCNJYLOZVQA-XFXZXTDPSA-N 1 0 352.434 2.607 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1Cn1cccn1 ZINC000873050264 1013364227 /nfs/dbraw/zinc/36/42/27/1013364227.db2.gz LNZKRJVSCTVWNC-FQEVSTJZSA-N 1 0 370.497 2.677 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001276064256 1013386922 /nfs/dbraw/zinc/38/69/22/1013386922.db2.gz RAVOIBAITKHWCX-FQEVSTJZSA-N 1 0 362.445 2.548 20 10 FFCDRO CCOCCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276064017 1013387206 /nfs/dbraw/zinc/38/72/06/1013387206.db2.gz OSZNXEXLGHKAQJ-UHFFFAOYSA-N 1 0 364.461 2.772 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnc(C(F)(F)F)cn3)cc2)CC1 ZINC001167422820 963011191 /nfs/dbraw/zinc/01/11/91/963011191.db2.gz CLBVIXZOKZDIGR-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1Cn1cccn1 ZINC000873141298 1013400054 /nfs/dbraw/zinc/40/00/54/1013400054.db2.gz CPRYKVWMEKVZFE-KRWDZBQOSA-N 1 0 364.440 2.759 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(F)c2[O-])N1CC1CCOCC1 ZINC001276086834 1013428040 /nfs/dbraw/zinc/42/80/40/1013428040.db2.gz UZQBFXAJBMWCPJ-QZTJIDSGSA-N 1 0 362.445 2.523 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@H](O)c2ccc(C)o2)c2cc(F)ccc2n1C ZINC000894301846 964378098 /nfs/dbraw/zinc/37/80/98/964378098.db2.gz XZSYTSABEZIMLT-INIZCTEOSA-N 1 0 360.385 2.829 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCCN2C(=O)COc3ccccc32)c1O ZINC000894316037 964675691 /nfs/dbraw/zinc/67/56/91/964675691.db2.gz UYHRZSLXMWKRNS-UHFFFAOYSA-N 1 0 356.422 2.615 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000894361413 965008716 /nfs/dbraw/zinc/00/87/16/965008716.db2.gz IDJQIXCTTCOXHY-AWEZNQCLSA-N 1 0 353.422 2.597 20 10 FFCDRO Cc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000729432870 965105932 /nfs/dbraw/zinc/10/59/32/965105932.db2.gz PCZQZYURQQGXLR-SFHVURJKSA-N 1 0 370.497 2.672 20 10 FFCDRO COC(=O)/C=C\c1ccc(N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000255474649 966098399 /nfs/dbraw/zinc/09/83/99/966098399.db2.gz LVSSWSFEUITOMW-CLFYSBASSA-N 1 0 373.409 2.942 20 10 FFCDRO Cc1[nH+]c2cc(NCc3cc(C)c(C)cc3O)ccc2n1C(CO)CO ZINC000894927357 967107684 /nfs/dbraw/zinc/10/76/84/967107684.db2.gz UQDHYSPNNGNRTA-UHFFFAOYSA-N 1 0 355.438 2.805 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3SCC(N)=O)cc2)CC1 ZINC000892319945 967143739 /nfs/dbraw/zinc/14/37/39/967143739.db2.gz RELHCOYIAZQQAE-UHFFFAOYSA-N 1 0 370.522 2.628 20 10 FFCDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000874196942 1013784874 /nfs/dbraw/zinc/78/48/74/1013784874.db2.gz ATUAXSKHFZXEDB-UZLBHIALSA-N 1 0 357.498 2.717 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)cc1C ZINC001024163335 968749767 /nfs/dbraw/zinc/74/97/67/968749767.db2.gz DSIHJJIJQHNSFK-BPAFIMBUSA-N 1 0 360.498 2.757 20 10 FFCDRO COC(=O)c1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000179763616 969049486 /nfs/dbraw/zinc/04/94/86/969049486.db2.gz KDPYQARJMWLGEU-UHFFFAOYSA-N 1 0 354.450 2.942 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000255955107 969736448 /nfs/dbraw/zinc/73/64/48/969736448.db2.gz NWRQZVVEVQPFIN-YLJYHZDGSA-N 1 0 359.514 2.854 20 10 FFCDRO COC(=O)c1c[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000892667769 969748200 /nfs/dbraw/zinc/74/82/00/969748200.db2.gz BBVKYYTYWPJQLC-UHFFFAOYSA-N 1 0 369.465 2.805 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000892916709 970370854 /nfs/dbraw/zinc/37/08/54/970370854.db2.gz IDIHLOQORBKHJI-KRWDZBQOSA-N 1 0 361.486 2.697 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237264029 970539135 /nfs/dbraw/zinc/53/91/35/970539135.db2.gz GFHXGCUUIXVXLU-ZWKOTPCHSA-N 1 0 359.514 2.760 20 10 FFCDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875546267 1014043373 /nfs/dbraw/zinc/04/33/73/1014043373.db2.gz VGBRLTDNALAPDF-KRWDZBQOSA-N 1 0 351.450 2.940 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCC(C)(C)C3)CC2)cc1 ZINC000796531936 1014178636 /nfs/dbraw/zinc/17/86/36/1014178636.db2.gz MZRCDFRBHZXCLD-SFHVURJKSA-N 1 0 359.514 2.854 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](CC[NH3+])C(F)F)CCCC1 ZINC000653144865 1014237024 /nfs/dbraw/zinc/23/70/24/1014237024.db2.gz JSUQGZDZVIUJMM-OAHLLOKOSA-N 1 0 365.424 2.627 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000653143529 1014237029 /nfs/dbraw/zinc/23/70/29/1014237029.db2.gz RKCLJEXDKQCYLB-KXBFYZLASA-N 1 0 367.493 2.739 20 10 FFCDRO C/C(=C/c1ccncc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608432 975907363 /nfs/dbraw/zinc/90/73/63/975907363.db2.gz UJYZQBOELPYBNM-ICFOKQHNSA-N 1 0 350.466 2.553 20 10 FFCDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876552892 1014301605 /nfs/dbraw/zinc/30/16/05/1014301605.db2.gz HIWXPODIEGTHFS-UHFFFAOYSA-N 1 0 367.493 2.525 20 10 FFCDRO CN(C(=O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1)C1CCCCC1 ZINC000876576822 1014310271 /nfs/dbraw/zinc/31/02/71/1014310271.db2.gz QPYROFGKWBUETA-UHFFFAOYSA-N 1 0 373.541 2.871 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)N(C)C)cc1 ZINC000898451652 976462136 /nfs/dbraw/zinc/46/21/36/976462136.db2.gz MUDLRDGCVLFXLT-NRFANRHFSA-N 1 0 364.497 2.930 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2c3c(nn2C)CCSC3)N(C)C)cc1 ZINC000898447735 976468975 /nfs/dbraw/zinc/46/89/75/976468975.db2.gz LABCGAPMXYEWNK-IBGZPJMESA-N 1 0 373.570 2.668 20 10 FFCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876627325 1014331987 /nfs/dbraw/zinc/33/19/87/1014331987.db2.gz QNZXQPIXUYZSJD-GOSISDBHSA-N 1 0 354.498 2.761 20 10 FFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876655506 1014341369 /nfs/dbraw/zinc/34/13/69/1014341369.db2.gz MGMQXXCQJBBNAR-IBGZPJMESA-N 1 0 373.541 2.776 20 10 FFCDRO CCOC1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899097604 976905713 /nfs/dbraw/zinc/90/57/13/976905713.db2.gz CHMJSGCOPQLLME-LJQANCHMSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)[NH+](C)C)cc1 ZINC000899101364 976912276 /nfs/dbraw/zinc/91/22/76/976912276.db2.gz JQPZVLDEMXKIBU-LJQANCHMSA-N 1 0 370.497 2.903 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000899103186 976914297 /nfs/dbraw/zinc/91/42/97/976914297.db2.gz XHOIIIQZYUIQTM-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccncc2)[NH+](C)C)cc1 ZINC000899103305 976914875 /nfs/dbraw/zinc/91/48/75/976914875.db2.gz YSINLACJSRRZII-IBGZPJMESA-N 1 0 355.486 2.592 20 10 FFCDRO Oc1ccccc1C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C1CCCC1 ZINC000876722448 1014364649 /nfs/dbraw/zinc/36/46/49/1014364649.db2.gz UYROFJWRBRWPPV-INIZCTEOSA-N 1 0 356.470 2.965 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876757026 1014378813 /nfs/dbraw/zinc/37/88/13/1014378813.db2.gz AEFLTVSFBIVAFI-UHFFFAOYSA-N 1 0 355.394 2.567 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccccc1C ZINC000796579046 1014382535 /nfs/dbraw/zinc/38/25/35/1014382535.db2.gz BAQPWEJOCMWKFK-OAQYLSRUSA-N 1 0 353.466 2.783 20 10 FFCDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(N2CCOCC2)cc1 ZINC000876986798 1014441083 /nfs/dbraw/zinc/44/10/83/1014441083.db2.gz LCGWDMYJHLNKMP-NXVRBGIVSA-N 1 0 371.441 2.682 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000877034377 1014456639 /nfs/dbraw/zinc/45/66/39/1014456639.db2.gz GTFFRAMZJFNOLX-QVKFZJNVSA-N 1 0 358.457 2.999 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCOCC2)cc1 ZINC000054152837 978293952 /nfs/dbraw/zinc/29/39/52/978293952.db2.gz OLWQBEGYPXOBSX-NRFANRHFSA-N 1 0 368.477 2.793 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000697036339 979151422 /nfs/dbraw/zinc/15/14/22/979151422.db2.gz JFWFQHODBQVKKV-UHFFFAOYSA-N 1 0 363.502 2.916 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001272003208 979515636 /nfs/dbraw/zinc/51/56/36/979515636.db2.gz VFRDFKWDQAPHRK-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1 ZINC001272003485 979530884 /nfs/dbraw/zinc/53/08/84/979530884.db2.gz XVFMJZVMNLVMCI-GOOCMWNKSA-N 1 0 373.478 2.788 20 10 FFCDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877521434 1014610861 /nfs/dbraw/zinc/61/08/61/1014610861.db2.gz YKIRGUKMPOMKHH-GOSISDBHSA-N 1 0 359.514 2.528 20 10 FFCDRO Cn1ncc2ccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cc21 ZINC000877542279 1014619726 /nfs/dbraw/zinc/61/97/26/1014619726.db2.gz MAEFNLAILAWVAY-UHFFFAOYSA-N 1 0 350.466 2.824 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC000877598172 1014640869 /nfs/dbraw/zinc/64/08/69/1014640869.db2.gz JWYAVBCUVSJSQY-HNNXBMFYSA-N 1 0 357.454 2.734 20 10 FFCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]1CCCC2 ZINC000877617481 1014648601 /nfs/dbraw/zinc/64/86/01/1014648601.db2.gz XELRKCAFSNGQDG-XMSQKQJNSA-N 1 0 372.509 2.813 20 10 FFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000905480134 980443986 /nfs/dbraw/zinc/44/39/86/980443986.db2.gz CAAUEYADGCXAFD-OAQYLSRUSA-N 1 0 367.493 2.520 20 10 FFCDRO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001272047860 980699495 /nfs/dbraw/zinc/69/94/95/980699495.db2.gz CSXMLWBYMASTHB-BMFZPTHFSA-N 1 0 362.470 2.919 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000237392042 981542905 /nfs/dbraw/zinc/54/29/05/981542905.db2.gz XZUHYRPGUSVGOU-QGZVFWFLSA-N 1 0 363.465 2.955 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000031730243 981860345 /nfs/dbraw/zinc/86/03/45/981860345.db2.gz FUHCJUGXVGPDDO-UHFFFAOYSA-N 1 0 352.482 2.610 20 10 FFCDRO CCCC1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000760310901 982341439 /nfs/dbraw/zinc/34/14/39/982341439.db2.gz HFAGHKJEBUPZLX-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000841947054 982455507 /nfs/dbraw/zinc/45/55/07/982455507.db2.gz MNZPMCBSQLZYAE-IBGZPJMESA-N 1 0 356.470 2.795 20 10 FFCDRO O[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1Cc1ccccc1 ZINC000898140519 982626067 /nfs/dbraw/zinc/62/60/67/982626067.db2.gz UCBGQJZVUHTXFC-NFBKMPQASA-N 1 0 366.505 2.683 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000878239953 1014938537 /nfs/dbraw/zinc/93/85/37/1014938537.db2.gz CIRKTDGSOKYEQQ-KCZVDYSFSA-N 1 0 371.477 2.858 20 10 FFCDRO CCOc1cc(NC2CC[NH+](Cc3cc(OC)ccc3O)CC2)ncn1 ZINC000185664681 983983006 /nfs/dbraw/zinc/98/30/06/983983006.db2.gz ZXXIMDDNGXIPES-UHFFFAOYSA-N 1 0 358.442 2.666 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000763990863 984073263 /nfs/dbraw/zinc/07/32/63/984073263.db2.gz YDBOQLHCAGAGBM-IBGZPJMESA-N 1 0 359.514 2.746 20 10 FFCDRO Cc1c[nH]c(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000913211400 984208562 /nfs/dbraw/zinc/20/85/62/984208562.db2.gz JRHDHYXIFQCJDN-UHFFFAOYSA-N 1 0 365.481 2.756 20 10 FFCDRO C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1 ZINC000760818827 984531721 /nfs/dbraw/zinc/53/17/21/984531721.db2.gz SNIKNWLDBBZJMJ-FMQWLBJXSA-N 1 0 374.444 2.999 20 10 FFCDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000158056367 984742675 /nfs/dbraw/zinc/74/26/75/984742675.db2.gz JZBNVHHBVZVTCN-QGZVFWFLSA-N 1 0 362.518 2.566 20 10 FFCDRO COc1cc(O)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000761222723 984932908 /nfs/dbraw/zinc/93/29/08/984932908.db2.gz MAVKQYYCHCXGQN-UHFFFAOYSA-N 1 0 360.454 2.986 20 10 FFCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(C)(C)O1 ZINC000765253739 985006518 /nfs/dbraw/zinc/00/65/18/985006518.db2.gz LWHYBYYLLLAFKC-FUHWJXTLSA-N 1 0 359.514 2.824 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1 ZINC000921576147 985408891 /nfs/dbraw/zinc/40/88/91/985408891.db2.gz WXDSCFQETDBTFM-IBGZPJMESA-N 1 0 367.493 2.995 20 10 FFCDRO CC(C)(O)C[NH+]1CCN(Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000172910011 985710443 /nfs/dbraw/zinc/71/04/43/985710443.db2.gz QYAOMBCOTWFUDW-UHFFFAOYSA-N 1 0 358.482 2.906 20 10 FFCDRO O=C1NCCN1Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922316938 988398930 /nfs/dbraw/zinc/39/89/30/988398930.db2.gz BPXQEHPGXYFUNK-UHFFFAOYSA-N 1 0 351.450 2.827 20 10 FFCDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(O)c3O)cc2)C[C@@H](C)O1 ZINC000186913591 989377736 /nfs/dbraw/zinc/37/77/36/989377736.db2.gz TXCNMZDXMKEZAJ-HUUCEWRRSA-N 1 0 370.449 2.637 20 10 FFCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000916839887 989997600 /nfs/dbraw/zinc/99/76/00/989997600.db2.gz MYVPRZKGFMDUCB-HNNXBMFYSA-N 1 0 360.458 2.686 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)COc1ccc2c(c1)OCO2 ZINC000920410141 990844084 /nfs/dbraw/zinc/84/40/84/990844084.db2.gz WGTKOKZEEOKMON-SFHVURJKSA-N 1 0 370.449 2.545 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000921052589 990963432 /nfs/dbraw/zinc/96/34/32/990963432.db2.gz FPCBHHGGNPGICA-DOTOQJQBSA-N 1 0 356.466 2.909 20 10 FFCDRO Oc1c(CNc2ccc(OC3C[NH2+]C3)cn2)cc(Cl)c2cccnc12 ZINC001168525391 991180397 /nfs/dbraw/zinc/18/03/97/991180397.db2.gz BZVILRIJAYZEAA-UHFFFAOYSA-N 1 0 356.813 2.952 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H](CC[NH3+])c3ccccc32)cc1 ZINC000923555863 991249931 /nfs/dbraw/zinc/24/99/31/991249931.db2.gz SYSHYYYAUKWQPP-GOSISDBHSA-N 1 0 366.509 2.664 20 10 FFCDRO CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648674 1015626009 /nfs/dbraw/zinc/62/60/09/1015626009.db2.gz YWAIRDBRXSUTOF-CQSZACIVSA-N 1 0 355.438 2.820 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(C)c(F)c1)cc2=O ZINC000181350062 991739106 /nfs/dbraw/zinc/73/91/06/991739106.db2.gz MNKLKRWWIOHMAO-GFCCVEGCSA-N 1 0 372.400 2.910 20 10 FFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069797034 991892205 /nfs/dbraw/zinc/89/22/05/991892205.db2.gz DIGJLSFVPRRSID-MRXNPFEDSA-N 1 0 362.514 2.940 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001236981688 991981985 /nfs/dbraw/zinc/98/19/85/991981985.db2.gz NQCPUIWMHMFIBA-LLVKDONJSA-N 1 0 353.182 2.799 20 10 FFCDRO CCOCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182414765 992043499 /nfs/dbraw/zinc/04/34/99/992043499.db2.gz ACGHDNVKKREOKO-OAHLLOKOSA-N 1 0 372.465 2.904 20 10 FFCDRO O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NCc1ccccc1 ZINC000070975666 992364262 /nfs/dbraw/zinc/36/42/62/992364262.db2.gz WYQABPIXNOTZHX-IBGZPJMESA-N 1 0 354.450 2.690 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001272707174 992498398 /nfs/dbraw/zinc/49/83/98/992498398.db2.gz QTMUSWLGGBGTSB-KBPBESRZSA-N 1 0 372.387 2.658 20 10 FFCDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc4c(cc3O)OCO4)c2c1 ZINC000808452398 994122104 /nfs/dbraw/zinc/12/21/04/994122104.db2.gz HRXIXRJTPJJYCA-UHFFFAOYSA-N 1 0 355.350 2.843 20 10 FFCDRO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1C ZINC000809538672 994534977 /nfs/dbraw/zinc/53/49/77/994534977.db2.gz QJXHLGVRQJZUGS-QGZVFWFLSA-N 1 0 358.438 2.699 20 10 FFCDRO [NH3+]CCN(Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000809728107 994581846 /nfs/dbraw/zinc/58/18/46/994581846.db2.gz LAAMPTZLCMISOA-UHFFFAOYSA-N 1 0 374.416 2.536 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2c(C)nc3ccccn3c2=O)c1 ZINC000809971752 994647798 /nfs/dbraw/zinc/64/77/98/994647798.db2.gz JMKRMXXKGOZTEJ-CYBMUJFWSA-N 1 0 353.422 2.610 20 10 FFCDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000809980690 994657612 /nfs/dbraw/zinc/65/76/12/994657612.db2.gz QYBCYBCAEASFNS-OAHLLOKOSA-N 1 0 350.466 2.962 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593297125 994701444 /nfs/dbraw/zinc/70/14/44/994701444.db2.gz RJMRNBWBQREEQQ-KSSFIOAISA-N 1 0 370.449 2.508 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000810165351 994714160 /nfs/dbraw/zinc/71/41/60/994714160.db2.gz PHBITTOAABMANY-FCHUYYIVSA-N 1 0 352.478 2.779 20 10 FFCDRO C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001132902249 995198642 /nfs/dbraw/zinc/19/86/42/995198642.db2.gz JBTREROOMTYRHX-XLIONFOSSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ncccc3F)C[C@H]2C)cc1C ZINC001082706692 995312235 /nfs/dbraw/zinc/31/22/35/995312235.db2.gz DNNHYMMSKFHMAJ-DNVCBOLYSA-N 1 0 371.456 2.717 20 10 FFCDRO C[C@@H]1Cc2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc2O1 ZINC001133123489 995332926 /nfs/dbraw/zinc/33/29/26/995332926.db2.gz NWPFGOLIZHIROU-MRXNPFEDSA-N 1 0 365.477 2.692 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000730087578 996836524 /nfs/dbraw/zinc/83/65/24/996836524.db2.gz WDLCOJLCLUAFRC-NHCUHLMSSA-N 1 0 367.493 2.765 20 10 FFCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000824583216 997016582 /nfs/dbraw/zinc/01/65/82/997016582.db2.gz JNNJEBREFPEXML-HXUWFJFHSA-N 1 0 370.493 2.908 20 10 FFCDRO OCCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824583143 997016952 /nfs/dbraw/zinc/01/69/52/997016952.db2.gz IFNJTDJRDWSYHF-HXUWFJFHSA-N 1 0 370.493 2.908 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC000826846856 1016101420 /nfs/dbraw/zinc/10/14/20/1016101420.db2.gz ZRGKNTGERPOIDW-HNNXBMFYSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000825130544 997225486 /nfs/dbraw/zinc/22/54/86/997225486.db2.gz YYEAOZGLZRDZOQ-OXJNMPFZSA-N 1 0 357.450 2.943 20 10 FFCDRO CCOc1cccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)c1O ZINC000825305545 997305197 /nfs/dbraw/zinc/30/51/97/997305197.db2.gz MXCOFKOYRNZEHI-UHFFFAOYSA-N 1 0 360.454 2.718 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844173617 997693211 /nfs/dbraw/zinc/69/32/11/997693211.db2.gz LTGCDZOQAHTRPQ-UHFFFAOYSA-N 1 0 369.534 2.932 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]([NH3+])c3ccc(C)cc3)CC2)cc1 ZINC000844180083 997696799 /nfs/dbraw/zinc/69/67/99/997696799.db2.gz AFRCOBULZFJWLF-HXUWFJFHSA-N 1 0 353.466 2.789 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(-c3cnn(C)c3C)no2)cc1 ZINC000844401464 997862230 /nfs/dbraw/zinc/86/22/30/997862230.db2.gz NXIDEQCCHJPDHH-UHFFFAOYSA-N 1 0 369.469 2.960 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)C1 ZINC000844520188 997968142 /nfs/dbraw/zinc/96/81/42/997968142.db2.gz WYZUZUXPYJLGMR-QGZVFWFLSA-N 1 0 362.518 2.505 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000845023351 998300317 /nfs/dbraw/zinc/30/03/17/998300317.db2.gz TUPDSZLASZYVGH-SJLPKXTDSA-N 1 0 362.518 2.646 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3[O-])CC[C@@H]21 ZINC001144308014 998305342 /nfs/dbraw/zinc/30/53/42/998305342.db2.gz GXPLWRJNWRGWBL-HZMBPMFUSA-N 1 0 371.250 2.737 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500700 998609286 /nfs/dbraw/zinc/60/92/86/998609286.db2.gz ZMQDBXKEAPYHPC-SFHVURJKSA-N 1 0 352.431 2.683 20 10 FFCDRO CN(C)C(=O)c1cccc(CN(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732411127 998660220 /nfs/dbraw/zinc/66/02/20/998660220.db2.gz PZECJUMRIRBVAW-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C)C[C@@H]3CCCC[C@@H]31)cc2=O ZINC000735871179 999502613 /nfs/dbraw/zinc/50/26/13/999502613.db2.gz DFAKTYLVJSWAJO-WWGRRREGSA-N 1 0 358.442 2.765 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000739033817 999639367 /nfs/dbraw/zinc/63/93/67/999639367.db2.gz CXYZJYWOJBIPOC-SFHVURJKSA-N 1 0 356.514 2.911 20 10 FFCDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000741054190 999705684 /nfs/dbraw/zinc/70/56/84/999705684.db2.gz JMMGYVJLOUCCEA-OALUTQOASA-N 1 0 361.530 2.846 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1 ZINC000741678387 999737337 /nfs/dbraw/zinc/73/73/37/999737337.db2.gz QUXYUXRWAQRKHK-HNNXBMFYSA-N 1 0 362.518 2.977 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742390983 999771550 /nfs/dbraw/zinc/77/15/50/999771550.db2.gz XYTZTGKIEYALRH-OXJNMPFZSA-N 1 0 367.497 2.694 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000742492429 999775604 /nfs/dbraw/zinc/77/56/04/999775604.db2.gz ZIWBVPDNOZDDOZ-CQSZACIVSA-N 1 0 373.419 2.522 20 10 FFCDRO COCCOC[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000743380971 999816080 /nfs/dbraw/zinc/81/60/80/999816080.db2.gz WUZZVQTZMFNOKO-OAHLLOKOSA-N 1 0 373.449 2.817 20 10 FFCDRO CN(C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000743392939 999816801 /nfs/dbraw/zinc/81/68/01/999816801.db2.gz DQXZEWCHBVENGV-CQSZACIVSA-N 1 0 364.442 2.952 20 10 FFCDRO CCOC(=O)[C@H]1CC[C@@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407135 1000044096 /nfs/dbraw/zinc/04/40/96/1000044096.db2.gz ZKONYLQRMXPZAO-JLTOFOAXSA-N 1 0 372.465 2.656 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000768207882 1000191513 /nfs/dbraw/zinc/19/15/13/1000191513.db2.gz KVDTVEBTYVOXJO-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000846052322 1000198175 /nfs/dbraw/zinc/19/81/75/1000198175.db2.gz PEOZCGCXXBJDNJ-UHFFFAOYSA-N 1 0 355.438 2.594 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1nccs1 ZINC000768390173 1000239974 /nfs/dbraw/zinc/23/99/74/1000239974.db2.gz HAQQBFSVYRQQHM-UHFFFAOYSA-N 1 0 371.510 2.997 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000846311212 1000265469 /nfs/dbraw/zinc/26/54/69/1000265469.db2.gz UIMMMSQNSIQLGS-UHFFFAOYSA-N 1 0 368.481 2.941 20 10 FFCDRO C[C@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768687457 1000330340 /nfs/dbraw/zinc/33/03/40/1000330340.db2.gz TYFGJLZCNWLSGZ-LPHOPBHVSA-N 1 0 356.514 2.674 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(c3cccc(OCC)n3)CC2)c(O)c1 ZINC000768894580 1000376882 /nfs/dbraw/zinc/37/68/82/1000376882.db2.gz ZSGXAKWZXPXBOH-UHFFFAOYSA-N 1 0 357.454 2.907 20 10 FFCDRO C[C@H](COCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000846663905 1000403868 /nfs/dbraw/zinc/40/38/68/1000403868.db2.gz RFKYNSGGCABMPO-UZLBHIALSA-N 1 0 355.482 2.689 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCn2ccc3ccccc32)cc1 ZINC000846663433 1000407093 /nfs/dbraw/zinc/40/70/93/1000407093.db2.gz JAVBZDPVLCKJEZ-IBGZPJMESA-N 1 0 350.466 2.914 20 10 FFCDRO CC1=NN(c2ccc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2)CC1 ZINC000846663366 1000408613 /nfs/dbraw/zinc/40/86/13/1000408613.db2.gz GVSUWXKOAJUWCZ-HXUWFJFHSA-N 1 0 365.481 2.768 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]([NH3+])C[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000846708847 1000419848 /nfs/dbraw/zinc/41/98/48/1000419848.db2.gz WJJZQCDVPFEYKA-CJNGLKHVSA-N 1 0 369.465 2.817 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([S@@](C)=O)c3)c2)CC1 ZINC000770287430 1000730656 /nfs/dbraw/zinc/73/06/56/1000730656.db2.gz ZMRNCTRXOXEYRC-AREMUKBSSA-N 1 0 371.506 2.818 20 10 FFCDRO CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771518389 1001135980 /nfs/dbraw/zinc/13/59/80/1001135980.db2.gz QZLVABXDXVQMER-FQEVSTJZSA-N 1 0 370.541 2.982 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1O ZINC001276191559 1016502691 /nfs/dbraw/zinc/50/26/91/1016502691.db2.gz LUSSTBOJBUWZCP-HXPMCKFVSA-N 1 0 366.408 2.605 20 10 FFCDRO CCO[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087057358 1001739569 /nfs/dbraw/zinc/73/95/69/1001739569.db2.gz YTDRYQXOTVKTTK-UYAOXDASSA-N 1 0 371.481 2.599 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(O)c1 ZINC000792804828 1003188052 /nfs/dbraw/zinc/18/80/52/1003188052.db2.gz WHQKGAXNIMPQFQ-SFHVURJKSA-N 1 0 363.502 2.957 20 10 FFCDRO COc1ccc(CNC(=O)NCc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC000792856852 1003201455 /nfs/dbraw/zinc/20/14/55/1003201455.db2.gz AXXBFTFBXZTXOI-UHFFFAOYSA-N 1 0 352.394 2.586 20 10 FFCDRO COc1c(O)c(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000775090642 1003589524 /nfs/dbraw/zinc/58/95/24/1003589524.db2.gz UEBLESCNQTUENK-UHFFFAOYSA-N 1 0 357.366 2.570 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1O ZINC000775676163 1003625744 /nfs/dbraw/zinc/62/57/44/1003625744.db2.gz MXEYNYAPUMRVLN-QFBILLFUSA-N 1 0 359.514 2.513 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H](C)O1 ZINC000867152767 1003652604 /nfs/dbraw/zinc/65/26/04/1003652604.db2.gz PSBFYSSEAOMUBY-LLGFUMIMSA-N 1 0 371.525 2.648 20 10 FFCDRO Cc1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)nn1-c1cc[nH+]cc1 ZINC001197532671 1004252416 /nfs/dbraw/zinc/25/24/16/1004252416.db2.gz GOQRIEPWACNQGC-UHFFFAOYSA-N 1 0 364.405 2.576 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3CC[NH+]4CCC3CC4)cs2)cc1 ZINC001193174539 1004385696 /nfs/dbraw/zinc/38/56/96/1004385696.db2.gz RCAXEIDSCXCYIO-UHFFFAOYSA-N 1 0 356.495 2.796 20 10 FFCDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806878346 1004448341 /nfs/dbraw/zinc/44/83/41/1004448341.db2.gz PLHROPIUZWGHTQ-UONOGXRCSA-N 1 0 370.444 2.506 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775837010 1004564949 /nfs/dbraw/zinc/56/49/49/1004564949.db2.gz QDSNTCQBEQCJAH-HNNXBMFYSA-N 1 0 368.481 2.744 20 10 FFCDRO NC(=O)[C@H](NCc1c(O)cccc1Br)c1ccc(F)cc1 ZINC001201902299 1005281086 /nfs/dbraw/zinc/28/10/86/1005281086.db2.gz WFDWJAFGPQQQPK-CQSZACIVSA-N 1 0 353.191 2.610 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000776292399 1005350649 /nfs/dbraw/zinc/35/06/49/1005350649.db2.gz HNWYDOTZCGCZGN-ZWKOTPCHSA-N 1 0 359.514 2.760 20 10 FFCDRO C[C@@H]1[C@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000776291460 1005353370 /nfs/dbraw/zinc/35/33/70/1005353370.db2.gz RECWTHGGZFJRTE-QWHCGFSZSA-N 1 0 364.442 2.951 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C ZINC000827066174 1016968481 /nfs/dbraw/zinc/96/84/81/1016968481.db2.gz PHIVUCOBQFBKOO-MRXNPFEDSA-N 1 0 362.470 2.872 20 10 FFCDRO c1cc(O[C@H]2CCOC2)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850069402 1005782838 /nfs/dbraw/zinc/78/28/38/1005782838.db2.gz MUIIOWAKYQVKCW-QFIPXVFZSA-N 1 0 368.477 2.981 20 10 FFCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000850384958 1005812464 /nfs/dbraw/zinc/81/24/64/1005812464.db2.gz VIFPDTKOPXHTNS-PZJWPPBQSA-N 1 0 354.498 2.758 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000850422600 1005814780 /nfs/dbraw/zinc/81/47/80/1005814780.db2.gz WRDYNQIBBVQUQR-GOSISDBHSA-N 1 0 359.514 2.509 20 10 FFCDRO CC[C@H]([NH2+]C[C@@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O ZINC000850553734 1005822049 /nfs/dbraw/zinc/82/20/49/1005822049.db2.gz BYORWVOOVULQDZ-RBBKRZOGSA-N 1 0 370.493 2.696 20 10 FFCDRO CC[C@H]([NH2+]C[C@]1(CO)COCCN1Cc1ccccc1)c1ccccc1O ZINC000850553735 1005822131 /nfs/dbraw/zinc/82/21/31/1005822131.db2.gz BYORWVOOVULQDZ-UNMCSNQZSA-N 1 0 370.493 2.696 20 10 FFCDRO COc1ccc(N2CCC[N@@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)CC2)cc1 ZINC000851733413 1005909651 /nfs/dbraw/zinc/90/96/51/1005909651.db2.gz UTEXOZZWVSFZKG-NSISKUIASA-N 1 0 357.498 2.655 20 10 FFCDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000852355235 1005990833 /nfs/dbraw/zinc/99/08/33/1005990833.db2.gz QHELYKRTFYQGEP-PKOBYXMFSA-N 1 0 363.546 2.592 20 10 FFCDRO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852452712 1006033953 /nfs/dbraw/zinc/03/39/53/1006033953.db2.gz CEMANSPVNWXCLQ-SFHVURJKSA-N 1 0 374.529 2.695 20 10 FFCDRO CC[C@@](C)([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881356329 1006061194 /nfs/dbraw/zinc/06/11/94/1006061194.db2.gz CDGHJJSFQIZPCT-LJQANCHMSA-N 1 0 370.432 2.687 20 10 FFCDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868765 1006213117 /nfs/dbraw/zinc/21/31/17/1006213117.db2.gz MYSRZCKWBFYQIX-PMACEKPBSA-N 1 0 359.514 2.562 20 10 FFCDRO [NH3+][C@@H](CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000852869098 1006213215 /nfs/dbraw/zinc/21/32/15/1006213215.db2.gz USMPXQLNKOHOBD-NRFANRHFSA-N 1 0 367.493 2.744 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cnn(CC(F)F)c3)cc2)CC1 ZINC000814290902 1006236759 /nfs/dbraw/zinc/23/67/59/1006236759.db2.gz RLJXFDYMAWCFGA-UHFFFAOYSA-N 1 0 364.440 2.647 20 10 FFCDRO CC(=O)[C@@H](C)CCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851028 1006241371 /nfs/dbraw/zinc/24/13/71/1006241371.db2.gz NKTMVISDBLNALB-KRWDZBQOSA-N 1 0 359.514 2.840 20 10 FFCDRO Cc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000881849562 1006242236 /nfs/dbraw/zinc/24/22/36/1006242236.db2.gz RBEYYPRKHYUULX-UHFFFAOYSA-N 1 0 368.437 2.585 20 10 FFCDRO C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850104 1006242690 /nfs/dbraw/zinc/24/26/90/1006242690.db2.gz NSQKGOKNSKOUMU-GOSISDBHSA-N 1 0 367.493 2.660 20 10 FFCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccnc1 ZINC000881853901 1006243320 /nfs/dbraw/zinc/24/33/20/1006243320.db2.gz NYRDGOWAMOYDDQ-NRFANRHFSA-N 1 0 366.509 2.889 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3OCc4ccccc43)cc2)CC1 ZINC000881854970 1006244849 /nfs/dbraw/zinc/24/48/49/1006244849.db2.gz NGKANLGENLILPR-NRFANRHFSA-N 1 0 365.477 2.716 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCc4sccc4C3)cc2)CC1 ZINC000883146656 1006671238 /nfs/dbraw/zinc/67/12/38/1006671238.db2.gz UFWSUJOMBZMZHN-UHFFFAOYSA-N 1 0 370.522 2.768 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)cc1C ZINC001135132339 1006722943 /nfs/dbraw/zinc/72/29/43/1006722943.db2.gz IHYUQRCRDZCXFF-CTNGQTDRSA-N 1 0 368.477 2.987 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)C2)cc1 ZINC000854298220 1006763984 /nfs/dbraw/zinc/76/39/84/1006763984.db2.gz YKJYXXMSXZROKQ-UWVAXJGDSA-N 1 0 372.513 2.542 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000854302029 1006767475 /nfs/dbraw/zinc/76/74/75/1006767475.db2.gz WWFGPVZZTOOYSB-HKUYNNGSSA-N 1 0 372.513 2.544 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C2)cc1 ZINC000854302178 1006767982 /nfs/dbraw/zinc/76/79/82/1006767982.db2.gz JPVNYUIVCBXGCO-QGZVFWFLSA-N 1 0 362.518 2.503 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000854310551 1006770776 /nfs/dbraw/zinc/77/07/76/1006770776.db2.gz VAKKMGFEZQIUJL-UIFIKXQLSA-N 1 0 371.525 2.760 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883421134 1006785938 /nfs/dbraw/zinc/78/59/38/1006785938.db2.gz CRIPSVISZUCNEX-LJQANCHMSA-N 1 0 374.529 2.504 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000883668074 1006938793 /nfs/dbraw/zinc/93/87/93/1006938793.db2.gz MXVYEXRTXXDMEM-MRXNPFEDSA-N 1 0 366.456 2.673 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)c(C)o3)CC2)cc1 ZINC000133068193 1007057963 /nfs/dbraw/zinc/05/79/63/1007057963.db2.gz HHMJEKFQNUYWLT-UHFFFAOYSA-N 1 0 371.481 2.847 20 10 FFCDRO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254461 1007099762 /nfs/dbraw/zinc/09/97/62/1007099762.db2.gz JNKDYDYEVPMOQS-MRXNPFEDSA-N 1 0 369.465 2.821 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258433 1007127932 /nfs/dbraw/zinc/12/79/32/1007127932.db2.gz ALEVHCNHWPGCLI-FUHIMQAGSA-N 1 0 359.514 2.869 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000855227130 1007191376 /nfs/dbraw/zinc/19/13/76/1007191376.db2.gz TXEHDFQULIJQIR-QRWLVFNGSA-N 1 0 363.477 2.603 20 10 FFCDRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000775368795 1007511274 /nfs/dbraw/zinc/51/12/74/1007511274.db2.gz GCDHUARPAIMELE-HOCLYGCPSA-N 1 0 361.438 2.638 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)c1 ZINC000775369759 1007556014 /nfs/dbraw/zinc/55/60/14/1007556014.db2.gz QMUXRNNEIQCIFD-XJKSGUPXSA-N 1 0 359.422 2.694 20 10 FFCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000817865382 1007789299 /nfs/dbraw/zinc/78/92/99/1007789299.db2.gz PYSCRPGQQPZBSL-SJLPKXTDSA-N 1 0 359.514 2.527 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000817942727 1007820236 /nfs/dbraw/zinc/82/02/36/1007820236.db2.gz QPJDOZMCAJWHLR-RBUKOAKNSA-N 1 0 353.445 2.994 20 10 FFCDRO COCCCn1nccc1C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818221937 1007887714 /nfs/dbraw/zinc/88/77/14/1007887714.db2.gz PHERYWSMDFLMKJ-QGZVFWFLSA-N 1 0 358.486 2.544 20 10 FFCDRO COC(=O)CC1CC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000818329764 1007902550 /nfs/dbraw/zinc/90/25/50/1007902550.db2.gz DKVMGSQEGUQAFX-QBBMROGASA-N 1 0 364.461 2.871 20 10 FFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818965691 1007980540 /nfs/dbraw/zinc/98/05/40/1007980540.db2.gz CYFSUNPBOPNDGO-SFHVURJKSA-N 1 0 374.456 2.500 20 10 FFCDRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953143 1007991898 /nfs/dbraw/zinc/99/18/98/1007991898.db2.gz CZWFYCYATYOPLM-SFHVURJKSA-N 1 0 363.502 2.652 20 10 FFCDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818984709 1007999699 /nfs/dbraw/zinc/99/96/99/1007999699.db2.gz DRFVWMJTSYEEJZ-MRXNPFEDSA-N 1 0 362.445 2.820 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3cc(C)ccc3C)CC2)cc1 ZINC000819394238 1008113677 /nfs/dbraw/zinc/11/36/77/1008113677.db2.gz ULAWVIJOBJZTQP-FQEVSTJZSA-N 1 0 369.509 2.907 20 10 FFCDRO COc1c(O)c(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000858012771 1008276730 /nfs/dbraw/zinc/27/67/30/1008276730.db2.gz LQVRKFGBMQNYHD-AWEZNQCLSA-N 1 0 359.382 2.666 20 10 FFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)COc2ccccc2O1 ZINC000858208559 1008325108 /nfs/dbraw/zinc/32/51/08/1008325108.db2.gz IFBGVDQDYJBFQC-OAQYLSRUSA-N 1 0 354.450 2.843 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858306725 1008342874 /nfs/dbraw/zinc/34/28/74/1008342874.db2.gz PSCLYFGUGQTCJE-LJBSOROUSA-N 1 0 366.509 2.651 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(N(C)C)cc1 ZINC000858565443 1008383371 /nfs/dbraw/zinc/38/33/71/1008383371.db2.gz PPWPEUXVBGCWLT-UTKZUKDTSA-N 1 0 354.498 2.699 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000859288233 1008497774 /nfs/dbraw/zinc/49/77/74/1008497774.db2.gz VMIGPZLTTGFCSY-QGZVFWFLSA-N 1 0 353.466 2.978 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)C1 ZINC001177428748 1008620643 /nfs/dbraw/zinc/62/06/43/1008620643.db2.gz GHEZSKCXJJDAFJ-MRXNPFEDSA-N 1 0 359.420 2.956 20 10 FFCDRO COc1cc(NC(=O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc(OC)c1 ZINC000822489868 1008622051 /nfs/dbraw/zinc/62/20/51/1008622051.db2.gz LNVHFGMYJDPTGQ-UHFFFAOYSA-N 1 0 357.454 2.807 20 10 FFCDRO COCc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000886325003 1008637249 /nfs/dbraw/zinc/63/72/49/1008637249.db2.gz PSBHIFWQWUOIIT-UHFFFAOYSA-N 1 0 367.493 2.825 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000886749632 1008859645 /nfs/dbraw/zinc/85/96/45/1008859645.db2.gz YCYKLEKKFXNMHW-FQEVSTJZSA-N 1 0 371.525 2.827 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCc4ncccc43)cc2)CC1 ZINC000886751662 1008859724 /nfs/dbraw/zinc/85/97/24/1008859724.db2.gz XZUUACBZDAOOHS-NRFANRHFSA-N 1 0 364.493 2.951 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccc(F)cn1 ZINC000886749474 1008859973 /nfs/dbraw/zinc/85/99/73/1008859973.db2.gz UBMBHMJJSPDLSH-CQSZACIVSA-N 1 0 356.445 2.773 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000823247491 1008994618 /nfs/dbraw/zinc/99/46/18/1008994618.db2.gz GGTOGRYYMHSEHQ-ROUUACIJSA-N 1 0 374.529 2.551 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000823248498 1008996776 /nfs/dbraw/zinc/99/67/76/1008996776.db2.gz QGTNXURPLJIHJI-GOSISDBHSA-N 1 0 374.529 2.553 20 10 FFCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000860534484 1009053269 /nfs/dbraw/zinc/05/32/69/1009053269.db2.gz DLMGCZIHQCPDKQ-NRFANRHFSA-N 1 0 371.525 2.650 20 10 FFCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000823671920 1009167491 /nfs/dbraw/zinc/16/74/91/1009167491.db2.gz XQBVFVWFMIOWMS-OKILXGFUSA-N 1 0 361.465 2.649 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CC3(O)CCC(C)(C)CC3)cc2F)CC1 ZINC001179232609 1009289086 /nfs/dbraw/zinc/28/90/86/1009289086.db2.gz JHOVVKXAOMCWIL-UHFFFAOYSA-N 1 0 363.521 2.998 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCc3ccccc3[C@H]2C1 ZINC001179687264 1009401612 /nfs/dbraw/zinc/40/16/12/1009401612.db2.gz RMEUOBJLYYAMIZ-JHTBKMLMSA-N 1 0 350.418 2.553 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(C4CC4)CC3)CC2)cc1 ZINC000887775780 1009582902 /nfs/dbraw/zinc/58/29/02/1009582902.db2.gz JTICGDISJALZLK-UHFFFAOYSA-N 1 0 357.498 2.514 20 10 FFCDRO [O-]c1c(F)cc(F)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001180311073 1009624532 /nfs/dbraw/zinc/62/45/32/1009624532.db2.gz XLFOTBUXXLPIHB-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO Cc1c(F)nccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000862295013 1009786250 /nfs/dbraw/zinc/78/62/50/1009786250.db2.gz VVUARSSJROLXJE-KRWDZBQOSA-N 1 0 356.445 2.521 20 10 FFCDRO CN(C)c1cc(F)c(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1F ZINC000862352169 1009801700 /nfs/dbraw/zinc/80/17/00/1009801700.db2.gz YXPBYNKPMFPBMR-UHFFFAOYSA-N 1 0 361.440 2.922 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)c1 ZINC000862476619 1009853428 /nfs/dbraw/zinc/85/34/28/1009853428.db2.gz WRWGMPYIPSYTPY-UHFFFAOYSA-N 1 0 363.454 2.842 20 10 FFCDRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)CCC2 ZINC000863313620 1010171200 /nfs/dbraw/zinc/17/12/00/1010171200.db2.gz RDKQFUAGGLLLIE-UHFFFAOYSA-N 1 0 364.486 2.854 20 10 FFCDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1F ZINC000863334817 1010183119 /nfs/dbraw/zinc/18/31/19/1010183119.db2.gz IUWYDJTXZXYFDX-FZKQIMNGSA-N 1 0 359.397 2.955 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ncccc3O)C[C@H]2C)cc1C ZINC001093731794 1010508640 /nfs/dbraw/zinc/50/86/40/1010508640.db2.gz DVAZRGCVTGLDPB-NVXWUHKLSA-N 1 0 369.465 2.602 20 10 FFCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCCC2 ZINC000865878786 1010880480 /nfs/dbraw/zinc/88/04/80/1010880480.db2.gz APVZLKDSUPQAMK-UHFFFAOYSA-N 1 0 371.456 2.932 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1Nc1nccnc1C[NH3+])N=[N+]=[N-] ZINC001171445177 1011129642 /nfs/dbraw/zinc/12/96/42/1011129642.db2.gz WVCNRBZXJFCANP-JYRVWZFOSA-N 1 0 368.401 2.905 20 10 FFCDRO Cc1cnccc1OC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000773336992 1011407142 /nfs/dbraw/zinc/40/71/42/1011407142.db2.gz DHLMPEXNIAGPNN-SFHVURJKSA-N 1 0 356.422 2.565 20 10 FFCDRO C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1O ZINC001171730072 1011440403 /nfs/dbraw/zinc/44/04/03/1011440403.db2.gz JRYRWZSHSWKOOW-KRWDZBQOSA-N 1 0 353.466 2.782 20 10 FFCDRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796262199 1011564937 /nfs/dbraw/zinc/56/49/37/1011564937.db2.gz HUGJUBNXMYLJSN-LJQANCHMSA-N 1 0 370.518 2.774 20 10 FFCDRO COCCOc1ccc(N2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172130336 1011633921 /nfs/dbraw/zinc/63/39/21/1011633921.db2.gz OCAVLTSKTOIWOL-WKCHPHFGSA-N 1 0 373.541 2.849 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172188118 1011662114 /nfs/dbraw/zinc/66/21/14/1011662114.db2.gz FCENBYLHDBRFJC-CABCVRRESA-N 1 0 353.466 2.698 20 10 FFCDRO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001275035336 1011841972 /nfs/dbraw/zinc/84/19/72/1011841972.db2.gz RGAFTAPTIKZCPU-SFHVURJKSA-N 1 0 354.397 2.568 20 10 FFCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796319268 1011920328 /nfs/dbraw/zinc/92/03/28/1011920328.db2.gz GVXIVOSWDGNADK-HXUWFJFHSA-N 1 0 370.518 2.916 20 10 FFCDRO O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1c([O-])cc(F)cc1F ZINC001275230280 1012111807 /nfs/dbraw/zinc/11/18/07/1012111807.db2.gz YDFPIAUIMVJVNY-KRWDZBQOSA-N 1 0 360.351 2.893 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001275243014 1012131597 /nfs/dbraw/zinc/13/15/97/1012131597.db2.gz WIKMBRXSEJLFJR-VLIAUNLRSA-N 1 0 360.454 2.540 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275387549 1012408442 /nfs/dbraw/zinc/40/84/42/1012408442.db2.gz GQNJYCCSPGLTFM-NRFANRHFSA-N 1 0 360.498 2.942 20 10 FFCDRO CCSC[C@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001173291062 1012436635 /nfs/dbraw/zinc/43/66/35/1012436635.db2.gz KDUFKROWWORHGG-KRWDZBQOSA-N 1 0 351.560 2.939 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870861095 1012610075 /nfs/dbraw/zinc/61/00/75/1012610075.db2.gz CVIDNWMQDBKDNJ-QWFCFKBJSA-N 1 0 359.514 2.778 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)OCC1=O ZINC001275597881 1012673451 /nfs/dbraw/zinc/67/34/51/1012673451.db2.gz KXDSIKJMNIEJJL-NRFANRHFSA-N 1 0 357.498 2.522 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCC(=O)N3Cc4cccc(O)c4C3)CC2)c1 ZINC000871203098 1012783377 /nfs/dbraw/zinc/78/33/77/1012783377.db2.gz SHWRLQVQQUYTJL-UHFFFAOYSA-N 1 0 365.477 2.755 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001275770687 1012983857 /nfs/dbraw/zinc/98/38/57/1012983857.db2.gz FRGINULGEXGXJA-DYESRHJHSA-N 1 0 360.498 2.858 20 10 FFCDRO O=C(CC[C@@H]1CC[NH2+]C1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359483 1032678664 /nfs/dbraw/zinc/67/86/64/1032678664.db2.gz VWXZUWGZXILCRN-CQSZACIVSA-N 1 0 367.440 2.763 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)cc2)C1 ZINC000924727320 1017451956 /nfs/dbraw/zinc/45/19/56/1017451956.db2.gz FBFWAEHOTBYMEI-TZIWHRDSSA-N 1 0 371.525 2.683 20 10 FFCDRO Cc1cc(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)c(C)n1-c1ccc(F)cn1 ZINC000828492396 1032726147 /nfs/dbraw/zinc/72/61/47/1032726147.db2.gz KIESVSFUUCSWOW-QAPCUYQASA-N 1 0 359.445 2.904 20 10 FFCDRO CCCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000827194593 1017892319 /nfs/dbraw/zinc/89/23/19/1017892319.db2.gz NYYOGUBRLNFAPF-HKUYNNGSSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)cc1F ZINC001137423268 1018166308 /nfs/dbraw/zinc/16/63/08/1018166308.db2.gz ZRJGEWNUUSNAIE-SFHVURJKSA-N 1 0 363.477 2.603 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCCC4)cc2)CC1 ZINC000926872373 1018276692 /nfs/dbraw/zinc/27/66/92/1018276692.db2.gz DVPONCNYWLIELH-HXUWFJFHSA-N 1 0 371.525 2.970 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[nH]c1C ZINC000827662212 1018602598 /nfs/dbraw/zinc/60/25/98/1018602598.db2.gz NTLNVJUAOZSHEN-UHFFFAOYSA-N 1 0 371.481 2.751 20 10 FFCDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725358 1018629503 /nfs/dbraw/zinc/62/95/03/1018629503.db2.gz FTIJMEZHZGRGLL-OXQOHEQNSA-N 1 0 353.466 2.709 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000777739234 1019237144 /nfs/dbraw/zinc/23/71/44/1019237144.db2.gz FFSMHWYGLSPNJG-FQEVSTJZSA-N 1 0 359.514 2.602 20 10 FFCDRO CCOC(=O)[C@@H]1CC2(CN1Cc1cc(F)c(Cl)cc1O)CC[NH2+]CC2 ZINC001222231912 1032841735 /nfs/dbraw/zinc/84/17/35/1032841735.db2.gz REMBBNYFTUAAHB-HNNXBMFYSA-N 1 0 370.852 2.692 20 10 FFCDRO C[C@@](NCc1ccc(N2CCOCC2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000930019915 1019813540 /nfs/dbraw/zinc/81/35/40/1019813540.db2.gz XRDJTROXDSAYPS-FQEVSTJZSA-N 1 0 373.884 2.667 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726708558 1020510554 /nfs/dbraw/zinc/51/05/54/1020510554.db2.gz JKQWZDORRASTTO-INIZCTEOSA-N 1 0 362.518 2.694 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccccc1C ZINC000726985435 1020565508 /nfs/dbraw/zinc/56/55/08/1020565508.db2.gz LWWIMJFNUPZXDP-GOSISDBHSA-N 1 0 368.525 2.768 20 10 FFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903102891 1020679385 /nfs/dbraw/zinc/67/93/85/1020679385.db2.gz CGSLGILVWBXYEO-UCLAIMLFSA-N 1 0 368.424 2.794 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001217985823 1032934940 /nfs/dbraw/zinc/93/49/40/1032934940.db2.gz CTQLFUAXTMIXAX-BLLLJJGKSA-N 1 0 351.402 2.935 20 10 FFCDRO O=c1cc(-c2ccc(F)cc2)c2ccc(O[C@@H]3C[NH2+]CCOC3)cc2o1 ZINC001218041154 1032967796 /nfs/dbraw/zinc/96/77/96/1032967796.db2.gz CVXJVLNHFIFZOW-MRXNPFEDSA-N 1 0 355.365 2.966 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116585300 1021295527 /nfs/dbraw/zinc/29/55/27/1021295527.db2.gz WRYGTYAVIMBGIB-XJKSGUPXSA-N 1 0 360.479 2.947 20 10 FFCDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218063065 1032975441 /nfs/dbraw/zinc/97/54/41/1032975441.db2.gz XEUSLNGHFDVKAF-NEPJUHHUSA-N 1 0 366.373 2.890 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218061690 1032975696 /nfs/dbraw/zinc/97/56/96/1032975696.db2.gz QHOCTICNENIGCQ-CHWSQXEVSA-N 1 0 351.402 2.995 20 10 FFCDRO O=c1cc(-c2cnn(CC[NH+]3CCCC3)c2)ccn1Cc1ccccc1F ZINC001222500235 1033013337 /nfs/dbraw/zinc/01/33/37/1033013337.db2.gz RYDGYOFUACLWKB-UHFFFAOYSA-N 1 0 366.440 2.995 20 10 FFCDRO Cc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C1CCCC1 ZINC001118219315 1022128040 /nfs/dbraw/zinc/12/80/40/1022128040.db2.gz VQQDVTWLRITFEY-LJQANCHMSA-N 1 0 355.486 2.802 20 10 FFCDRO COc1ccc(OC)c2c1C[N@H+](Cc1cc3c(cc1O)CCC3)C[C@@H]2O ZINC000042093607 1022136668 /nfs/dbraw/zinc/13/66/68/1022136668.db2.gz HZVFOJZBPIOGIA-SFHVURJKSA-N 1 0 355.434 2.947 20 10 FFCDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000155928548 1022306139 /nfs/dbraw/zinc/30/61/39/1022306139.db2.gz DDQXQNIVILZDDC-OAHLLOKOSA-N 1 0 371.456 2.873 20 10 FFCDRO CC(C)[NH2+][C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C(F)(F)F ZINC001099347295 1022342731 /nfs/dbraw/zinc/34/27/31/1022342731.db2.gz BKCNQRYCKPXJPZ-CHWSQXEVSA-N 1 0 371.363 2.850 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)cc1C ZINC001018858049 1022354289 /nfs/dbraw/zinc/35/42/89/1022354289.db2.gz DEBGABCPOPDXGF-BJLQDIEVSA-N 1 0 360.498 2.755 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157936909 1022466691 /nfs/dbraw/zinc/46/66/91/1022466691.db2.gz WLGUWUMQYPJNAW-SFHVURJKSA-N 1 0 354.450 2.811 20 10 FFCDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001118938742 1022483310 /nfs/dbraw/zinc/48/33/10/1022483310.db2.gz NRYLFXSRQPJSBW-NSHDSACASA-N 1 0 353.260 2.645 20 10 FFCDRO Cc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218253445 1033070942 /nfs/dbraw/zinc/07/09/42/1033070942.db2.gz XIDTUBSDZLJGGJ-XJKCOSOUSA-N 1 0 363.413 2.995 20 10 FFCDRO CCN1CCN(C(=O)Cc2ccc(NCc3cc(F)ccc3O)cc2)CC1 ZINC000779047710 1022710879 /nfs/dbraw/zinc/71/08/79/1022710879.db2.gz SAYZJUHWGOCOCK-UHFFFAOYSA-N 1 0 371.456 2.850 20 10 FFCDRO CN(c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1)C1CCCCC1 ZINC000188747335 1023132136 /nfs/dbraw/zinc/13/21/36/1023132136.db2.gz UJZZYAJQFSGVLQ-UHFFFAOYSA-N 1 0 367.497 2.754 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1OC ZINC001119954093 1023179306 /nfs/dbraw/zinc/17/93/06/1023179306.db2.gz VPCDAHNLRJXJGV-MRXNPFEDSA-N 1 0 370.449 2.548 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(C(C)C)C3)cc2F)CC1 ZINC000753613567 1023359527 /nfs/dbraw/zinc/35/95/27/1023359527.db2.gz NCOJCMIMBKQQBR-UHFFFAOYSA-N 1 0 362.493 2.765 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC001120574506 1023367992 /nfs/dbraw/zinc/36/79/92/1023367992.db2.gz MWECDOCNJMUYLW-IBGZPJMESA-N 1 0 374.529 2.572 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@H](C)[C@@H]3CC[NH3+])C2)cc1 ZINC001120634605 1023396891 /nfs/dbraw/zinc/39/68/91/1023396891.db2.gz TVHRKOKDQOJPAV-QKLQHJQFSA-N 1 0 374.529 2.680 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(OC)CCCC3)cc2F)CC1 ZINC000754217242 1023441751 /nfs/dbraw/zinc/44/17/51/1023441751.db2.gz RHWHVVBFFPELSR-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756400060 1023704648 /nfs/dbraw/zinc/70/46/48/1023704648.db2.gz APISBRRWEFZPEL-BBRMVZONSA-N 1 0 363.477 2.660 20 10 FFCDRO CCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000190857254 1023711009 /nfs/dbraw/zinc/71/10/09/1023711009.db2.gz PGSPASOQLHFJLB-UHFFFAOYSA-N 1 0 372.488 2.928 20 10 FFCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1 ZINC000756573291 1023730325 /nfs/dbraw/zinc/73/03/25/1023730325.db2.gz ISGQLNRWBNWOMN-HXUWFJFHSA-N 1 0 373.522 2.947 20 10 FFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756587821 1023731866 /nfs/dbraw/zinc/73/18/66/1023731866.db2.gz CSBXEIVDRWDZEB-HZPDHXFCSA-N 1 0 358.461 2.788 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000757687841 1023848135 /nfs/dbraw/zinc/84/81/35/1023848135.db2.gz IDGPAEITRSPLOT-KSSFIOAISA-N 1 0 362.493 2.954 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@H]3C[NH2+]C[C@@H]31)C(=O)c1ccccc1C2=O ZINC001218462812 1033168566 /nfs/dbraw/zinc/16/85/66/1033168566.db2.gz XWYOBTSULZLHBQ-AFAVFJNCSA-N 1 0 363.413 2.847 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078563082 1023885801 /nfs/dbraw/zinc/88/58/01/1023885801.db2.gz FYWCSFPNUFZKMB-BVBGJJFLSA-N 1 0 361.442 2.949 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000191953618 1023941983 /nfs/dbraw/zinc/94/19/83/1023941983.db2.gz YQZHVGJQUXLRON-CSKARUKUSA-N 1 0 370.449 2.710 20 10 FFCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000779516920 1023949344 /nfs/dbraw/zinc/94/93/44/1023949344.db2.gz JKLFFIJNVDKMIE-VZUCSPMQSA-N 1 0 356.422 2.714 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000779531330 1023960226 /nfs/dbraw/zinc/96/02/26/1023960226.db2.gz WMYCNJFWSIHFAZ-ALCCZGGFSA-N 1 0 368.433 2.706 20 10 FFCDRO O=C1CN([C@H]2CC[N@@H+](Cc3c(O)ccc4ccncc43)C2)c2ccccc2N1 ZINC000758974285 1024406255 /nfs/dbraw/zinc/40/62/55/1024406255.db2.gz RIJFQGVINZSHPR-INIZCTEOSA-N 1 0 374.444 2.973 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cc(C)ccc1C)cc2=O ZINC000759630017 1024693334 /nfs/dbraw/zinc/69/33/34/1024693334.db2.gz IADHNSLFFLLOIW-UHFFFAOYSA-N 1 0 368.437 2.860 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@H]43)ccc21 ZINC001141142069 1025511018 /nfs/dbraw/zinc/51/10/18/1025511018.db2.gz DVEAFQOFKRGNOO-IAGOWNOFSA-N 1 0 373.497 2.956 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)ccc21 ZINC001141142071 1025511815 /nfs/dbraw/zinc/51/18/15/1025511815.db2.gz DVEAFQOFKRGNOO-SJORKVTESA-N 1 0 373.497 2.956 20 10 FFCDRO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141142845 1025514495 /nfs/dbraw/zinc/51/44/95/1025514495.db2.gz CPNWZRHGBJCCHT-NRFANRHFSA-N 1 0 357.498 2.882 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4C3)ccc21 ZINC001141143000 1025515059 /nfs/dbraw/zinc/51/50/59/1025515059.db2.gz JMGOHGDJCMTPAB-NNZMDNLPSA-N 1 0 369.509 2.642 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CC(CCNC(=O)OC(C)(C)C)C3)ccc21 ZINC001141143910 1025518696 /nfs/dbraw/zinc/51/86/96/1025518696.db2.gz NHYYUKGNXNDFQY-UHFFFAOYSA-N 1 0 361.486 2.862 20 10 FFCDRO Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146425 1025524801 /nfs/dbraw/zinc/52/48/01/1025524801.db2.gz VBGHBTBZDPNSAN-QGZVFWFLSA-N 1 0 354.454 2.657 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1 ZINC001141158063 1025538024 /nfs/dbraw/zinc/53/80/24/1025538024.db2.gz RXXNYKQTKQMYCD-PZJWPPBQSA-N 1 0 370.449 2.833 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1 ZINC001141159764 1025542067 /nfs/dbraw/zinc/54/20/67/1025542067.db2.gz KKOKTGYFJDGMOL-NLWGTHIKSA-N 1 0 356.422 2.694 20 10 FFCDRO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160594 1025544320 /nfs/dbraw/zinc/54/43/20/1025544320.db2.gz ZWSAVBLZIUZUHA-GUYCJALGSA-N 1 0 356.397 2.583 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141160509 1025544842 /nfs/dbraw/zinc/54/48/42/1025544842.db2.gz XXJSYLINHSVXTP-OAQYLSRUSA-N 1 0 367.449 2.508 20 10 FFCDRO C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+](C2CC2)C1 ZINC000838031758 1026175721 /nfs/dbraw/zinc/17/57/21/1026175721.db2.gz NYGNTJNYOACHHJ-MRXNPFEDSA-N 1 0 356.514 2.695 20 10 FFCDRO C[C@@H](CCCc1cccnc1)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839145611 1026604508 /nfs/dbraw/zinc/60/45/08/1026604508.db2.gz QSGPPHUJFQAHLE-KRWDZBQOSA-N 1 0 354.498 2.765 20 10 FFCDRO COc1cccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1O ZINC000839146350 1026606092 /nfs/dbraw/zinc/60/60/92/1026606092.db2.gz DUUJSDUYZBLBLT-UHFFFAOYSA-N 1 0 364.392 2.805 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000839494462 1026700325 /nfs/dbraw/zinc/70/03/25/1026700325.db2.gz LXUMRPCRJNQRCZ-TYPHKJRUSA-N 1 0 373.541 2.894 20 10 FFCDRO COc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000038635204 1026715991 /nfs/dbraw/zinc/71/59/91/1026715991.db2.gz PGAWYMNPOYZBPM-FQEVSTJZSA-N 1 0 355.482 2.723 20 10 FFCDRO COC(OC)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000839769417 1026821453 /nfs/dbraw/zinc/82/14/53/1026821453.db2.gz FQJNFCHYGLNWLD-HNNXBMFYSA-N 1 0 373.497 2.531 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000840113105 1026961765 /nfs/dbraw/zinc/96/17/65/1026961765.db2.gz BVAKMHPZUASEAN-SFHVURJKSA-N 1 0 371.481 2.839 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000840490337 1027093023 /nfs/dbraw/zinc/09/30/23/1027093023.db2.gz ZRZRRWXIFYRLQD-KRWDZBQOSA-N 1 0 358.530 2.729 20 10 FFCDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000092754776 1027435653 /nfs/dbraw/zinc/43/56/53/1027435653.db2.gz JOXRBGOMOCEKRH-SFHVURJKSA-N 1 0 373.541 2.896 20 10 FFCDRO Oc1ccc(Br)cc1CNc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001160011536 1027562349 /nfs/dbraw/zinc/56/23/49/1027562349.db2.gz FOIBARJEEGLXHW-UHFFFAOYSA-N 1 0 369.650 2.856 20 10 FFCDRO Oc1ccc(Br)cc1CNc1cccc(N2CCOCC2)[nH+]1 ZINC001160019382 1027564843 /nfs/dbraw/zinc/56/48/43/1027564843.db2.gz GLLLEJAAWBCHPP-UHFFFAOYSA-N 1 0 364.243 2.998 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C[C@H](O)C[NH3+] ZINC001160931172 1027927562 /nfs/dbraw/zinc/92/75/62/1027927562.db2.gz YAIWPOCDYIQYPD-IBGZPJMESA-N 1 0 364.489 2.775 20 10 FFCDRO CC1(C)[C@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C[C@@H]1[NH3+] ZINC001161534201 1028218498 /nfs/dbraw/zinc/21/84/98/1028218498.db2.gz HTRSBMXJCOMOPN-GJZGRUSLSA-N 1 0 371.403 2.607 20 10 FFCDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534748 1028219548 /nfs/dbraw/zinc/21/95/48/1028219548.db2.gz RYEWZXNARHNNRH-BBRMVZONSA-N 1 0 373.419 2.997 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000781419426 1029200582 /nfs/dbraw/zinc/20/05/82/1029200582.db2.gz IRCNXLKJRIJXMN-UHFFFAOYSA-N 1 0 370.497 2.798 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@]12CCCO2 ZINC000781420850 1029203573 /nfs/dbraw/zinc/20/35/73/1029203573.db2.gz MNEABDSDLNOFEA-NJDAHSKKSA-N 1 0 360.498 2.980 20 10 FFCDRO CCOC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1C ZINC001156658090 1029292593 /nfs/dbraw/zinc/29/25/93/1029292593.db2.gz RSCMAISXUVAOOY-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1O ZINC000694750838 1029838535 /nfs/dbraw/zinc/83/85/35/1029838535.db2.gz BJMSYWZCROUTNA-HXUWFJFHSA-N 1 0 369.509 2.697 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000841012672 1029976755 /nfs/dbraw/zinc/97/67/55/1029976755.db2.gz IHZXUMUFSHFGDS-OAHLLOKOSA-N 1 0 368.481 2.760 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000783537261 1030144204 /nfs/dbraw/zinc/14/42/04/1030144204.db2.gz WCZNYCNSYHVCAG-RTBURBONSA-N 1 0 369.513 2.718 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000841306769 1030177219 /nfs/dbraw/zinc/17/72/19/1030177219.db2.gz BBSAQCACJSADSP-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO [NH3+]Cc1cccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000841305313 1030177732 /nfs/dbraw/zinc/17/77/32/1030177732.db2.gz SWUDDDLLUVVQNQ-UHFFFAOYSA-N 1 0 368.481 2.676 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000841322334 1030194412 /nfs/dbraw/zinc/19/44/12/1030194412.db2.gz KWJXUSURPAXSMO-UHFFFAOYSA-N 1 0 354.454 2.898 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326904 1030199815 /nfs/dbraw/zinc/19/98/15/1030199815.db2.gz ALQUGSUJQHLUCB-LLVKDONJSA-N 1 0 359.401 2.635 20 10 FFCDRO CCO[C@@H]1C[C@@](CO)([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000783724963 1030254317 /nfs/dbraw/zinc/25/43/17/1030254317.db2.gz ZGSOWXQQEIWQAL-CTNGQTDRSA-N 1 0 362.514 2.820 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]21 ZINC000841707143 1030418822 /nfs/dbraw/zinc/41/88/22/1030418822.db2.gz OETNEFLGGUDBQL-YTQUADARSA-N 1 0 374.554 2.509 20 10 FFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841731206 1030430541 /nfs/dbraw/zinc/43/05/41/1030430541.db2.gz SQORCYNUBRLVBV-JXFKEZNVSA-N 1 0 352.482 2.946 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000841779818 1030462734 /nfs/dbraw/zinc/46/27/34/1030462734.db2.gz ZMXIQTPIGYLOGC-HXUWFJFHSA-N 1 0 368.481 2.663 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841826620 1030489952 /nfs/dbraw/zinc/48/99/52/1030489952.db2.gz HBCVAPMEEZMLBN-FQEVSTJZSA-N 1 0 352.482 2.747 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841877331 1030515336 /nfs/dbraw/zinc/51/53/36/1030515336.db2.gz MWLBVQKWRZPBOQ-OXQOHEQNSA-N 1 0 352.482 2.631 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000841934801 1030552906 /nfs/dbraw/zinc/55/29/06/1030552906.db2.gz AYXUUIUQTWVASY-UHFFFAOYSA-N 1 0 369.513 2.859 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001142508549 1030558898 /nfs/dbraw/zinc/55/88/98/1030558898.db2.gz COVPGEIUZSMXGV-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO Cn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(-c2ccccn2)n1 ZINC000784614550 1030717686 /nfs/dbraw/zinc/71/76/86/1030717686.db2.gz CFIZFHOCTJPBKC-UHFFFAOYSA-N 1 0 362.481 2.846 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@H+](Cc4ccccc4O)CCN3C2)n1 ZINC001203551763 1030761075 /nfs/dbraw/zinc/76/10/75/1030761075.db2.gz MUJGCAICQJATON-WOJBJXKFSA-N 1 0 353.466 2.571 20 10 FFCDRO COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1O ZINC001203590005 1030773510 /nfs/dbraw/zinc/77/35/10/1030773510.db2.gz QJTMUIPTBOPSNU-HDICACEKSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1O ZINC001203594408 1030777955 /nfs/dbraw/zinc/77/79/55/1030777955.db2.gz YJHRWVVLAOMHGH-HOCLYGCPSA-N 1 0 359.495 2.954 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001203609105 1030784000 /nfs/dbraw/zinc/78/40/00/1030784000.db2.gz AIONPLYHUDVONS-NRFANRHFSA-N 1 0 352.434 2.911 20 10 FFCDRO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c(O)c1 ZINC001203623917 1030790842 /nfs/dbraw/zinc/79/08/42/1030790842.db2.gz YCXZLONFBODYPD-IYBDPMFKSA-N 1 0 358.463 2.666 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001203623471 1030792042 /nfs/dbraw/zinc/79/20/42/1030792042.db2.gz SATFOZUVXVLHSL-MJGOQNOKSA-N 1 0 353.466 2.750 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001203628513 1030795996 /nfs/dbraw/zinc/79/59/96/1030795996.db2.gz AFFZHCKQXZPURO-XLIONFOSSA-N 1 0 354.450 2.738 20 10 FFCDRO Cc1nccnc1O[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648112 1030803555 /nfs/dbraw/zinc/80/35/55/1030803555.db2.gz DRNWCBJVPSICFC-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c1 ZINC001203675340 1030822857 /nfs/dbraw/zinc/82/28/57/1030822857.db2.gz VILASHYGGIUUOC-GHTZIAJQSA-N 1 0 352.434 2.507 20 10 FFCDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1c1ccc(F)c(F)c1 ZINC001203706298 1030838398 /nfs/dbraw/zinc/83/83/98/1030838398.db2.gz FZQYLTNOZUDFNI-FXAWDEMLSA-N 1 0 358.388 2.961 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000842643179 1030870997 /nfs/dbraw/zinc/87/09/97/1030870997.db2.gz MPTUTBSNFBKXAW-QGZVFWFLSA-N 1 0 374.403 2.896 20 10 FFCDRO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(N(C)C)cc4)C[C@@H]32)C1=O ZINC001203931852 1030989916 /nfs/dbraw/zinc/98/99/16/1030989916.db2.gz LKGNEFPVLCTRNF-SLYNCCJLSA-N 1 0 354.498 2.614 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC001203940137 1030996714 /nfs/dbraw/zinc/99/67/14/1030996714.db2.gz VYNYUNRAPYWNFQ-RTBURBONSA-N 1 0 351.498 2.891 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001203940120 1030996899 /nfs/dbraw/zinc/99/68/99/1030996899.db2.gz VIHFTBMEDWADIX-NJDAHSKKSA-N 1 0 371.525 2.648 20 10 FFCDRO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)o1 ZINC000843125484 1031194725 /nfs/dbraw/zinc/19/47/25/1031194725.db2.gz AIMKOMOKGUMSQG-SFHVURJKSA-N 1 0 353.470 2.844 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c(O)c1 ZINC001204272498 1031199136 /nfs/dbraw/zinc/19/91/36/1031199136.db2.gz BZNSVFXGKCLMRU-INIZCTEOSA-N 1 0 374.412 2.834 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(O)c1 ZINC001204272500 1031199191 /nfs/dbraw/zinc/19/91/91/1031199191.db2.gz BZZHYIBESJWPIF-CTNGQTDRSA-N 1 0 370.449 2.943 20 10 FFCDRO O=C1N(Cc2cccnc2)CCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204272667 1031199631 /nfs/dbraw/zinc/19/96/31/1031199631.db2.gz GEFXKAYAMJUAPM-UHFFFAOYSA-N 1 0 367.449 2.508 20 10 FFCDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204273728 1031202297 /nfs/dbraw/zinc/20/22/97/1031202297.db2.gz GPNRYWUIHIHBSA-VXKWHMMOSA-N 1 0 366.461 2.862 20 10 FFCDRO COc1cc(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(O)c1O ZINC001204343902 1031240335 /nfs/dbraw/zinc/24/03/35/1031240335.db2.gz BOMNMGRHUDMIPE-ZWKOTPCHSA-N 1 0 354.450 2.813 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cc(O)c1O ZINC001204348123 1031244879 /nfs/dbraw/zinc/24/48/79/1031244879.db2.gz HWTSPVQPSVHZET-MRXNPFEDSA-N 1 0 363.454 2.657 20 10 FFCDRO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(O)c1O ZINC001204352085 1031248016 /nfs/dbraw/zinc/24/80/16/1031248016.db2.gz YIAAUPXNUGERRJ-MSOLQXFVSA-N 1 0 354.450 2.813 20 10 FFCDRO Cc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)c(C)n1-c1cccc(Cl)c1 ZINC000843337816 1031333781 /nfs/dbraw/zinc/33/37/81/1031333781.db2.gz BHEXAJQVZOPSAN-UHFFFAOYSA-N 1 0 374.916 2.725 20 10 FFCDRO C[NH2+]C[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000843349157 1031340749 /nfs/dbraw/zinc/34/07/49/1031340749.db2.gz JHDLXBPIGKUWMB-MRXNPFEDSA-N 1 0 369.465 2.547 20 10 FFCDRO CS(=O)(=O)c1ccc(OCCCN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350580 1031344844 /nfs/dbraw/zinc/34/48/44/1031344844.db2.gz PMRPHXQGVSJUNM-UHFFFAOYSA-N 1 0 374.506 2.771 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4[nH]cnc4C)C3)C2)cc1 ZINC001204593799 1031386730 /nfs/dbraw/zinc/38/67/30/1031386730.db2.gz UPCILNXNKIOQJO-OAQYLSRUSA-N 1 0 370.497 2.846 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000799743075 1031870603 /nfs/dbraw/zinc/87/06/03/1031870603.db2.gz ULWPSOLZWGYUFP-UHFFFAOYSA-N 1 0 368.525 2.850 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(N3CCc4ccccc43)CC1)[C@H](O)CO2 ZINC000799942869 1031929976 /nfs/dbraw/zinc/92/99/76/1031929976.db2.gz PKALHBBHLMWXCE-OAQYLSRUSA-N 1 0 366.461 2.845 20 10 FFCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cccc(I)c2O)C1 ZINC001205851942 1032031449 /nfs/dbraw/zinc/03/14/49/1032031449.db2.gz DDMZRNXKTSSUMG-ZYHUDNBSSA-N 1 0 360.239 2.556 20 10 FFCDRO CC(C)C[C@@](C)([NH3+])C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001219001675 1033453426 /nfs/dbraw/zinc/45/34/26/1033453426.db2.gz DIYMZGXXOPUJJR-OAQYLSRUSA-N 1 0 365.433 2.746 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2n1CCC2 ZINC000830543906 1033666666 /nfs/dbraw/zinc/66/66/66/1033666666.db2.gz IFCUDYNOYHEFNH-OAHLLOKOSA-N 1 0 374.872 2.583 20 10 FFCDRO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665478 1033731860 /nfs/dbraw/zinc/73/18/60/1033731860.db2.gz XWIWRPVIABUKRK-CABCVRRESA-N 1 0 367.440 2.763 20 10 FFCDRO CNC(=O)C[N@@H+]1CCCC12CCN(Cc1c(C)n(C)c3ccccc31)CC2 ZINC001138254181 1034023900 /nfs/dbraw/zinc/02/39/00/1034023900.db2.gz SETBYCRCSNPITB-UHFFFAOYSA-N 1 0 368.525 2.663 20 10 FFCDRO Cc1c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c2ccccc2n1C ZINC001138257072 1034026215 /nfs/dbraw/zinc/02/62/15/1034026215.db2.gz USDDPGVOABLNSC-HXUWFJFHSA-N 1 0 355.482 2.700 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3c4ccccc4n(C)c3C)C2)nc1 ZINC001138259141 1034029875 /nfs/dbraw/zinc/02/98/75/1034029875.db2.gz CHIJWFBKCZXDHB-OAHLLOKOSA-N 1 0 352.438 2.939 20 10 FFCDRO CC(C)(C)OC[C@H]([NH3+])CC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212825 1034049173 /nfs/dbraw/zinc/04/91/73/1034049173.db2.gz YBHOBZZKCKCQKU-GFCCVEGCSA-N 1 0 365.861 2.743 20 10 FFCDRO Cc1ccoc1CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000831560602 1034124941 /nfs/dbraw/zinc/12/49/41/1034124941.db2.gz CLDRYMOMFNMXCG-UHFFFAOYSA-N 1 0 367.493 2.979 20 10 FFCDRO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026146 1034172626 /nfs/dbraw/zinc/17/26/26/1034172626.db2.gz LECXIWFRYHSRAL-KRWDZBQOSA-N 1 0 364.461 2.595 20 10 FFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138341413 1034172995 /nfs/dbraw/zinc/17/29/95/1034172995.db2.gz GLCZULHVIXVOAH-QGZVFWFLSA-N 1 0 357.498 2.582 20 10 FFCDRO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026861 1034175272 /nfs/dbraw/zinc/17/52/72/1034175272.db2.gz WAGGIBQKMYKCNJ-KRWDZBQOSA-N 1 0 364.461 2.595 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)c1 ZINC001277055999 1034317248 /nfs/dbraw/zinc/31/72/48/1034317248.db2.gz AOHCDFSQWPIXJK-QZTJIDSGSA-N 1 0 358.482 2.654 20 10 FFCDRO COc1ccc(C[C@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265938 1034686697 /nfs/dbraw/zinc/68/66/97/1034686697.db2.gz BZZNGJBJINSPFW-MGPUTAFESA-N 1 0 355.482 2.756 20 10 FFCDRO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832265935 1034687090 /nfs/dbraw/zinc/68/70/90/1034687090.db2.gz BYZHSJQHEATMFP-GOSISDBHSA-N 1 0 374.872 2.794 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2OCC2CC2)cc1 ZINC000832278887 1034697172 /nfs/dbraw/zinc/69/71/72/1034697172.db2.gz FNSFGBYUEMSMDU-LJQANCHMSA-N 1 0 353.466 2.971 20 10 FFCDRO Oc1c(O)c(O)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(O)c1O ZINC001226469798 1034698784 /nfs/dbraw/zinc/69/87/84/1034698784.db2.gz XLIJYRQCMXNIHS-BTTYYORXSA-N 1 0 373.405 2.789 20 10 FFCDRO COc1cc(CN2CCc3cc(CO)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139254588 1035030300 /nfs/dbraw/zinc/03/03/00/1035030300.db2.gz IYFFXNDGOHUBQL-UHFFFAOYSA-N 1 0 356.466 2.513 20 10 FFCDRO COC(=O)c1cccc2c1CN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C2 ZINC001139257663 1035031704 /nfs/dbraw/zinc/03/17/04/1035031704.db2.gz ZYCPAQYFTCMUNV-UHFFFAOYSA-N 1 0 370.449 2.765 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)ccc1N(C)C ZINC001139671701 1035194126 /nfs/dbraw/zinc/19/41/26/1035194126.db2.gz OMPYZQNIHLRZOT-HDICACEKSA-N 1 0 353.466 2.858 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001140055347 1035324662 /nfs/dbraw/zinc/32/46/62/1035324662.db2.gz DVWUJGLAEIGTKP-UHFFFAOYSA-N 1 0 350.397 2.984 20 10 FFCDRO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060013 1035326141 /nfs/dbraw/zinc/32/61/41/1035326141.db2.gz GJDRMXQTNPCVEV-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001140063120 1035327403 /nfs/dbraw/zinc/32/74/03/1035327403.db2.gz LCBKQJYSEPSGNF-QAPCUYQASA-N 1 0 358.388 2.761 20 10 FFCDRO COCCCC[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC001140102198 1035341751 /nfs/dbraw/zinc/34/17/51/1035341751.db2.gz LHAUASZZGHYKAT-UHFFFAOYSA-N 1 0 357.292 2.699 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)c1O ZINC001140180257 1035369846 /nfs/dbraw/zinc/36/98/46/1035369846.db2.gz DCFHYHDLASJVGO-KZNAEPCWSA-N 1 0 372.490 2.700 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000835036795 1035491634 /nfs/dbraw/zinc/49/16/34/1035491634.db2.gz NLJRVSFFFVLYPO-OAJJDEHYSA-N 1 0 370.449 2.524 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000835036792 1035491714 /nfs/dbraw/zinc/49/17/14/1035491714.db2.gz NLJRVSFFFVLYPO-JXCVUKRWSA-N 1 0 370.449 2.524 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052871 1035493176 /nfs/dbraw/zinc/49/31/76/1035493176.db2.gz RWJKARGJJQHPTR-VOTSOKGWSA-N 1 0 367.493 2.723 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052868 1035493387 /nfs/dbraw/zinc/49/33/87/1035493387.db2.gz RWJKARGJJQHPTR-SREVYHEPSA-N 1 0 367.493 2.723 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]21 ZINC001232263147 1035536281 /nfs/dbraw/zinc/53/62/81/1035536281.db2.gz HZAZMJVUZOEZGN-WCQYABFASA-N 1 0 354.834 2.802 20 10 FFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(OC)cc3O)C2)C1=O ZINC001232265174 1035536366 /nfs/dbraw/zinc/53/63/66/1035536366.db2.gz HPOQOHTXHZLXPA-GOSISDBHSA-N 1 0 352.862 2.889 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277211930 1035567897 /nfs/dbraw/zinc/56/78/97/1035567897.db2.gz CGRJABUCPKRZIY-ORAYPTAESA-N 1 0 364.873 2.756 20 10 FFCDRO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001277223707 1035630101 /nfs/dbraw/zinc/63/01/01/1035630101.db2.gz SVXSTXSYXNREEF-OAHLLOKOSA-N 1 0 354.450 2.757 20 10 FFCDRO COC(=O)c1c(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)c2ccccc2n1C ZINC001232405220 1035652960 /nfs/dbraw/zinc/65/29/60/1035652960.db2.gz IKHMTWCGZPGLTK-ZIAGYGMSSA-N 1 0 358.438 2.596 20 10 FFCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661772 1035813306 /nfs/dbraw/zinc/81/33/06/1035813306.db2.gz RYFSIBWTUCXWCJ-MRXNPFEDSA-N 1 0 364.461 2.826 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1O ZINC001140749952 1036053290 /nfs/dbraw/zinc/05/32/90/1036053290.db2.gz PGIYCRQBCQUSMN-UHFFFAOYSA-N 1 0 372.387 2.783 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001232837682 1036089391 /nfs/dbraw/zinc/08/93/91/1036089391.db2.gz LMMSRZWBMCQXOQ-FPOVZHCZSA-N 1 0 367.493 2.796 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001232838097 1036093077 /nfs/dbraw/zinc/09/30/77/1036093077.db2.gz ANHIAUWRWOARQG-UHFFFAOYSA-N 1 0 361.486 2.947 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(O)c1 ZINC001232839849 1036093790 /nfs/dbraw/zinc/09/37/90/1036093790.db2.gz WVKJAKANDOMDKM-VQTJNVASSA-N 1 0 352.482 2.702 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(O)c1 ZINC001232838452 1036095594 /nfs/dbraw/zinc/09/55/94/1036095594.db2.gz KGGKVQRZLDHBIA-FPOVZHCZSA-N 1 0 369.465 2.666 20 10 FFCDRO C[NH+](C)C1CCN(Cc2ccc(I)cc2O)CC1 ZINC001232973927 1036207098 /nfs/dbraw/zinc/20/70/98/1036207098.db2.gz FENUIOLNNHULBG-UHFFFAOYSA-N 1 0 360.239 2.523 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cccc1O)C2 ZINC001277318424 1036232262 /nfs/dbraw/zinc/23/22/62/1036232262.db2.gz QPMNQNDKGMGMSZ-OAQYLSRUSA-N 1 0 358.482 2.718 20 10 FFCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233010012 1036242524 /nfs/dbraw/zinc/24/25/24/1036242524.db2.gz HFHYWUZOMLHUSY-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233011353 1036245731 /nfs/dbraw/zinc/24/57/31/1036245731.db2.gz CAXWPRVTQCDRNL-MRXNPFEDSA-N 1 0 374.481 2.712 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)[C@@H]1c1ccccc1 ZINC001233014258 1036249492 /nfs/dbraw/zinc/24/94/92/1036249492.db2.gz YMXPYQGULSHJRE-IBGZPJMESA-N 1 0 368.433 2.599 20 10 FFCDRO C[N@@H+](Cc1cc(O)c(O)c(O)c1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233016054 1036251861 /nfs/dbraw/zinc/25/18/61/1036251861.db2.gz FNQCVTPRKXRUPL-CYBMUJFWSA-N 1 0 366.458 2.882 20 10 FFCDRO CC1(C)[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]12c1ccccc1OC2=O ZINC001233016311 1036252429 /nfs/dbraw/zinc/25/24/29/1036252429.db2.gz SQAPXUQWIJCVOK-HXUWFJFHSA-N 1 0 355.390 2.645 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c(O)c1 ZINC001140852132 1036284011 /nfs/dbraw/zinc/28/40/11/1036284011.db2.gz CRJHLFXKWWFJMD-ROUUACIJSA-N 1 0 367.497 2.597 20 10 FFCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(Br)cc(C)c3O)CC[N@@H+]2C1 ZINC001233107609 1036354766 /nfs/dbraw/zinc/35/47/66/1036354766.db2.gz FVNZMLMIDFZGQY-JKSUJKDBSA-N 1 0 369.303 2.758 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)CC[C@H]21 ZINC001140922369 1036457688 /nfs/dbraw/zinc/45/76/88/1036457688.db2.gz OQHMSKQRARWKKK-MOPGFXCFSA-N 1 0 365.905 2.618 20 10 FFCDRO CCOC(=O)c1c(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c2ccccc2n1C ZINC001233272999 1036480884 /nfs/dbraw/zinc/48/08/84/1036480884.db2.gz KDFFCBZTSJJGFQ-KXBFYZLASA-N 1 0 355.482 2.881 20 10 FFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc(C(C)(C)C)ccc1O)CCO2 ZINC001233285368 1036492929 /nfs/dbraw/zinc/49/29/29/1036492929.db2.gz CXALLASMUMTZDK-NRFANRHFSA-N 1 0 360.498 2.903 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001140949854 1036545586 /nfs/dbraw/zinc/54/55/86/1036545586.db2.gz INYDWZZFQKHRLN-GHTZIAJQSA-N 1 0 351.450 2.624 20 10 FFCDRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140953450 1036560690 /nfs/dbraw/zinc/56/06/90/1036560690.db2.gz ABVRZTARRFUIMX-HXUWFJFHSA-N 1 0 368.477 2.950 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)CC[C@H]21 ZINC001233452700 1036633345 /nfs/dbraw/zinc/63/33/45/1036633345.db2.gz HIVLNVCBJZEWBB-NVXWUHKLSA-N 1 0 372.387 2.623 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CC[C@H]21 ZINC001233483124 1036651380 /nfs/dbraw/zinc/65/13/80/1036651380.db2.gz OOLCSEIVJLCUHH-TZMCWYRMSA-N 1 0 364.442 2.635 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)cc1O ZINC001233484883 1036653395 /nfs/dbraw/zinc/65/33/95/1036653395.db2.gz ANEJKLRIPIITHZ-UHFFFAOYSA-N 1 0 368.393 2.628 20 10 FFCDRO CN(CC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1)C(=O)OC(C)(C)C ZINC001233485434 1036653674 /nfs/dbraw/zinc/65/36/74/1036653674.db2.gz VOUFTDJAPDSCMJ-UHFFFAOYSA-N 1 0 366.458 2.882 20 10 FFCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCCN1C(=O)OC(C)(C)C ZINC001233486620 1036656307 /nfs/dbraw/zinc/65/63/07/1036656307.db2.gz UZVOLCHOLMPVCG-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO CN1C(=O)CCC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233775999 1036758445 /nfs/dbraw/zinc/75/84/45/1036758445.db2.gz JDQVHGIGXXPEJA-UHFFFAOYSA-N 1 0 358.360 2.878 20 10 FFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(C)c1O ZINC001277439775 1037032719 /nfs/dbraw/zinc/03/27/19/1037032719.db2.gz RLLCFMLBDGIBIQ-IAGOWNOFSA-N 1 0 366.889 2.956 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CCO[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC001234568862 1037094165 /nfs/dbraw/zinc/09/41/65/1037094165.db2.gz FZXLUFCEIOXZLW-SFHVURJKSA-N 1 0 356.466 2.851 20 10 FFCDRO O=C1COCCN1C1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234997863 1037289156 /nfs/dbraw/zinc/28/91/56/1037289156.db2.gz FLQYASVGPPGHCV-UHFFFAOYSA-N 1 0 366.461 2.882 20 10 FFCDRO O=C1COCC2(CC[NH+](Cc3cccc(-c4ccccc4)c3O)CC2)N1 ZINC001235000044 1037289527 /nfs/dbraw/zinc/28/95/27/1037289527.db2.gz HJIFETHFFUYHLA-UHFFFAOYSA-N 1 0 352.434 2.540 20 10 FFCDRO CCN(CC)c1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c(OC)c1 ZINC001235009603 1037300221 /nfs/dbraw/zinc/30/02/21/1037300221.db2.gz WUHCGTIMLFVEGX-NRFANRHFSA-N 1 0 361.530 2.743 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001235056789 1037330566 /nfs/dbraw/zinc/33/05/66/1037330566.db2.gz FWIWABXEBPRVCO-AWEZNQCLSA-N 1 0 350.203 2.980 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001235057052 1037330879 /nfs/dbraw/zinc/33/08/79/1037330879.db2.gz LJASIOGYMSKJFW-CQSZACIVSA-N 1 0 350.203 2.980 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc(N4CCOCC4)c3)CC2)cc1 ZINC001235074475 1037343011 /nfs/dbraw/zinc/34/30/11/1037343011.db2.gz IDONVKSJESROJE-UHFFFAOYSA-N 1 0 367.493 2.854 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)ccc21 ZINC000812333876 1037402231 /nfs/dbraw/zinc/40/22/31/1037402231.db2.gz KJFIUEOJEMNYJF-MOPGFXCFSA-N 1 0 369.509 2.928 20 10 FFCDRO NC(=O)NC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231466723 1037613446 /nfs/dbraw/zinc/61/34/46/1037613446.db2.gz SXMDKLUVDQDYJI-UHFFFAOYSA-N 1 0 355.438 2.604 20 10 FFCDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)[C@H]2C1 ZINC001231467710 1037614017 /nfs/dbraw/zinc/61/40/17/1037614017.db2.gz JRPJKAVKEHBADG-RBDMOPTHSA-N 1 0 369.461 2.943 20 10 FFCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC001231467739 1037614121 /nfs/dbraw/zinc/61/41/21/1037614121.db2.gz KMOHVZGXVFVNFV-SFTDATJTSA-N 1 0 357.450 2.536 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(C)cc(OC)cc2O)CCOCC1 ZINC001207700198 1037666813 /nfs/dbraw/zinc/66/68/13/1037666813.db2.gz MXRPCXAOGVKAFU-CQSZACIVSA-N 1 0 351.443 2.547 20 10 FFCDRO COc1ccc(Br)c(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1O ZINC001231556134 1037679610 /nfs/dbraw/zinc/67/96/10/1037679610.db2.gz XLMFBZDRARWPDL-RISCZKNCSA-N 1 0 355.276 2.689 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)c1O ZINC001231592896 1037711660 /nfs/dbraw/zinc/71/16/60/1037711660.db2.gz VXNGLUHYBDCTJN-UHFFFAOYSA-N 1 0 365.437 2.672 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c1O ZINC001231592198 1037712285 /nfs/dbraw/zinc/71/22/85/1037712285.db2.gz FSVIVJQDDVIPTQ-QGZVFWFLSA-N 1 0 358.482 2.740 20 10 FFCDRO Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c1O ZINC001231593815 1037714266 /nfs/dbraw/zinc/71/42/66/1037714266.db2.gz UYRSSRYBUVZWTF-GHTZIAJQSA-N 1 0 368.481 2.751 20 10 FFCDRO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4cccc(C)c4O)C[C@@H]3C2)cs1 ZINC001231593749 1037715865 /nfs/dbraw/zinc/71/58/65/1037715865.db2.gz UEJOIJAYSRFTGV-PKOBYXMFSA-N 1 0 373.522 2.798 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)cc1O ZINC001231633429 1037753334 /nfs/dbraw/zinc/75/33/34/1037753334.db2.gz OIRBLFMRBOGFQA-KBPBESRZSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231635291 1037756042 /nfs/dbraw/zinc/75/60/42/1037756042.db2.gz FPIUBCXFHIKCJQ-UHFFFAOYSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(O)cc1O ZINC001231634230 1037756140 /nfs/dbraw/zinc/75/61/40/1037756140.db2.gz JQDIZHSQAOICHV-VMPITWQZSA-N 1 0 354.450 2.937 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c(O)cc1O ZINC001231636631 1037758511 /nfs/dbraw/zinc/75/85/11/1037758511.db2.gz YTFZWLCBNVPDRG-VIFPVBQESA-N 1 0 373.331 2.888 20 10 FFCDRO CC[N@H+](Cc1cc(OC)c(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231637610 1037759116 /nfs/dbraw/zinc/75/91/16/1037759116.db2.gz OGWZRPQBEKECLR-AWEZNQCLSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)c(O)cc1O ZINC001231638507 1037760916 /nfs/dbraw/zinc/76/09/16/1037760916.db2.gz CKOBXCDWJYRQMC-UHFFFAOYSA-N 1 0 354.447 2.843 20 10 FFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3O)C2)n1 ZINC001231640880 1037764796 /nfs/dbraw/zinc/76/47/96/1037764796.db2.gz VLZHSMIYSJGUMO-CQSZACIVSA-N 1 0 360.410 2.553 20 10 FFCDRO CC1(C)OC[C@H](C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)O1 ZINC001207931865 1037861953 /nfs/dbraw/zinc/86/19/53/1037861953.db2.gz KPGDLGSWXDIKLV-HNNXBMFYSA-N 1 0 360.376 2.859 20 10 FFCDRO CCN(Cc1ccc(I)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236007635 1037885232 /nfs/dbraw/zinc/88/52/32/1037885232.db2.gz ABOCUTUYXKDVIV-CYBMUJFWSA-N 1 0 360.239 2.571 20 10 FFCDRO CCOC(=O)[C@]12CN(Cc3cc(Cl)c(Cl)cc3O)C[C@H]1C[NH2+]CC2 ZINC001236041254 1037903049 /nfs/dbraw/zinc/90/30/49/1037903049.db2.gz SOKDCBWXMLEUKZ-SJKOYZFVSA-N 1 0 373.280 2.674 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)c(O)c1 ZINC001231843964 1037940544 /nfs/dbraw/zinc/94/05/44/1037940544.db2.gz HWQPGUFIUCIDPM-BBTUJRGHSA-N 1 0 372.509 2.858 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001231851382 1037947554 /nfs/dbraw/zinc/94/75/54/1037947554.db2.gz GVRNSKCZGCTLKY-BGYRXZFFSA-N 1 0 366.509 2.720 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001231852488 1037948180 /nfs/dbraw/zinc/94/81/80/1037948180.db2.gz LMANBLZUGDUOMM-QFIPXVFZSA-N 1 0 371.525 2.986 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001231852801 1037948297 /nfs/dbraw/zinc/94/82/97/1037948297.db2.gz QKPVJTDJARGFII-KURKYZTESA-N 1 0 372.469 2.947 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)cc1Cl ZINC001231871231 1037968763 /nfs/dbraw/zinc/96/87/63/1037968763.db2.gz GJOAMKMZZGIGBV-UHFFFAOYSA-N 1 0 366.889 2.957 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]21 ZINC001231877974 1037971004 /nfs/dbraw/zinc/97/10/04/1037971004.db2.gz BUFJFEKPNZILHH-VAMGGRTRSA-N 1 0 368.477 2.861 20 10 FFCDRO COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236218000 1037990703 /nfs/dbraw/zinc/99/07/03/1037990703.db2.gz RBFPZMMYOWJOMD-UONOGXRCSA-N 1 0 371.275 2.643 20 10 FFCDRO COc1ccc(Br)c(CN2CCC[C@H]([NH2+]C3CC3)C2)c1O ZINC001236218629 1037991040 /nfs/dbraw/zinc/99/10/40/1037991040.db2.gz QYFFGDNSNAHVOH-LBPRGKRZSA-N 1 0 355.276 2.880 20 10 FFCDRO COc1cc(CN(C2CC2)[C@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236238901 1038000501 /nfs/dbraw/zinc/00/05/01/1038000501.db2.gz DEOXAIUGKRKVCL-ZDUSSCGKSA-N 1 0 355.276 2.880 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231909813 1038000744 /nfs/dbraw/zinc/00/07/44/1038000744.db2.gz QCCGGTCUHNXZJD-OLZOCXBDSA-N 1 0 356.850 2.506 20 10 FFCDRO COC(=O)[C@@H](N)[C@H]1CCC[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001236277216 1038018215 /nfs/dbraw/zinc/01/82/15/1038018215.db2.gz UOMVDCOREQAQMW-ICSRJNTNSA-N 1 0 355.482 2.806 20 10 FFCDRO COCCN(Cc1cc(Br)c(C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236326281 1038048399 /nfs/dbraw/zinc/04/83/99/1038048399.db2.gz CBHMJTHNPIKVNP-AWEZNQCLSA-N 1 0 357.292 2.664 20 10 FFCDRO CC(C)N(Cc1cccc(I)c1O)[C@@H]1CC[NH2+]C1 ZINC001236531530 1038119350 /nfs/dbraw/zinc/11/93/50/1038119350.db2.gz ZZCBSYPZVIABMZ-GFCCVEGCSA-N 1 0 360.239 2.569 20 10 FFCDRO Fc1ccc([C@@H]2COCCN2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001236605960 1038151591 /nfs/dbraw/zinc/15/15/91/1038151591.db2.gz XQBRBGBTIOERPY-NRFANRHFSA-N 1 0 355.457 2.809 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](CCC(C)(C)O)CC2)c1 ZINC001236669517 1038182607 /nfs/dbraw/zinc/18/26/07/1038182607.db2.gz KRRKBJSJGIKPGH-UHFFFAOYSA-N 1 0 371.319 2.742 20 10 FFCDRO COc1cc(CN2CCC(F)(F)[C@@H](CO)C2)c(O)cc1Br ZINC001236748686 1038233439 /nfs/dbraw/zinc/23/34/39/1038233439.db2.gz UPHNLUFNLOXHEK-SNVBAGLBSA-N 1 0 366.202 2.613 20 10 FFCDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c(O)cc1Br ZINC001236745189 1038233994 /nfs/dbraw/zinc/23/39/94/1038233994.db2.gz BFLIXGJQJAWTIX-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO COc1cc(O)c(CN2CC3(CCN3Cc3ccccc3)C2)cc1OC ZINC001236752222 1038237944 /nfs/dbraw/zinc/23/79/44/1038237944.db2.gz NIDUXXOILODRPN-UHFFFAOYSA-N 1 0 354.450 2.870 20 10 FFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236752781 1038238816 /nfs/dbraw/zinc/23/88/16/1038238816.db2.gz GUZGSLOIIPYTGM-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cc1OC ZINC001236755639 1038242851 /nfs/dbraw/zinc/24/28/51/1038242851.db2.gz SBRSWIFQHBHWBI-RDJZCZTQSA-N 1 0 368.433 2.504 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001236787334 1038268931 /nfs/dbraw/zinc/26/89/31/1038268931.db2.gz LAOBSFKAPIZUAY-QKNQBKEWSA-N 1 0 361.482 2.597 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)c(O)c1 ZINC001236786468 1038269586 /nfs/dbraw/zinc/26/95/86/1038269586.db2.gz DPMBXWXXCCPBCD-QRVBRYPASA-N 1 0 360.498 2.564 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001236789834 1038270258 /nfs/dbraw/zinc/27/02/58/1038270258.db2.gz SWHDOAKEUGDQBV-NQIIRXRSSA-N 1 0 354.450 2.877 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)c(O)c1 ZINC001236789622 1038271681 /nfs/dbraw/zinc/27/16/81/1038271681.db2.gz PLOXEMVAYYJCNY-OAQYLSRUSA-N 1 0 351.450 2.979 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001236807958 1038281105 /nfs/dbraw/zinc/28/11/05/1038281105.db2.gz IMQPQCAPZMQRPK-IRXDYDNUSA-N 1 0 353.466 2.668 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001236807534 1038282438 /nfs/dbraw/zinc/28/24/38/1038282438.db2.gz FEPCIRRDNXJJIF-SIKLNZKXSA-N 1 0 366.461 2.815 20 10 FFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc3ccccc3cc1O)CCO2 ZINC001236833004 1038295055 /nfs/dbraw/zinc/29/50/55/1038295055.db2.gz SMXGPAJAERDNQB-NRFANRHFSA-N 1 0 354.450 2.759 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3cc4ccccc4cc3O)CC2)ncn1 ZINC001236838133 1038297078 /nfs/dbraw/zinc/29/70/78/1038297078.db2.gz VKRICORCJSDWIN-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/43/72/06/1038437206.db2.gz ZKNQHVSYFUASFZ-UHFFFAOYSA-N 1 0 371.275 2.606 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCOC[C@H]2CC2CC2)[NH+](C)C)cc1 ZINC001256236363 1038443826 /nfs/dbraw/zinc/44/38/26/1038443826.db2.gz GAJWHRLJPGGPOZ-WOJBJXKFSA-N 1 0 374.529 2.566 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC001276604462 1038609551 /nfs/dbraw/zinc/60/95/51/1038609551.db2.gz VWOJAZCJWHLCNC-KPFFTGBYSA-N 1 0 360.498 2.803 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@@H](C)Cc3ccncc3)CC2)cc1 ZINC001256750188 1038618332 /nfs/dbraw/zinc/61/83/32/1038618332.db2.gz SHBWRSYDEPAYCS-SFHVURJKSA-N 1 0 355.482 2.860 20 10 FFCDRO CCOC(=O)CC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209040479 1038645525 /nfs/dbraw/zinc/64/55/25/1038645525.db2.gz NNQPREGGHGBRDM-UHFFFAOYSA-N 1 0 369.465 2.736 20 10 FFCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC001251347586 1039082507 /nfs/dbraw/zinc/08/25/07/1039082507.db2.gz RGVCJSAPCIJRTF-IBGZPJMESA-N 1 0 350.459 2.552 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCSC(C)(C)C2)[NH+](C)C)cc1 ZINC001251500547 1039157852 /nfs/dbraw/zinc/15/78/52/1039157852.db2.gz GZELNKPSFFRQGE-KRWDZBQOSA-N 1 0 364.559 2.892 20 10 FFCDRO Oc1cc(O)c(CC[NH2+]C[C@@H](O)COc2cccc3ccccc32)cc1O ZINC001252395798 1039528118 /nfs/dbraw/zinc/52/81/18/1039528118.db2.gz JERSFPXJAMCANN-MRXNPFEDSA-N 1 0 369.417 2.529 20 10 FFCDRO O=C1C[C@@H]([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CN1 ZINC001247006223 1039576500 /nfs/dbraw/zinc/57/65/00/1039576500.db2.gz UQSYRTAQXXISOZ-QGZVFWFLSA-N 1 0 362.433 2.505 20 10 FFCDRO CCC[C@@H](O)C[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001252781970 1039702214 /nfs/dbraw/zinc/70/22/14/1039702214.db2.gz YTHPYVMDUGRXMO-TZIWHRDSSA-N 1 0 362.514 2.775 20 10 FFCDRO COCCOCN1CC2(C1)CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001278685612 1039762028 /nfs/dbraw/zinc/76/20/28/1039762028.db2.gz BKIWXJQWHXOOIN-UHFFFAOYSA-N 1 0 361.530 2.579 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@]3(C)C[NH2+]CC[C@H]3O)n2)cc1 ZINC001247749530 1039931088 /nfs/dbraw/zinc/93/10/88/1039931088.db2.gz IFCAPIOJYPHUDE-XLIONFOSSA-N 1 0 352.438 2.756 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)cc1 ZINC001253105524 1039984315 /nfs/dbraw/zinc/98/43/15/1039984315.db2.gz MFMOPFCRIPZTBZ-QFIPXVFZSA-N 1 0 370.493 2.742 20 10 FFCDRO CC[NH+](CC)C[C@@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001253173390 1040021852 /nfs/dbraw/zinc/02/18/52/1040021852.db2.gz CPSBDVRNFIMLMY-AWEZNQCLSA-N 1 0 352.434 2.577 20 10 FFCDRO C[NH+]1CCC(COc2ccccc2NC[C@H](O)COC(C)(C)C)CC1 ZINC001253465433 1040195105 /nfs/dbraw/zinc/19/51/05/1040195105.db2.gz ABCVEMDSFDQHOA-KRWDZBQOSA-N 1 0 350.503 2.995 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1I ZINC001248462327 1040287279 /nfs/dbraw/zinc/28/72/79/1040287279.db2.gz UVDOWENASFVJFH-UHFFFAOYSA-N 1 0 359.207 2.991 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001278751420 1040474995 /nfs/dbraw/zinc/47/49/95/1040474995.db2.gz ZSJBMMOKEUYASE-ZIFCJYIRSA-N 1 0 354.450 2.795 20 10 FFCDRO CC(C)Oc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001254017578 1040521924 /nfs/dbraw/zinc/52/19/24/1040521924.db2.gz XNZBLAPZVGEPIB-GOSISDBHSA-N 1 0 357.450 2.938 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001249201239 1040626578 /nfs/dbraw/zinc/62/65/78/1040626578.db2.gz LSHKFXHQRCPWSD-SFHVURJKSA-N 1 0 356.422 2.546 20 10 FFCDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201371 1040626884 /nfs/dbraw/zinc/62/68/84/1040626884.db2.gz QBOVJACTMZJYBY-UHFFFAOYSA-N 1 0 363.454 2.663 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)c(O)c1 ZINC001249215228 1040631247 /nfs/dbraw/zinc/63/12/47/1040631247.db2.gz XEGLFYSGVCQBDU-FQEVSTJZSA-N 1 0 366.461 2.523 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C[C@@H]1C ZINC001249217872 1040633285 /nfs/dbraw/zinc/63/32/85/1040633285.db2.gz UAPFLXGSYBFSIP-HOCLYGCPSA-N 1 0 363.454 2.519 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001249218475 1040634558 /nfs/dbraw/zinc/63/45/58/1040634558.db2.gz XDOVXNCKIJNIFV-RTBURBONSA-N 1 0 366.461 2.676 20 10 FFCDRO Oc1cc(O)c(CC[NH2+][C@H]2Cc3ccc(Br)cc3C2)cc1O ZINC001254268132 1040650334 /nfs/dbraw/zinc/65/03/34/1040650334.db2.gz YTAMOKXRESXBIW-AWEZNQCLSA-N 1 0 364.239 2.865 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001254736580 1040920802 /nfs/dbraw/zinc/92/08/02/1040920802.db2.gz GWUWLIBFBZVVEU-GOEBONIOSA-N 1 0 366.527 2.900 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c(O)c1 ZINC001249735406 1040968321 /nfs/dbraw/zinc/96/83/21/1040968321.db2.gz MWDUTZSZBRGUPA-LJQANCHMSA-N 1 0 365.470 2.971 20 10 FFCDRO C[NH+](C)CCNC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001249843221 1041034421 /nfs/dbraw/zinc/03/44/21/1041034421.db2.gz PPZHTVHVPLPMJX-UHFFFAOYSA-N 1 0 362.886 2.814 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1CC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001278552424 1041118404 /nfs/dbraw/zinc/11/84/04/1041118404.db2.gz UJHXTEYHQZZTIF-UHFFFAOYSA-N 1 0 353.466 2.778 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)c(Br)cc2O)CC12CC2 ZINC001250135552 1041126724 /nfs/dbraw/zinc/12/67/24/1041126724.db2.gz DTUVWETXNGYSOF-GFCCVEGCSA-N 1 0 354.244 2.848 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1C ZINC001266175973 1042899809 /nfs/dbraw/zinc/89/98/09/1042899809.db2.gz XTRZHDBWGDXOII-CGTJXYLNSA-N 1 0 370.497 2.525 20 10 FFCDRO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001279192619 1042940751 /nfs/dbraw/zinc/94/07/51/1042940751.db2.gz QNBFYZSQHHLKEV-YOEHRIQHSA-N 1 0 360.454 2.868 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2c(C)ccc(C)c2O)CCC1 ZINC001279232477 1042957625 /nfs/dbraw/zinc/95/76/25/1042957625.db2.gz CRKZAPWMIWYQSC-CALCHBBNSA-N 1 0 358.482 2.753 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(CN2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001279281047 1042982050 /nfs/dbraw/zinc/98/20/50/1042982050.db2.gz BLNMQKCZNWEVIB-UHFFFAOYSA-N 1 0 352.526 2.916 20 10 FFCDRO Cc1ncsc1CN1C[C@@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)[C@@H]2C1 ZINC001279312909 1042995694 /nfs/dbraw/zinc/99/56/94/1042995694.db2.gz IWJLHECRWUEEBN-GOEBONIOSA-N 1 0 359.495 2.877 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CN(C(=O)NCC(F)(F)F)C3)CC2)c(O)c1 ZINC001279337503 1043010052 /nfs/dbraw/zinc/01/00/52/1043010052.db2.gz BLXIEQVJEYNPDA-UHFFFAOYSA-N 1 0 371.403 2.870 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001237214404 1043055578 /nfs/dbraw/zinc/05/55/78/1043055578.db2.gz GRLHSAPUWKYYIH-IBGZPJMESA-N 1 0 350.503 2.992 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@H]21 ZINC001237490391 1043205417 /nfs/dbraw/zinc/20/54/17/1043205417.db2.gz ULLGTDOCURQYKB-SZVBFZGTSA-N 1 0 355.438 2.549 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2ccccc2n(C)c1C ZINC001279542669 1043237264 /nfs/dbraw/zinc/23/72/64/1043237264.db2.gz YMOZIFIOECRCNU-HDICACEKSA-N 1 0 357.498 2.756 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(O)c(OC)c1 ZINC001237674577 1043303144 /nfs/dbraw/zinc/30/31/44/1043303144.db2.gz IYBHZLBNRHJUSX-UHFFFAOYSA-N 1 0 357.454 2.512 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c1O ZINC001237686710 1043313646 /nfs/dbraw/zinc/31/36/46/1043313646.db2.gz LVQYYABIFYTJGV-UHFFFAOYSA-N 1 0 352.862 2.614 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3cc4ccccc4cc3O)[C@@H]2C1 ZINC001279667677 1043433542 /nfs/dbraw/zinc/43/35/42/1043433542.db2.gz WFAODZAXXNVFFS-AZUAARDMSA-N 1 0 356.466 2.672 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237938805 1043443271 /nfs/dbraw/zinc/44/32/71/1043443271.db2.gz POUCQEPUNVGGLE-GFCCVEGCSA-N 1 0 352.841 2.575 20 10 FFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3c(O)cccc3OC(F)(F)F)C2)C1 ZINC001279680374 1043456059 /nfs/dbraw/zinc/45/60/59/1043456059.db2.gz AWLHZBOXWOPJJL-MRXNPFEDSA-N 1 0 360.376 2.587 20 10 FFCDRO Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC001238058356 1043506257 /nfs/dbraw/zinc/50/62/57/1043506257.db2.gz QYHBGFLJVUCPHE-MRXNPFEDSA-N 1 0 368.449 2.907 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001238062881 1043508900 /nfs/dbraw/zinc/50/89/00/1043508900.db2.gz YQGZFXCTBHDUTP-SJLPKXTDSA-N 1 0 358.461 2.527 20 10 FFCDRO Cc1cc(F)cc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c1O ZINC001238061985 1043508974 /nfs/dbraw/zinc/50/89/74/1043508974.db2.gz RYSFTALPNZXKGD-LSBZLQRGSA-N 1 0 373.428 2.688 20 10 FFCDRO Cc1cc(F)cc(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1O ZINC001238061987 1043509302 /nfs/dbraw/zinc/50/93/02/1043509302.db2.gz RYSFTALPNZXKGD-UCLAIMLFSA-N 1 0 373.428 2.688 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c1O ZINC001238068785 1043515565 /nfs/dbraw/zinc/51/55/65/1043515565.db2.gz FUNZPWMBTFMVBN-INIZCTEOSA-N 1 0 352.450 2.735 20 10 FFCDRO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001279726281 1043536395 /nfs/dbraw/zinc/53/63/95/1043536395.db2.gz JEZDCRSIXNZVNU-OXQOHEQNSA-N 1 0 360.454 2.644 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cn[nH]c3)C2)cc1 ZINC001279744190 1043574300 /nfs/dbraw/zinc/57/43/00/1043574300.db2.gz RQYALEBJQNFMNB-OXQOHEQNSA-N 1 0 353.470 2.717 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)CCOC)cc1 ZINC001279748242 1043580173 /nfs/dbraw/zinc/58/01/73/1043580173.db2.gz WWGABZPDMGGATF-NQIIRXRSSA-N 1 0 359.514 2.602 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2)N1CCCC12CC2 ZINC001279845892 1043764838 /nfs/dbraw/zinc/76/48/38/1043764838.db2.gz MRVVLIKGEXQAIB-KRWDZBQOSA-N 1 0 356.466 2.855 20 10 FFCDRO O=C(NCC1COC1)[C@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279968194 1044001628 /nfs/dbraw/zinc/00/16/28/1044001628.db2.gz HQIBUWXMSNRARH-KRWDZBQOSA-N 1 0 358.482 2.537 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001239072035 1044006978 /nfs/dbraw/zinc/00/69/78/1044006978.db2.gz ZUEOTOJVZGWTIP-PXKHIBQASA-N 1 0 373.482 2.890 20 10 FFCDRO O=C(NCCc1ccccn1)C12CC([NH2+]Cc3cc(Cl)ccc3O)(C1)C2 ZINC001279982305 1044030561 /nfs/dbraw/zinc/03/05/61/1044030561.db2.gz QFIGBQDTHNERBY-UHFFFAOYSA-N 1 0 371.868 2.812 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)c1O ZINC001279982051 1044032650 /nfs/dbraw/zinc/03/26/50/1044032650.db2.gz UNXFPABHGHBEMR-INIZCTEOSA-N 1 0 360.454 2.557 20 10 FFCDRO Cn1ccnc1NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279982745 1044033187 /nfs/dbraw/zinc/03/31/87/1044033187.db2.gz WPAOPVNKQOCTCD-FVCICTRLSA-N 1 0 374.872 2.876 20 10 FFCDRO Cc1cc(CN2CCC3(C[NH+](Cc4cc(F)cc(C)c4O)C3)C2)n(C)n1 ZINC001280027593 1044100940 /nfs/dbraw/zinc/10/09/40/1044100940.db2.gz FSWWALAPXBLSEB-UHFFFAOYSA-N 1 0 358.461 2.590 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)c1O ZINC001280031057 1044107357 /nfs/dbraw/zinc/10/73/57/1044107357.db2.gz DMYVJPHOENOMIY-HDICACEKSA-N 1 0 357.429 2.789 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001280035263 1044112573 /nfs/dbraw/zinc/11/25/73/1044112573.db2.gz PXAHCLNIYCPURQ-KRWDZBQOSA-N 1 0 359.514 2.975 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC001312819000 1044176690 /nfs/dbraw/zinc/17/66/90/1044176690.db2.gz SCBYNIOALQANFQ-JKSUJKDBSA-N 1 0 354.445 2.842 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001280294627 1044564347 /nfs/dbraw/zinc/56/43/47/1044564347.db2.gz VNPUGUYREBZMDL-FXAWDEMLSA-N 1 0 364.461 2.628 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)nc2-c2cnn(C3CC[NH2+]CC3)c2)n1C ZINC001241773293 1044596413 /nfs/dbraw/zinc/59/64/13/1044596413.db2.gz CPMMZOATTQCERP-UHFFFAOYSA-N 1 0 367.453 2.846 20 10 FFCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1ccnc1 ZINC001319493752 1045171913 /nfs/dbraw/zinc/17/19/13/1045171913.db2.gz JFWFIBSLPMYWOY-CZUORRHYSA-N 1 0 362.861 2.584 20 10 FFCDRO CSc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)ccn1 ZINC001319995840 1045322122 /nfs/dbraw/zinc/32/21/22/1045322122.db2.gz YTLFIJBKRGECJI-UHFFFAOYSA-N 1 0 360.502 2.984 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC001320131528 1045353766 /nfs/dbraw/zinc/35/37/66/1045353766.db2.gz TUDLHNBDCWSHGY-WBVHZDCISA-N 1 0 374.506 2.958 20 10 FFCDRO CCOc1ccc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1OC ZINC001323285099 1045532528 /nfs/dbraw/zinc/53/25/28/1045532528.db2.gz BGLLQDYJWXEROA-KRWDZBQOSA-N 1 0 359.422 2.857 20 10 FFCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001323930391 1045780798 /nfs/dbraw/zinc/78/07/98/1045780798.db2.gz MEGOTTOBSUBHHP-GOSISDBHSA-N 1 0 369.469 2.502 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC001324445235 1046034656 /nfs/dbraw/zinc/03/46/56/1046034656.db2.gz VYBKRKBZJKOBGK-UHFFFAOYSA-N 1 0 359.514 2.854 20 10 FFCDRO Cc1nc(CSCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC001326353179 1046893163 /nfs/dbraw/zinc/89/31/63/1046893163.db2.gz LUQVGEZBNRNGHD-INIZCTEOSA-N 1 0 364.540 2.567 20 10 FFCDRO CCn1cc(Cl)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001289601968 1047708306 /nfs/dbraw/zinc/70/83/06/1047708306.db2.gz HVRHREYRMXIIDH-INIZCTEOSA-N 1 0 363.893 2.655 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC001331566239 1048008058 /nfs/dbraw/zinc/00/80/58/1048008058.db2.gz OXDJSPOLVQNVHJ-UHFFFAOYSA-N 1 0 371.525 2.746 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001329042170 1048561622 /nfs/dbraw/zinc/56/16/22/1048561622.db2.gz UOYHLEOQTBICQU-HDICACEKSA-N 1 0 351.450 2.540 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)C(C)(C)C[NH+]3CCOCC3)cc2)CC1 ZINC001293146023 1049493717 /nfs/dbraw/zinc/49/37/17/1049493717.db2.gz SSCYFNLVFOAQDG-UHFFFAOYSA-N 1 0 373.541 2.898 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC001331273271 1049543288 /nfs/dbraw/zinc/54/32/88/1049543288.db2.gz XDCRHSCAAYGAOT-HZPDHXFCSA-N 1 0 369.303 2.888 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001295275199 1049913124 /nfs/dbraw/zinc/91/31/24/1049913124.db2.gz JUAFWQMNCBKNBQ-GOSISDBHSA-N 1 0 359.514 2.854 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001341629345 1050255473 /nfs/dbraw/zinc/25/54/73/1050255473.db2.gz DCIJMLMJJMTSQD-NRSPTQNISA-N 1 0 371.525 2.792 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001341689016 1050310767 /nfs/dbraw/zinc/31/07/67/1050310767.db2.gz NKHZRIIYMWIHPF-UHFFFAOYSA-N 1 0 356.470 2.870 20 10 FFCDRO [NH3+]C1CC(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC001340063617 1050472304 /nfs/dbraw/zinc/47/23/04/1050472304.db2.gz QIMLWWPVBMRHNE-UHFFFAOYSA-N 1 0 353.413 2.500 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC001340649893 1051024598 /nfs/dbraw/zinc/02/45/98/1051024598.db2.gz OHGWNXHPGQPAQA-KRWDZBQOSA-N 1 0 367.449 2.657 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)cc1F ZINC001308380238 1052451704 /nfs/dbraw/zinc/45/17/04/1052451704.db2.gz GIYRRBIVMILKFF-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308882733 1052512344 /nfs/dbraw/zinc/51/23/44/1052512344.db2.gz ADPJKUCFVUSERG-LJQANCHMSA-N 1 0 359.901 2.951 20 10 FFCDRO CC[C@@H](C)C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC ZINC001346042878 1052719722 /nfs/dbraw/zinc/71/97/22/1052719722.db2.gz FJZZORWPELDXEH-CRAIPNDOSA-N 1 0 365.493 2.645 20 10 FFCDRO CC[C@H](C)C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC ZINC001346042881 1052719813 /nfs/dbraw/zinc/71/98/13/1052719813.db2.gz FJZZORWPELDXEH-MAUKXSAKSA-N 1 0 365.493 2.645 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001346738154 1053272996 /nfs/dbraw/zinc/27/29/96/1053272996.db2.gz DSQTWIBJPXGUDQ-UHFFFAOYSA-N 1 0 368.481 2.695 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001337798124 1055023286 /nfs/dbraw/zinc/02/32/86/1055023286.db2.gz DKOPWEAQUAXADN-HZSPNIEDSA-N 1 0 352.500 2.980 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001352101019 1055191434 /nfs/dbraw/zinc/19/14/34/1055191434.db2.gz WOGKQLDVVYXGTB-FTMUDOFOSA-N 1 0 373.453 2.948 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1O ZINC000848881339 1055296046 /nfs/dbraw/zinc/29/60/46/1055296046.db2.gz OHYKAVWQIZQZBB-UHFFFAOYSA-N 1 0 353.466 2.711 20 10 FFCDRO [NH3+][C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001357363088 1055878820 /nfs/dbraw/zinc/87/88/20/1055878820.db2.gz WAUYVRQAYFCYCP-FQEVSTJZSA-N 1 0 362.477 2.954 20 10 FFCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC001357873550 1056049870 /nfs/dbraw/zinc/04/98/70/1056049870.db2.gz MRLJWXYRUYEKJR-HXUWFJFHSA-N 1 0 359.514 2.562 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)cc1 ZINC001353330420 1056301952 /nfs/dbraw/zinc/30/19/52/1056301952.db2.gz SJQQVJDBYWCIQM-BXUZGUMPSA-N 1 0 368.346 2.812 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001452022640 1059173388 /nfs/dbraw/zinc/17/33/88/1059173388.db2.gz DJHGHTNYJMJOLL-ROUUACIJSA-N 1 0 359.514 2.758 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1O ZINC001460621032 1061035486 /nfs/dbraw/zinc/03/54/86/1061035486.db2.gz NFTHXAHMCZNBCB-GOSISDBHSA-N 1 0 362.357 2.639 20 10 FFCDRO CCN(C)c1ccc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)cc1 ZINC001460938212 1061156760 /nfs/dbraw/zinc/15/67/60/1061156760.db2.gz PTHNJMGRHWMQIJ-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(C(N)=O)c3)cc2F)C[C@@H](C)O1 ZINC001461068612 1061203447 /nfs/dbraw/zinc/20/34/47/1061203447.db2.gz WUUYVFJJLVXQLG-HUUCEWRRSA-N 1 0 371.456 2.828 20 10 FFCDRO CCC1(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCOCC1 ZINC001461087218 1061207231 /nfs/dbraw/zinc/20/72/31/1061207231.db2.gz PXHBUOQPTXORLI-GOSISDBHSA-N 1 0 359.514 2.685 20 10 FFCDRO CC[C@H]1C[C@@H](C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC001461111731 1061213939 /nfs/dbraw/zinc/21/39/39/1061213939.db2.gz BYCIXAVVMGSSEJ-ICSRJNTNSA-N 1 0 361.530 2.612 20 10 FFCDRO COC(=O)COc1ccc(C[N@H+](C)Cc2c(C)cc(OC)cc2O)cc1 ZINC001462119033 1061509643 /nfs/dbraw/zinc/50/96/43/1061509643.db2.gz SKXDDZVJVHCCDM-UHFFFAOYSA-N 1 0 359.422 2.893 20 10 FFCDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462470975 1061637117 /nfs/dbraw/zinc/63/71/17/1061637117.db2.gz ZSWVAUDMEPMZMQ-UHFFFAOYSA-N 1 0 368.437 2.585 20 10 FFCDRO COc1ccc(C[NH2+]CC2(Br)CC2)cc1Cn1cccn1 ZINC001462630234 1061698330 /nfs/dbraw/zinc/69/83/30/1061698330.db2.gz SMLQUXHTMJRRKF-UHFFFAOYSA-N 1 0 350.260 2.957 20 10 FFCDRO CO[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465952153 1063276529 /nfs/dbraw/zinc/27/65/29/1063276529.db2.gz WJRDROLIQLUAOG-LZLYRXPVSA-N 1 0 366.889 2.941 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001467944740 1063891273 /nfs/dbraw/zinc/89/12/73/1063891273.db2.gz ACIMBDRINLTMHZ-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001471518485 1064705133 /nfs/dbraw/zinc/70/51/33/1064705133.db2.gz AOXBIXODLXEKJP-FQEVSTJZSA-N 1 0 353.466 2.660 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]nc2C(C)(C)C)[NH+](C)C)cc1 ZINC001472281190 1064997886 /nfs/dbraw/zinc/99/78/86/1064997886.db2.gz RURGWRZXDGVFEA-QGZVFWFLSA-N 1 0 357.502 2.806 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3cc[nH]c3n2)[NH+](C)C)cc1 ZINC001472280506 1064998222 /nfs/dbraw/zinc/99/82/22/1064998222.db2.gz FOMCNIDLKSUSKP-GOSISDBHSA-N 1 0 351.454 2.662 20 10 FFCDRO CC(C)OCCn1c([C@H]2CCC[NH2+]C2)nnc1N(C)Cc1ccccc1O ZINC001575779031 1078167631 /nfs/dbraw/zinc/16/76/31/1078167631.db2.gz MEWWKROISDKYCX-INIZCTEOSA-N 1 0 373.501 2.512 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CC3(O)CCCCC3)CC2)cc1 ZINC001473114696 1065203283 /nfs/dbraw/zinc/20/32/83/1065203283.db2.gz HELBFNPZLKMALE-IBGZPJMESA-N 1 0 362.514 2.654 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1ccccc1O ZINC001473723772 1065332013 /nfs/dbraw/zinc/33/20/13/1065332013.db2.gz LLRTULHMJFEYQD-INIZCTEOSA-N 1 0 364.449 2.604 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCCC[C@@H]1C ZINC001473933213 1065422026 /nfs/dbraw/zinc/42/20/26/1065422026.db2.gz JEMYGAAUVUSLRX-ROUUACIJSA-N 1 0 362.537 2.930 20 10 FFCDRO COc1ccc(C[NH2+]C2(C(=O)NCC(C)C)CCCC2)c(O)c1OC ZINC001474457782 1065527612 /nfs/dbraw/zinc/52/76/12/1065527612.db2.gz VMPKISIIHKXYTC-UHFFFAOYSA-N 1 0 350.459 2.584 20 10 FFCDRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474510622 1065539650 /nfs/dbraw/zinc/53/96/50/1065539650.db2.gz MRNNPSBTRZQIDZ-CVEARBPZSA-N 1 0 368.861 2.915 20 10 FFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC001577939621 1078414130 /nfs/dbraw/zinc/41/41/30/1078414130.db2.gz MNIIDBBVYXOQDB-UHFFFAOYSA-N 1 0 359.466 2.816 20 10 FFCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1ccc(-c2nccs2)cc1 ZINC001578392820 1078468940 /nfs/dbraw/zinc/46/89/40/1078468940.db2.gz NNJOIRHEULVPMF-CYBMUJFWSA-N 1 0 353.451 2.887 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)cc1F ZINC001578426228 1078472878 /nfs/dbraw/zinc/47/28/78/1078472878.db2.gz ZTKWMPQBZRMFFT-QZTJIDSGSA-N 1 0 355.457 2.586 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC001578424633 1078472919 /nfs/dbraw/zinc/47/29/19/1078472919.db2.gz PUZVVKDNMDPSCE-CTNGQTDRSA-N 1 0 353.466 2.575 20 10 FFCDRO C[NH2+][C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001578615118 1078503225 /nfs/dbraw/zinc/50/32/25/1078503225.db2.gz JDTKCRPJXGYIKL-INIZCTEOSA-N 1 0 374.508 2.528 20 10 FFCDRO C[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H]1CC[NH3+] ZINC001579433036 1078629085 /nfs/dbraw/zinc/62/90/85/1078629085.db2.gz ILUASPYAMFFKMD-HUUCEWRRSA-N 1 0 364.453 2.845 20 10 FFCDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC001580885948 1078885308 /nfs/dbraw/zinc/88/53/08/1078885308.db2.gz SIZQQGWEOXUHRV-ZDUSSCGKSA-N 1 0 355.276 2.546 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001583476441 1079221008 /nfs/dbraw/zinc/22/10/08/1079221008.db2.gz VCKQCFQPRDXYCW-UHFFFAOYSA-N 1 0 363.383 2.786 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H](F)Cc3ccccc3)cc2)CC1 ZINC001583476069 1079220488 /nfs/dbraw/zinc/22/04/88/1079220488.db2.gz ROHDWDIBIGHSHZ-HXUWFJFHSA-N 1 0 355.457 2.635 20 10 FFCDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562966236 1074801507 /nfs/dbraw/zinc/80/15/07/1074801507.db2.gz RFMXYNFOBGTYKQ-UHFFFAOYSA-N 1 0 364.453 2.954 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001557149751 1075813912 /nfs/dbraw/zinc/81/39/12/1075813912.db2.gz UXQBEIDWMPEVMK-AVRDEDQJSA-N 1 0 366.461 2.908 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001557149755 1075813966 /nfs/dbraw/zinc/81/39/66/1075813966.db2.gz UXQBEIDWMPEVMK-PGRDOPGGSA-N 1 0 366.461 2.908 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC001557357296 1075842606 /nfs/dbraw/zinc/84/26/06/1075842606.db2.gz UTZWAQMMGNVEGR-UHFFFAOYSA-N 1 0 369.509 2.764 20 10 FFCDRO COC(=O)CN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)Cc1cc(Cl)ccc1O ZINC001559607382 1076176538 /nfs/dbraw/zinc/17/65/38/1076176538.db2.gz JZFIWBBKWBQDIK-HUUCEWRRSA-N 1 0 368.905 2.999 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2CN(c3ccncn3)C2)c(C(F)(F)F)c1 ZINC001560565396 1076280118 /nfs/dbraw/zinc/28/01/18/1076280118.db2.gz CFUQHGDJOMFXPZ-UHFFFAOYSA-N 1 0 351.376 2.540 20 10 FFCDRO COC(=O)c1c(CNC[C@H]2CCCC[N@H+](C)C2)c2cc(F)ccc2n1C ZINC001560933551 1076310850 /nfs/dbraw/zinc/31/08/50/1076310850.db2.gz SDONYBVRFRSXMK-CQSZACIVSA-N 1 0 361.461 2.926 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC001560958653 1076313678 /nfs/dbraw/zinc/31/36/78/1076313678.db2.gz XUZDKPHEDUCGDS-HXUWFJFHSA-N 1 0 355.482 2.901 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C ZINC001568923222 1077118973 /nfs/dbraw/zinc/11/89/73/1077118973.db2.gz MPHXOBMLAFLYDH-YIYNPQHWSA-N 1 0 365.477 2.964 20 10 FFCDRO COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001571311811 1077246314 /nfs/dbraw/zinc/24/63/14/1077246314.db2.gz OQNZRKWSBPHDJK-UIXUWTQFSA-N 1 0 360.498 2.946 20 10 FFCDRO CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001589178694 1080397668 /nfs/dbraw/zinc/39/76/68/1080397668.db2.gz GYMARFBQLJUTGY-LTGZKZEYSA-N 1 0 365.477 2.742 20 10 FFCDRO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589961210 1080905317 /nfs/dbraw/zinc/90/53/17/1080905317.db2.gz KMKSAJLUCFRZHJ-HNNXBMFYSA-N 1 0 358.490 2.879 20 10 FFCDRO C[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001589965503 1080907626 /nfs/dbraw/zinc/90/76/26/1080907626.db2.gz HRDDBDSBDWSCAE-GFCCVEGCSA-N 1 0 367.413 2.692 20 10 FFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC001620623624 1126241213 /nfs/dbraw/zinc/24/12/13/1126241213.db2.gz CSQSDVRIYIZIMQ-FQEVSTJZSA-N 1 0 361.413 2.826 20 10 FFCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000359997110 533405650 /nfs/dbraw/zinc/40/56/50/533405650.db2.gz SPNPELYNBAMMAO-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1C ZINC000065981192 506406854 /nfs/dbraw/zinc/40/68/54/506406854.db2.gz ZRIINFTUQXEBAI-UHFFFAOYSA-N 1 0 372.465 2.769 20 10 FFCDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090084021 507907197 /nfs/dbraw/zinc/90/71/97/507907197.db2.gz RLEAOOILUUGYCA-MRXNPFEDSA-N 1 0 366.477 2.899 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1C ZINC000092883397 508106549 /nfs/dbraw/zinc/10/65/49/508106549.db2.gz DXRXWPGLEPVLCU-UHFFFAOYSA-N 1 0 355.438 2.546 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNCc3nc(C)cs3)CC2)cc1 ZINC000117381838 508596445 /nfs/dbraw/zinc/59/64/45/508596445.db2.gz RJXFSTSWHMENKI-UHFFFAOYSA-N 1 0 360.527 2.762 20 10 FFCDRO CN(C)c1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1F ZINC000377698003 512405801 /nfs/dbraw/zinc/40/58/01/512405801.db2.gz PARRTUWQTCCLMY-DFNIBXOVSA-N 1 0 360.521 2.635 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Br)ccc1O ZINC000371466638 512419148 /nfs/dbraw/zinc/41/91/48/512419148.db2.gz QVQDMNDGQWEHPW-HLLBOEOZSA-N 1 0 369.303 2.838 20 10 FFCDRO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)[nH]1 ZINC000160176297 508949830 /nfs/dbraw/zinc/94/98/30/508949830.db2.gz YDPVLQHAMUUMIJ-QGZVFWFLSA-N 1 0 357.454 2.603 20 10 FFCDRO COc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000125423786 508980429 /nfs/dbraw/zinc/98/04/29/508980429.db2.gz JMJGRLWTEOVTMM-NRFANRHFSA-N 1 0 356.466 2.996 20 10 FFCDRO CC[N@H+](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000152011771 509129588 /nfs/dbraw/zinc/12/95/88/509129588.db2.gz DLFGXYAHXOPVOS-UHFFFAOYSA-N 1 0 367.440 2.857 20 10 FFCDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000121322903 509166311 /nfs/dbraw/zinc/16/63/11/509166311.db2.gz YNZLSZSDJAZYHD-UHFFFAOYSA-N 1 0 358.438 2.925 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163048712 509334173 /nfs/dbraw/zinc/33/41/73/509334173.db2.gz SOBCOQKIYUCEOL-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000182671784 509363013 /nfs/dbraw/zinc/36/30/13/509363013.db2.gz YHVQJNVSABEIHY-INIZCTEOSA-N 1 0 370.449 2.548 20 10 FFCDRO CN(C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)C(=O)OC(C)(C)C ZINC000264301995 509443939 /nfs/dbraw/zinc/44/39/39/509443939.db2.gz RQSUBZDJHGLVQG-ZDUSSCGKSA-N 1 0 364.442 2.810 20 10 FFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)C1 ZINC000186109053 509526296 /nfs/dbraw/zinc/52/62/96/509526296.db2.gz TWFGAACLBOOIQI-PWSUYJOCSA-N 1 0 356.264 2.609 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCN1C(=O)CNC1=O)Cc1ccccc1O ZINC000179647963 509554052 /nfs/dbraw/zinc/55/40/52/509554052.db2.gz QHIZEMGWKNKCRY-HNNXBMFYSA-N 1 0 353.422 2.507 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000179662189 509561297 /nfs/dbraw/zinc/56/12/97/509561297.db2.gz XPRPBAVIRNVJBH-UHFFFAOYSA-N 1 0 367.287 2.954 20 10 FFCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000237126713 509577960 /nfs/dbraw/zinc/57/79/60/509577960.db2.gz YWDRMEFVEVDAAJ-UHFFFAOYSA-N 1 0 354.450 2.724 20 10 FFCDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000166651189 509613433 /nfs/dbraw/zinc/61/34/33/509613433.db2.gz KFQHCZNRBSGIRT-WVFSVQOHSA-N 1 0 356.441 2.971 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1sccc1C[NH+](C)C ZINC000268041670 509731645 /nfs/dbraw/zinc/73/16/45/509731645.db2.gz QEBRFPXGRAMAOL-UHFFFAOYSA-N 1 0 373.522 2.919 20 10 FFCDRO FC(F)(F)CN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000237857123 509753280 /nfs/dbraw/zinc/75/32/80/509753280.db2.gz INHPJZVWFTWAED-UHFFFAOYSA-N 1 0 357.420 2.640 20 10 FFCDRO OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)ccc1O ZINC000180142221 509774879 /nfs/dbraw/zinc/77/48/79/509774879.db2.gz UXCNGJCNNSQFMT-UHFFFAOYSA-N 1 0 355.413 2.771 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccccc1O ZINC000183461318 509803772 /nfs/dbraw/zinc/80/37/72/509803772.db2.gz UMWSVKQZDZKQAL-QGZVFWFLSA-N 1 0 356.466 2.954 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2=O)c(O)c1 ZINC000173854290 509817071 /nfs/dbraw/zinc/81/70/71/509817071.db2.gz BDXVTTBRSRGWRE-QGZVFWFLSA-N 1 0 372.469 2.508 20 10 FFCDRO COc1cc(N2CC[NH+](CCOC(C)(C)C)CC2)cc(OC)c1OC ZINC000183701419 509934437 /nfs/dbraw/zinc/93/44/37/509934437.db2.gz HOWBRAMWHJCQPZ-UHFFFAOYSA-N 1 0 352.475 2.650 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1O ZINC000187090231 510051398 /nfs/dbraw/zinc/05/13/98/510051398.db2.gz LVUIIBLUDBMZKH-QMMMGPOBSA-N 1 0 369.181 2.792 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000181369137 510378295 /nfs/dbraw/zinc/37/82/95/510378295.db2.gz HNWCWQAFVYTHMU-MRXNPFEDSA-N 1 0 371.456 2.629 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1OC ZINC000182210001 510813655 /nfs/dbraw/zinc/81/36/55/510813655.db2.gz RVCZMPZREHKANS-OAHLLOKOSA-N 1 0 356.422 2.584 20 10 FFCDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)ccc1O ZINC000185344144 510815485 /nfs/dbraw/zinc/81/54/85/510815485.db2.gz TWZLEDKRMWGNAP-KXBFYZLASA-N 1 0 372.440 2.652 20 10 FFCDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1O ZINC000185349422 510817795 /nfs/dbraw/zinc/81/77/95/510817795.db2.gz XZMPUEBMLBNFAZ-QFBILLFUSA-N 1 0 354.450 2.513 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374964 510827767 /nfs/dbraw/zinc/82/77/67/510827767.db2.gz CHWWNOAETPUCNW-RYUDHWBXSA-N 1 0 353.365 2.770 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000172631930 510828678 /nfs/dbraw/zinc/82/86/78/510828678.db2.gz FLVCJRJQPLJHDM-FQEVSTJZSA-N 1 0 354.498 2.833 20 10 FFCDRO Cc1noc(C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)n1 ZINC000277772072 510972176 /nfs/dbraw/zinc/97/21/76/510972176.db2.gz YFPYIUSTSCGUJX-OAHLLOKOSA-N 1 0 353.378 2.886 20 10 FFCDRO COC[C@H](C)OC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000278110939 510981794 /nfs/dbraw/zinc/98/17/94/510981794.db2.gz SJZROFMMRCMNQL-FXAWDEMLSA-N 1 0 350.503 2.521 20 10 FFCDRO COc1c([O-])c(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278265380 510986671 /nfs/dbraw/zinc/98/66/71/510986671.db2.gz QXNWNEZYPMXFCN-UHFFFAOYSA-N 1 0 351.447 2.863 20 10 FFCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)ccc2O)CCCC1 ZINC000285638685 510990473 /nfs/dbraw/zinc/99/04/73/510990473.db2.gz ZEGGEOSCECFPAQ-UHFFFAOYSA-N 1 0 362.289 2.602 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1O ZINC000287238338 511044680 /nfs/dbraw/zinc/04/46/80/511044680.db2.gz YQSVVRGBSMQOKR-WDEREUQCSA-N 1 0 362.289 2.630 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000288549771 511079636 /nfs/dbraw/zinc/07/96/36/511079636.db2.gz XOVUXAGQLIFUCY-UHFFFAOYSA-N 1 0 354.248 2.930 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000289838764 511116243 /nfs/dbraw/zinc/11/62/43/511116243.db2.gz QQCLDOQWPAJGQU-LJQANCHMSA-N 1 0 359.495 2.567 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)ccc1OC ZINC000282909668 511158727 /nfs/dbraw/zinc/15/87/27/511158727.db2.gz UXJQWIHHGDWXHD-PXNSSMCTSA-N 1 0 363.498 2.889 20 10 FFCDRO COc1nccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000295734992 511499599 /nfs/dbraw/zinc/49/95/99/511499599.db2.gz OLWAYDABGLADRI-AWEZNQCLSA-N 1 0 364.396 2.845 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273231623 511520897 /nfs/dbraw/zinc/52/08/97/511520897.db2.gz OPTMEBHQEPQHJC-OAQYLSRUSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280927763 511657154 /nfs/dbraw/zinc/65/71/54/511657154.db2.gz FCSDARSSARGGTC-JBEBIEQOSA-N 1 0 354.491 2.614 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(CCC(N)=O)CC3)cc2)CC1 ZINC000296298617 511689541 /nfs/dbraw/zinc/68/95/41/511689541.db2.gz MLUDPHXFPHCCOP-UHFFFAOYSA-N 1 0 359.514 2.779 20 10 FFCDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000292874056 511752985 /nfs/dbraw/zinc/75/29/85/511752985.db2.gz WSJSGVJWCGYZHA-APWZRJJASA-N 1 0 364.461 2.682 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](OC(=O)N(C)C)C3)cc2)CC1 ZINC000296778763 511893679 /nfs/dbraw/zinc/89/36/79/511893679.db2.gz QCTLFMVVTGKRAF-IBGZPJMESA-N 1 0 361.486 2.574 20 10 FFCDRO CC[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1O ZINC000293618147 512028261 /nfs/dbraw/zinc/02/82/61/512028261.db2.gz FNSQPKQMAPBWLL-CQSZACIVSA-N 1 0 353.264 2.957 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)ccc21 ZINC000293649345 512039530 /nfs/dbraw/zinc/03/95/30/512039530.db2.gz IMVTVOIJYIVKGD-UHFFFAOYSA-N 1 0 350.528 2.762 20 10 FFCDRO COc1ccc(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c(O)c1 ZINC000373695121 512460138 /nfs/dbraw/zinc/46/01/38/512460138.db2.gz LFDNITUOTSAOJN-UHFFFAOYSA-N 1 0 355.438 2.637 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000369650577 512533692 /nfs/dbraw/zinc/53/36/92/512533692.db2.gz VJVQEFCANUKGSR-UHFFFAOYSA-N 1 0 371.485 2.721 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374668835 512946184 /nfs/dbraw/zinc/94/61/84/512946184.db2.gz JYGRDWZHKVLGQD-ROUUACIJSA-N 1 0 361.486 2.567 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000444253377 514170046 /nfs/dbraw/zinc/17/00/46/514170046.db2.gz PGYBLVMWBUKXPK-CALCHBBNSA-N 1 0 367.493 2.798 20 10 FFCDRO CCC[N@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736480476 598523997 /nfs/dbraw/zinc/52/39/97/598523997.db2.gz PWAOAJQZQZWSCU-UHFFFAOYSA-N 1 0 353.426 2.863 20 10 FFCDRO COc1ccc(C[NH2+]CCCSc2nccs2)cc1-c1nn[nH]n1 ZINC000821814162 606172271 /nfs/dbraw/zinc/17/22/71/606172271.db2.gz VEBVCKXRTNPZDT-UHFFFAOYSA-N 1 0 362.484 2.604 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)C[N@H+](C)[C@@H]3CCSC3)cc2)CC1 ZINC000154002445 728793868 /nfs/dbraw/zinc/79/38/68/728793868.db2.gz YJSOITRDWYSKJM-LJQANCHMSA-N 1 0 361.555 2.976 20 10 FFCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154690072 728810118 /nfs/dbraw/zinc/81/01/18/728810118.db2.gz YCQOWDNPXSQDCK-NBGIEHNGSA-N 1 0 358.507 2.733 20 10 FFCDRO O=C(NCCCSc1nccs1)c1cccn1C1CC[NH2+]CC1 ZINC000158525258 728890023 /nfs/dbraw/zinc/89/00/23/728890023.db2.gz VJPOMYGSIYOBQX-UHFFFAOYSA-N 1 0 350.513 2.781 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1C ZINC000898399700 735355960 /nfs/dbraw/zinc/35/59/60/735355960.db2.gz SXOUPVZRGIEBJC-XMMPIXPASA-N 1 0 353.532 2.795 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)CC(C)C ZINC000073596739 728223424 /nfs/dbraw/zinc/22/34/24/728223424.db2.gz WKQKTOWRTKEOKK-MRXNPFEDSA-N 1 0 351.491 2.957 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093770053 728477730 /nfs/dbraw/zinc/47/77/30/728477730.db2.gz IQYNSTKUOYWZFW-LBPRGKRZSA-N 1 0 357.292 2.937 20 10 FFCDRO CC[NH+]1CCN(CCNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000105318727 728504725 /nfs/dbraw/zinc/50/47/25/728504725.db2.gz IQWFQTYFAGHZKF-UHFFFAOYSA-N 1 0 360.527 2.523 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106819831 728512112 /nfs/dbraw/zinc/51/21/12/728512112.db2.gz QEDSYAIKWLAGOH-AWEZNQCLSA-N 1 0 360.527 2.521 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136144371 728739347 /nfs/dbraw/zinc/73/93/47/728739347.db2.gz OOQRQNMCDQLJQI-UHFFFAOYSA-N 1 0 361.511 2.732 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000151452385 728745548 /nfs/dbraw/zinc/74/55/48/728745548.db2.gz SFHUBLFGAWVWGG-LPHOPBHVSA-N 1 0 366.502 2.807 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185029623 729339929 /nfs/dbraw/zinc/33/99/29/729339929.db2.gz KOFPLBIWAKSYHD-AWEZNQCLSA-N 1 0 354.516 2.593 20 10 FFCDRO COc1ccc(N2CCN(CCOCC(F)(F)C(F)F)CC2)cc1F ZINC000189535892 729400193 /nfs/dbraw/zinc/40/01/93/729400193.db2.gz OQLBJUHNVTYAQR-UHFFFAOYSA-N 1 0 368.346 2.873 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000779019449 738429732 /nfs/dbraw/zinc/42/97/32/738429732.db2.gz RVUPKJPMKVLLPV-SMDDNHRTSA-N 1 0 358.276 2.901 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@]12CCCO2 ZINC000759170319 736552686 /nfs/dbraw/zinc/55/26/86/736552686.db2.gz AUHLBVBFLLAZBH-BZUAXINKSA-N 1 0 356.260 2.971 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000302108548 729732206 /nfs/dbraw/zinc/73/22/06/729732206.db2.gz NHVVRTLSFNHUPD-CABCVRRESA-N 1 0 350.459 2.987 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1F ZINC000858107749 730416816 /nfs/dbraw/zinc/41/68/16/730416816.db2.gz XFPOPBXHZOBXRN-AWEZNQCLSA-N 1 0 354.372 2.699 20 10 FFCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858186663 730419146 /nfs/dbraw/zinc/41/91/46/730419146.db2.gz IIISGTOPAVUIBO-ZOWXZIJZSA-N 1 0 358.276 2.810 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)cc(Cl)c1OCC(N)=O ZINC000858238038 730420542 /nfs/dbraw/zinc/42/05/42/730420542.db2.gz SUUHUWBMVRXJNK-UHFFFAOYSA-N 1 0 364.829 2.517 20 10 FFCDRO CN(C)C(=O)CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862309457 730687024 /nfs/dbraw/zinc/68/70/24/730687024.db2.gz QMEQSXPIGSDHLS-UHFFFAOYSA-N 1 0 355.276 2.845 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000862406206 730698069 /nfs/dbraw/zinc/69/80/69/730698069.db2.gz MNKIEMUNHYCUCK-INIZCTEOSA-N 1 0 353.457 2.718 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865777739 730996511 /nfs/dbraw/zinc/99/65/11/730996511.db2.gz BLRSTZAHVIZZTR-GFCCVEGCSA-N 1 0 356.260 2.830 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)cc1 ZINC000868035223 731253430 /nfs/dbraw/zinc/25/34/30/731253430.db2.gz OSDNMKDURZDQJI-WMLDXEAASA-N 1 0 356.495 2.530 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000873100752 731875025 /nfs/dbraw/zinc/87/50/25/731875025.db2.gz DAKNYISOHFIMAT-MJGOQNOKSA-N 1 0 367.511 2.610 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780662127 738566546 /nfs/dbraw/zinc/56/65/46/738566546.db2.gz YHLRCXAIQDMWJN-ATLSCFEFSA-N 1 0 364.873 2.551 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780662131 738566709 /nfs/dbraw/zinc/56/67/09/738566709.db2.gz YHLRCXAIQDMWJN-JOCBIADPSA-N 1 0 364.873 2.551 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000877575538 732391377 /nfs/dbraw/zinc/39/13/77/732391377.db2.gz XJYVKUYFYYLNGW-HNNXBMFYSA-N 1 0 350.459 2.816 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000877697208 732415635 /nfs/dbraw/zinc/41/56/35/732415635.db2.gz IDLWLYSXUSCDME-UHFFFAOYSA-N 1 0 351.447 2.909 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(Br)cc2O)on1 ZINC000877711747 732417394 /nfs/dbraw/zinc/41/73/94/732417394.db2.gz XIKBMKCEAOISLP-UHFFFAOYSA-N 1 0 355.188 2.609 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000879650367 732742709 /nfs/dbraw/zinc/74/27/09/732742709.db2.gz XEOKOSVTKQHGOP-KUHUBIRLSA-N 1 0 350.459 2.805 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000879650366 732742732 /nfs/dbraw/zinc/74/27/32/732742732.db2.gz XEOKOSVTKQHGOP-IFXJQAMLSA-N 1 0 350.459 2.805 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c1O ZINC000927147506 738696855 /nfs/dbraw/zinc/69/68/55/738696855.db2.gz SLKPCRIWQHBWIT-ZYHUDNBSSA-N 1 0 365.275 2.800 20 10 FFCDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccc(Br)cc1O ZINC000883308455 733366148 /nfs/dbraw/zinc/36/61/48/733366148.db2.gz POWSSCQMQJNBTI-JQWIXIFHSA-N 1 0 362.289 2.773 20 10 FFCDRO CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883473319 733390089 /nfs/dbraw/zinc/39/00/89/733390089.db2.gz WCVSQQWKIUGXBA-AEFFLSMTSA-N 1 0 362.543 2.522 20 10 FFCDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3c(O)cccc3Br)O2)CO1 ZINC000886329294 733773950 /nfs/dbraw/zinc/77/39/50/733773950.db2.gz CBAOOPRWDYXLLL-HSMVNMDESA-N 1 0 356.260 2.971 20 10 FFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H]1CCCOC1 ZINC000886360028 733777301 /nfs/dbraw/zinc/77/73/01/733777301.db2.gz NSOJVWZSYUBHLE-SMDDNHRTSA-N 1 0 374.275 2.695 20 10 FFCDRO Cc1sc(-c2ccc(N(C)C)cc2)nc1-c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000887378518 733917117 /nfs/dbraw/zinc/91/71/17/733917117.db2.gz IMQDJBHGBOKWML-HNNXBMFYSA-N 1 0 354.483 2.977 20 10 FFCDRO CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666655 734206094 /nfs/dbraw/zinc/20/60/94/734206094.db2.gz OPLHXDISTYLCHT-KRWDZBQOSA-N 1 0 364.559 2.721 20 10 FFCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1C(F)(F)F ZINC000720875880 734380398 /nfs/dbraw/zinc/38/03/98/734380398.db2.gz DPNFDWQFTDVWQO-ONGXEEELSA-N 1 0 353.182 2.724 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000892486701 734564618 /nfs/dbraw/zinc/56/46/18/734564618.db2.gz ZBFMWYZAZPYMIR-MRXNPFEDSA-N 1 0 350.482 2.765 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC000783722901 738829068 /nfs/dbraw/zinc/82/90/68/738829068.db2.gz LAMYIJSNYLJOGH-UHFFFAOYSA-N 1 0 355.232 2.538 20 10 FFCDRO CC1CCN(c2ccc(CNC(=S)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000730952949 734658778 /nfs/dbraw/zinc/65/87/78/734658778.db2.gz GNTZUJKYACXWAJ-UHFFFAOYSA-N 1 0 360.571 2.981 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c(O)c1OC ZINC000893208523 734668740 /nfs/dbraw/zinc/66/87/40/734668740.db2.gz IRDKGFIKZRKOAD-CQSZACIVSA-N 1 0 353.484 2.944 20 10 FFCDRO CCN(CC)c1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1F ZINC000731320127 734674444 /nfs/dbraw/zinc/67/44/44/734674444.db2.gz UBSYNXINHOMIFH-UHFFFAOYSA-N 1 0 352.523 2.730 20 10 FFCDRO C[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000731872507 734702371 /nfs/dbraw/zinc/70/23/71/734702371.db2.gz NESVEODMCZEGOK-GFCCVEGCSA-N 1 0 363.458 2.836 20 10 FFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)s1 ZINC000894134723 734807171 /nfs/dbraw/zinc/80/71/71/734807171.db2.gz MQVNSQIXHZLHSK-UHFFFAOYSA-N 1 0 371.480 2.554 20 10 FFCDRO CCn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(C)n1 ZINC000894843356 734926186 /nfs/dbraw/zinc/92/61/86/734926186.db2.gz MTJDUQPACYZNKH-UHFFFAOYSA-N 1 0 350.413 2.616 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCn2nc(C(F)(F)F)cc2C)cc1OC ZINC000896272478 735129049 /nfs/dbraw/zinc/12/90/49/735129049.db2.gz JPRVYAJPPCSTIO-UHFFFAOYSA-N 1 0 359.348 2.723 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)cc1OC ZINC000896907352 735187738 /nfs/dbraw/zinc/18/77/38/735187738.db2.gz LDNUZYSSUUBWBF-CYBMUJFWSA-N 1 0 352.431 2.508 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000896921964 735188302 /nfs/dbraw/zinc/18/83/02/735188302.db2.gz VVIMSYDUQMMJKN-AWEZNQCLSA-N 1 0 356.260 2.973 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000897422991 735232617 /nfs/dbraw/zinc/23/26/17/735232617.db2.gz UBBKLSPMGLFUAU-UHFFFAOYSA-N 1 0 352.431 2.556 20 10 FFCDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000897518942 735242219 /nfs/dbraw/zinc/24/22/19/735242219.db2.gz OCBYLOUWVNBZTB-OAHLLOKOSA-N 1 0 351.365 2.983 20 10 FFCDRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(OCC)c2O)CCOCC1 ZINC000897745281 735272301 /nfs/dbraw/zinc/27/23/01/735272301.db2.gz DWRCCHJAEXSVMW-AWEZNQCLSA-N 1 0 351.443 2.629 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900255197 735620643 /nfs/dbraw/zinc/62/06/43/735620643.db2.gz VTQDRDCTSSFVHZ-OALUTQOASA-N 1 0 359.539 2.873 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000748616817 735659528 /nfs/dbraw/zinc/65/95/28/735659528.db2.gz GEGJWLHOSLXHCP-LJQANCHMSA-N 1 0 364.559 2.769 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)CC1CCCC1 ZINC000789348140 739340770 /nfs/dbraw/zinc/34/07/70/739340770.db2.gz LJONLXLBYSNWMY-MRXNPFEDSA-N 1 0 355.862 2.962 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000752101175 735957198 /nfs/dbraw/zinc/95/71/98/735957198.db2.gz HLNJOLNXSAFREZ-KRWDZBQOSA-N 1 0 362.857 2.509 20 10 FFCDRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000903217705 736057509 /nfs/dbraw/zinc/05/75/09/736057509.db2.gz CSCQKWASKITXJJ-CABCVRRESA-N 1 0 365.905 2.696 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903273528 736070728 /nfs/dbraw/zinc/07/07/28/736070728.db2.gz AISUOQZFGNLWMO-CQSZACIVSA-N 1 0 350.413 2.679 20 10 FFCDRO CCOC(=O)c1ccc(NC(=S)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC000905616987 736369617 /nfs/dbraw/zinc/36/96/17/736369617.db2.gz AFDJIWQYGYSQNV-UHFFFAOYSA-N 1 0 358.467 2.811 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000756993633 736381552 /nfs/dbraw/zinc/38/15/52/736381552.db2.gz DVORFSFVFNRGFX-SECBINFHSA-N 1 0 358.154 2.566 20 10 FFCDRO CCC[C@@H](O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982989 736779018 /nfs/dbraw/zinc/77/90/18/736779018.db2.gz OTMMUYZECJPHDD-JKSUJKDBSA-N 1 0 354.878 2.677 20 10 FFCDRO CC[C@@H](C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)[NH+](CC)CC ZINC000764320092 737011398 /nfs/dbraw/zinc/01/13/98/737011398.db2.gz DTFSJGXCYNHDRG-HNNXBMFYSA-N 1 0 370.877 2.668 20 10 FFCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764588861 737033001 /nfs/dbraw/zinc/03/30/01/737033001.db2.gz FKJBYSDYGRVFON-AWEZNQCLSA-N 1 0 353.894 2.599 20 10 FFCDRO CC(C)(C)[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000765175982 737091557 /nfs/dbraw/zinc/09/15/57/737091557.db2.gz HBELRXTVZOYKDB-GDBMZVCRSA-N 1 0 354.878 2.533 20 10 FFCDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977713 737179946 /nfs/dbraw/zinc/17/99/46/737179946.db2.gz IDAAIILCCYZZNF-HOTGVXAUSA-N 1 0 350.528 2.836 20 10 FFCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)ccc1O ZINC000766490659 737234715 /nfs/dbraw/zinc/23/47/15/737234715.db2.gz UUWWKAHPNGVATN-HNNXBMFYSA-N 1 0 354.219 2.987 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@H](S(C)(=O)=O)C3)c2c1 ZINC000766668904 737250271 /nfs/dbraw/zinc/25/02/71/737250271.db2.gz NHSXPIWCEOMXKV-MRXNPFEDSA-N 1 0 363.479 2.953 20 10 FFCDRO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911624 737476396 /nfs/dbraw/zinc/47/63/96/737476396.db2.gz GJTAHJOKYKSBSW-XJKSGUPXSA-N 1 0 362.861 2.584 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000769428849 737529118 /nfs/dbraw/zinc/52/91/18/737529118.db2.gz VEJSENUGNDKWCP-IBGZPJMESA-N 1 0 367.559 2.827 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCSC1 ZINC000771066173 737691416 /nfs/dbraw/zinc/69/14/16/737691416.db2.gz OWKAXOGDWBKHNG-DOMZBBRYSA-N 1 0 354.903 2.879 20 10 FFCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000771627152 737743087 /nfs/dbraw/zinc/74/30/87/737743087.db2.gz BYAYPSFTLQUBAU-AWEZNQCLSA-N 1 0 351.443 2.821 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000772957737 737859195 /nfs/dbraw/zinc/85/91/95/737859195.db2.gz GREBHDDRMSETTQ-AWEZNQCLSA-N 1 0 351.466 2.618 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000772984776 737861382 /nfs/dbraw/zinc/86/13/82/737861382.db2.gz QCSJJDDFPLBKJO-LBPRGKRZSA-N 1 0 350.440 2.623 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921446343 737985539 /nfs/dbraw/zinc/98/55/39/737985539.db2.gz GKRKHJUACUWXSV-QWHCGFSZSA-N 1 0 372.585 2.504 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921670854 738020660 /nfs/dbraw/zinc/02/06/60/738020660.db2.gz LMWQWINTQBGAIF-AWEZNQCLSA-N 1 0 360.479 2.771 20 10 FFCDRO COc1c(O)c(C[N@H+](C)CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774820594 738029688 /nfs/dbraw/zinc/02/96/88/738029688.db2.gz BXWXCHXHJGDOFE-UHFFFAOYSA-N 1 0 350.346 2.959 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000775504461 738097794 /nfs/dbraw/zinc/09/77/94/738097794.db2.gz XYDIXQBAOVKJBT-MRXNPFEDSA-N 1 0 374.934 2.595 20 10 FFCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(Br)ccc1O ZINC000789765393 739386210 /nfs/dbraw/zinc/38/62/10/739386210.db2.gz OSUGTOULHIKPOF-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c(C(F)(F)F)c1 ZINC000792970223 739724846 /nfs/dbraw/zinc/72/48/46/739724846.db2.gz QLXCEMLHGBSWRN-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793184840 739749958 /nfs/dbraw/zinc/74/99/58/739749958.db2.gz LZAIWPBUGJSIPQ-AWEZNQCLSA-N 1 0 359.436 2.924 20 10 FFCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796256869 740122464 /nfs/dbraw/zinc/12/24/64/740122464.db2.gz JEHMRGSTEPIMSJ-LJQANCHMSA-N 1 0 356.491 2.526 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000798504110 740338836 /nfs/dbraw/zinc/33/88/36/740338836.db2.gz VGOOHQOZAKSRNZ-SFHVURJKSA-N 1 0 350.478 2.941 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000798964451 740377679 /nfs/dbraw/zinc/37/76/79/740377679.db2.gz QKZBYCXEBUTMPR-LJQANCHMSA-N 1 0 351.443 2.583 20 10 FFCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000799727471 740445497 /nfs/dbraw/zinc/44/54/97/740445497.db2.gz LFKCXZKKJOQPML-NPMABZOXSA-N 1 0 356.919 2.738 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCC[NH+](C)C)cc2Cl)C1 ZINC000800718530 740544235 /nfs/dbraw/zinc/54/42/35/740544235.db2.gz AMLQCRDFLOLVEG-AWEZNQCLSA-N 1 0 352.910 2.937 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000806427450 741058984 /nfs/dbraw/zinc/05/89/84/741058984.db2.gz HWEZNMCTIZGRMU-UONOGXRCSA-N 1 0 368.275 2.581 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)c1O ZINC000808684694 741251761 /nfs/dbraw/zinc/25/17/61/741251761.db2.gz ORESETQXEDVHIU-ZDUSSCGKSA-N 1 0 368.886 2.983 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1O ZINC000808694574 741252935 /nfs/dbraw/zinc/25/29/35/741252935.db2.gz FJRGQZKFMXWVQO-ZDUSSCGKSA-N 1 0 353.894 2.557 20 10 FFCDRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809708037 741334573 /nfs/dbraw/zinc/33/45/73/741334573.db2.gz WEDWXBHVTMIULQ-JKSUJKDBSA-N 1 0 368.861 2.915 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCCF)cc2F)CC1 ZINC000812926555 741662726 /nfs/dbraw/zinc/66/27/26/741662726.db2.gz KHSQEANZHPGITI-UHFFFAOYSA-N 1 0 354.445 2.517 20 10 FFCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816662597 742051774 /nfs/dbraw/zinc/05/17/74/742051774.db2.gz SHYXWNVMRSJXIG-HXUWFJFHSA-N 1 0 350.478 2.893 20 10 FFCDRO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1cc(Br)ccc1O ZINC000817975011 742226098 /nfs/dbraw/zinc/22/60/98/742226098.db2.gz PTXXMQATVDFFQH-ZBFHGGJFSA-N 1 0 357.292 2.964 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2F)C[C@H](C)O1 ZINC000818965488 742316791 /nfs/dbraw/zinc/31/67/91/742316791.db2.gz AVGKSNAKQNCFOV-SCRDCRAPSA-N 1 0 364.383 2.842 20 10 FFCDRO CCn1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000823855380 742990983 /nfs/dbraw/zinc/99/09/83/742990983.db2.gz QOIOHOFSKGNAGK-INIZCTEOSA-N 1 0 363.893 2.720 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000824542911 743101779 /nfs/dbraw/zinc/10/17/79/743101779.db2.gz DFJRKZFMQZLUNG-NSHDSACASA-N 1 0 367.243 2.676 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](O)C(F)F ZINC000824637241 743120394 /nfs/dbraw/zinc/12/03/94/743120394.db2.gz WYPUCYHRHXZMRA-BXKDBHETSA-N 1 0 354.191 2.658 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000825222827 743231869 /nfs/dbraw/zinc/23/18/69/743231869.db2.gz PPYJIAOIVBBHBX-UHFFFAOYSA-N 1 0 369.870 2.926 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)N1CCCC1 ZINC000825292539 743243432 /nfs/dbraw/zinc/24/34/32/743243432.db2.gz XVXPOZBVTHLGCE-HNNXBMFYSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000825562089 743293649 /nfs/dbraw/zinc/29/36/49/743293649.db2.gz JOCPETLASIJMOE-JTQLQIEISA-N 1 0 350.768 2.854 20 10 FFCDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825744251 743322012 /nfs/dbraw/zinc/32/20/12/743322012.db2.gz JBYOYBGNXUXOIW-CABCVRRESA-N 1 0 350.503 2.585 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1Cl ZINC000825780537 743326995 /nfs/dbraw/zinc/32/69/95/743326995.db2.gz XBRALEVUDIKPME-UHFFFAOYSA-N 1 0 372.918 2.744 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1Cl ZINC000825939977 743345747 /nfs/dbraw/zinc/34/57/47/743345747.db2.gz JNVSVABBKJHYQP-ZDUSSCGKSA-N 1 0 372.918 2.648 20 10 FFCDRO CCOC(=O)CC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CCOCC1 ZINC000827757577 744972390 /nfs/dbraw/zinc/97/23/90/744972390.db2.gz FFRFCQBHSDTVLA-UHFFFAOYSA-N 1 0 357.834 2.646 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncccc2C(F)(F)F)cc1 ZINC000832265894 745668692 /nfs/dbraw/zinc/66/86/92/745668692.db2.gz BBXNATQAUZNSFO-CQSZACIVSA-N 1 0 352.360 2.596 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835035618 745935730 /nfs/dbraw/zinc/93/57/30/745935730.db2.gz LOPOKXLXDJYCSO-WAYWQWQTSA-N 1 0 365.543 2.560 20 10 FFCDRO CCn1ncc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000838924226 746738136 /nfs/dbraw/zinc/73/81/36/746738136.db2.gz BBJLLMZWLGECEQ-UHFFFAOYSA-N 1 0 351.401 2.658 20 10 FFCDRO CC[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839037335 746760085 /nfs/dbraw/zinc/76/00/85/746760085.db2.gz AWVMRKOSSLSDEQ-UHFFFAOYSA-N 1 0 354.292 2.747 20 10 FFCDRO C[N@H+](CCC(N)=O)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839091261 746773056 /nfs/dbraw/zinc/77/30/56/746773056.db2.gz CHVMIWAVHFGAOE-UHFFFAOYSA-N 1 0 354.292 2.747 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1F ZINC000839606704 746869547 /nfs/dbraw/zinc/86/95/47/746869547.db2.gz IHSAHUQDXMCDCE-INIZCTEOSA-N 1 0 365.518 2.725 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000839649686 746881756 /nfs/dbraw/zinc/88/17/56/746881756.db2.gz HDSWBYNRGPNQKD-UKRRQHHQSA-N 1 0 364.511 2.796 20 10 FFCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840757442 747174536 /nfs/dbraw/zinc/17/45/36/747174536.db2.gz KICHUZQLVVBZIY-IRXDYDNUSA-N 1 0 352.425 2.849 20 10 FFCDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761069 747175578 /nfs/dbraw/zinc/17/55/78/747175578.db2.gz PJLODDVPQAGRQI-GFCCVEGCSA-N 1 0 350.413 2.694 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000840933107 747232639 /nfs/dbraw/zinc/23/26/39/747232639.db2.gz XMVZJKYBCGNLSE-UHFFFAOYSA-N 1 0 361.511 2.747 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000840951431 747239901 /nfs/dbraw/zinc/23/99/01/747239901.db2.gz WKYKFPKNKRMATB-UHFFFAOYSA-N 1 0 361.511 2.601 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)CN2CCOCC2)c1O ZINC000840963825 747244438 /nfs/dbraw/zinc/24/44/38/747244438.db2.gz QIDRNZLPSTYAGM-UHFFFAOYSA-N 1 0 357.292 2.664 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841335430 747319121 /nfs/dbraw/zinc/31/91/21/747319121.db2.gz PUVKMTHNBMTZDG-AWEZNQCLSA-N 1 0 364.387 2.751 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1O ZINC000841745745 747447542 /nfs/dbraw/zinc/44/75/42/747447542.db2.gz SNZBLBAUVYDBTM-GUYCJALGSA-N 1 0 356.919 2.904 20 10 FFCDRO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000841895189 747484231 /nfs/dbraw/zinc/48/42/31/747484231.db2.gz WWAAHENBRRNHNT-UHFFFAOYSA-N 1 0 370.877 2.897 20 10 FFCDRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784366 747686554 /nfs/dbraw/zinc/68/65/54/747686554.db2.gz INUCAKSXGXKJLK-MRXNPFEDSA-N 1 0 367.902 2.693 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCc2ncn(C)n2)c1O ZINC000842905546 747717710 /nfs/dbraw/zinc/71/77/10/747717710.db2.gz ZSEDWAAMZVUGSF-LLVKDONJSA-N 1 0 353.264 2.875 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOc2ccccc2Cl)cc1 ZINC000843299896 747807094 /nfs/dbraw/zinc/80/70/94/747807094.db2.gz YWTDJOVTVBLNOR-QGZVFWFLSA-N 1 0 361.873 2.991 20 10 FFCDRO C[C@H](C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000843417441 747832932 /nfs/dbraw/zinc/83/29/32/747832932.db2.gz UHGMOVDHBLOFJQ-NWDGAFQWSA-N 1 0 352.431 2.902 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2F)C[C@H](C)O1 ZINC000844173494 747983545 /nfs/dbraw/zinc/98/35/45/747983545.db2.gz GATQFPVAURYVMM-KBPBESRZSA-N 1 0 351.466 2.573 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000844183508 747984306 /nfs/dbraw/zinc/98/43/06/747984306.db2.gz DTMOAKVTNYLYPY-KRWDZBQOSA-N 1 0 351.441 2.784 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000844903230 748132989 /nfs/dbraw/zinc/13/29/89/748132989.db2.gz VPCOCIKRHYVGAR-SGIREYDYSA-N 1 0 369.849 2.672 20 10 FFCDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845935877 748356707 /nfs/dbraw/zinc/35/67/07/748356707.db2.gz GGTJCLXCTGQAPM-RTBURBONSA-N 1 0 350.528 2.980 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846184357 748425733 /nfs/dbraw/zinc/42/57/33/748425733.db2.gz KZYNATFFIDUKDR-HOCLYGCPSA-N 1 0 369.506 2.501 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000846222144 748433407 /nfs/dbraw/zinc/43/34/07/748433407.db2.gz GPLIQQNDALUQKR-XCRHUMRWSA-N 1 0 366.889 2.967 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000846660505 748521607 /nfs/dbraw/zinc/52/16/07/748521607.db2.gz GRWULKIBIOLYTC-HNNXBMFYSA-N 1 0 354.903 2.879 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848535289 748953672 /nfs/dbraw/zinc/95/36/72/748953672.db2.gz YIKRLODYOPNQSD-ONGXEEELSA-N 1 0 369.259 2.577 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCC2(C)OCCO2)c1O ZINC000848546260 748955997 /nfs/dbraw/zinc/95/59/97/748955997.db2.gz WOQAURKJFVHMFN-JTQLQIEISA-N 1 0 360.248 2.967 20 10 FFCDRO COc1cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850287818 749334755 /nfs/dbraw/zinc/33/47/55/749334755.db2.gz FMHIFUUPZGFGDR-WMLDXEAASA-N 1 0 353.503 2.946 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(c4nccs4)CC3)C2)cc1 ZINC000850346238 749346037 /nfs/dbraw/zinc/34/60/37/749346037.db2.gz CXHSCNUOCCHPSF-INIZCTEOSA-N 1 0 358.511 2.989 20 10 FFCDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCOC1 ZINC000850484259 749371162 /nfs/dbraw/zinc/37/11/62/749371162.db2.gz FXUGHVLAZCZSFL-SPYBWZPUSA-N 1 0 368.905 2.879 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccncc1 ZINC000850507080 749377592 /nfs/dbraw/zinc/37/75/92/749377592.db2.gz MDAHXUWMUAZXQA-IBGZPJMESA-N 1 0 359.495 2.557 20 10 FFCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000850545298 749385698 /nfs/dbraw/zinc/38/56/98/749385698.db2.gz AFWAJJUCWBLGRD-VIFPVBQESA-N 1 0 361.236 2.512 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000852899635 749970935 /nfs/dbraw/zinc/97/09/35/749970935.db2.gz AYWUJDSEEHTKHS-CRAIPNDOSA-N 1 0 359.857 2.744 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001275837818 1013060675 /nfs/dbraw/zinc/06/06/75/1013060675.db2.gz NPFWGPKUNCLMBR-SFHVURJKSA-N 1 0 361.829 2.658 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837746 1013061254 /nfs/dbraw/zinc/06/12/54/1013061254.db2.gz RXWCWICXMFITPY-UGSOOPFHSA-N 1 0 352.862 2.647 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826291625 947847672 /nfs/dbraw/zinc/84/76/72/947847672.db2.gz OEMJUVQBDYCHNP-UHFFFAOYSA-N 1 0 365.437 2.924 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSCc3ccccn3)CC2)cc1 ZINC000871984564 1013126148 /nfs/dbraw/zinc/12/61/48/1013126148.db2.gz XVEULIAYOVTXNS-LJQANCHMSA-N 1 0 373.522 2.507 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275895141 1013153531 /nfs/dbraw/zinc/15/35/31/1013153531.db2.gz FJRMYKQPFHRMCY-MRXNPFEDSA-N 1 0 366.889 2.800 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1OC ZINC000160190010 958843671 /nfs/dbraw/zinc/84/36/71/958843671.db2.gz ZLCAGUBUXOMPPN-AWEZNQCLSA-N 1 0 364.486 2.784 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC000969393898 959452190 /nfs/dbraw/zinc/45/21/90/959452190.db2.gz UYBVJVNUSFPBRI-HLNWXESRSA-N 1 0 358.482 2.509 20 10 FFCDRO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001275951840 1013221292 /nfs/dbraw/zinc/22/12/92/1013221292.db2.gz PCCDOPVYOCZYSQ-CDHQVMDDSA-N 1 0 357.498 2.604 20 10 FFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276036829 1013300679 /nfs/dbraw/zinc/30/06/79/1013300679.db2.gz BCKVUCQWLKEERV-LJQANCHMSA-N 1 0 350.434 2.525 20 10 FFCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000653137996 962172654 /nfs/dbraw/zinc/17/26/54/962172654.db2.gz BPHFPCBCSMXZBU-IRXDYDNUSA-N 1 0 361.461 2.677 20 10 FFCDRO Cc1[nH]c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1C=O ZINC000891246073 962565219 /nfs/dbraw/zinc/56/52/19/962565219.db2.gz LWEMNVCXYIMTHR-GOSISDBHSA-N 1 0 356.470 2.543 20 10 FFCDRO CCn1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C2CC2)n1 ZINC000891247796 962579599 /nfs/dbraw/zinc/57/95/99/962579599.db2.gz VHJRZIQTUZXHOZ-IBGZPJMESA-N 1 0 369.513 2.879 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)COC3)[NH+](C)C)cc1 ZINC000891249841 962586313 /nfs/dbraw/zinc/58/63/13/962586313.db2.gz XDTLTJYQQODUEL-NRFANRHFSA-N 1 0 367.493 2.744 20 10 FFCDRO CC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891257618 962624453 /nfs/dbraw/zinc/62/44/53/962624453.db2.gz JFYXMXSJRYBOBO-FQEVSTJZSA-N 1 0 368.481 2.744 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000873051391 1013364522 /nfs/dbraw/zinc/36/45/22/1013364522.db2.gz AVLSVNKCSVCLJB-IBGZPJMESA-N 1 0 355.413 2.902 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccnn2C)cc1C ZINC001087133132 962974556 /nfs/dbraw/zinc/97/45/56/962974556.db2.gz MIOMNBNKIBYTNJ-QAPCUYQASA-N 1 0 370.497 2.768 20 10 FFCDRO Cc1nc2c(ccn2C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167426976 963030003 /nfs/dbraw/zinc/03/00/03/963030003.db2.gz RPDWOVIERQCMNB-UHFFFAOYSA-N 1 0 350.470 2.641 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)N1CC1CCOCC1 ZINC001276064776 1013393515 /nfs/dbraw/zinc/39/35/15/1013393515.db2.gz WZGNARXAIRWWOD-QZTJIDSGSA-N 1 0 362.445 2.523 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1Cn1cccn1 ZINC000873135949 1013397062 /nfs/dbraw/zinc/39/70/62/1013397062.db2.gz QQNPKSYIXIOWOV-YZGWKJHDSA-N 1 0 373.497 2.596 20 10 FFCDRO CCc1nnc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cn21 ZINC001167434709 963184546 /nfs/dbraw/zinc/18/45/46/963184546.db2.gz TYELCJOJQQYDSQ-UHFFFAOYSA-N 1 0 350.470 2.656 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c4c(ccc3F)OCO4)c2)CC1 ZINC001269786953 964306266 /nfs/dbraw/zinc/30/62/66/964306266.db2.gz KPDBUNNONHITFI-UHFFFAOYSA-N 1 0 371.412 2.949 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccnc1 ZINC000891594670 964536482 /nfs/dbraw/zinc/53/64/82/964536482.db2.gz NVYBACRWDYJISZ-DNVCBOLYSA-N 1 0 355.486 2.811 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)c1O ZINC000894361367 965008813 /nfs/dbraw/zinc/00/88/13/965008813.db2.gz GXBKZGFCIQJSDP-SFHVURJKSA-N 1 0 354.450 2.990 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1O ZINC000894473244 965396068 /nfs/dbraw/zinc/39/60/68/965396068.db2.gz OTERRGBVVBTJIN-QGZVFWFLSA-N 1 0 357.450 2.667 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000894554123 965476267 /nfs/dbraw/zinc/47/62/67/965476267.db2.gz VCBPFAASSVKTAN-GOSISDBHSA-N 1 0 354.450 2.908 20 10 FFCDRO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000933974242 965500501 /nfs/dbraw/zinc/50/05/01/965500501.db2.gz RXZPSFDKNQLKQO-FQEVSTJZSA-N 1 0 372.538 2.937 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@@H](C)[C@H]3C)CC2)cc1 ZINC000178471909 965694509 /nfs/dbraw/zinc/69/45/09/965694509.db2.gz VIBCNLMOKNADQV-QZTJIDSGSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c(O)c1OC ZINC000892185171 966210025 /nfs/dbraw/zinc/21/00/25/966210025.db2.gz IFZMZZJRHDRXSX-QGZVFWFLSA-N 1 0 365.470 2.960 20 10 FFCDRO COc1ccc2c(c1)CCCN(CC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000728575329 967672721 /nfs/dbraw/zinc/67/27/21/967672721.db2.gz WMPSLXYDZWMFAT-UHFFFAOYSA-N 1 0 367.493 2.826 20 10 FFCDRO CCOCc1nc(C)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000895144414 967899243 /nfs/dbraw/zinc/89/92/43/967899243.db2.gz JKHKHJURZJSAGV-UHFFFAOYSA-N 1 0 355.486 2.685 20 10 FFCDRO Cc1ccc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1C ZINC000895298578 969058551 /nfs/dbraw/zinc/05/85/51/969058551.db2.gz VBNRISWFXNBBPP-FQEVSTJZSA-N 1 0 369.513 2.867 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([NH2+]C4CCC4)CC3)ccc21 ZINC000892492031 969137881 /nfs/dbraw/zinc/13/78/81/969137881.db2.gz JTIZPSJAXOEJFH-UHFFFAOYSA-N 1 0 356.514 2.885 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c(O)c1OC ZINC000892506508 969214036 /nfs/dbraw/zinc/21/40/36/969214036.db2.gz FQCFVWSTGKUTCW-GOSISDBHSA-N 1 0 372.465 2.573 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(O)c1OC ZINC000892649043 969698175 /nfs/dbraw/zinc/69/81/75/969698175.db2.gz NGZITGHGAYQVMV-UHFFFAOYSA-N 1 0 370.449 2.822 20 10 FFCDRO CC(C)CN1C[C@H]2C[N@H+](Cc3c(O)ccc4ccncc43)CCN2C1=O ZINC000782884027 969816839 /nfs/dbraw/zinc/81/68/39/969816839.db2.gz MGYXHGDSFKIYCP-MRXNPFEDSA-N 1 0 354.454 2.518 20 10 FFCDRO COc1ccc(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000892873006 970342421 /nfs/dbraw/zinc/34/24/21/970342421.db2.gz GUBMTFZJEJPZCJ-UHFFFAOYSA-N 1 0 366.458 2.899 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn(C)c3C3CC3)cc2F)CC1 ZINC000892905505 970362510 /nfs/dbraw/zinc/36/25/10/970362510.db2.gz MLFCZOFWPHMCAN-UHFFFAOYSA-N 1 0 371.504 2.868 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1O ZINC000895440104 970617480 /nfs/dbraw/zinc/61/74/80/970617480.db2.gz OKKFUPITKWOQJQ-MSOLQXFVSA-N 1 0 369.465 2.714 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1O ZINC000895440109 970617931 /nfs/dbraw/zinc/61/79/31/970617931.db2.gz OKKFUPITKWOQJQ-ZWKOTPCHSA-N 1 0 369.465 2.714 20 10 FFCDRO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895477217 970657916 /nfs/dbraw/zinc/65/79/16/970657916.db2.gz SBEIWOPIDVBYNI-BFUOFWGJSA-N 1 0 361.438 2.938 20 10 FFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC000895495037 970672074 /nfs/dbraw/zinc/67/20/74/970672074.db2.gz AERLGVJSRFFHCF-MRXNPFEDSA-N 1 0 372.421 2.701 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1 ZINC000796551093 1014278303 /nfs/dbraw/zinc/27/83/03/1014278303.db2.gz SKZAHTLZFYXTTG-PKOBYXMFSA-N 1 0 361.486 2.622 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)N(C)C)cc1 ZINC000898448225 976460153 /nfs/dbraw/zinc/46/01/53/976460153.db2.gz QVPBUQOKCKXAKO-UYAOXDASSA-N 1 0 361.530 2.673 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000876728462 1014367239 /nfs/dbraw/zinc/36/72/39/1014367239.db2.gz MPQQRNQVJUWULG-IBGZPJMESA-N 1 0 369.513 2.892 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000893750572 977536639 /nfs/dbraw/zinc/53/66/39/977536639.db2.gz UZYUYQXPBUHWRJ-HKUYNNGSSA-N 1 0 374.529 2.756 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000876876985 1014407360 /nfs/dbraw/zinc/40/73/60/1014407360.db2.gz WXSVDUQTGFTJNV-GOSISDBHSA-N 1 0 352.478 2.989 20 10 FFCDRO CC[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481834914 977693582 /nfs/dbraw/zinc/69/35/82/977693582.db2.gz SQAPFVWMXLGDOM-GGPKGHCWSA-N 1 0 360.498 2.803 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)cc2)CC1 ZINC000876944123 1014427470 /nfs/dbraw/zinc/42/74/70/1014427470.db2.gz ZLFIUXIAJWYWNZ-MRXNPFEDSA-N 1 0 371.447 2.622 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)cc2F)C[C@H](C)O1 ZINC000729285734 978227297 /nfs/dbraw/zinc/22/72/97/978227297.db2.gz LIUCELLYBGWGPW-HOTGVXAUSA-N 1 0 365.493 2.787 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000178867694 978254184 /nfs/dbraw/zinc/25/41/84/978254184.db2.gz WGXQETBTVOTPGM-YWZLYKJASA-N 1 0 371.456 2.819 20 10 FFCDRO Cc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000877361098 1014562056 /nfs/dbraw/zinc/56/20/56/1014562056.db2.gz QCGYFAHCYDRYJX-DZGCQCFKSA-N 1 0 366.387 2.698 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1O ZINC000877525425 1014613373 /nfs/dbraw/zinc/61/33/73/1014613373.db2.gz CQBMKUMTIVWTQB-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877621718 1014649573 /nfs/dbraw/zinc/64/95/73/1014649573.db2.gz VCFCYAKORMDROT-UHFFFAOYSA-N 1 0 368.477 2.653 20 10 FFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000905060352 980379117 /nfs/dbraw/zinc/37/91/17/980379117.db2.gz VCZLWLXQVJBKNU-FPOVZHCZSA-N 1 0 367.493 2.520 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)cc1OC ZINC000905678563 980487636 /nfs/dbraw/zinc/48/76/36/980487636.db2.gz PKNLYURBKKJTJC-UTKZUKDTSA-N 1 0 355.434 2.809 20 10 FFCDRO c1cnc(CCN2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cn1 ZINC000877703461 1014693528 /nfs/dbraw/zinc/69/35/28/1014693528.db2.gz KOPWORRZAPJXBB-UHFFFAOYSA-N 1 0 365.525 2.827 20 10 FFCDRO CCn1cnc2c1ncnc2NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897526018 981507508 /nfs/dbraw/zinc/50/75/08/981507508.db2.gz XAJQRORXHLHXHY-INIZCTEOSA-N 1 0 353.474 2.627 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000911277945 982188101 /nfs/dbraw/zinc/18/81/01/982188101.db2.gz YGJOKXIUXDHCDF-ROUUACIJSA-N 1 0 359.514 2.760 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CCOc3ccccc32)cc1 ZINC000911667094 983863987 /nfs/dbraw/zinc/86/39/87/983863987.db2.gz MSHKPNGCYFEGFE-GHTZIAJQSA-N 1 0 353.466 2.609 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)cc(OC)c1OC ZINC000878430579 1015040879 /nfs/dbraw/zinc/04/08/79/1015040879.db2.gz LVNODHDVWXNYDE-INIZCTEOSA-N 1 0 364.486 2.650 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCCC(C)=O)C[C@H]2C)cc1C ZINC001105824926 984555013 /nfs/dbraw/zinc/55/50/13/984555013.db2.gz IYKOMUIGQYJNGR-VQIMIIECSA-N 1 0 360.498 2.947 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c4c(nn3C)CCC4)cc2F)C[C@@H](C)O1 ZINC000921553903 985306332 /nfs/dbraw/zinc/30/63/32/985306332.db2.gz YJPPWIMMMLGICA-HUUCEWRRSA-N 1 0 372.488 2.951 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765973792 987922641 /nfs/dbraw/zinc/92/26/41/987922641.db2.gz FRLSUVXROBFPBN-GCJKJVERSA-N 1 0 373.541 2.817 20 10 FFCDRO O=C(/C=C/c1cnccn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761978340 988012463 /nfs/dbraw/zinc/01/24/63/988012463.db2.gz CVNJKXFAQFZJRF-YXMMZVCTSA-N 1 0 372.856 2.630 20 10 FFCDRO COCC(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001106431016 988147069 /nfs/dbraw/zinc/14/70/69/988147069.db2.gz MDAFEUPHIWICRO-SJLPKXTDSA-N 1 0 362.514 2.860 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)cc1F ZINC000922408003 988585572 /nfs/dbraw/zinc/58/55/72/988585572.db2.gz YRKORBMEUQCMQP-YJBOKZPZSA-N 1 0 361.465 2.966 20 10 FFCDRO CN1C[C@H](CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000922486105 988632144 /nfs/dbraw/zinc/63/21/44/988632144.db2.gz OFACQHDEXUTMED-MRXNPFEDSA-N 1 0 360.458 2.543 20 10 FFCDRO Cc1cc(C(=O)N2CCN(CCO)C[C@@H]2C)c(C)n1-c1ccccc1C ZINC001299280641 988977788 /nfs/dbraw/zinc/97/77/88/988977788.db2.gz GBQTYXWCOBDMHH-KRWDZBQOSA-N 1 0 355.482 2.541 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000879376662 1015504870 /nfs/dbraw/zinc/50/48/70/1015504870.db2.gz IAQCLHFHHRCQHI-ZDUSSCGKSA-N 1 0 368.437 2.566 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000127732752 1015525000 /nfs/dbraw/zinc/52/50/00/1015525000.db2.gz YDXMELPLZITMSY-WBVHZDCISA-N 1 0 372.513 2.588 20 10 FFCDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000922974451 990772670 /nfs/dbraw/zinc/77/26/70/990772670.db2.gz PJWUKLARGQIEIV-JOCHJYFZSA-N 1 0 362.477 2.806 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000921119918 990979546 /nfs/dbraw/zinc/97/95/46/990979546.db2.gz DSXKTKJGZIDJID-WMZOPIPTSA-N 1 0 363.502 2.813 20 10 FFCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)CN1CCOCC1 ZINC000179645481 991305886 /nfs/dbraw/zinc/30/58/86/991305886.db2.gz BNJKVBNPAULXAP-WIYYLYMNSA-N 1 0 370.493 2.649 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000652557395 1015629980 /nfs/dbraw/zinc/62/99/80/1015629980.db2.gz CHQFGIKKQJCLIQ-JKSUJKDBSA-N 1 0 367.493 2.597 20 10 FFCDRO CC(C)(C)c1cc(C[NH2+]CC(=O)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000181033779 991589849 /nfs/dbraw/zinc/58/98/49/991589849.db2.gz MUNQWVGHCZLYCB-UHFFFAOYSA-N 1 0 362.514 2.936 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001272707968 992507567 /nfs/dbraw/zinc/50/75/67/992507567.db2.gz YRMIFLJWKJXKDX-CALCHBBNSA-N 1 0 358.482 2.753 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1 ZINC001089872586 992907563 /nfs/dbraw/zinc/90/75/63/992907563.db2.gz ZQYYZYOIFJDNCZ-MSOLQXFVSA-N 1 0 358.486 2.551 20 10 FFCDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3cc(C)ccc3O)c2)n1 ZINC000809762548 994606105 /nfs/dbraw/zinc/60/61/05/994606105.db2.gz RNXOEKTWOFNRIX-UHFFFAOYSA-N 1 0 366.421 2.952 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)cc1C ZINC001082468039 994663387 /nfs/dbraw/zinc/66/33/87/994663387.db2.gz PIIHOCHIWJBODW-SJLPKXTDSA-N 1 0 353.466 2.957 20 10 FFCDRO CCCC[C@H](C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000810124812 994706516 /nfs/dbraw/zinc/70/65/16/994706516.db2.gz KNESHGCUKIJHFY-AZUAARDMSA-N 1 0 363.546 2.689 20 10 FFCDRO CCc1c(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)ccn1C ZINC000810361826 994769729 /nfs/dbraw/zinc/76/97/29/994769729.db2.gz NEVXUVMFYMBDKN-UHFFFAOYSA-N 1 0 372.488 2.799 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc3c(c2)CCO3)cc(OC)c1 ZINC000747622829 994868900 /nfs/dbraw/zinc/86/89/00/994868900.db2.gz ZYTVCLUGKXZUGB-QGZVFWFLSA-N 1 0 357.450 2.580 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC3(F)F)C[C@H]2C)cc1C ZINC001082584971 995019319 /nfs/dbraw/zinc/01/93/19/995019319.db2.gz YPNSMYCIHJHCOX-FVQBIDKESA-N 1 0 352.425 2.985 20 10 FFCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)C(F)(F)F ZINC000811786573 995260821 /nfs/dbraw/zinc/26/08/21/995260821.db2.gz RORATTMDQJBIBG-LBPRGKRZSA-N 1 0 367.371 2.831 20 10 FFCDRO COCC1CCC([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000824085058 996792662 /nfs/dbraw/zinc/79/26/62/996792662.db2.gz KLXOTTBZQHXOTR-JLAWEPINSA-N 1 0 359.514 2.683 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccoc3C)cc2F)CC1 ZINC000730120478 996878907 /nfs/dbraw/zinc/87/89/07/996878907.db2.gz NXGJMXQDQKAOHZ-UHFFFAOYSA-N 1 0 374.460 2.868 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000824687139 997054629 /nfs/dbraw/zinc/05/46/29/997054629.db2.gz QDXBFHYOCPOUBQ-QKLQHJQFSA-N 1 0 374.529 2.503 20 10 FFCDRO Cc1noc(-c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cn2)n1 ZINC000824935889 997150232 /nfs/dbraw/zinc/15/02/32/997150232.db2.gz NPDSIJJEUCBXMR-UHFFFAOYSA-N 1 0 364.453 2.804 20 10 FFCDRO COCC[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000844165524 997690166 /nfs/dbraw/zinc/69/01/66/997690166.db2.gz IPYIWPNOWIHDGS-UHFFFAOYSA-N 1 0 371.481 2.530 20 10 FFCDRO Cc1cc([C@@H]([NH3+])CC(=O)N2CCOc3cc(N(C)C)ccc32)cc(Cl)n1 ZINC000844191102 997699679 /nfs/dbraw/zinc/69/96/79/997699679.db2.gz RERAYAXSIPZRPE-HNNXBMFYSA-N 1 0 374.872 2.925 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)NCC3CCCCC3)CC2)cc1 ZINC000731352035 997850434 /nfs/dbraw/zinc/85/04/34/997850434.db2.gz KQEQCTDEWLNNRI-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2cc(OC)ccc2OC)cc1 ZINC000844398906 997858496 /nfs/dbraw/zinc/85/84/96/997858496.db2.gz DNGDVGPCOMLRFN-HXUWFJFHSA-N 1 0 374.481 2.814 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000844939595 998243267 /nfs/dbraw/zinc/24/32/67/998243267.db2.gz OXTLTPZRWJXJQX-JOCHJYFZSA-N 1 0 367.493 2.571 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000845029312 998302843 /nfs/dbraw/zinc/30/28/43/998302843.db2.gz JIHRLUOVQGJNNT-MRXNPFEDSA-N 1 0 364.534 2.749 20 10 FFCDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)CC2=O)c1 ZINC001144508689 998611001 /nfs/dbraw/zinc/61/10/01/998611001.db2.gz VFNCQUZZZQPKPI-OAQYLSRUSA-N 1 0 368.433 2.741 20 10 FFCDRO CC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001144508847 998622519 /nfs/dbraw/zinc/62/25/19/998622519.db2.gz AMMJAAHPCAFUBJ-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CC3(C)C)CC2)cc1 ZINC000732828165 998791494 /nfs/dbraw/zinc/79/14/94/998791494.db2.gz PCLGOTPPJFUCMN-KRWDZBQOSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ncccc2O)cc1C ZINC001085178918 999067472 /nfs/dbraw/zinc/06/74/72/999067472.db2.gz CFANTHREXHHUIK-IAGOWNOFSA-N 1 0 369.465 2.935 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c(C)cnn2C)cc1C ZINC001085301658 999322579 /nfs/dbraw/zinc/32/25/79/999322579.db2.gz DJFVXFDPBJZODD-QZTJIDSGSA-N 1 0 370.497 2.876 20 10 FFCDRO CCOc1cccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1O ZINC000734846317 999348271 /nfs/dbraw/zinc/34/82/71/999348271.db2.gz QUIYOYYDERKQIR-JOCHJYFZSA-N 1 0 370.493 2.908 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000735871010 999502771 /nfs/dbraw/zinc/50/27/71/999502771.db2.gz ALYPDPLKTXVYKT-LQWHRVPQSA-N 1 0 371.525 2.997 20 10 FFCDRO CN(CC1CCCCC1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000738298872 999624879 /nfs/dbraw/zinc/62/48/79/999624879.db2.gz ILDFOZJOGYVCBI-UHFFFAOYSA-N 1 0 373.541 2.994 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000740005416 999657106 /nfs/dbraw/zinc/65/71/06/999657106.db2.gz BSGQZBXGEPRBSD-VQTJNVASSA-N 1 0 370.493 2.764 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000740006325 999657264 /nfs/dbraw/zinc/65/72/64/999657264.db2.gz KFQHOXFIDPKBSU-IRLDBZIGSA-N 1 0 353.510 2.725 20 10 FFCDRO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000740758642 999681470 /nfs/dbraw/zinc/68/14/70/999681470.db2.gz FNQVPAUDDDSMNP-CQSZACIVSA-N 1 0 357.406 2.932 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000742249126 999766519 /nfs/dbraw/zinc/76/65/19/999766519.db2.gz LILMVLBATKYITK-UHFFFAOYSA-N 1 0 359.514 2.901 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001086151504 999783094 /nfs/dbraw/zinc/78/30/94/999783094.db2.gz CKIIAILHWJOHSQ-ZFORQUDYSA-N 1 0 372.509 2.803 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800913 999787663 /nfs/dbraw/zinc/78/76/63/999787663.db2.gz MRJOKUVLZHYJFP-YOEHRIQHSA-N 1 0 367.440 2.857 20 10 FFCDRO CC(C)C[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000744212583 999847771 /nfs/dbraw/zinc/84/77/71/999847771.db2.gz QZOFBPBZHCZKQS-IYBDPMFKSA-N 1 0 365.493 2.643 20 10 FFCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000746423421 999988100 /nfs/dbraw/zinc/98/81/00/999988100.db2.gz UZCQZOTXMZVAEL-FQEVSTJZSA-N 1 0 368.525 2.936 20 10 FFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168986953 1000015816 /nfs/dbraw/zinc/01/58/16/1000015816.db2.gz GOBLRTGQYQFLSC-RYMBOPBQSA-N 1 0 371.437 2.874 20 10 FFCDRO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000103310858 1000062221 /nfs/dbraw/zinc/06/22/21/1000062221.db2.gz AIPUIJOJQINPGT-QGZVFWFLSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000846158156 1000211879 /nfs/dbraw/zinc/21/18/79/1000211879.db2.gz TZYCHCBKLWZCKC-ZIAGYGMSSA-N 1 0 353.422 2.850 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439368 1000249141 /nfs/dbraw/zinc/24/91/41/1000249141.db2.gz GODRJMPGQASVSN-MAUKXSAKSA-N 1 0 360.498 2.634 20 10 FFCDRO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464014 1000261380 /nfs/dbraw/zinc/26/13/80/1000261380.db2.gz YXSDZSVHGOQOOG-IBGZPJMESA-N 1 0 371.433 2.773 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCc1ccccc13)[C@H](O)CO2 ZINC000768463414 1000262813 /nfs/dbraw/zinc/26/28/13/1000262813.db2.gz IKGONUSTRUBALL-LJQANCHMSA-N 1 0 353.418 2.840 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000846448040 1000305338 /nfs/dbraw/zinc/30/53/38/1000305338.db2.gz WXKBWJXBWOPXBQ-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO C[C@@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768687452 1000330595 /nfs/dbraw/zinc/33/05/95/1000330595.db2.gz TYFGJLZCNWLSGZ-APWZRJJASA-N 1 0 356.514 2.674 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000768691482 1000331381 /nfs/dbraw/zinc/33/13/81/1000331381.db2.gz UEQORKLHQJOAQB-ZDUSSCGKSA-N 1 0 354.406 2.565 20 10 FFCDRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663703 1000403874 /nfs/dbraw/zinc/40/38/74/1000403874.db2.gz MEMWXPMTOUSKDG-LJQANCHMSA-N 1 0 350.466 2.901 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[NH+](C)C ZINC000768960710 1000405628 /nfs/dbraw/zinc/40/56/28/1000405628.db2.gz DXVYQMMJFDDLNF-DOXZYTNZSA-N 1 0 365.493 2.642 20 10 FFCDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC000769379711 1000504181 /nfs/dbraw/zinc/50/41/81/1000504181.db2.gz DZCALHQYXPVYME-QFIPXVFZSA-N 1 0 356.558 2.889 20 10 FFCDRO COc1cccc(OCCN2CC[NH+](Cc3c(O)cccc3OC)CC2)c1 ZINC000769513577 1000538432 /nfs/dbraw/zinc/53/84/32/1000538432.db2.gz BVTYBRVYYFDTAC-UHFFFAOYSA-N 1 0 372.465 2.606 20 10 FFCDRO COc1cccc(OCCN2CC[NH+](Cc3cc(C)ccc3O)CC2)c1 ZINC000769515155 1000538850 /nfs/dbraw/zinc/53/88/50/1000538850.db2.gz JYVNKSBEAVGBAQ-UHFFFAOYSA-N 1 0 356.466 2.906 20 10 FFCDRO COCCOCC[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000769531725 1000543792 /nfs/dbraw/zinc/54/37/92/1000543792.db2.gz FPKXVNCHFTXQEK-UHFFFAOYSA-N 1 0 359.422 2.786 20 10 FFCDRO COC(=O)CCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662539 1000571593 /nfs/dbraw/zinc/57/15/93/1000571593.db2.gz DNVVUOQYBJTEHJ-UHFFFAOYSA-N 1 0 372.465 2.904 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCn2ccnc2)C1 ZINC000769664220 1000572391 /nfs/dbraw/zinc/57/23/91/1000572391.db2.gz AZOUTLXMRPUSGO-UHFFFAOYSA-N 1 0 366.465 2.848 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CC3CCC3)C(C)C)CC2)cc1 ZINC000769924211 1000638379 /nfs/dbraw/zinc/63/83/79/1000638379.db2.gz CJNBKTOUVBUIAK-UHFFFAOYSA-N 1 0 359.514 2.854 20 10 FFCDRO CCO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087057335 1001739826 /nfs/dbraw/zinc/73/98/26/1001739826.db2.gz XQONGJCITCBZIA-IEBWSBKVSA-N 1 0 360.498 2.757 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000774485482 1001928016 /nfs/dbraw/zinc/92/80/16/1001928016.db2.gz VFWISWNBUXMKLP-GJZGRUSLSA-N 1 0 360.502 2.950 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)c(OC)c1 ZINC001183418966 1002267517 /nfs/dbraw/zinc/26/75/17/1002267517.db2.gz FVZAGECGGLOTHC-GUYCJALGSA-N 1 0 369.303 2.999 20 10 FFCDRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccccc3O)cc2)C1=O ZINC000790612039 1002447219 /nfs/dbraw/zinc/44/72/19/1002447219.db2.gz ZZJMCTXGFFFKFA-NRFANRHFSA-N 1 0 365.433 2.907 20 10 FFCDRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cccc(O)c1O ZINC000790753296 1002472937 /nfs/dbraw/zinc/47/29/37/1002472937.db2.gz FHAMKTAXFMWQHZ-UHFFFAOYSA-N 1 0 374.412 2.510 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000746979887 1002583213 /nfs/dbraw/zinc/58/32/13/1002583213.db2.gz XBMXLACSKVKIIW-GOSISDBHSA-N 1 0 370.472 2.965 20 10 FFCDRO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000103514368 1003068843 /nfs/dbraw/zinc/06/88/43/1003068843.db2.gz RDTNSBOMDJTVBF-KRWDZBQOSA-N 1 0 374.529 2.567 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC001203647986 1003439424 /nfs/dbraw/zinc/43/94/24/1003439424.db2.gz AYPYTIHAXNKMCJ-RISCZKNCSA-N 1 0 353.260 2.597 20 10 FFCDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC001196198284 1003699874 /nfs/dbraw/zinc/69/98/74/1003699874.db2.gz JDZPHZOPJGDEMP-OAQYLSRUSA-N 1 0 373.541 2.598 20 10 FFCDRO CC[NH+](CC)CCCNC(=S)NCc1cc(Br)ccc1O ZINC001196702815 1003920083 /nfs/dbraw/zinc/92/00/83/1003920083.db2.gz GSSOBTYTECWBEW-UHFFFAOYSA-N 1 0 374.348 2.851 20 10 FFCDRO Cc1c(C(=O)NC2(C[NH3+])COC2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193555721 1004521418 /nfs/dbraw/zinc/52/14/18/1004521418.db2.gz HNSXOMWGGLAYMU-UHFFFAOYSA-N 1 0 361.445 2.910 20 10 FFCDRO COc1ncc(/C=C/C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000775862060 1004651542 /nfs/dbraw/zinc/65/15/42/1004651542.db2.gz DLUPNDOCOKAKKQ-MDZDMXLPSA-N 1 0 352.438 2.627 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000808157103 1004763841 /nfs/dbraw/zinc/76/38/41/1004763841.db2.gz SKXKEZWZMJCNMX-RTBURBONSA-N 1 0 371.456 2.514 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1(C)C ZINC000776160032 1005207680 /nfs/dbraw/zinc/20/76/80/1005207680.db2.gz ZLKYEZUBOYWLQM-BHIYHBOVSA-N 1 0 359.514 2.682 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc[nH]c3=S)cc2F)CC1 ZINC000106829786 1005363387 /nfs/dbraw/zinc/36/33/87/1005363387.db2.gz QFUJTCJIOSMDRE-UHFFFAOYSA-N 1 0 374.485 2.955 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC001137049014 1005405892 /nfs/dbraw/zinc/40/58/92/1005405892.db2.gz VCINRBGDSYPYOX-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000107333704 1005416757 /nfs/dbraw/zinc/41/67/57/1005416757.db2.gz GSCRHADXBZSTHT-KRWDZBQOSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(OC)c4c(c3)OCCO4)C2)cc1 ZINC000850346920 1005808944 /nfs/dbraw/zinc/80/89/44/1005808944.db2.gz ZHIRYSCVUZUBOW-MRXNPFEDSA-N 1 0 370.449 2.844 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000109347494 1005816556 /nfs/dbraw/zinc/81/65/56/1005816556.db2.gz UCSTUNYUANYXII-DYESRHJHSA-N 1 0 365.477 2.979 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(-n4cnnn4)c3)C2)cc1 ZINC000850486199 1005818236 /nfs/dbraw/zinc/81/82/36/1005818236.db2.gz AUVKJJGYXGMWNU-DOTOQJQBSA-N 1 0 364.453 2.600 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000850488873 1005818455 /nfs/dbraw/zinc/81/84/55/1005818455.db2.gz VMVZNIKKROBRBK-GHTZIAJQSA-N 1 0 359.514 2.507 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000850752638 1005836003 /nfs/dbraw/zinc/83/60/03/1005836003.db2.gz RCJJABDMCFBCPD-KRWDZBQOSA-N 1 0 354.454 2.815 20 10 FFCDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850857417 1005846063 /nfs/dbraw/zinc/84/60/63/1005846063.db2.gz VSIIKZNRPKUXNN-UHFFFAOYSA-N 1 0 363.421 2.909 20 10 FFCDRO COC(=O)c1ccc2[nH]c(C[NH2+][C@H](C)c3cc(OC)ccc3O)nc2c1 ZINC000851900153 1005921456 /nfs/dbraw/zinc/92/14/56/1005921456.db2.gz PZLCSSIYJNEHHU-LLVKDONJSA-N 1 0 355.394 2.915 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)C2)cc1 ZINC000852188379 1005949395 /nfs/dbraw/zinc/94/93/95/1005949395.db2.gz JFKYVDCDCCUVPB-MSOLQXFVSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)C2)cc1 ZINC000852188380 1005949398 /nfs/dbraw/zinc/94/93/98/1005949398.db2.gz JFKYVDCDCCUVPB-QZTJIDSGSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000852452935 1006034272 /nfs/dbraw/zinc/03/42/72/1006034272.db2.gz FSAUELXTEUVLGF-ROUUACIJSA-N 1 0 374.529 2.694 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC(C)(C)F)cc2F)CC1 ZINC000852553741 1006079828 /nfs/dbraw/zinc/07/98/28/1006079828.db2.gz VCBPZYLZIHYBDB-UHFFFAOYSA-N 1 0 368.472 2.905 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCC1CC1)CC1CC1)cc2=O ZINC000852718296 1006155761 /nfs/dbraw/zinc/15/57/61/1006155761.db2.gz WTDRPILADJHYKV-UHFFFAOYSA-N 1 0 358.442 2.624 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(N(C)CC)cc3)CC2)nn1 ZINC000852745386 1006166282 /nfs/dbraw/zinc/16/62/82/1006166282.db2.gz SWBLMGDXHHRGLO-UHFFFAOYSA-N 1 0 355.486 2.654 20 10 FFCDRO O=C(c1cccc2c1C[NH2+]C2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000852805356 1006192734 /nfs/dbraw/zinc/19/27/34/1006192734.db2.gz XDWDOHIYSCDZGR-QGZVFWFLSA-N 1 0 352.434 2.817 20 10 FFCDRO C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850954 1006242161 /nfs/dbraw/zinc/24/21/61/1006242161.db2.gz LVDFHHGVCOFBLK-MRXNPFEDSA-N 1 0 370.522 2.630 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc4cnccc4c3)cc2)CC1 ZINC000881854771 1006243818 /nfs/dbraw/zinc/24/38/18/1006243818.db2.gz KDKGEKXJMVEVPO-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO CCOc1cccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1O ZINC000111394216 1006426249 /nfs/dbraw/zinc/42/62/49/1006426249.db2.gz FGRSRDYMOMYDFO-UHFFFAOYSA-N 1 0 368.433 2.957 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000853582990 1006458334 /nfs/dbraw/zinc/45/83/34/1006458334.db2.gz NDCTZHRZRWTAQN-OAHLLOKOSA-N 1 0 363.502 2.886 20 10 FFCDRO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1N(C)C ZINC000815009622 1006489239 /nfs/dbraw/zinc/48/92/39/1006489239.db2.gz HZKWUYHISIHMDM-UHFFFAOYSA-N 1 0 355.442 2.686 20 10 FFCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000815117608 1006514652 /nfs/dbraw/zinc/51/46/52/1006514652.db2.gz RUEZIXIDTPDJHR-INIZCTEOSA-N 1 0 371.456 2.826 20 10 FFCDRO C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(N(C)C)cc1 ZINC000854004984 1006626315 /nfs/dbraw/zinc/62/63/15/1006626315.db2.gz MQFDGWMLOYABIE-LPHOPBHVSA-N 1 0 362.518 2.566 20 10 FFCDRO O=C(NCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)c1ccn[nH]1 ZINC000815615599 1006711501 /nfs/dbraw/zinc/71/15/01/1006711501.db2.gz SKZJTCUWSIVQKD-SFHVURJKSA-N 1 0 364.449 2.809 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H]3c4ccccc4OC[C@@H]3F)cc2)CC1 ZINC000883290754 1006736688 /nfs/dbraw/zinc/73/66/88/1006736688.db2.gz FXFOTZMWNQHTAP-FPOVZHCZSA-N 1 0 355.457 3.000 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C ZINC000854299235 1006764954 /nfs/dbraw/zinc/76/49/54/1006764954.db2.gz GXIAFHIBDBGFCU-LNLFQRSKSA-N 1 0 374.529 2.788 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883370936 1006768069 /nfs/dbraw/zinc/76/80/69/1006768069.db2.gz VLUQUVRVBDMRNY-RBBKRZOGSA-N 1 0 374.573 2.590 20 10 FFCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCc2ccccc21 ZINC000132077733 1006836598 /nfs/dbraw/zinc/83/65/98/1006836598.db2.gz KQFITEIXWFFIJM-NRFANRHFSA-N 1 0 356.441 2.586 20 10 FFCDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000112917745 1007065798 /nfs/dbraw/zinc/06/57/98/1007065798.db2.gz GBZFOWGOAIGIRS-LJQANCHMSA-N 1 0 368.525 2.850 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1ccc(N2CCOCC2)cc1 ZINC000816543152 1007104074 /nfs/dbraw/zinc/10/40/74/1007104074.db2.gz PTNJREBPUBBDHX-OAHLLOKOSA-N 1 0 367.449 2.819 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccc(N2CCOCC2)cc1 ZINC000816543303 1007104643 /nfs/dbraw/zinc/10/46/43/1007104643.db2.gz VXYMGKQGQXUZMU-OAHLLOKOSA-N 1 0 367.449 2.705 20 10 FFCDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775255828 1007110411 /nfs/dbraw/zinc/11/04/11/1007110411.db2.gz RLQPUXBWCGCOFN-IEBWSBKVSA-N 1 0 359.514 2.965 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CC[NH+](C)C)cc3)C2)cc1 ZINC000855223816 1007187777 /nfs/dbraw/zinc/18/77/77/1007187777.db2.gz CAFNANQVIKLMRZ-LJQANCHMSA-N 1 0 367.493 2.808 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)cc1 ZINC000855230983 1007198165 /nfs/dbraw/zinc/19/81/65/1007198165.db2.gz RNDNFDZWNNHWQF-SFHVURJKSA-N 1 0 353.466 2.766 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN2C[C@@H](C(C)C)Cc3cc(OC)ccc32)CC1 ZINC000817299530 1007531238 /nfs/dbraw/zinc/53/12/38/1007531238.db2.gz ZUXLFYSGJJKAJT-SFHVURJKSA-N 1 0 373.541 2.930 20 10 FFCDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc(C(=O)OC)c1 ZINC000775370559 1007544749 /nfs/dbraw/zinc/54/47/49/1007544749.db2.gz HWCYUEVHXHWBAM-GFCCVEGCSA-N 1 0 373.405 2.825 20 10 FFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000817575212 1007654867 /nfs/dbraw/zinc/65/48/67/1007654867.db2.gz GGGUSLRZGMFCHP-SJLPKXTDSA-N 1 0 359.514 2.826 20 10 FFCDRO C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nccn1C ZINC000775425226 1007852805 /nfs/dbraw/zinc/85/28/05/1007852805.db2.gz XSFUWDZBBVXURG-KRWDZBQOSA-N 1 0 353.514 2.803 20 10 FFCDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)C[C@H]2C1 ZINC000818329654 1007903012 /nfs/dbraw/zinc/90/30/12/1007903012.db2.gz BFHIHZUHFLKBQE-AGRFSFNASA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000818655289 1007960762 /nfs/dbraw/zinc/96/07/62/1007960762.db2.gz KDHMGDBSHLWPBW-QFBILLFUSA-N 1 0 362.518 2.536 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C[NH3+])C3CCCCC3)C2)cc1 ZINC000818654680 1007960811 /nfs/dbraw/zinc/96/08/11/1007960811.db2.gz FFBYTFOHUQZCCO-JXFKEZNVSA-N 1 0 374.529 2.728 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nccc4nccnc43)cc2F)CC1 ZINC000856729354 1007962081 /nfs/dbraw/zinc/96/20/81/1007962081.db2.gz JVUUYRVQDZNUGN-UHFFFAOYSA-N 1 0 366.444 2.918 20 10 FFCDRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818996211 1008003659 /nfs/dbraw/zinc/00/36/59/1008003659.db2.gz CUANIIBSBFHGET-HXUWFJFHSA-N 1 0 369.461 2.673 20 10 FFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094561 1008032318 /nfs/dbraw/zinc/03/23/18/1008032318.db2.gz HWSGDBFMDSAAJF-HXUWFJFHSA-N 1 0 354.450 2.903 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COc3cccc(C)c3)C2)cc1 ZINC000819379761 1008128186 /nfs/dbraw/zinc/12/81/86/1008128186.db2.gz KXRFFZOLXSDRKP-QUCCMNQESA-N 1 0 370.493 2.859 20 10 FFCDRO CN(C)c1cc(F)c(CNc2ccc(N3CC[NH+](C)CC3)cn2)cc1F ZINC000858103876 1008302666 /nfs/dbraw/zinc/30/26/66/1008302666.db2.gz YUOIDRQJSKGQJZ-UHFFFAOYSA-N 1 0 361.440 2.790 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000858186873 1008319800 /nfs/dbraw/zinc/31/98/00/1008319800.db2.gz NTVRCHKPLGKPJS-INIZCTEOSA-N 1 0 367.428 2.784 20 10 FFCDRO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000820351975 1008322776 /nfs/dbraw/zinc/32/27/76/1008322776.db2.gz GDBGSZSRBXXQIQ-CABCVRRESA-N 1 0 367.440 2.715 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000821272016 1008428326 /nfs/dbraw/zinc/42/83/26/1008428326.db2.gz ULKMJNDUKUBPSU-LJQANCHMSA-N 1 0 352.482 2.596 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000859366577 1008507679 /nfs/dbraw/zinc/50/76/79/1008507679.db2.gz OHGBLPLVVUIRIN-UHFFFAOYSA-N 1 0 355.482 2.906 20 10 FFCDRO Cc1cc(C)c(CNC(=O)C2CC[NH+](Cc3ccccn3)CC2)c(O)c1 ZINC001177214169 1008519448 /nfs/dbraw/zinc/51/94/48/1008519448.db2.gz GBQGQVORUCQWPB-UHFFFAOYSA-N 1 0 353.466 2.932 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000886228796 1008606969 /nfs/dbraw/zinc/60/69/69/1008606969.db2.gz GDYMPZBWOQSRTM-DLBZAZTESA-N 1 0 363.458 2.605 20 10 FFCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886325026 1008637966 /nfs/dbraw/zinc/63/79/66/1008637966.db2.gz QOTZUXYDVZLMAH-AZUAARDMSA-N 1 0 359.514 2.826 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3F)cc2)CC1 ZINC000886325919 1008639305 /nfs/dbraw/zinc/63/93/05/1008639305.db2.gz VRYTWLGKKSRONS-UHFFFAOYSA-N 1 0 359.420 2.956 20 10 FFCDRO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)O2)[C@H]1C ZINC000886335720 1008640567 /nfs/dbraw/zinc/64/05/67/1008640567.db2.gz GWTOVPLWSNFOKA-KLDKWKSESA-N 1 0 374.525 2.710 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000822508559 1008662048 /nfs/dbraw/zinc/66/20/48/1008662048.db2.gz ZZJIMHINFKQTMG-TZMCWYRMSA-N 1 0 362.426 2.562 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC001177729832 1008716221 /nfs/dbraw/zinc/71/62/21/1008716221.db2.gz YJULFOMJFUNMLM-UHFFFAOYSA-N 1 0 371.506 2.696 20 10 FFCDRO CC[N@H+](CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)C(C)C ZINC000822965828 1008842491 /nfs/dbraw/zinc/84/24/91/1008842491.db2.gz ARLJPAVZOHTMBK-QGZVFWFLSA-N 1 0 362.518 2.551 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCCC3CC[NH+](C)CC3)C2)cc1 ZINC000823252029 1008996439 /nfs/dbraw/zinc/99/64/39/1008996439.db2.gz DYRGZQADASVHCV-GOSISDBHSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CC3CC[NH+](C)CC3)C2)cc1 ZINC000823725480 1009205438 /nfs/dbraw/zinc/20/54/38/1009205438.db2.gz CHUHKYGLIJOFDI-SFHVURJKSA-N 1 0 374.529 2.505 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726999 1009207140 /nfs/dbraw/zinc/20/71/40/1009207140.db2.gz ZIPGQIVSKRMJCI-PKOBYXMFSA-N 1 0 374.529 2.647 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NOC2CC[NH+](C)CC2)ccc1C ZINC000861550264 1009459393 /nfs/dbraw/zinc/45/93/93/1009459393.db2.gz DIZQIDJFTOBHPX-UHFFFAOYSA-N 1 0 369.465 2.971 20 10 FFCDRO CN(CCOCC[NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000861567840 1009467585 /nfs/dbraw/zinc/46/75/85/1009467585.db2.gz QCMYIUNVCFLGKM-UHFFFAOYSA-N 1 0 362.518 2.572 20 10 FFCDRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000773844741 1009614346 /nfs/dbraw/zinc/61/43/46/1009614346.db2.gz GHLLDDLUCUODNU-HNNXBMFYSA-N 1 0 368.481 2.630 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862274726 1009776210 /nfs/dbraw/zinc/77/62/10/1009776210.db2.gz UVQMXCXVHZCGEF-RDTXWAMCSA-N 1 0 362.470 2.736 20 10 FFCDRO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773160964 1010058783 /nfs/dbraw/zinc/05/87/83/1010058783.db2.gz IYGJNPANNVFTSI-BRWVUGGUSA-N 1 0 362.518 2.612 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000864519281 1010491604 /nfs/dbraw/zinc/49/16/04/1010491604.db2.gz KKESVNRYYQPSFX-HXUWFJFHSA-N 1 0 359.514 2.952 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nccc(C)n3)C[C@H]2C)cc1C ZINC001093745502 1010550699 /nfs/dbraw/zinc/55/06/99/1010550699.db2.gz FXIXVFGZRTXOFT-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO Cn1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c2cccnc21 ZINC000865812517 1010867067 /nfs/dbraw/zinc/86/70/67/1010867067.db2.gz TXWSOBIBNGNMDH-UHFFFAOYSA-N 1 0 350.466 2.742 20 10 FFCDRO Cn1cc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2cccnc21 ZINC000865812476 1010867256 /nfs/dbraw/zinc/86/72/56/1010867256.db2.gz RDZCLYDEHDCUCA-UHFFFAOYSA-N 1 0 368.456 2.881 20 10 FFCDRO O=c1[nH]c2c(cc1C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCCC2 ZINC000865878929 1010880522 /nfs/dbraw/zinc/88/05/22/1010880522.db2.gz FBOIFFLOTADMRC-UHFFFAOYSA-N 1 0 353.466 2.792 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)cc1C ZINC001094152008 1010896133 /nfs/dbraw/zinc/89/61/33/1010896133.db2.gz LCJNOMHEPNSSKA-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCc4ncccc43)cc2)C1 ZINC000866238496 1010959336 /nfs/dbraw/zinc/95/93/36/1010959336.db2.gz PEHAWCNFRZIJLK-UWJYYQICSA-N 1 0 364.493 2.951 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(O)c1 ZINC000866522123 1011009559 /nfs/dbraw/zinc/00/95/59/1011009559.db2.gz RJWQVEUGQBJQOY-HNNXBMFYSA-N 1 0 367.449 2.912 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCC3CC3)cc2F)CC1 ZINC000121764899 1011086333 /nfs/dbraw/zinc/08/63/33/1011086333.db2.gz YRFBKEVHIJFMRE-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000777468054 1011312945 /nfs/dbraw/zinc/31/29/45/1011312945.db2.gz UALJOCIMUVGUDJ-UHFFFAOYSA-N 1 0 371.447 2.982 20 10 FFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171501429 1011360155 /nfs/dbraw/zinc/36/01/55/1011360155.db2.gz YMQZLEFCLSIJEB-MEDUHNTESA-N 1 0 353.340 2.696 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)ccc1N(C)C ZINC001139670988 1032573751 /nfs/dbraw/zinc/57/37/51/1032573751.db2.gz KAIXHXZJGXOFRS-HKUYNNGSSA-N 1 0 350.466 2.551 20 10 FFCDRO O=C(CC[C@H]1CCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122781226 1011951436 /nfs/dbraw/zinc/95/14/36/1011951436.db2.gz UZAOLNFGEQREIY-FQEVSTJZSA-N 1 0 371.525 2.652 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)C(=O)N1CCC(F)(F)F ZINC001275231624 1012112036 /nfs/dbraw/zinc/11/20/36/1012112036.db2.gz DKACWMKLXWWQSH-KRWDZBQOSA-N 1 0 370.371 2.686 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC2CCOCC2)C3=O)c1 ZINC001275238843 1012121502 /nfs/dbraw/zinc/12/15/02/1012121502.db2.gz LRAAUQOHGYXIRN-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275238999 1012123912 /nfs/dbraw/zinc/12/39/12/1012123912.db2.gz OKVYGVMHHALAAQ-OAQYLSRUSA-N 1 0 360.498 2.942 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275248608 1012138696 /nfs/dbraw/zinc/13/86/96/1012138696.db2.gz POXGAEFABXZKGQ-ACJLOTCBSA-N 1 0 352.862 2.647 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C(=O)N1CC(F)F ZINC001275253610 1012151978 /nfs/dbraw/zinc/15/19/78/1012151978.db2.gz DFMZCFLHOVQUQO-KRWDZBQOSA-N 1 0 372.799 2.652 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275253986 1012152783 /nfs/dbraw/zinc/15/27/83/1012152783.db2.gz KAEXUQGICXEUHY-GOSISDBHSA-N 1 0 361.829 2.658 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]CC2(C)COC2)NC(=O)OC(C)(C)C)cc1 ZINC000796344644 1012236090 /nfs/dbraw/zinc/23/60/90/1012236090.db2.gz HVYLSOYCXMJRRL-KRWDZBQOSA-N 1 0 363.502 2.945 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4cncs4)C3)C2=O)cc1 ZINC001275382718 1012397204 /nfs/dbraw/zinc/39/72/04/1012397204.db2.gz KFUAJPGKZYSYQQ-HXUWFJFHSA-N 1 0 370.522 2.834 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)cc1 ZINC001275598510 1012676321 /nfs/dbraw/zinc/67/63/21/1012676321.db2.gz QGNSKEMVMSRAAD-KRWDZBQOSA-N 1 0 355.404 2.739 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2=O)cc1 ZINC001275669613 1012807753 /nfs/dbraw/zinc/80/77/53/1012807753.db2.gz LDUIWDQGLFULGM-OAQYLSRUSA-N 1 0 353.466 2.970 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cnoc2)c1O ZINC001275770771 1012986471 /nfs/dbraw/zinc/98/64/71/1012986471.db2.gz GJZVCRHSGXEVSN-QZTJIDSGSA-N 1 0 355.438 2.763 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)cc1 ZINC000828353360 1032678845 /nfs/dbraw/zinc/67/88/45/1032678845.db2.gz MWGACMBDECFEGQ-FQEVSTJZSA-N 1 0 371.456 2.662 20 10 FFCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924729377 1017451570 /nfs/dbraw/zinc/45/15/70/1017451570.db2.gz MTBRDSWPAVGWKC-WAOWUJCRSA-N 1 0 361.530 2.808 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000749115625 1018176483 /nfs/dbraw/zinc/17/64/83/1018176483.db2.gz JJCWFMFBCAOUQW-FXAWDEMLSA-N 1 0 360.546 2.516 20 10 FFCDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926874875 1018276752 /nfs/dbraw/zinc/27/67/52/1018276752.db2.gz XPDCLUHQXZPAMD-RXVVDRJESA-N 1 0 361.530 2.808 20 10 FFCDRO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCC(C(N)=O)CC4)cc3)C2)CO1 ZINC000926872209 1018276765 /nfs/dbraw/zinc/27/67/65/1018276765.db2.gz BAKNIAOPALFUBE-UHFFFAOYSA-N 1 0 371.525 2.826 20 10 FFCDRO CC(C)(C)c1cc(O)c(CN2CCOC[C@]3(C[NH2+]CCO3)C2)cc1Cl ZINC001222192525 1032812385 /nfs/dbraw/zinc/81/23/85/1032812385.db2.gz WTZYVILAOVCBCF-IBGZPJMESA-N 1 0 368.905 2.534 20 10 FFCDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000387853969 1019509365 /nfs/dbraw/zinc/50/93/65/1019509365.db2.gz DHNXFTRTIYQVTG-KRWDZBQOSA-N 1 0 363.502 2.916 20 10 FFCDRO CCOC(=O)[C@H]1CC2(CN1Cc1cc(Cl)c(C)cc1O)CC[NH2+]CC2 ZINC001222226387 1032837837 /nfs/dbraw/zinc/83/78/37/1032837837.db2.gz RPCHJDSHKQFKQU-MRXNPFEDSA-N 1 0 366.889 2.861 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000389030752 1019638455 /nfs/dbraw/zinc/63/84/55/1019638455.db2.gz JPLZSGRWLAFEKP-GXTWGEPZSA-N 1 0 364.442 2.904 20 10 FFCDRO CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001070460052 1019963561 /nfs/dbraw/zinc/96/35/61/1019963561.db2.gz YDCAIJBYMOJIAH-PKOBYXMFSA-N 1 0 370.497 2.621 20 10 FFCDRO CN(C)c1ccc([C@H](CN2C(=O)N(C)C3(CCCC3)C2=O)[NH+](C)C)cc1 ZINC000900186100 1020252026 /nfs/dbraw/zinc/25/20/26/1020252026.db2.gz WXXDMLGFYHUPBE-KRWDZBQOSA-N 1 0 358.486 2.562 20 10 FFCDRO COc1ccccc1N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000902638752 1020359079 /nfs/dbraw/zinc/35/90/79/1020359079.db2.gz PUIHELFKXLYJBR-IBGZPJMESA-N 1 0 370.449 2.539 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cc3n(n2)CCCC3)[NH+](C)C)cc1 ZINC000931399545 1020452362 /nfs/dbraw/zinc/45/23/62/1020452362.db2.gz FFYRSAGKJLYSMB-SFHVURJKSA-N 1 0 370.501 2.710 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000726698803 1020508823 /nfs/dbraw/zinc/50/88/23/1020508823.db2.gz GDTWWWMBJPGDAW-QGZVFWFLSA-N 1 0 374.529 2.694 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000801050189 1020730396 /nfs/dbraw/zinc/73/03/96/1020730396.db2.gz CJPITQOITRXTJN-ZWKOTPCHSA-N 1 0 374.529 2.567 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCOC34CCCC4)cc2)CC1 ZINC000903219522 1020749734 /nfs/dbraw/zinc/74/97/34/1020749734.db2.gz HNKONZMORKAZIA-IBGZPJMESA-N 1 0 357.498 2.580 20 10 FFCDRO CC(C)O[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000903361415 1020804719 /nfs/dbraw/zinc/80/47/19/1020804719.db2.gz SHQYJQFUJRYFEE-JXFKEZNVSA-N 1 0 366.477 2.897 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001217987159 1032935733 /nfs/dbraw/zinc/93/57/33/1032935733.db2.gz MEWRLJBQKHGNIW-YVEFUNNKSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C([C@H]1C[NH2+]Cc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002467 1032940105 /nfs/dbraw/zinc/94/01/05/1032940105.db2.gz AWFRWLRRBGBENO-ICSRJNTNSA-N 1 0 366.461 2.787 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218106880 1032998167 /nfs/dbraw/zinc/99/81/67/1032998167.db2.gz CAKSJIGBRHODBV-SHYJEQFXSA-N 1 0 366.469 2.988 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381425059 1022021134 /nfs/dbraw/zinc/02/11/34/1022021134.db2.gz BIMSQUKLACSMNQ-CVEARBPZSA-N 1 0 363.502 2.915 20 10 FFCDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000155928437 1022306069 /nfs/dbraw/zinc/30/60/69/1022306069.db2.gz DDQXQNIVILZDDC-HNNXBMFYSA-N 1 0 371.456 2.873 20 10 FFCDRO C[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218212774 1033050607 /nfs/dbraw/zinc/05/06/07/1033050607.db2.gz GAGMYSIEBHCVNY-CYBMUJFWSA-N 1 0 371.393 2.873 20 10 FFCDRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158329275 1022496404 /nfs/dbraw/zinc/49/64/04/1022496404.db2.gz CCESHSMYZATIEE-DLBZAZTESA-N 1 0 366.477 2.756 20 10 FFCDRO CC(C)[C@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000829296831 1033086251 /nfs/dbraw/zinc/08/62/51/1033086251.db2.gz OZYAQQFUUBZKAV-AZUAARDMSA-N 1 0 359.514 2.506 20 10 FFCDRO Nc1cc[nH+]cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000188247936 1023045761 /nfs/dbraw/zinc/04/57/61/1023045761.db2.gz LQGFXJAMFLDTOW-LBPRGKRZSA-N 1 0 362.380 2.664 20 10 FFCDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001119935965 1023170464 /nfs/dbraw/zinc/17/04/64/1023170464.db2.gz LHNVHNZWABZSCX-ZBFHGGJFSA-N 1 0 364.486 2.926 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(O)ccc3OC)c2)CC1 ZINC000189175147 1023221941 /nfs/dbraw/zinc/22/19/41/1023221941.db2.gz SQIUMRGUGJBCFS-UHFFFAOYSA-N 1 0 355.438 2.795 20 10 FFCDRO CCN(CCC[NH+](C)C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000189273714 1023241421 /nfs/dbraw/zinc/24/14/21/1023241421.db2.gz JRBNBECEPROFCS-UHFFFAOYSA-N 1 0 362.518 2.647 20 10 FFCDRO Nc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC001120590763 1023374390 /nfs/dbraw/zinc/37/43/90/1023374390.db2.gz QUXUVNFNKWOAGQ-IBGZPJMESA-N 1 0 352.482 2.633 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000753743837 1023374682 /nfs/dbraw/zinc/37/46/82/1023374682.db2.gz KMHZDQJUIJRYPT-OXJNMPFZSA-N 1 0 352.482 2.989 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000754107832 1023426728 /nfs/dbraw/zinc/42/67/28/1023426728.db2.gz VVGSQPNFDIBOES-WIYYLYMNSA-N 1 0 369.509 2.529 20 10 FFCDRO CN(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cc[nH+]cc1 ZINC000779484371 1023933072 /nfs/dbraw/zinc/93/30/72/1023933072.db2.gz BYVDDADFAWCMSC-IBGZPJMESA-N 1 0 369.465 2.821 20 10 FFCDRO [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001137835855 1033173655 /nfs/dbraw/zinc/17/36/55/1033173655.db2.gz QDJZDRZZFRGYDF-OXQOHEQNSA-N 1 0 358.413 2.592 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000079254077 1024228585 /nfs/dbraw/zinc/22/85/85/1024228585.db2.gz SVZUUBNPQMKWFR-SJLPKXTDSA-N 1 0 363.502 2.813 20 10 FFCDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000779604085 1024254989 /nfs/dbraw/zinc/25/49/89/1024254989.db2.gz FWZFNFOHNMHBEM-SFHVURJKSA-N 1 0 360.498 2.934 20 10 FFCDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(O)c1O ZINC000193152955 1024400622 /nfs/dbraw/zinc/40/06/22/1024400622.db2.gz QEWXIYWOQXPKTB-UHFFFAOYSA-N 1 0 370.449 2.545 20 10 FFCDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(O)c3O)CC[N@@H+]2C2CC2)c1 ZINC000193154687 1024404770 /nfs/dbraw/zinc/40/47/70/1024404770.db2.gz JAIVTMGNJASHNL-PKOBYXMFSA-N 1 0 368.433 2.814 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c1O ZINC000758972475 1024406292 /nfs/dbraw/zinc/40/62/92/1024406292.db2.gz ATDUOEINTIWDPN-MRXNPFEDSA-N 1 0 367.449 2.742 20 10 FFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1OC ZINC000759585128 1024674168 /nfs/dbraw/zinc/67/41/68/1024674168.db2.gz XTFZEDAJWICSAQ-RTBURBONSA-N 1 0 361.530 2.894 20 10 FFCDRO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141142142 1025511507 /nfs/dbraw/zinc/51/15/07/1025511507.db2.gz HDYIUGRTOUFXJY-JOCHJYFZSA-N 1 0 373.541 2.838 20 10 FFCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145838 1025523369 /nfs/dbraw/zinc/52/33/69/1025523369.db2.gz IUHVFLPCZGGDDH-INIZCTEOSA-N 1 0 355.438 2.572 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)N1Cc1ccncc1 ZINC001141157269 1025538577 /nfs/dbraw/zinc/53/85/77/1025538577.db2.gz FTZZHCWFOUDKCR-OAQYLSRUSA-N 1 0 367.449 2.650 20 10 FFCDRO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141158759 1025541582 /nfs/dbraw/zinc/54/15/82/1025541582.db2.gz MOLOIRBCPCXDEB-UHFFFAOYSA-N 1 0 356.397 2.866 20 10 FFCDRO COCC[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001141161130 1025544790 /nfs/dbraw/zinc/54/47/90/1025544790.db2.gz AJCBODRVYVNLIA-OAHLLOKOSA-N 1 0 366.458 2.556 20 10 FFCDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000837882051 1026083824 /nfs/dbraw/zinc/08/38/24/1026083824.db2.gz IKYIAOSSCAMNRX-QZTJIDSGSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000838191500 1026251542 /nfs/dbraw/zinc/25/15/42/1026251542.db2.gz BISUDKANDRXBRU-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc3c(n2)CCC3)cc(F)c1N1CCOCC1 ZINC000839145251 1026604107 /nfs/dbraw/zinc/60/41/07/1026604107.db2.gz OVJLBBNUZKEJND-UHFFFAOYSA-N 1 0 359.420 2.975 20 10 FFCDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839495543 1026701714 /nfs/dbraw/zinc/70/17/14/1026701714.db2.gz IRAIYODTCHEYHJ-QGZVFWFLSA-N 1 0 369.509 2.940 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)c1 ZINC000840105867 1026957770 /nfs/dbraw/zinc/95/77/70/1026957770.db2.gz SNXSNWVMYPPTKS-UHFFFAOYSA-N 1 0 373.453 2.920 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(O)cc1C ZINC000840128150 1026971046 /nfs/dbraw/zinc/97/10/46/1026971046.db2.gz RTYJLYIBFZIJNA-JSGCOSHPSA-N 1 0 372.387 2.552 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000840249356 1027019830 /nfs/dbraw/zinc/01/98/30/1027019830.db2.gz PNSPRQMHDITCSB-INIZCTEOSA-N 1 0 358.530 2.918 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000091959297 1027155568 /nfs/dbraw/zinc/15/55/68/1027155568.db2.gz CKIVSRYCIAZZKR-UHFFFAOYSA-N 1 0 355.486 2.654 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccncc1 ZINC000092012300 1027196327 /nfs/dbraw/zinc/19/63/27/1027196327.db2.gz CLHZDGDMGRTIOP-UHFFFAOYSA-N 1 0 350.466 2.544 20 10 FFCDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000840714825 1027227644 /nfs/dbraw/zinc/22/76/44/1027227644.db2.gz MRDRINZEEKPIJC-OAHLLOKOSA-N 1 0 359.445 2.787 20 10 FFCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840761647 1027241998 /nfs/dbraw/zinc/24/19/98/1027241998.db2.gz ZJZSIJKSQVKQPO-KRWDZBQOSA-N 1 0 362.424 2.702 20 10 FFCDRO C[NH2+][C@@H](CO)C(=O)N(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC001160929632 1027927754 /nfs/dbraw/zinc/92/77/54/1027927754.db2.gz ISGLMQPEJWUCNX-QFIPXVFZSA-N 1 0 364.489 2.646 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001163487435 1028941626 /nfs/dbraw/zinc/94/16/26/1028941626.db2.gz OVESJGQRCFVMBH-HXUWFJFHSA-N 1 0 367.497 2.944 20 10 FFCDRO C[C@@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000781372545 1029175251 /nfs/dbraw/zinc/17/52/51/1029175251.db2.gz OCOFUYYBHMLLPZ-SJORKVTESA-N 1 0 372.513 2.534 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4ccoc43)CC2)cc1 ZINC001164328689 1029247575 /nfs/dbraw/zinc/24/75/75/1029247575.db2.gz ZUZQWZCTQFMSFH-UHFFFAOYSA-N 1 0 367.453 2.856 20 10 FFCDRO CCOC(=O)Cc1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656679 1029291848 /nfs/dbraw/zinc/29/18/48/1029291848.db2.gz YCGYVDVCCWTCRD-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO C[C@@H]1CCc2nnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2C1 ZINC001156659282 1029293959 /nfs/dbraw/zinc/29/39/59/1029293959.db2.gz JLOGLSCJKLMADS-MRXNPFEDSA-N 1 0 351.498 2.965 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc1 ZINC001203192342 1029633081 /nfs/dbraw/zinc/63/30/81/1029633081.db2.gz FRLBSTJMDSRIMQ-UHFFFAOYSA-N 1 0 356.466 2.526 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c1O ZINC000694750835 1029838928 /nfs/dbraw/zinc/83/89/28/1029838928.db2.gz BJMSYWZCROUTNA-FQEVSTJZSA-N 1 0 369.509 2.697 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000841034669 1029991974 /nfs/dbraw/zinc/99/19/74/1029991974.db2.gz JMBGUOLIMIAMEF-CQSZACIVSA-N 1 0 355.438 2.605 20 10 FFCDRO Nc1ccc(CC[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000841035436 1029994414 /nfs/dbraw/zinc/99/44/14/1029994414.db2.gz NWJSDTZPSQNTTO-UHFFFAOYSA-N 1 0 353.466 2.602 20 10 FFCDRO CCOc1c(OC)cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841043464 1029998356 /nfs/dbraw/zinc/99/83/56/1029998356.db2.gz ONLJQKDMECBEGP-GOSISDBHSA-N 1 0 373.497 2.958 20 10 FFCDRO Nc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000841301651 1030172281 /nfs/dbraw/zinc/17/22/81/1030172281.db2.gz BZPVVBPFEDLXLS-UHFFFAOYSA-N 1 0 353.470 2.603 20 10 FFCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000697033243 1030188288 /nfs/dbraw/zinc/18/82/88/1030188288.db2.gz IZXHSRXMNXQHJR-UHFFFAOYSA-N 1 0 362.470 2.785 20 10 FFCDRO [NH3+]Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000841322030 1030194712 /nfs/dbraw/zinc/19/47/12/1030194712.db2.gz GSMRWLUQAHKSHW-UHFFFAOYSA-N 1 0 372.444 2.567 20 10 FFCDRO [NH3+]CC[C@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000841334468 1030208269 /nfs/dbraw/zinc/20/82/69/1030208269.db2.gz DOQSVIQJTAFLDY-HNNXBMFYSA-N 1 0 371.359 2.977 20 10 FFCDRO CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCN1CCO ZINC000783715677 1030249723 /nfs/dbraw/zinc/24/97/23/1030249723.db2.gz PWKUGRAVRGLGRW-UHFFFAOYSA-N 1 0 370.493 2.860 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000841664364 1030390882 /nfs/dbraw/zinc/39/08/82/1030390882.db2.gz PQJIWVKYFYFRRR-INIZCTEOSA-N 1 0 372.517 2.572 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)cc1C ZINC000841694531 1030410407 /nfs/dbraw/zinc/41/04/07/1030410407.db2.gz KVRGLTVMDMUVRC-UHFFFAOYSA-N 1 0 364.486 2.861 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841709738 1030422500 /nfs/dbraw/zinc/42/25/00/1030422500.db2.gz LWVVLBVTPVFOEV-RTBURBONSA-N 1 0 356.514 2.818 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000841821184 1030487723 /nfs/dbraw/zinc/48/77/23/1030487723.db2.gz CRRVGZIBALIZRR-FQEVSTJZSA-N 1 0 352.482 2.775 20 10 FFCDRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843703 1030499368 /nfs/dbraw/zinc/49/93/68/1030499368.db2.gz MIZAUQQFOUDLND-UONOGXRCSA-N 1 0 370.444 2.683 20 10 FFCDRO C[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841880465 1030519554 /nfs/dbraw/zinc/51/95/54/1030519554.db2.gz AEGLWRYBZFNKCW-YSSFQJQWSA-N 1 0 374.529 2.742 20 10 FFCDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000842002451 1030576201 /nfs/dbraw/zinc/57/62/01/1030576201.db2.gz KWJXEJPNDAGMOB-MRXNPFEDSA-N 1 0 365.380 2.694 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H](CC(C)C)OC)CC2)cc(OC)c1OC ZINC000842155148 1030628217 /nfs/dbraw/zinc/62/82/17/1030628217.db2.gz CFJACRJAZAELPV-KRWDZBQOSA-N 1 0 366.502 2.896 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000784574370 1030693665 /nfs/dbraw/zinc/69/36/65/1030693665.db2.gz ZGVGAYLQSMJKJR-JKSUJKDBSA-N 1 0 369.456 2.567 20 10 FFCDRO O=C(c1nc2c(s1)CC[N@@H+](Cc1ccccc1O)CC2)N1CCCC1 ZINC001203551771 1030759272 /nfs/dbraw/zinc/75/92/72/1030759272.db2.gz NFZVQPFAIOESPN-UHFFFAOYSA-N 1 0 357.479 2.686 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC001203552151 1030760061 /nfs/dbraw/zinc/76/00/61/1030760061.db2.gz CFJPDZZJOZFFEO-UHFFFAOYSA-N 1 0 351.450 2.916 20 10 FFCDRO O=C1[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]2OCCN1c1ccsc1 ZINC001203552539 1030764487 /nfs/dbraw/zinc/76/44/87/1030764487.db2.gz NKRWRIYIBXEADZ-AEFFLSMTSA-N 1 0 358.463 2.708 20 10 FFCDRO COc1cccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1O ZINC001203589101 1030773040 /nfs/dbraw/zinc/77/30/40/1030773040.db2.gz DQQIVCKIJQBHTD-XKGZKEIXSA-N 1 0 356.422 2.607 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c1O ZINC001203592424 1030774261 /nfs/dbraw/zinc/77/42/61/1030774261.db2.gz FIKPSWWSXGSRKE-LJQANCHMSA-N 1 0 352.434 2.854 20 10 FFCDRO COc1cccc(C[NH+]2CCN(C[C@@H](OC)c3ccccc3)CC2)c1O ZINC001203600235 1030780821 /nfs/dbraw/zinc/78/08/21/1030780821.db2.gz YKKJSPNNGAYWCH-HXUWFJFHSA-N 1 0 356.466 2.906 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c1O ZINC001203609106 1030782764 /nfs/dbraw/zinc/78/27/64/1030782764.db2.gz AIONPLYHUDVONS-OAQYLSRUSA-N 1 0 352.434 2.911 20 10 FFCDRO O=C(NC1CCC1)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]2OCC[C@H]21 ZINC001203655768 1030805024 /nfs/dbraw/zinc/80/50/24/1030805024.db2.gz CMACHMIPJGCTSE-XYJFISCASA-N 1 0 364.873 2.551 20 10 FFCDRO COc1ccc(O)c(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c1 ZINC001203669780 1030817175 /nfs/dbraw/zinc/81/71/75/1030817175.db2.gz DKDGTDRQXDEAGL-ROUUACIJSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)c1 ZINC001203672684 1030818477 /nfs/dbraw/zinc/81/84/77/1030818477.db2.gz AQDVZTOFOMCMRP-FXAWDEMLSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001203673415 1030820826 /nfs/dbraw/zinc/82/08/26/1030820826.db2.gz YCBRRFANTDMXIH-YLJYHZDGSA-N 1 0 372.440 2.877 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001203674843 1030822590 /nfs/dbraw/zinc/82/25/90/1030822590.db2.gz DDVJGGCPELKWKG-PBHICJAKSA-N 1 0 356.422 2.730 20 10 FFCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001203681060 1030825783 /nfs/dbraw/zinc/82/57/83/1030825783.db2.gz NMFBQFLULWEJDL-HXUWFJFHSA-N 1 0 356.466 2.734 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1cc(C)ccc1O)Cc1ccc(OC)c(F)c1 ZINC000842718291 1030921753 /nfs/dbraw/zinc/92/17/53/1030921753.db2.gz LHKQWOYDRMCHAC-INIZCTEOSA-N 1 0 360.429 2.543 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1O ZINC001203877864 1030952613 /nfs/dbraw/zinc/95/26/13/1030952613.db2.gz XVGLWKDXCODVKO-OXJNMPFZSA-N 1 0 356.422 2.695 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001203878409 1030953086 /nfs/dbraw/zinc/95/30/86/1030953086.db2.gz TXZHUEVDOXIQNT-FPOVZHCZSA-N 1 0 370.449 2.943 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)cc1 ZINC001203934059 1030992852 /nfs/dbraw/zinc/99/28/52/1030992852.db2.gz SVEQUBRIAUYTQF-IFMALSPDSA-N 1 0 364.493 2.676 20 10 FFCDRO CCOC(=O)c1cnn2cc(C[N@H+](C)Cc3ccc(N(C)C)cc3)cnc12 ZINC001204146529 1031129409 /nfs/dbraw/zinc/12/94/09/1031129409.db2.gz WBLFUVOBMVMAGK-UHFFFAOYSA-N 1 0 367.453 2.604 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@@H]1C[C@H]1C1CC1 ZINC000797507119 1031137220 /nfs/dbraw/zinc/13/72/20/1031137220.db2.gz QJVHZPKXMYRUAG-LEWJYISDSA-N 1 0 368.525 2.816 20 10 FFCDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204234984 1031180053 /nfs/dbraw/zinc/18/00/53/1031180053.db2.gz BPZAARBMOWHAHB-IFMALSPDSA-N 1 0 367.493 2.633 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c(O)c1 ZINC001204272503 1031198552 /nfs/dbraw/zinc/19/85/52/1031198552.db2.gz BZZHYIBESJWPIF-FPOVZHCZSA-N 1 0 370.449 2.943 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c(O)c1 ZINC001204273701 1031199112 /nfs/dbraw/zinc/19/91/12/1031199112.db2.gz FVXNUHPPSRNCRW-YFVAEKQCSA-N 1 0 370.449 2.689 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)c(O)c1 ZINC001204275136 1031201084 /nfs/dbraw/zinc/20/10/84/1031201084.db2.gz XJDOEKULADPRRT-UHFFFAOYSA-N 1 0 362.433 2.910 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(O)c1 ZINC001204274272 1031202210 /nfs/dbraw/zinc/20/22/10/1031202210.db2.gz LRHIQNMUDXPJEM-QKNQBKEWSA-N 1 0 370.449 2.832 20 10 FFCDRO COc1ccc(NC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)cc1OC ZINC000843349884 1031342200 /nfs/dbraw/zinc/34/22/00/1031342200.db2.gz LRRGRKPKCGGVHA-CQSZACIVSA-N 1 0 369.465 2.942 20 10 FFCDRO CCOCc1ccccc1CNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350656 1031342580 /nfs/dbraw/zinc/34/25/80/1031342580.db2.gz SCOKXHQCXKQLHB-UHFFFAOYSA-N 1 0 367.493 2.751 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1OC ZINC000843423150 1031393604 /nfs/dbraw/zinc/39/36/04/1031393604.db2.gz XGNYGAQVLZVHEU-ZDUSSCGKSA-N 1 0 371.437 2.790 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000843429072 1031398948 /nfs/dbraw/zinc/39/89/48/1031398948.db2.gz RECTUZYIOSIGPX-QGZVFWFLSA-N 1 0 354.450 2.929 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1O ZINC000843429508 1031401406 /nfs/dbraw/zinc/40/14/06/1031401406.db2.gz XPRBUGZPQIDNDF-GOSISDBHSA-N 1 0 354.450 2.929 20 10 FFCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000843475206 1031419785 /nfs/dbraw/zinc/41/97/85/1031419785.db2.gz DXUWUSQYABLZLG-RDJZCZTQSA-N 1 0 359.445 2.875 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(O)c1 ZINC000799715184 1031864660 /nfs/dbraw/zinc/86/46/60/1031864660.db2.gz MSILUWHWYUMZGZ-QAPCUYQASA-N 1 0 353.466 2.945 20 10 FFCDRO [O-]c1c(F)ccc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001139683163 1031925463 /nfs/dbraw/zinc/92/54/63/1031925463.db2.gz AEJCJLMZNPZBHA-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO COC1CCN(c2ccc(CN3CCOC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000829709001 1033297777 /nfs/dbraw/zinc/29/77/77/1033297777.db2.gz VNEFOQNTPPOMAB-SFTDATJTSA-N 1 0 360.498 2.682 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@@H](O)C3)cc2)cc1 ZINC001219203387 1033554628 /nfs/dbraw/zinc/55/46/28/1033554628.db2.gz GZQQTLQQJORBTL-CLJOXJKXSA-N 1 0 365.477 2.832 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCCS3)cc2)CC1 ZINC001224850103 1034033649 /nfs/dbraw/zinc/03/36/49/1034033649.db2.gz GUBDXMJYKGTKFP-GOSISDBHSA-N 1 0 362.543 2.523 20 10 FFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340009 1034170932 /nfs/dbraw/zinc/17/09/32/1034170932.db2.gz PPMPLGHZFHNZOM-OAHLLOKOSA-N 1 0 358.482 2.866 20 10 FFCDRO COC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138495744 1034332387 /nfs/dbraw/zinc/33/23/87/1034332387.db2.gz GOTHHQOBOOERGF-NHCUHLMSSA-N 1 0 360.498 2.541 20 10 FFCDRO FC1(F)COC2(C1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138495961 1034332481 /nfs/dbraw/zinc/33/24/81/1034332481.db2.gz KSIMUZCTKUBGMW-UHFFFAOYSA-N 1 0 352.425 2.913 20 10 FFCDRO c1cc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)ccn1 ZINC001138494735 1034333286 /nfs/dbraw/zinc/33/32/86/1034333286.db2.gz HAGBIANXAVGJGX-UHFFFAOYSA-N 1 0 366.509 2.626 20 10 FFCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138500296 1034342986 /nfs/dbraw/zinc/34/29/86/1034342986.db2.gz WIAAVLOOWVOGCW-LJQANCHMSA-N 1 0 369.465 2.580 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)CC1(C)COC1 ZINC001138676963 1034537398 /nfs/dbraw/zinc/53/73/98/1034537398.db2.gz AFSDKJOIWBBCSG-UHFFFAOYSA-N 1 0 369.303 2.754 20 10 FFCDRO C[C@H](CCOc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267275 1034690621 /nfs/dbraw/zinc/69/06/21/1034690621.db2.gz PFGBOHWZIUGONX-UZLBHIALSA-N 1 0 355.482 2.974 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000832273730 1034694496 /nfs/dbraw/zinc/69/44/96/1034694496.db2.gz PLKNITOXNSQUFG-VQTJNVASSA-N 1 0 353.466 2.573 20 10 FFCDRO COCCCOc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274566 1034695753 /nfs/dbraw/zinc/69/57/53/1034695753.db2.gz VWHFYSJIHOKEEC-FQEVSTJZSA-N 1 0 371.481 2.598 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](NC(=O)N(C)C)C3)cc2)CC1 ZINC000832550056 1034856187 /nfs/dbraw/zinc/85/61/87/1034856187.db2.gz INMQBVQVGLPVDU-SFHVURJKSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1cc(CN2CC(Oc3ccccc3F)C2)cc(C[NH+](C)C)c1O ZINC001139257498 1035031758 /nfs/dbraw/zinc/03/17/58/1035031758.db2.gz CHAXGNCCALYYPD-UHFFFAOYSA-N 1 0 360.429 2.865 20 10 FFCDRO Cc1cc(C[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)ccc1N(C)C ZINC001139670617 1035193070 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374.481 2.680 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC001141028412 1036766631 /nfs/dbraw/zinc/76/66/31/1036766631.db2.gz NKRFEDLMXRZUJN-UHFFFAOYSA-N 1 0 356.466 2.770 20 10 FFCDRO CCNC(=O)CO[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141078133 1036928968 /nfs/dbraw/zinc/92/89/68/1036928968.db2.gz MAXFXQMGZBYFPW-FQEVSTJZSA-N 1 0 371.525 2.503 20 10 FFCDRO Cc1cc(CN2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)c(C)n1-c1ccccc1 ZINC001235178063 1037397941 /nfs/dbraw/zinc/39/79/41/1037397941.db2.gz URLNFZRIVKTMBB-QFIPXVFZSA-N 1 0 366.509 2.538 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1O ZINC001235400178 1037527646 /nfs/dbraw/zinc/52/76/46/1037527646.db2.gz CKKUFYFPLRMPEE-ZBFHGGJFSA-N 1 0 357.267 2.987 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1O ZINC001231547952 1037673260 /nfs/dbraw/zinc/67/32/60/1037673260.db2.gz MSPZSTHNXZEGFU-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231554453 1037676738 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1039422585 /nfs/dbraw/zinc/42/25/85/1039422585.db2.gz MPBPAACETFTPBP-LJQANCHMSA-N 1 0 372.513 2.544 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(CC(=O)C(C)(C)C)C3=O)c1O ZINC001276683618 1039530503 /nfs/dbraw/zinc/53/05/03/1039530503.db2.gz OAMZHWBYYNTIKL-NRFANRHFSA-N 1 0 358.482 2.883 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3cnoc3)CC2)c1O ZINC001276683890 1039541553 /nfs/dbraw/zinc/54/15/53/1039541553.db2.gz RLXLNEPAWLUOEN-KRWDZBQOSA-N 1 0 355.438 2.607 20 10 FFCDRO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001276684159 1039552175 /nfs/dbraw/zinc/55/21/75/1039552175.db2.gz WVGXFYJLPDQGCI-UHFFFAOYSA-N 1 0 360.498 2.942 20 10 FFCDRO Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001258926595 1039591695 /nfs/dbraw/zinc/59/16/95/1039591695.db2.gz TZMANTVSHFZZLF-UHFFFAOYSA-N 1 0 363.458 2.687 20 10 FFCDRO CCCC[C@H](CC)COC[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253023846 1039925696 /nfs/dbraw/zinc/92/56/96/1039925696.db2.gz WXMCUXVOGIOLIC-HOCLYGCPSA-N 1 0 355.475 2.529 20 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IYZNRKBEJBWYCR-SJLPKXTDSA-N 1 0 360.498 2.757 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC001279149253 1042919910 /nfs/dbraw/zinc/91/99/10/1042919910.db2.gz CJVUAPNMRNLHAM-OALUTQOASA-N 1 0 372.538 2.603 20 10 FFCDRO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001279313902 1042996549 /nfs/dbraw/zinc/99/65/49/1042996549.db2.gz PVBWHFCQIWECSR-ZBFHGGJFSA-N 1 0 359.495 2.877 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(CN(C(=O)CCc4ccc[nH]4)C3)C2)c(O)c1 ZINC001279428503 1043103856 /nfs/dbraw/zinc/10/38/56/1043103856.db2.gz XWOUWGVCDMWNJM-UHFFFAOYSA-N 1 0 353.466 2.614 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237382662 1043129202 /nfs/dbraw/zinc/12/92/02/1043129202.db2.gz MQBPPMGRBWEKBX-BXUZGUMPSA-N 1 0 355.276 2.737 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC12C[NH2+]C2 ZINC001237408967 1043146200 /nfs/dbraw/zinc/14/62/00/1043146200.db2.gz FRBJVDWGWQLZJS-ZDUSSCGKSA-N 1 0 373.280 2.674 20 10 FFCDRO CCOC(=O)C1CCN(C2CC[NH+](Cc3c(C)cccc3O)CC2)CC1 ZINC001237485794 1043197837 /nfs/dbraw/zinc/19/78/37/1043197837.db2.gz SUHMAMWEWNHBPH-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001279572241 1043276555 /nfs/dbraw/zinc/27/65/55/1043276555.db2.gz FCZYRFFTNNTLFZ-KBPBESRZSA-N 1 0 353.850 2.518 20 10 FFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237669305 1043301622 /nfs/dbraw/zinc/30/16/22/1043301622.db2.gz LRJNJTHKDIWEIF-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(O)c(OC)c1 ZINC001237669316 1043301908 /nfs/dbraw/zinc/30/19/08/1043301908.db2.gz LUJHZVRAEWNNBN-CVEARBPZSA-N 1 0 354.406 2.577 20 10 FFCDRO COc1cc(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237675647 1043303244 /nfs/dbraw/zinc/30/32/44/1043303244.db2.gz ZVTHUHPAKYTTKA-UHFFFAOYSA-N 1 0 357.450 2.979 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c(OC)c1 ZINC001237681183 1043308025 /nfs/dbraw/zinc/30/80/25/1043308025.db2.gz PVVPCHXDYXCPSA-UHFFFAOYSA-N 1 0 370.449 2.758 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)c1O ZINC001237682568 1043309699 /nfs/dbraw/zinc/30/96/99/1043309699.db2.gz BKDMLDRDFNQKGJ-OIISXLGYSA-N 1 0 366.889 2.573 20 10 FFCDRO C[NH+]1CC2(C1)CC[NH+](Cc1cccc(I)c1[O-])CC2 ZINC001237782027 1043356963 /nfs/dbraw/zinc/35/69/63/1043356963.db2.gz CSDSPRBSOHBOKV-UHFFFAOYSA-N 1 0 372.250 2.524 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc2ccccc2cc1O ZINC001279667122 1043434003 /nfs/dbraw/zinc/43/40/03/1043434003.db2.gz PJMZXMGIBHTNIG-PMACEKPBSA-N 1 0 356.466 2.815 20 10 FFCDRO CC(C)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H](C2)O3)c(O)c1 ZINC001279672566 1043441980 /nfs/dbraw/zinc/44/19/80/1043441980.db2.gz BFLBFCVMLJSAGO-BGYRXZFFSA-N 1 0 355.482 2.929 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000755921549 1043449689 /nfs/dbraw/zinc/44/96/89/1043449689.db2.gz RCQQMKHDNCCCJP-YXMMZVCTSA-N 1 0 373.453 2.949 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1O ZINC001238062843 1043508184 /nfs/dbraw/zinc/50/81/84/1043508184.db2.gz XNAKOHPOUIXUFH-UZLBHIALSA-N 1 0 358.413 2.762 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1O ZINC001238061626 1043508509 /nfs/dbraw/zinc/50/85/09/1043508509.db2.gz PFMXLZPBODACIV-NRFANRHFSA-N 1 0 369.440 2.859 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](OCC(=O)NC(C)(C)C)C2)c1O ZINC001238068787 1043514542 /nfs/dbraw/zinc/51/45/42/1043514542.db2.gz FUNZPWMBTFMVBN-MRXNPFEDSA-N 1 0 352.450 2.735 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)Nc3cn[nH]c3)C2)cc1 ZINC001279742851 1043570749 /nfs/dbraw/zinc/57/07/49/1043570749.db2.gz DPWQPKMQFFUUEG-GOSISDBHSA-N 1 0 353.470 2.717 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)cc1 ZINC001279742874 1043570926 /nfs/dbraw/zinc/57/09/26/1043570926.db2.gz FAIUASVOEKWWQI-IDCJVQTKSA-N 1 0 351.441 2.638 20 10 FFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccc(=O)[nH]2)c(OC)c1 ZINC001279758802 1043596960 /nfs/dbraw/zinc/59/69/60/1043596960.db2.gz LSXRSTTVCYPSDI-IRXDYDNUSA-N 1 0 355.438 2.658 20 10 FFCDRO O=C(Nc1cccc2c1OCO2)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001279968001 1044001962 /nfs/dbraw/zinc/00/19/62/1044001962.db2.gz FAAZANPZBJICMZ-JLTOFOAXSA-N 1 0 352.390 2.582 20 10 FFCDRO O=C(Nc1nnco1)C1=CC2(CC1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279968980 1044003890 /nfs/dbraw/zinc/00/38/90/1044003890.db2.gz SSALPNYVZIUGFU-UHFFFAOYSA-N 1 0 354.410 2.716 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N(C)C3C[NH2+]C3)cc2)cc1 ZINC001239099144 1044024130 /nfs/dbraw/zinc/02/41/30/1044024130.db2.gz LCAYUQFOBPSSMM-QZQOTICOSA-N 1 0 373.482 2.760 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001279982268 1044031136 /nfs/dbraw/zinc/03/11/36/1044031136.db2.gz CGCAEUYOJKGZRO-XJKSGUPXSA-N 1 0 353.260 2.632 20 10 FFCDRO O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2)N1CCCCO1 ZINC001280099212 1044205843 /nfs/dbraw/zinc/20/58/43/1044205843.db2.gz SMQYYVWODGNHRI-XLIONFOSSA-N 1 0 360.454 2.644 20 10 FFCDRO O=C(NC1CCC(F)CC1)[C@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001280292928 1044562002 /nfs/dbraw/zinc/56/20/02/1044562002.db2.gz PIHMRQSVAJPIIL-AVVWSFFYSA-N 1 0 350.409 2.750 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001280349799 1044639782 /nfs/dbraw/zinc/63/97/82/1044639782.db2.gz SVPIDPSSMJMXAZ-GOSISDBHSA-N 1 0 360.498 2.716 20 10 FFCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC001324538244 1046090032 /nfs/dbraw/zinc/09/00/32/1046090032.db2.gz YJIDNZSXSGXCNF-VXGBXAGGSA-N 1 0 358.232 2.595 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C2CC2)cc1C ZINC001323014362 1046307567 /nfs/dbraw/zinc/30/75/67/1046307567.db2.gz IMDDYBYSYNXFTE-KURKYZTESA-N 1 0 368.481 2.515 20 10 FFCDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001325658655 1046597854 /nfs/dbraw/zinc/59/78/54/1046597854.db2.gz IUAQCVOLCUDIAX-QFIPXVFZSA-N 1 0 371.500 2.963 20 10 FFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325712848 1046619844 /nfs/dbraw/zinc/61/98/44/1046619844.db2.gz DTIOOMVKJDRLHT-PXNSSMCTSA-N 1 0 360.521 2.636 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCC1 ZINC000732230354 1047406269 /nfs/dbraw/zinc/40/62/69/1047406269.db2.gz FOXIJMRIUAVFTE-UHFFFAOYSA-N 1 0 360.458 2.734 20 10 FFCDRO CCn1cc(Cl)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001289601974 1047708032 /nfs/dbraw/zinc/70/80/32/1047708032.db2.gz HVRHREYRMXIIDH-MRXNPFEDSA-N 1 0 363.893 2.655 20 10 FFCDRO CC[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[NH2+]C1 ZINC001332125627 1048258082 /nfs/dbraw/zinc/25/80/82/1048258082.db2.gz RRXCOHSBRKFOBC-LJQANCHMSA-N 1 0 367.440 2.763 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@@H]2COC(=O)C2)C1 ZINC001329577771 1048785055 /nfs/dbraw/zinc/78/50/55/1048785055.db2.gz GDDDOJVPPXDJIH-HNNXBMFYSA-N 1 0 370.449 2.514 20 10 FFCDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)cc(OC)c3O)C2)ncn1 ZINC001333705880 1049066306 /nfs/dbraw/zinc/06/63/06/1049066306.db2.gz VYEBAPQXSLBJPM-KRWDZBQOSA-N 1 0 356.470 2.820 20 10 FFCDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001330422462 1049161818 /nfs/dbraw/zinc/16/18/18/1049161818.db2.gz COIVQVDJNZOIJX-OAQYLSRUSA-N 1 0 363.521 2.808 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)[C@H](CO)c3ccccc3)cc2F)CC1 ZINC001330533490 1049194546 /nfs/dbraw/zinc/19/45/46/1049194546.db2.gz OHLAKDLSYCYLTL-OAQYLSRUSA-N 1 0 357.473 2.743 20 10 FFCDRO Cc1cc(N2CCC([NH2+]Cc3c(O)cccc3Br)CC2)n[nH]1 ZINC001331277647 1049545404 /nfs/dbraw/zinc/54/54/04/1049545404.db2.gz PUHFSMANDZZSGF-UHFFFAOYSA-N 1 0 365.275 2.945 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1n1ccnc1 ZINC001341604658 1050230242 /nfs/dbraw/zinc/23/02/42/1050230242.db2.gz LEAJPOYMRCOOFI-UWJYYQICSA-N 1 0 371.504 2.857 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc(CCC[NH3+])cc2)c1 ZINC001340199698 1050608443 /nfs/dbraw/zinc/60/84/43/1050608443.db2.gz LUYXPOSFSBBAKP-CQSZACIVSA-N 1 0 358.438 2.548 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(O)c1C ZINC001303084710 1051273032 /nfs/dbraw/zinc/27/30/32/1051273032.db2.gz JBDIRXSBGIRDQC-UHFFFAOYSA-N 1 0 353.466 2.691 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340945433 1051277120 /nfs/dbraw/zinc/27/71/20/1051277120.db2.gz RQWSZIYRADTHMX-VGSWGCGISA-N 1 0 368.477 2.987 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=CCC[NH2+]CC1 ZINC001343407813 1052211701 /nfs/dbraw/zinc/21/17/01/1052211701.db2.gz MQXIHKIDGXRBGS-UHFFFAOYSA-N 1 0 365.424 2.683 20 10 FFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1OC ZINC001307745612 1052344235 /nfs/dbraw/zinc/34/42/35/1052344235.db2.gz QZQNCRRZFANPFL-CDHQVMDDSA-N 1 0 361.530 2.798 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001308010768 1052383098 /nfs/dbraw/zinc/38/30/98/1052383098.db2.gz YYHREORMNPTKGU-HRCADAONSA-N 1 0 370.449 2.730 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001345426818 1052439910 /nfs/dbraw/zinc/43/99/10/1052439910.db2.gz LRCSYPFUBBQHOH-VGUREELVSA-N 1 0 371.525 2.922 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2c(CNC(=O)OC(C)(C)C)cnn2C)c1 ZINC001308868267 1052510579 /nfs/dbraw/zinc/51/05/79/1052510579.db2.gz DPLZZQZGWYUMBV-UHFFFAOYSA-N 1 0 360.458 2.749 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccc(C)cc3)CCO2)c1 ZINC001308905397 1052515656 /nfs/dbraw/zinc/51/56/56/1052515656.db2.gz CXPRVDGFAYHDTN-FQEVSTJZSA-N 1 0 356.466 2.700 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnc(OC3CCC3)c2)cc1 ZINC001346103204 1052749185 /nfs/dbraw/zinc/74/91/85/1052749185.db2.gz FUJAJNLMBVMYLV-GOSISDBHSA-N 1 0 354.454 2.509 20 10 FFCDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C[N@@H+]2C1 ZINC001543098872 1071380203 /nfs/dbraw/zinc/38/02/03/1071380203.db2.gz NRDIKKQNIXWNJA-YVWKXTFCSA-N 1 0 373.566 2.976 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc(N)cc3)CC2)cc(OC)c1OC ZINC001336117964 1053781491 /nfs/dbraw/zinc/78/14/91/1053781491.db2.gz RXVQLYLCAQVVKO-UHFFFAOYSA-N 1 0 357.454 2.617 20 10 FFCDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)C2)CC1 ZINC001347434138 1053977043 /nfs/dbraw/zinc/97/70/43/1053977043.db2.gz WKVHLVQHOCDQEN-UHFFFAOYSA-N 1 0 366.509 2.556 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@]34C[C@H]3COC43CCC3)cc2F)CC1 ZINC001336873132 1054304961 /nfs/dbraw/zinc/30/49/61/1054304961.db2.gz JXYGXDDXMQFFIT-FXAWDEMLSA-N 1 0 359.489 2.626 20 10 FFCDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001336945670 1054357933 /nfs/dbraw/zinc/35/79/33/1054357933.db2.gz QXNKYOGZXKNWBN-UHFFFAOYSA-N 1 0 365.543 2.627 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000848911107 1055351309 /nfs/dbraw/zinc/35/13/09/1055351309.db2.gz QHGAGYAMWPBPAS-ROUUACIJSA-N 1 0 362.470 2.824 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC001349649303 1055388301 /nfs/dbraw/zinc/38/83/01/1055388301.db2.gz SUQFACAAVXGMDS-HXUWFJFHSA-N 1 0 360.498 2.936 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)NCc2ccc(N)cc2)[NH+]2CCCC2)c1 ZINC001356548775 1055572665 /nfs/dbraw/zinc/57/26/65/1055572665.db2.gz UAWSYJPBXTXETM-HXUWFJFHSA-N 1 0 368.481 2.914 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3C[NH3+])cc2F)C[C@H](C)O1 ZINC001357369097 1055880954 /nfs/dbraw/zinc/88/09/54/1055880954.db2.gz UOERVLAGSAUDPS-GASCZTMLSA-N 1 0 371.456 2.828 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001357726815 1055993650 /nfs/dbraw/zinc/99/36/50/1055993650.db2.gz QFUHGZMJFJBCIQ-LSTHTHJFSA-N 1 0 368.481 2.950 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)CC1 ZINC001353354035 1056328116 /nfs/dbraw/zinc/32/81/16/1056328116.db2.gz MXSWTCRSTZYOIC-UHFFFAOYSA-N 1 0 363.465 2.554 20 10 FFCDRO Cc1cc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001454626976 1059584608 /nfs/dbraw/zinc/58/46/08/1059584608.db2.gz UDIYNZYVUKZANU-QGZVFWFLSA-N 1 0 369.509 2.987 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3OCCC[C@@H]3C2)[NH+](C)C)cc1 ZINC001355379644 1060187288 /nfs/dbraw/zinc/18/72/88/1060187288.db2.gz DJEPIOJJQYMCER-YZGWKJHDSA-N 1 0 374.529 2.566 20 10 FFCDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 ZINC001461088637 1061207182 /nfs/dbraw/zinc/20/71/82/1061207182.db2.gz ZAJHDBKIRFGHKS-NLWGTHIKSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001461492526 1061335490 /nfs/dbraw/zinc/33/54/90/1061335490.db2.gz QSPMNYCEUGQJQJ-AYHJJNSGSA-N 1 0 368.525 2.660 20 10 FFCDRO CCc1ccccc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001462469936 1061636934 /nfs/dbraw/zinc/63/69/34/1061636934.db2.gz WNKSJJCUZFKNMH-UHFFFAOYSA-N 1 0 351.494 2.860 20 10 FFCDRO COc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)ccc1S(C)(=O)=O ZINC001462671009 1061717201 /nfs/dbraw/zinc/71/72/01/1061717201.db2.gz SGCYOXYAMDWHMK-LLVKDONJSA-N 1 0 353.415 2.794 20 10 FFCDRO COCCC1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCC1 ZINC001479533556 1062504500 /nfs/dbraw/zinc/50/45/00/1062504500.db2.gz JAWKJVVRVLGSCF-SFHVURJKSA-N 1 0 362.518 2.614 20 10 FFCDRO Cc1ccn2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)nc2c1 ZINC001439960695 1063240568 /nfs/dbraw/zinc/24/05/68/1063240568.db2.gz NQDARSXHJFHADL-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSc4ccccc43)cc2)CC1 ZINC001533683869 1063373965 /nfs/dbraw/zinc/37/39/65/1063373965.db2.gz LSGXKSOACFMPDS-IBGZPJMESA-N 1 0 367.518 2.944 20 10 FFCDRO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001498675533 1063846383 /nfs/dbraw/zinc/84/63/83/1063846383.db2.gz QGCMZFKDQAOBHJ-INIZCTEOSA-N 1 0 357.502 2.914 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)cc1 ZINC001470067324 1064253170 /nfs/dbraw/zinc/25/31/70/1064253170.db2.gz JTAKCTWHLIOEIP-QFBILLFUSA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC001471036216 1064532435 /nfs/dbraw/zinc/53/24/35/1064532435.db2.gz WVYIEKCBBNVYFA-OAQYLSRUSA-N 1 0 372.513 2.514 20 10 FFCDRO C[C@@H]1CCSCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471543428 1064711463 /nfs/dbraw/zinc/71/14/63/1064711463.db2.gz IHDWQKOTIPRADH-QAPCUYQASA-N 1 0 364.559 2.892 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCOC(C)(C)C)[NH+](C)C)cc1 ZINC001471543764 1064711941 /nfs/dbraw/zinc/71/19/41/1064711941.db2.gz JBNVTVQTLLOUDP-SFHVURJKSA-N 1 0 364.534 2.812 20 10 FFCDRO CCCOc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1C ZINC001473961713 1065427264 /nfs/dbraw/zinc/42/72/64/1065427264.db2.gz MXAPPQPVBBTJEX-UHFFFAOYSA-N 1 0 362.495 2.852 20 10 FFCDRO CN(C)c1cc(F)c(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1F ZINC001474348086 1065499810 /nfs/dbraw/zinc/49/98/10/1065499810.db2.gz CTMSIFSHWQDLHH-UHFFFAOYSA-N 1 0 355.473 2.821 20 10 FFCDRO CCOc1ccc(C[C@@H](C[NH2+]Cc2cc(OC)ccc2O)C(=O)OC)cc1 ZINC001474397132 1065512519 /nfs/dbraw/zinc/51/25/19/1065512519.db2.gz ONMIYPMXQQQNPN-KRWDZBQOSA-N 1 0 373.449 2.921 20 10 FFCDRO C[C@@H]1CN(c2nnc(C3CC3)n2CCCSc2nccs2)C[C@@H]1[NH3+] ZINC001576828931 1078279258 /nfs/dbraw/zinc/27/92/58/1078279258.db2.gz NWECIPDJVQTQIV-YPMHNXCESA-N 1 0 364.544 2.578 20 10 FFCDRO CCc1nnc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578314598 1078462202 /nfs/dbraw/zinc/46/22/02/1078462202.db2.gz BKWLMDXRTANOOT-DOTOQJQBSA-N 1 0 374.508 2.658 20 10 FFCDRO COC(=O)C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC001578803752 1078529753 /nfs/dbraw/zinc/52/97/53/1078529753.db2.gz YQBZAIJRNGQFMD-OAHLLOKOSA-N 1 0 350.418 2.639 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001579590328 1078646743 /nfs/dbraw/zinc/64/67/43/1078646743.db2.gz XYEPSYLUSLIUDK-LAUBAEHRSA-N 1 0 351.450 2.860 20 10 FFCDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC001580216471 1078766803 /nfs/dbraw/zinc/76/68/03/1078766803.db2.gz ZRDWGEWOVJOGSN-WMZOPIPTSA-N 1 0 354.450 2.910 20 10 FFCDRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC001580216469 1078767022 /nfs/dbraw/zinc/76/70/22/1078767022.db2.gz ZRDWGEWOVJOGSN-FUHWJXTLSA-N 1 0 354.450 2.910 20 10 FFCDRO CN(CC[NH+]1CCCC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965815 1074797479 /nfs/dbraw/zinc/79/74/79/1074797479.db2.gz BMAMJFQVYVQOEM-UHFFFAOYSA-N 1 0 364.453 2.956 20 10 FFCDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965964 1074799700 /nfs/dbraw/zinc/79/97/00/1074799700.db2.gz HJNHTRAQSICHIU-AWEZNQCLSA-N 1 0 350.426 2.612 20 10 FFCDRO COc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC001563045680 1075276753 /nfs/dbraw/zinc/27/67/53/1075276753.db2.gz LOYNGLXMMGMKSD-QGZVFWFLSA-N 1 0 357.458 2.581 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001556855305 1075781913 /nfs/dbraw/zinc/78/19/13/1075781913.db2.gz XPGBMHPCAPKXBM-LJQANCHMSA-N 1 0 369.509 2.897 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@H+](C)CC3(C)C)ccc21 ZINC001558504564 1076019450 /nfs/dbraw/zinc/01/94/50/1076019450.db2.gz YZDMKVSYPLFAFR-IBGZPJMESA-N 1 0 357.498 2.975 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c[nH]nc2-c2ccco2)[NH+](C)C)cc1 ZINC001558723575 1076063808 /nfs/dbraw/zinc/06/38/08/1076063808.db2.gz RGRDCTBFEIFBMO-KRWDZBQOSA-N 1 0 367.453 2.768 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CS1 ZINC001564923469 1076670648 /nfs/dbraw/zinc/67/06/48/1076670648.db2.gz QBWBZAPWDJIRJA-FRFSOERESA-N 1 0 350.532 2.549 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2C(C)(C)C2(F)F)[NH+](C)C)cc1 ZINC001565125633 1076687856 /nfs/dbraw/zinc/68/78/56/1076687856.db2.gz UUQANTGADZSSIB-HOTGVXAUSA-N 1 0 368.472 2.946 20 10 FFCDRO CCC(CC)(CCO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001565453293 1076731463 /nfs/dbraw/zinc/73/14/63/1076731463.db2.gz WRXMAHHJZHXKQP-GOSISDBHSA-N 1 0 364.534 2.596 20 10 FFCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001568762029 1077110171 /nfs/dbraw/zinc/11/01/71/1077110171.db2.gz ZHEIIZUQNPCKOX-QUCCMNQESA-N 1 0 360.498 2.757 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(N)c1Cl ZINC001589178996 1080399360 /nfs/dbraw/zinc/39/93/60/1080399360.db2.gz IRPXOAJCPMALMK-UHFFFAOYSA-N 1 0 372.900 2.912 20 10 FFCDRO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054548670 506575728 /nfs/dbraw/zinc/57/57/28/506575728.db2.gz DOPRJXHUKCWOAO-UHFFFAOYSA-N 1 0 350.415 2.610 20 10 FFCDRO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571721 507047885 /nfs/dbraw/zinc/04/78/85/507047885.db2.gz JIEFTGWYFVCWQY-SFHVURJKSA-N 1 0 367.493 2.660 20 10 FFCDRO CCCC[NH+]1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000068449826 507237331 /nfs/dbraw/zinc/23/73/31/507237331.db2.gz WOBRCHVYLWGGKM-RMKNXTFCSA-N 1 0 371.525 2.917 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1O ZINC000073785406 507955777 /nfs/dbraw/zinc/95/57/77/507955777.db2.gz VYDHGJJHTHROJZ-INIZCTEOSA-N 1 0 361.417 2.642 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1O ZINC000092005212 508031802 /nfs/dbraw/zinc/03/18/02/508031802.db2.gz QTIHRQIJIPMUTH-MRXNPFEDSA-N 1 0 355.438 2.955 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[NH2+]1 ZINC000373518726 512374181 /nfs/dbraw/zinc/37/41/81/512374181.db2.gz YVQBCWSADOBOQU-KBPBESRZSA-N 1 0 367.440 2.761 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COCc1ccccc1 ZINC000114562328 508326697 /nfs/dbraw/zinc/32/66/97/508326697.db2.gz RJHLUJVTROUNKT-JOCHJYFZSA-N 1 0 370.493 2.533 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)CC1 ZINC000152586060 508474706 /nfs/dbraw/zinc/47/47/06/508474706.db2.gz DDOCKJRGDRBLFP-UHFFFAOYSA-N 1 0 366.509 2.772 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000122564952 508555369 /nfs/dbraw/zinc/55/53/69/508555369.db2.gz RSBGCCANTADISA-UHFFFAOYSA-N 1 0 363.465 2.544 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1C ZINC000377717838 512417298 /nfs/dbraw/zinc/41/72/98/512417298.db2.gz OFWRDFGCWLSLLQ-UHFFFAOYSA-N 1 0 373.453 2.920 20 10 FFCDRO CCCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000125387622 508975727 /nfs/dbraw/zinc/97/57/27/508975727.db2.gz DNRXPRNBPHKJMH-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1OC ZINC000182659842 509355587 /nfs/dbraw/zinc/35/55/87/509355587.db2.gz JRYSNZGAJJNYOR-UHFFFAOYSA-N 1 0 372.343 2.992 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3cc(F)ccc3O)C2=O)cc1 ZINC000186050430 509499381 /nfs/dbraw/zinc/49/93/81/509499381.db2.gz JMGADFDYKRUPIS-ACJLOTCBSA-N 1 0 358.413 2.992 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1O ZINC000186054465 509500911 /nfs/dbraw/zinc/50/09/11/509500911.db2.gz SLZFGFTWZJLSAE-SCLBCKFNSA-N 1 0 350.422 2.735 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000179565232 509515176 /nfs/dbraw/zinc/51/51/76/509515176.db2.gz KONGUWLHDMHOAR-LJQANCHMSA-N 1 0 366.509 2.821 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1O ZINC000173408200 509579566 /nfs/dbraw/zinc/57/95/66/509579566.db2.gz DTDXTUFLFVHGGI-INIZCTEOSA-N 1 0 361.417 2.642 20 10 FFCDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264592995 509616068 /nfs/dbraw/zinc/61/60/68/509616068.db2.gz AUAHVHVYPKZOFB-RMKNXTFCSA-N 1 0 371.525 2.868 20 10 FFCDRO CC[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1O ZINC000186293945 509627942 /nfs/dbraw/zinc/62/79/42/509627942.db2.gz RPAQFUZCZATZOW-AWEZNQCLSA-N 1 0 358.276 2.985 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000186376756 509677015 /nfs/dbraw/zinc/67/70/15/509677015.db2.gz ZLDFXVBOQUFYNH-OAHLLOKOSA-N 1 0 354.516 2.801 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(Br)cc1O ZINC000186375698 509677311 /nfs/dbraw/zinc/67/73/11/509677311.db2.gz JQEWJWDGSFEZPL-AAEUAGOBSA-N 1 0 372.259 2.727 20 10 FFCDRO COc1cc(O)c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1OC ZINC000186457717 509719683 /nfs/dbraw/zinc/71/96/83/509719683.db2.gz UHAGRQOHESZUSJ-UHFFFAOYSA-N 1 0 358.438 2.724 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000180065247 509733650 /nfs/dbraw/zinc/73/36/50/509733650.db2.gz WGSPGPFDWJPXQH-MRXNPFEDSA-N 1 0 356.422 2.647 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccccc1O ZINC000183449038 509796539 /nfs/dbraw/zinc/79/65/39/509796539.db2.gz MOOHRCPZUPTBJN-KRWDZBQOSA-N 1 0 356.466 2.954 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000193991240 510165740 /nfs/dbraw/zinc/16/57/40/510165740.db2.gz WYBNURQOKKJBKX-NJDAHSKKSA-N 1 0 356.510 2.943 20 10 FFCDRO COc1cccc(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1O ZINC000265717864 510193744 /nfs/dbraw/zinc/19/37/44/510193744.db2.gz NMPWMKQXGAGEMT-UHFFFAOYSA-N 1 0 373.453 2.971 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)CC1 ZINC000187400130 510242725 /nfs/dbraw/zinc/24/27/25/510242725.db2.gz AGTUKGNFUFUEAC-UHFFFAOYSA-N 1 0 369.425 2.571 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1O ZINC000181062292 510264418 /nfs/dbraw/zinc/26/44/18/510264418.db2.gz GFVNZULVRBPDRH-OAHLLOKOSA-N 1 0 357.454 2.721 20 10 FFCDRO Cn1cc([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(F)cc2)cn1 ZINC000187513113 510308450 /nfs/dbraw/zinc/30/84/50/510308450.db2.gz SSMNNGFAISFQNL-IBGZPJMESA-N 1 0 355.369 2.873 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000178500119 510633232 /nfs/dbraw/zinc/63/32/32/510633232.db2.gz OXEOSWYJROPMOT-HNNXBMFYSA-N 1 0 361.511 2.854 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185279222 510785990 /nfs/dbraw/zinc/78/59/90/510785990.db2.gz LTZXNPOXVUWLDC-CYBMUJFWSA-N 1 0 361.417 2.622 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)c1O ZINC000182195394 510809211 /nfs/dbraw/zinc/80/92/11/510809211.db2.gz SFMPVAWPTZPYRZ-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)c1O ZINC000275460645 510901860 /nfs/dbraw/zinc/90/18/60/510901860.db2.gz HCVNALBBARTXEF-BBRMVZONSA-N 1 0 351.834 2.798 20 10 FFCDRO C[NH+](C)C1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000275681997 510909599 /nfs/dbraw/zinc/90/95/99/510909599.db2.gz UOKATJJAKWUBJO-QGZVFWFLSA-N 1 0 361.486 2.567 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000275845989 510918758 /nfs/dbraw/zinc/91/87/58/510918758.db2.gz QWJWDQHPWLNLRL-RHSMWYFYSA-N 1 0 367.471 2.628 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c1O ZINC000275950827 510922435 /nfs/dbraw/zinc/92/24/35/510922435.db2.gz JLKMKXZAYLNJIA-UHFFFAOYSA-N 1 0 350.850 2.844 20 10 FFCDRO COc1c(O)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278225540 510985319 /nfs/dbraw/zinc/98/53/19/510985319.db2.gz MDCKQLLAIWXZHZ-INIZCTEOSA-N 1 0 358.394 2.791 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC000294226978 510997000 /nfs/dbraw/zinc/99/70/00/510997000.db2.gz XKRGPLMDPGIUQO-JSSFPYSZSA-N 1 0 363.477 2.573 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@H]3C[C@H](C)n4ccnc43)cc2F)CC1 ZINC000297603899 511005664 /nfs/dbraw/zinc/00/56/64/511005664.db2.gz IEKXYFUPTREJBO-YJBOKZPZSA-N 1 0 357.477 2.960 20 10 FFCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000278777540 511006698 /nfs/dbraw/zinc/00/66/98/511006698.db2.gz VHKZYRBPBFOLMZ-UTKZUKDTSA-N 1 0 371.477 2.905 20 10 FFCDRO COCCOC1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297608463 511007421 /nfs/dbraw/zinc/00/74/21/511007421.db2.gz VKHBPSIGIPRWSU-UHFFFAOYSA-N 1 0 362.514 2.929 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1O ZINC000278779764 511007469 /nfs/dbraw/zinc/00/74/69/511007469.db2.gz VLRAFRUSKJSASE-CQSZACIVSA-N 1 0 350.850 2.546 20 10 FFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000285734662 511014056 /nfs/dbraw/zinc/01/40/56/511014056.db2.gz JDLLHQAFYHCQIH-PAHIGIFOSA-N 1 0 369.509 2.622 20 10 FFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287401835 511048646 /nfs/dbraw/zinc/04/86/46/511048646.db2.gz KTDDEIDMAGSJFH-PXNSSMCTSA-N 1 0 354.498 2.831 20 10 FFCDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000289575456 511105276 /nfs/dbraw/zinc/10/52/76/511105276.db2.gz JRCPNXTZHGQDGF-CQSZACIVSA-N 1 0 367.751 2.982 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1O ZINC000289577899 511105365 /nfs/dbraw/zinc/10/53/65/511105365.db2.gz JUZPDRWEMJVJJO-ALOPSCKCSA-N 1 0 365.905 2.527 20 10 FFCDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)NC(=O)NC1=O ZINC000289960257 511122063 /nfs/dbraw/zinc/12/20/63/511122063.db2.gz ZBKWTKGZIBPPDR-GHTZIAJQSA-N 1 0 370.497 2.630 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3conc3C3CC3)cc2F)CC1 ZINC000290216045 511130537 /nfs/dbraw/zinc/13/05/37/511130537.db2.gz JGWOPFGAHCDRRO-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000364927380 511158340 /nfs/dbraw/zinc/15/83/40/511158340.db2.gz YIXVNBVIPXAAHM-UHFFFAOYSA-N 1 0 374.506 2.857 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNCc3ncc(C)s3)CC2)cc1 ZINC000294743053 511163189 /nfs/dbraw/zinc/16/31/89/511163189.db2.gz JZBCOVGWIUMORI-UHFFFAOYSA-N 1 0 360.527 2.762 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[S@](=O)[C@H](C)[C@@H]3C)cc2)CC1 ZINC000294869683 511204298 /nfs/dbraw/zinc/20/42/98/511204298.db2.gz DQYRRGQWRDBQQC-DXMSMQRWSA-N 1 0 350.528 2.643 20 10 FFCDRO CN(Cc1cccs1)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000294965241 511236823 /nfs/dbraw/zinc/23/68/23/511236823.db2.gz WLHMJTLSKUUIHY-KRWDZBQOSA-N 1 0 356.495 2.594 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(C)cc1O ZINC000280110996 511338696 /nfs/dbraw/zinc/33/86/96/511338696.db2.gz NQAUKNXPYOJRGC-LJQANCHMSA-N 1 0 369.513 2.744 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)cc2)CC1 ZINC000295274695 511344714 /nfs/dbraw/zinc/34/47/14/511344714.db2.gz ZOSASZHWICMBIQ-INIZCTEOSA-N 1 0 354.441 2.751 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](CCOCCO)C(C)C)cc2)CC1 ZINC000295279480 511347150 /nfs/dbraw/zinc/34/71/50/511347150.db2.gz IKYAEZGHFAGOBN-UHFFFAOYSA-N 1 0 350.503 2.521 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1SC ZINC000298608654 511347220 /nfs/dbraw/zinc/34/72/20/511347220.db2.gz ZTRDSKVZKOUMAA-NXHRZFHOSA-N 1 0 354.491 2.661 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1C ZINC000272037535 511408628 /nfs/dbraw/zinc/40/86/28/511408628.db2.gz VMUQUEZZQMOXIF-UHFFFAOYSA-N 1 0 354.516 2.543 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272079306 511425083 /nfs/dbraw/zinc/42/50/83/511425083.db2.gz KOKMJCYMLPXBHO-NVXWUHKLSA-N 1 0 370.419 2.977 20 10 FFCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272651943 511502662 /nfs/dbraw/zinc/50/26/62/511502662.db2.gz NCWDXWVLYCLXSK-LNENJAERSA-N 1 0 352.434 2.844 20 10 FFCDRO COCC1(C[NH2+]Cc2cc(Br)cc(C)c2O)CCOCC1 ZINC000292730277 511701243 /nfs/dbraw/zinc/70/12/43/511701243.db2.gz GDZUMXGTCALQPM-UHFFFAOYSA-N 1 0 358.276 2.996 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(O)c1C ZINC000363870465 511819455 /nfs/dbraw/zinc/81/94/55/511819455.db2.gz VOPZGRDGIRUJFR-QFBILLFUSA-N 1 0 350.528 2.868 20 10 FFCDRO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274760510 511933296 /nfs/dbraw/zinc/93/32/96/511933296.db2.gz JZLGBJWKBALNIA-ZIAGYGMSSA-N 1 0 354.248 2.663 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1F ZINC000293664563 512044042 /nfs/dbraw/zinc/04/40/42/512044042.db2.gz OFEKRJMFKJKIDJ-KRWDZBQOSA-N 1 0 361.465 2.593 20 10 FFCDRO CNC(=O)c1cccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000371980585 512664328 /nfs/dbraw/zinc/66/43/28/512664328.db2.gz ZCJLBMUXRVNLSQ-UHFFFAOYSA-N 1 0 353.466 2.813 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000374428750 512829362 /nfs/dbraw/zinc/82/93/62/512829362.db2.gz MSKLHMWGHNHZTF-RYQLBKOJSA-N 1 0 366.889 2.932 20 10 FFCDRO O=C(Cc1ccncc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378603038 512845311 /nfs/dbraw/zinc/84/53/11/512845311.db2.gz YJLIESNTQODERL-KRWDZBQOSA-N 1 0 359.857 2.764 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(=O)[nH]1 ZINC000370293584 512862824 /nfs/dbraw/zinc/86/28/24/512862824.db2.gz HDRHBZMECZIMSM-CQSZACIVSA-N 1 0 361.829 2.541 20 10 FFCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000370670391 513044275 /nfs/dbraw/zinc/04/42/75/513044275.db2.gz AWRJTBOUHJHSRY-RDTXWAMCSA-N 1 0 370.472 2.969 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@@H]2C)C1 ZINC000435610624 513635450 /nfs/dbraw/zinc/63/54/50/513635450.db2.gz LFYWPVFUFQUVPO-INIZCTEOSA-N 1 0 355.482 2.655 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccn(C)n2)C1 ZINC000436018766 513737817 /nfs/dbraw/zinc/73/78/17/513737817.db2.gz KUCCPQKSTBGMQY-UHFFFAOYSA-N 1 0 365.481 2.804 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000527152162 517528633 /nfs/dbraw/zinc/52/86/33/517528633.db2.gz PBJCALFOYXVMBC-KRWDZBQOSA-N 1 0 372.513 2.643 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnns2)C1 ZINC000565635333 519053615 /nfs/dbraw/zinc/05/36/15/519053615.db2.gz HJCSFURNCIHQAU-UHFFFAOYSA-N 1 0 355.467 2.898 20 10 FFCDRO CO[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000629688235 522397017 /nfs/dbraw/zinc/39/70/17/522397017.db2.gz GKBOKHXCZNBJAT-WKILWMFISA-N 1 0 355.482 2.701 20 10 FFCDRO Cc1cccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897977472 735298841 /nfs/dbraw/zinc/29/88/41/735298841.db2.gz HZQRKRUFOISQLG-CYBMUJFWSA-N 1 0 362.227 2.511 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cnc3n2CCOC3)c(C(F)(F)F)c1 ZINC000898267010 735335191 /nfs/dbraw/zinc/33/51/91/735335191.db2.gz AFQXXWSSWNXZQV-UHFFFAOYSA-N 1 0 354.376 2.788 20 10 FFCDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000898399686 735355835 /nfs/dbraw/zinc/35/58/35/735355835.db2.gz SUWDTYSAJQSGRC-QHCPKHFHSA-N 1 0 359.923 2.832 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc4c3OCC4)SC2=S)CC1 ZINC000899261117 735467625 /nfs/dbraw/zinc/46/76/25/735467625.db2.gz ZYJGGUDNSQLEDI-PTNGSMBKSA-N 1 0 360.504 2.917 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092643694 728469743 /nfs/dbraw/zinc/46/97/43/728469743.db2.gz YGALAHBTKWHQNC-JTQLQIEISA-N 1 0 358.232 2.548 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCc1nc(-c3ccccn3)cs1)OCO2 ZINC000123961417 728665126 /nfs/dbraw/zinc/66/51/26/728665126.db2.gz DUSPMFDVJRMDMO-UHFFFAOYSA-N 1 0 355.419 2.972 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000178833880 729171293 /nfs/dbraw/zinc/17/12/93/729171293.db2.gz WMZKNORFRVDLPU-CZUORRHYSA-N 1 0 353.413 2.515 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185322599 729346645 /nfs/dbraw/zinc/34/66/45/729346645.db2.gz FPDHNMSZAPDYFP-STQMWFEESA-N 1 0 364.467 2.721 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000187555598 729378318 /nfs/dbraw/zinc/37/83/18/729378318.db2.gz WFXACMXJJAVFIP-UHFFFAOYSA-N 1 0 364.442 2.669 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000779019439 738429782 /nfs/dbraw/zinc/42/97/82/738429782.db2.gz RVUPKJPMKVLLPV-BXUZGUMPSA-N 1 0 358.276 2.901 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC000271783805 729697469 /nfs/dbraw/zinc/69/74/69/729697469.db2.gz HZNWGXNOGPZORH-UHFFFAOYSA-N 1 0 353.260 2.565 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)[C@@]12CCCO2 ZINC000759170320 736552755 /nfs/dbraw/zinc/55/27/55/736552755.db2.gz AUHLBVBFLLAZBH-OAGGEKHMSA-N 1 0 356.260 2.971 20 10 FFCDRO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)n1 ZINC000924906154 738460873 /nfs/dbraw/zinc/46/08/73/738460873.db2.gz JVBUSXYMGQSIQO-LBPRGKRZSA-N 1 0 351.401 2.736 20 10 FFCDRO CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)ccn1 ZINC000856625235 730347525 /nfs/dbraw/zinc/34/75/25/730347525.db2.gz DMQYWTHKXIOYJJ-INIZCTEOSA-N 1 0 361.467 2.594 20 10 FFCDRO O=C(C1CC1)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858094475 730416346 /nfs/dbraw/zinc/41/63/46/730416346.db2.gz MGUAGQAOFUYHLL-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1F ZINC000858175627 730418681 /nfs/dbraw/zinc/41/86/81/730418681.db2.gz SCPPGLASXRTURD-DYVFJYSZSA-N 1 0 350.413 2.774 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1F ZINC000858175628 730418682 /nfs/dbraw/zinc/41/86/82/730418682.db2.gz SCPPGLASXRTURD-GUYCJALGSA-N 1 0 350.413 2.774 20 10 FFCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)[C@]1(O)CCCOC1 ZINC000858195487 730419427 /nfs/dbraw/zinc/41/94/27/730419427.db2.gz YHRSBXDMKNNLFN-INIZCTEOSA-N 1 0 358.276 2.812 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000859879075 730468221 /nfs/dbraw/zinc/46/82/21/730468221.db2.gz MXVLQOPIDRZNTE-QAPCUYQASA-N 1 0 362.813 2.969 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnnn1C ZINC000925160846 738484439 /nfs/dbraw/zinc/48/44/39/738484439.db2.gz NCPLPQVDJRPJOO-OLZOCXBDSA-N 1 0 351.401 2.736 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC(F)(F)C1 ZINC000862294405 730686250 /nfs/dbraw/zinc/68/62/50/730686250.db2.gz IFKWYCVEQQWHMN-UKRRQHHQSA-N 1 0 351.441 2.912 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862332119 730689003 /nfs/dbraw/zinc/68/90/03/730689003.db2.gz RTNKJOCIIBHFSG-NWDGAFQWSA-N 1 0 372.259 2.697 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862398132 730697231 /nfs/dbraw/zinc/69/72/31/730697231.db2.gz YMOOIQDWOSXKBQ-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000862406980 730698307 /nfs/dbraw/zinc/69/83/07/730698307.db2.gz SXKSYGMGYBQVEC-CQSZACIVSA-N 1 0 369.303 2.841 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000862513771 730705855 /nfs/dbraw/zinc/70/58/55/730705855.db2.gz VIFLVROVCFHMBY-ZDUSSCGKSA-N 1 0 374.840 2.910 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c1O ZINC000865767548 730995324 /nfs/dbraw/zinc/99/53/24/730995324.db2.gz VHDKDKKLPLSHDE-JCNLHEQBSA-N 1 0 361.463 2.885 20 10 FFCDRO CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000866571310 731075487 /nfs/dbraw/zinc/07/54/87/731075487.db2.gz CIBISJQLPQYYLJ-LBPRGKRZSA-N 1 0 368.421 2.766 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000866579742 731076474 /nfs/dbraw/zinc/07/64/74/731076474.db2.gz ZMHDXZSLUSBSNE-HNNXBMFYSA-N 1 0 361.511 2.554 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000873100750 731874933 /nfs/dbraw/zinc/87/49/33/731874933.db2.gz DAKNYISOHFIMAT-HKUYNNGSSA-N 1 0 367.511 2.610 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000876558709 732257075 /nfs/dbraw/zinc/25/70/75/732257075.db2.gz VOFPUFWAGGEWFY-UHFFFAOYSA-N 1 0 366.508 2.705 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000876944098 732300801 /nfs/dbraw/zinc/30/08/01/732300801.db2.gz YOJUUANOSGFDPG-IBGZPJMESA-N 1 0 350.528 2.771 20 10 FFCDRO CCOC(=O)[C@@]1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCOC1 ZINC000877699151 732416535 /nfs/dbraw/zinc/41/65/35/732416535.db2.gz YXTKIBWIVLXMAH-QGZVFWFLSA-N 1 0 357.834 2.504 20 10 FFCDRO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)c1ccccc1O ZINC000879650574 732742519 /nfs/dbraw/zinc/74/25/19/732742519.db2.gz ICKIOGLFLFLWIM-AXHNFQJDSA-N 1 0 350.459 2.803 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC34CCSCC4)cc2)CC1 ZINC000881853153 733120807 /nfs/dbraw/zinc/12/08/07/733120807.db2.gz LCUZBFCEPJYSKL-SFHVURJKSA-N 1 0 359.539 2.588 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)ccc1O ZINC000927155287 738697707 /nfs/dbraw/zinc/69/77/07/738697707.db2.gz JMZGQXALYNIGLI-NZVBXONLSA-N 1 0 356.260 2.735 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccncc3Cl)cc2)CC1 ZINC000886324933 733773853 /nfs/dbraw/zinc/77/38/53/733773853.db2.gz MKZDCOZMXSDPJG-UHFFFAOYSA-N 1 0 358.873 2.727 20 10 FFCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886324655 733773879 /nfs/dbraw/zinc/77/38/79/733773879.db2.gz BBBXDXNDQFIEGJ-UHFFFAOYSA-N 1 0 358.511 2.751 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2SCCCS2)[NH+](C)C)cc1 ZINC000891248961 734404574 /nfs/dbraw/zinc/40/45/74/734404574.db2.gz PGPOGENZRVWGRG-OAHLLOKOSA-N 1 0 353.557 2.668 20 10 FFCDRO CCn1ncc(Cl)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247848 734404586 /nfs/dbraw/zinc/40/45/86/734404586.db2.gz VRGLXUAEMABKAG-INIZCTEOSA-N 1 0 363.893 2.655 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnc(Cl)c2F)[NH+](C)C)cc1 ZINC000891251492 734404973 /nfs/dbraw/zinc/40/49/73/734404973.db2.gz FGOLEXUGJIVFGQ-HNNXBMFYSA-N 1 0 364.852 2.973 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252858 734405465 /nfs/dbraw/zinc/40/54/65/734405465.db2.gz OFZGMXMNPGEFBN-IRXDYDNUSA-N 1 0 367.584 2.710 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(Cl)nn3)CC2)cc1 ZINC000727856830 734503844 /nfs/dbraw/zinc/50/38/44/734503844.db2.gz KKFGJFUCGSCSPU-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000892621201 734581517 /nfs/dbraw/zinc/58/15/17/734581517.db2.gz HUQAISZHNFLLFI-CJNGLKHVSA-N 1 0 357.267 2.925 20 10 FFCDRO CCCN(CC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730134331 734617925 /nfs/dbraw/zinc/61/79/25/734617925.db2.gz YFLNEEBLDXDYCD-UHFFFAOYSA-N 1 0 350.482 2.909 20 10 FFCDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000730827197 734652941 /nfs/dbraw/zinc/65/29/41/734652941.db2.gz XPONCYLKQWZMLS-GJZGRUSLSA-N 1 0 350.482 2.954 20 10 FFCDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000730827198 734652966 /nfs/dbraw/zinc/65/29/66/734652966.db2.gz XPONCYLKQWZMLS-HUUCEWRRSA-N 1 0 350.482 2.954 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1O ZINC000894148582 734809175 /nfs/dbraw/zinc/80/91/75/734809175.db2.gz AFYQCENCKRZHCN-INIZCTEOSA-N 1 0 362.495 2.934 20 10 FFCDRO Cn1nc2c(c1C[NH2+]Cc1cc(Br)ccc1O)CSCC2 ZINC000894754783 734911099 /nfs/dbraw/zinc/91/10/99/734911099.db2.gz HGIBVTAOQGHTQO-UHFFFAOYSA-N 1 0 368.300 2.967 20 10 FFCDRO CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC000895034557 734955629 /nfs/dbraw/zinc/95/56/29/734955629.db2.gz SUYXNBLSGHOSDU-UHFFFAOYSA-N 1 0 353.457 2.662 20 10 FFCDRO COC(=O)c1nc(C[NH2+]Cc2cc(C)cc(OC)c2O)ccc1Cl ZINC000895254030 734981745 /nfs/dbraw/zinc/98/17/45/734981745.db2.gz OCHDWKRCIUKZKC-UHFFFAOYSA-N 1 0 350.802 2.834 20 10 FFCDRO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895451152 735007984 /nfs/dbraw/zinc/00/79/84/735007984.db2.gz ISRMEUYODXWCHX-RHSMWYFYSA-N 1 0 353.304 2.911 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000895608836 735031424 /nfs/dbraw/zinc/03/14/24/735031424.db2.gz UBPXJKCTULKWBE-UHFFFAOYSA-N 1 0 359.495 2.576 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](O)c2ccc(C)o2)c1O ZINC000741263012 735128836 /nfs/dbraw/zinc/12/88/36/735128836.db2.gz XPZKRWVSIKXFHJ-LBPRGKRZSA-N 1 0 356.216 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2nnc(-c3ccon3)s2)[NH+](C)C)cc1 ZINC000897520927 735242030 /nfs/dbraw/zinc/24/20/30/735242030.db2.gz APINQYMMXRMWQZ-HNNXBMFYSA-N 1 0 358.471 2.974 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000748958663 735684991 /nfs/dbraw/zinc/68/49/91/735684991.db2.gz DNSNLJQUABBAPN-HOCLYGCPSA-N 1 0 350.482 2.906 20 10 FFCDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000903369663 736083819 /nfs/dbraw/zinc/08/38/19/736083819.db2.gz ZHWPHBUERVJEMO-LPHOPBHVSA-N 1 0 366.527 2.531 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(Br)cc1O ZINC000756756950 736359165 /nfs/dbraw/zinc/35/91/65/736359165.db2.gz ASEAHPDSOCCPEU-SNVBAGLBSA-N 1 0 362.289 2.630 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@]12CCOC2 ZINC000764257468 737005951 /nfs/dbraw/zinc/00/59/51/737005951.db2.gz HLANPHFHQJCBDO-MDZRGWNJSA-N 1 0 364.873 2.553 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccsc1 ZINC000765981601 737180416 /nfs/dbraw/zinc/18/04/16/737180416.db2.gz XKWYWNFKEUUCSM-CQSZACIVSA-N 1 0 350.509 2.834 20 10 FFCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766028338 737185037 /nfs/dbraw/zinc/18/50/37/737185037.db2.gz LLPCIUSHNXFHHE-KBXCAEBGSA-N 1 0 356.894 2.615 20 10 FFCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)ccc1O ZINC000766490661 737234603 /nfs/dbraw/zinc/23/46/03/737234603.db2.gz UUWWKAHPNGVATN-OAHLLOKOSA-N 1 0 354.219 2.987 20 10 FFCDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768462439 737424437 /nfs/dbraw/zinc/42/44/37/737424437.db2.gz LKHWTNVRLUMKJR-CQSZACIVSA-N 1 0 351.443 2.965 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000769385650 737523027 /nfs/dbraw/zinc/52/30/27/737523027.db2.gz ZIYICODGXSKCFZ-GOSISDBHSA-N 1 0 367.559 2.814 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCSC1 ZINC000771066174 737691451 /nfs/dbraw/zinc/69/14/51/737691451.db2.gz OWKAXOGDWBKHNG-IUODEOHRSA-N 1 0 354.903 2.879 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc1 ZINC000773049220 737865807 /nfs/dbraw/zinc/86/58/07/737865807.db2.gz BFACPHQLCWFOMK-PBHICJAKSA-N 1 0 353.532 2.935 20 10 FFCDRO CCN(C)c1ccc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000773813853 737936770 /nfs/dbraw/zinc/93/67/70/737936770.db2.gz WNNNJBOVPDPBQM-HNNXBMFYSA-N 1 0 361.511 2.902 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1O ZINC000775525183 738099265 /nfs/dbraw/zinc/09/92/65/738099265.db2.gz DSHGVHOXWDIVFT-HUUCEWRRSA-N 1 0 362.861 2.934 20 10 FFCDRO CNS(=O)(=O)CCC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776010001 738151567 /nfs/dbraw/zinc/15/15/67/738151567.db2.gz LDRZJEOQEMIKLU-MRXNPFEDSA-N 1 0 362.495 2.895 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)c(Cl)c1 ZINC000922496149 738155745 /nfs/dbraw/zinc/15/57/45/738155745.db2.gz FRHLGWTXNOWVQJ-UHFFFAOYSA-N 1 0 351.834 2.661 20 10 FFCDRO CS[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1[NH+]1CCCC1 ZINC000776486948 738199110 /nfs/dbraw/zinc/19/91/10/738199110.db2.gz VDGOOZNPHQJEGA-IRXDYDNUSA-N 1 0 352.475 2.746 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922813558 738205025 /nfs/dbraw/zinc/20/50/25/738205025.db2.gz WCORFOZOBXDCLJ-GFCCVEGCSA-N 1 0 356.260 2.973 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000788543553 739257200 /nfs/dbraw/zinc/25/72/00/739257200.db2.gz XAHXKRDBQORWKU-SJLPKXTDSA-N 1 0 368.568 2.685 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000788736691 739278140 /nfs/dbraw/zinc/27/81/40/739278140.db2.gz GPOLKAQARBLTGU-OAHLLOKOSA-N 1 0 354.516 2.721 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000793284794 739762138 /nfs/dbraw/zinc/76/21/38/739762138.db2.gz HDXOLNCBRCXVPD-LBPRGKRZSA-N 1 0 371.275 2.511 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C)cc1O ZINC000794817098 739933438 /nfs/dbraw/zinc/93/34/38/739933438.db2.gz PDGVPQJXQNDSKV-UKRRQHHQSA-N 1 0 369.508 2.638 20 10 FFCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc(Br)ccc1O ZINC000795155716 739976206 /nfs/dbraw/zinc/97/62/06/739976206.db2.gz PHZKNTFOIDGOBM-ZDUSSCGKSA-N 1 0 372.332 2.603 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000796454791 740144450 /nfs/dbraw/zinc/14/44/50/740144450.db2.gz ROWQFQTXFLPIAS-CYBMUJFWSA-N 1 0 369.263 2.779 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000799717342 740445223 /nfs/dbraw/zinc/44/52/23/740445223.db2.gz MANYULZDICUIRS-UHFFFAOYSA-N 1 0 372.481 2.835 20 10 FFCDRO CC(C)(C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000799776237 740450389 /nfs/dbraw/zinc/45/03/89/740450389.db2.gz ONBCGTPLIXMQTH-HNNXBMFYSA-N 1 0 374.934 2.976 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000806183587 741046087 /nfs/dbraw/zinc/04/60/87/741046087.db2.gz VFBAOEACVMXSEL-HOTGVXAUSA-N 1 0 360.479 2.814 20 10 FFCDRO O=C(NCCCSc1nccs1)NCc1cnc2n1CCCC2 ZINC000806958558 741098281 /nfs/dbraw/zinc/09/82/81/741098281.db2.gz JNPLBPMLPODVDP-UHFFFAOYSA-N 1 0 351.501 2.658 20 10 FFCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808674174 741251459 /nfs/dbraw/zinc/25/14/59/741251459.db2.gz BHGIHKCQLQXECM-LBPRGKRZSA-N 1 0 360.907 2.819 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000809698319 741333018 /nfs/dbraw/zinc/33/30/18/741333018.db2.gz YFRIKIPFVQSAIV-DOTOQJQBSA-N 1 0 358.404 2.516 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000809742610 741338777 /nfs/dbraw/zinc/33/87/77/741338777.db2.gz ARBFEHMQMGVSKZ-UHFFFAOYSA-N 1 0 370.335 2.532 20 10 FFCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000809778843 741343078 /nfs/dbraw/zinc/34/30/78/741343078.db2.gz WTCAAKMRWLDGTG-ZDUSSCGKSA-N 1 0 355.276 2.893 20 10 FFCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000810181461 741395436 /nfs/dbraw/zinc/39/54/36/741395436.db2.gz MUCJKDYOVCVCAK-UHFFFAOYSA-N 1 0 370.559 2.968 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000811940593 741576205 /nfs/dbraw/zinc/57/62/05/741576205.db2.gz NWIYHQROMIZSIP-ZDUSSCGKSA-N 1 0 367.515 2.588 20 10 FFCDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816608657 742046818 /nfs/dbraw/zinc/04/68/18/742046818.db2.gz GGHROYBAHQFRJU-CRAIPNDOSA-N 1 0 362.495 2.743 20 10 FFCDRO C[NH+](C)[C@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817997126 742227396 /nfs/dbraw/zinc/22/73/96/742227396.db2.gz LYTLHAIFKVWGSB-INIZCTEOSA-N 1 0 358.511 2.872 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000818965660 742316653 /nfs/dbraw/zinc/31/66/53/742316653.db2.gz CRBZTOPJVVZTGT-XHBSWPGZSA-N 1 0 364.383 2.842 20 10 FFCDRO O[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000819003863 742323337 /nfs/dbraw/zinc/32/33/37/742323337.db2.gz ZVZOAZUVLSWQFO-ZDUSSCGKSA-N 1 0 354.319 2.770 20 10 FFCDRO CC(C)OC[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120044 742339916 /nfs/dbraw/zinc/33/99/16/742339916.db2.gz IQYRWBBWDARREF-GOEBONIOSA-N 1 0 358.429 2.632 20 10 FFCDRO CCOCC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120884 742339956 /nfs/dbraw/zinc/33/99/56/742339956.db2.gz ROUSANLYLRFPFQ-GOEBONIOSA-N 1 0 358.429 2.634 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000824542809 743101754 /nfs/dbraw/zinc/10/17/54/743101754.db2.gz BURYNKMWHISSMO-UHFFFAOYSA-N 1 0 367.243 2.505 20 10 FFCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825391594 743261598 /nfs/dbraw/zinc/26/15/98/743261598.db2.gz YNRUUWCXFQJBGN-RDJZCZTQSA-N 1 0 366.255 2.729 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000825531519 743290155 /nfs/dbraw/zinc/29/01/55/743290155.db2.gz YJFVVBWVDZAZQT-UHFFFAOYSA-N 1 0 354.273 2.789 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1Cl ZINC000825892669 743339632 /nfs/dbraw/zinc/33/96/32/743339632.db2.gz GJISNORRKIPGAO-MQVJKMGUSA-N 1 0 365.905 2.527 20 10 FFCDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000826903340 743467194 /nfs/dbraw/zinc/46/71/94/743467194.db2.gz PJTMENVVURKSIF-NILFDRSVSA-N 1 0 358.276 2.810 20 10 FFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000826929030 743472469 /nfs/dbraw/zinc/47/24/69/743472469.db2.gz UJXULJJALJLXLD-CQSZACIVSA-N 1 0 358.511 2.920 20 10 FFCDRO CCC[C@@H](OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095332 743504598 /nfs/dbraw/zinc/50/45/98/743504598.db2.gz DRKALASFCCZNIH-DOTOQJQBSA-N 1 0 354.878 2.941 20 10 FFCDRO C[NH+]1CCC(CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000828071708 745024455 /nfs/dbraw/zinc/02/44/55/745024455.db2.gz WAFMCIRGALTARS-UHFFFAOYSA-N 1 0 358.511 2.778 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000832266505 745668828 /nfs/dbraw/zinc/66/88/28/745668828.db2.gz GTQMMRVMROBGCJ-DOTOQJQBSA-N 1 0 361.536 2.961 20 10 FFCDRO CCO[C@@H](C)c1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832272984 745669771 /nfs/dbraw/zinc/66/97/71/745669771.db2.gz KYIQGRMVAGMDJT-WFASDCNBSA-N 1 0 362.499 2.736 20 10 FFCDRO CSc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+](C)C)cc1 ZINC000832932898 745766387 /nfs/dbraw/zinc/76/63/87/745766387.db2.gz CKHNRAAOEFXDDG-AWEZNQCLSA-N 1 0 364.442 2.992 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834850446 745914080 /nfs/dbraw/zinc/91/40/80/745914080.db2.gz MOIOWTSTQJPMJL-TZMCWYRMSA-N 1 0 357.292 2.652 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835028962 745933363 /nfs/dbraw/zinc/93/33/63/745933363.db2.gz OCBJTCICGXCTRJ-VOTSOKGWSA-N 1 0 365.543 2.512 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000835040717 745937942 /nfs/dbraw/zinc/93/79/42/745937942.db2.gz FUNMFZIPXXCEJM-WMHVBEDNSA-N 1 0 355.404 2.909 20 10 FFCDRO CCn1ncc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000838973249 746747974 /nfs/dbraw/zinc/74/79/74/746747974.db2.gz WIIOUTZPJHBAEB-CYBMUJFWSA-N 1 0 351.401 2.658 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000840123810 747010866 /nfs/dbraw/zinc/01/08/66/747010866.db2.gz CDHWOZFESSJFHU-HIFRSBDPSA-N 1 0 356.388 2.852 20 10 FFCDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C12CCC2 ZINC000840757441 747174708 /nfs/dbraw/zinc/17/47/08/747174708.db2.gz KICHUZQLVVBZIY-IAGOWNOFSA-N 1 0 352.425 2.849 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000840885605 747213044 /nfs/dbraw/zinc/21/30/44/747213044.db2.gz ZPSVUTZJGFMXLN-GFCCVEGCSA-N 1 0 365.813 2.612 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000840945402 747237379 /nfs/dbraw/zinc/23/73/79/747237379.db2.gz MLXRODZSTMKJHE-ZDUSSCGKSA-N 1 0 372.918 2.648 20 10 FFCDRO [NH3+]CC[C@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000841091587 747267299 /nfs/dbraw/zinc/26/72/99/747267299.db2.gz AZHYAFNWGSNQEL-HNNXBMFYSA-N 1 0 360.380 2.954 20 10 FFCDRO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000841099530 747268838 /nfs/dbraw/zinc/26/88/38/747268838.db2.gz LGIWARDQFRQSGB-DOTOQJQBSA-N 1 0 369.303 2.873 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@@H]1[NH3+] ZINC000841707085 747436874 /nfs/dbraw/zinc/43/68/74/747436874.db2.gz NETZHRPPSIIQHA-AEFFLSMTSA-N 1 0 362.543 2.509 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CCC([NH3+])CC1 ZINC000841705992 747436928 /nfs/dbraw/zinc/43/69/28/747436928.db2.gz BGIMDYMZICIASI-UHFFFAOYSA-N 1 0 362.543 2.651 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841745234 747447637 /nfs/dbraw/zinc/44/76/37/747447637.db2.gz OKGGTKRNFKWALG-CYBMUJFWSA-N 1 0 368.886 2.816 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000841793860 747461011 /nfs/dbraw/zinc/46/10/11/747461011.db2.gz PTWPNYZHPYCNFS-INIZCTEOSA-N 1 0 354.445 2.705 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841986478 747497201 /nfs/dbraw/zinc/49/72/01/747497201.db2.gz NNKDNTCNNMFJFQ-FZMZJTMJSA-N 1 0 370.291 2.827 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000842785131 747687410 /nfs/dbraw/zinc/68/74/10/747687410.db2.gz PMQCKWJWEAPITE-CQSZACIVSA-N 1 0 371.865 2.523 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3C[S@](C)=O)cc2)CC1 ZINC000843403473 747827495 /nfs/dbraw/zinc/82/74/95/747827495.db2.gz GOCSLJUZECTWLR-VWLOTQADSA-N 1 0 357.523 2.929 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843432800 747835903 /nfs/dbraw/zinc/83/59/03/747835903.db2.gz QCUUJFMCIBCECY-BDUNBXCCSA-N 1 0 355.404 2.766 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843487053 747844230 /nfs/dbraw/zinc/84/42/30/747844230.db2.gz MZOCJBMOAJSOCK-QWRGUYRKSA-N 1 0 365.275 2.717 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1O ZINC000844901388 748131114 /nfs/dbraw/zinc/13/11/14/748131114.db2.gz DRKNHCIVZBKPSV-LRDDRELGSA-N 1 0 355.276 2.724 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000844903228 748132491 /nfs/dbraw/zinc/13/24/91/748132491.db2.gz VPCOCIKRHYVGAR-DJSGYFEHSA-N 1 0 369.849 2.672 20 10 FFCDRO COc1c(O)c(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000846015045 748382576 /nfs/dbraw/zinc/38/25/76/748382576.db2.gz VTBDNLFTFFQTEP-BMIGLBTASA-N 1 0 350.346 2.660 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cnn(C)c2)c1O ZINC000848522414 748949076 /nfs/dbraw/zinc/94/90/76/748949076.db2.gz WMZVPWOOZARAEV-JTQLQIEISA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000848523475 748949421 /nfs/dbraw/zinc/94/94/21/748949421.db2.gz GXEPVMGCUKEUQW-LDWIPMOCSA-N 1 0 358.154 2.737 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848535281 748953884 /nfs/dbraw/zinc/95/38/84/748953884.db2.gz YIKRLODYOPNQSD-GXSJLCMTSA-N 1 0 369.259 2.577 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848928549 749036859 /nfs/dbraw/zinc/03/68/59/749036859.db2.gz GYMAPJXEAOYVQL-ZDUSSCGKSA-N 1 0 355.232 2.536 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000849356460 749110929 /nfs/dbraw/zinc/11/09/29/749110929.db2.gz GWKGSSUUZALKMH-CQSZACIVSA-N 1 0 365.861 2.683 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000850587196 749390789 /nfs/dbraw/zinc/39/07/89/749390789.db2.gz RPPNPPBCCCEIGK-KRWDZBQOSA-N 1 0 367.902 2.525 20 10 FFCDRO CN(C)C(=O)C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccc(Cl)cc21 ZINC000852844384 749964229 /nfs/dbraw/zinc/96/42/29/749964229.db2.gz UDYSNQOTSSURKD-AWEZNQCLSA-N 1 0 361.873 2.558 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000852850482 749965039 /nfs/dbraw/zinc/96/50/39/749965039.db2.gz FWRXULZQQSYCQG-AWEZNQCLSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000852899638 749970995 /nfs/dbraw/zinc/97/09/95/749970995.db2.gz AYWUJDSEEHTKHS-YJBOKZPZSA-N 1 0 359.857 2.744 20 10 FFCDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000853092758 750007245 /nfs/dbraw/zinc/00/72/45/750007245.db2.gz LTCQHHPOCQKHMZ-OAHLLOKOSA-N 1 0 352.228 2.987 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000385498780 845827866 /nfs/dbraw/zinc/82/78/66/845827866.db2.gz YVRFHQASAIDVIX-GJZGRUSLSA-N 1 0 350.459 2.987 20 10 FFCDRO COc1cccc(OCCN2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000180535696 970829415 /nfs/dbraw/zinc/82/94/15/970829415.db2.gz FBJJCLIDMBYAML-UHFFFAOYSA-N 1 0 372.465 2.606 20 10 FFCDRO COc1ccc(C[N@@H+]2CCc3cccc(NC(C)=O)c3C2)c(O)c1OC ZINC000895745503 970910248 /nfs/dbraw/zinc/91/02/48/970910248.db2.gz SOQMXRXTPWTKHA-UHFFFAOYSA-N 1 0 356.422 2.926 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895832677 970996267 /nfs/dbraw/zinc/99/62/67/970996267.db2.gz LROHETPXZZJKGV-MQMHXKEQSA-N 1 0 366.458 2.802 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2=O)c(O)c1OC ZINC000893238988 971053568 /nfs/dbraw/zinc/05/35/68/971053568.db2.gz XCMOULYDVWIILD-KRWDZBQOSA-N 1 0 370.449 2.690 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000840343687 971100436 /nfs/dbraw/zinc/10/04/36/971100436.db2.gz UBKNJHRRGBTVFL-IRXDYDNUSA-N 1 0 358.530 2.942 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275838020 1013060063 /nfs/dbraw/zinc/06/00/63/1013060063.db2.gz RSFDHUAJSORTNQ-LJQANCHMSA-N 1 0 366.889 2.897 20 10 FFCDRO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837157 1013062722 /nfs/dbraw/zinc/06/27/22/1013062722.db2.gz LDAPDLYTBKKVQZ-HNNXBMFYSA-N 1 0 366.889 2.800 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001275838258 1013063396 /nfs/dbraw/zinc/06/33/96/1013063396.db2.gz USKTXYOGOJTCQS-LJQANCHMSA-N 1 0 366.889 2.895 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837741 1013067154 /nfs/dbraw/zinc/06/71/54/1013067154.db2.gz RXWCWICXMFITPY-ACJLOTCBSA-N 1 0 352.862 2.647 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 ZINC000896444024 971493802 /nfs/dbraw/zinc/49/38/02/971493802.db2.gz APSUYOGJDBGBAL-UHFFFAOYSA-N 1 0 368.433 2.558 20 10 FFCDRO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001275892659 1013148292 /nfs/dbraw/zinc/14/82/92/1013148292.db2.gz HXCABAKQVSNJBS-IUIKQTSFSA-N 1 0 350.846 2.588 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2)CC1 ZINC000049740636 960322857 /nfs/dbraw/zinc/32/28/57/960322857.db2.gz WCHXCFPSTRBXGR-UHFFFAOYSA-N 1 0 362.477 2.779 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000873009072 1013346568 /nfs/dbraw/zinc/34/65/68/1013346568.db2.gz SHSZJHHCYHOWEZ-IBGZPJMESA-N 1 0 355.413 2.902 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2CCOC3)[NH+](C)C)cc1 ZINC000891241683 962528370 /nfs/dbraw/zinc/52/83/70/962528370.db2.gz CWFNEQMXOUZYNP-OAQYLSRUSA-N 1 0 367.493 2.858 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000891247704 962572209 /nfs/dbraw/zinc/57/22/09/962572209.db2.gz UIHCDEFJKGPBII-SFHVURJKSA-N 1 0 357.502 2.737 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3oc(=O)[nH]c32)[NH+](C)C)cc1 ZINC000891247813 962578930 /nfs/dbraw/zinc/57/89/30/962578930.db2.gz KOYUIBKYBCZQGU-MRXNPFEDSA-N 1 0 368.437 2.632 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(s2)CCOC3)[NH+](C)C)cc1 ZINC000891250630 962592129 /nfs/dbraw/zinc/59/21/29/962592129.db2.gz AYWNKCJEGVLVFR-QGZVFWFLSA-N 1 0 373.522 2.920 20 10 FFCDRO Cc1cncc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891252834 962605797 /nfs/dbraw/zinc/60/57/97/962605797.db2.gz OBAHBWOTRXVLDW-OJWOGGGRSA-N 1 0 352.482 2.888 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Cn1cccn1 ZINC000873099565 1013384510 /nfs/dbraw/zinc/38/45/10/1013384510.db2.gz MTIKZKZQGAYSNW-HXUWFJFHSA-N 1 0 369.440 2.772 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1Cn1cccn1 ZINC000873099950 1013384722 /nfs/dbraw/zinc/38/47/22/1013384722.db2.gz HJJFWUZXEMQKIF-GOSISDBHSA-N 1 0 357.454 2.715 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)C(=O)N1C1CCCC1 ZINC001276064749 1013393056 /nfs/dbraw/zinc/39/30/56/1013393056.db2.gz WMDOEGHDWAAVSW-HXUWFJFHSA-N 1 0 360.429 2.815 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnc(C(F)(F)F)nc3)cc2)CC1 ZINC001167431118 963083153 /nfs/dbraw/zinc/08/31/53/963083153.db2.gz HYCAGJGRXGEDII-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1Cn1cccn1 ZINC000873135947 1013396568 /nfs/dbraw/zinc/39/65/68/1013396568.db2.gz QQNPKSYIXIOWOV-MISYRCLQSA-N 1 0 373.497 2.596 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ccc(F)cc1[O-] ZINC000873242365 1013441221 /nfs/dbraw/zinc/44/12/21/1013441221.db2.gz AREWPPLWRZXPKK-GOSISDBHSA-N 1 0 355.417 2.812 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891853870 965229681 /nfs/dbraw/zinc/22/96/81/965229681.db2.gz DHQZLETWBFUVNW-CYBMUJFWSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1OC ZINC000894518478 965442167 /nfs/dbraw/zinc/44/21/67/965442167.db2.gz CQMKYURRVPUSRE-CQSZACIVSA-N 1 0 374.437 2.510 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000894859434 965951633 /nfs/dbraw/zinc/95/16/33/965951633.db2.gz ISVAIDREOZQUTM-SFHVURJKSA-N 1 0 354.450 2.642 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cccc(O)c2)[NH+](C)C)cc1 ZINC000892213114 966289983 /nfs/dbraw/zinc/28/99/83/966289983.db2.gz VSKBJWQLRBLOCL-IBGZPJMESA-N 1 0 356.470 2.560 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cccc(O)c2)[NH+](C)C)cc1 ZINC000892213116 966290521 /nfs/dbraw/zinc/29/05/21/966290521.db2.gz VSKBJWQLRBLOCL-LJQANCHMSA-N 1 0 356.470 2.560 20 10 FFCDRO CN(C)c1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1F ZINC000124689809 1013663156 /nfs/dbraw/zinc/66/31/56/1013663156.db2.gz IIOIOLDQAXZIST-UHFFFAOYSA-N 1 0 372.444 2.973 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001177061552 1013840709 /nfs/dbraw/zinc/84/07/09/1013840709.db2.gz PNQGMTCCFBNLSC-OAHLLOKOSA-N 1 0 371.319 2.910 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@]23C[C@H]2COC3)cc1C ZINC001024970695 969428285 /nfs/dbraw/zinc/42/82/85/969428285.db2.gz VFQYHTXBWZTIMW-UEXGIBASSA-N 1 0 358.482 2.511 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c(O)c1OC ZINC000892720514 970245368 /nfs/dbraw/zinc/24/53/68/970245368.db2.gz LQRKQEKNJLDGNK-INIZCTEOSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3c(O)cccc3OC)C2)cc1F ZINC000895503656 970674820 /nfs/dbraw/zinc/67/48/20/970674820.db2.gz NLYWDQORDIEBSE-ZDUSSCGKSA-N 1 0 360.385 2.831 20 10 FFCDRO COc1ccc(C[NH2+]CC(=O)N2CCCCc3ccccc32)c(O)c1OC ZINC000896925606 973018892 /nfs/dbraw/zinc/01/88/92/973018892.db2.gz KHKPAYQYUYJDLP-UHFFFAOYSA-N 1 0 370.449 2.869 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)nn1 ZINC000840882063 974005685 /nfs/dbraw/zinc/00/56/85/974005685.db2.gz SHGACYATCVZIDJ-UHFFFAOYSA-N 1 0 366.387 2.930 20 10 FFCDRO Nc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cc1 ZINC000876504285 1014287119 /nfs/dbraw/zinc/28/71/19/1014287119.db2.gz LQJGFEVUFNEZQW-CTNGQTDRSA-N 1 0 351.450 2.746 20 10 FFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)oc1C ZINC000876554931 1014301509 /nfs/dbraw/zinc/30/15/09/1014301509.db2.gz KEHUPEPJSNUSOS-UHFFFAOYSA-N 1 0 372.465 2.968 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)N(C)C)cc1 ZINC000898448765 976459909 /nfs/dbraw/zinc/45/99/09/976459909.db2.gz WUJPIRIOQKVGQX-QGZVFWFLSA-N 1 0 364.440 2.702 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000899101798 976911590 /nfs/dbraw/zinc/91/15/90/976911590.db2.gz MMARVZRHSYWFAW-HXUWFJFHSA-N 1 0 370.497 2.903 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H]3CCCO3)C2)[NH+](C)C)cc1 ZINC000899098467 976922728 /nfs/dbraw/zinc/92/27/28/976922728.db2.gz OUZCZVKLVUQROJ-YZGWKJHDSA-N 1 0 374.529 2.566 20 10 FFCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876771169 1014385484 /nfs/dbraw/zinc/38/54/84/1014385484.db2.gz NTDMXMOORKKDOK-QGZVFWFLSA-N 1 0 360.498 2.811 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000796580173 1014388810 /nfs/dbraw/zinc/38/88/10/1014388810.db2.gz IMMGWJKRGMFFEJ-OAQYLSRUSA-N 1 0 353.466 2.783 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1n1ccnc1 ZINC000876807984 1014399169 /nfs/dbraw/zinc/39/91/69/1014399169.db2.gz MGFINDFBTGHZNY-UWJYYQICSA-N 1 0 354.498 2.927 20 10 FFCDRO COc1cccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1OC ZINC000876946641 1014428887 /nfs/dbraw/zinc/42/88/87/1014428887.db2.gz NMFHQIIIVPPZNJ-UHFFFAOYSA-N 1 0 370.493 2.997 20 10 FFCDRO Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000248408099 977846600 /nfs/dbraw/zinc/84/66/00/977846600.db2.gz DSXMVMGLESFPDS-HOTGVXAUSA-N 1 0 362.376 2.860 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCCc2nc(C)no2)c2cc(F)ccc2n1C ZINC000894246166 978418360 /nfs/dbraw/zinc/41/83/60/978418360.db2.gz IKEOPXLCFFKDNI-UHFFFAOYSA-N 1 0 360.389 2.518 20 10 FFCDRO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172594 1014498456 /nfs/dbraw/zinc/49/84/56/1014498456.db2.gz ULSFNTZORDEINF-QFQXNSOFSA-N 1 0 372.534 2.857 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001272002972 979508272 /nfs/dbraw/zinc/50/82/72/979508272.db2.gz QKKNYJVQTNCSBY-UHFFFAOYSA-N 1 0 372.387 2.978 20 10 FFCDRO CNC(=O)C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877494861 1014599894 /nfs/dbraw/zinc/59/98/94/1014599894.db2.gz OPQVSAGTVJUBJU-NRFANRHFSA-N 1 0 367.493 2.615 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[nH]c1C ZINC000877597960 1014639956 /nfs/dbraw/zinc/63/99/56/1014639956.db2.gz DJHFNDBFGBOCKP-OAHLLOKOSA-N 1 0 357.454 2.734 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000905083706 980376133 /nfs/dbraw/zinc/37/61/33/980376133.db2.gz QWQXVXTYGBEBCS-IRLDBZIGSA-N 1 0 370.493 2.738 20 10 FFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000905480133 980444034 /nfs/dbraw/zinc/44/40/34/980444034.db2.gz CAAUEYADGCXAFD-NRFANRHFSA-N 1 0 367.493 2.520 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](OCc4ccccn4)C3)cc2)CC1 ZINC000877645672 1014659215 /nfs/dbraw/zinc/65/92/15/1014659215.db2.gz RYQGYTHWRQIULH-QFIPXVFZSA-N 1 0 367.493 2.834 20 10 FFCDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000841739642 981315925 /nfs/dbraw/zinc/31/59/25/981315925.db2.gz AIBFOYYKXKVSHH-OXQOHEQNSA-N 1 0 374.529 2.791 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2nccc3c(=O)[nH]cnc32)[NH+](C)C)cc1 ZINC000897523602 981429543 /nfs/dbraw/zinc/42/95/43/981429543.db2.gz VFKBFDUOFKNASH-INIZCTEOSA-N 1 0 352.442 2.511 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1O ZINC000877803744 1014735114 /nfs/dbraw/zinc/73/51/14/1014735114.db2.gz YRTCMNVGUGROPW-CEXWTWQISA-N 1 0 360.498 2.586 20 10 FFCDRO CCn1cnc2c1ncnc2NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000897526019 981507916 /nfs/dbraw/zinc/50/79/16/981507916.db2.gz XAJQRORXHLHXHY-MRXNPFEDSA-N 1 0 353.474 2.627 20 10 FFCDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)NCc1c(O)ccc2c1CCCC2 ZINC000841980333 982499315 /nfs/dbraw/zinc/49/93/15/982499315.db2.gz MVAWVOXVYNOCKP-UHFFFAOYSA-N 1 0 351.450 2.874 20 10 FFCDRO C[C@@H]1CN(C(=O)CN(Cc2ccco2)Cc2ccccc2O)C[C@@H](C)O1 ZINC000072952740 983953917 /nfs/dbraw/zinc/95/39/17/983953917.db2.gz GXJMGJRYMVGRME-HZPDHXFCSA-N 1 0 358.438 2.623 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000878357740 1015001525 /nfs/dbraw/zinc/00/15/25/1015001525.db2.gz GEUAALKAVWYRPB-YLJYHZDGSA-N 1 0 360.498 2.902 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000913410801 984260168 /nfs/dbraw/zinc/26/01/68/984260168.db2.gz HGJYIYQQZWSPKJ-CLFYSBASSA-N 1 0 359.426 2.846 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccc21 ZINC000057660918 984511742 /nfs/dbraw/zinc/51/17/42/984511742.db2.gz OVUBUZRQGSPFBZ-IBGZPJMESA-N 1 0 356.514 2.839 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2F)C[C@H](C)O1 ZINC000921553344 985298314 /nfs/dbraw/zinc/29/83/14/985298314.db2.gz SZOUAELUKOIGNY-GASCZTMLSA-N 1 0 364.440 2.895 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)cc1 ZINC000921606518 985421339 /nfs/dbraw/zinc/42/13/39/985421339.db2.gz JMPNQUNWIYWGOF-VAMGGRTRSA-N 1 0 373.541 2.612 20 10 FFCDRO CC(C)(C)c1cc(O)c(O)c(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000172407588 985543428 /nfs/dbraw/zinc/54/34/28/985543428.db2.gz XKFAYEUCNPBKNC-UHFFFAOYSA-N 1 0 362.514 2.940 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C4CC4)o3)cc2F)CC1 ZINC000878761909 1015202301 /nfs/dbraw/zinc/20/23/01/1015202301.db2.gz RIRQFKKWOVGBQV-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO Cc1c(C)n(C)c2ccc(OS(=O)(=O)C[C@@]34CC[N@H+](C3)CCC4)cc12 ZINC001212202534 988294448 /nfs/dbraw/zinc/29/44/48/988294448.db2.gz RHDXXAHIVXGCTE-IBGZPJMESA-N 1 0 362.495 2.990 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1 ZINC000922496564 988639805 /nfs/dbraw/zinc/63/98/05/988639805.db2.gz JEBUCMJNJRCLJW-VOTSOKGWSA-N 1 0 356.470 2.573 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)cc1 ZINC000922528957 988682955 /nfs/dbraw/zinc/68/29/55/988682955.db2.gz JNKZRTBUMNWTTQ-CTNGQTDRSA-N 1 0 369.513 2.859 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000127733209 1015526557 /nfs/dbraw/zinc/52/65/57/1015526557.db2.gz YDXMELPLZITMSY-NVXWUHKLSA-N 1 0 372.513 2.588 20 10 FFCDRO CO[C@@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)COCc1ccccc1 ZINC000702841406 990045751 /nfs/dbraw/zinc/04/57/51/990045751.db2.gz SPDKRTCYLDDUMB-FQEVSTJZSA-N 1 0 359.422 2.832 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CCc1ccccc1 ZINC000182200299 991980808 /nfs/dbraw/zinc/98/08/08/991980808.db2.gz SDCPCPSRWQQBLO-QFIPXVFZSA-N 1 0 354.494 2.949 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2OC)c1 ZINC000182442973 992047828 /nfs/dbraw/zinc/04/78/28/992047828.db2.gz HCTTZVYSPOMTDT-KGLIPLIRSA-N 1 0 358.438 2.937 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4CN(C(C)=O)C[C@H]43)CC2)cc1 ZINC000808722214 994231150 /nfs/dbraw/zinc/23/11/50/994231150.db2.gz AXOYYRJJZQCIDE-MTNREXPMSA-N 1 0 371.525 2.901 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4CN(C(C)=O)C[C@@H]43)CC2)cc1 ZINC000808722213 994231336 /nfs/dbraw/zinc/23/13/36/994231336.db2.gz AXOYYRJJZQCIDE-BULFRSBZSA-N 1 0 371.525 2.901 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000747548108 994446541 /nfs/dbraw/zinc/44/65/41/994446541.db2.gz VPRKSAIFPRIGBC-GFCCVEGCSA-N 1 0 353.382 2.864 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1O ZINC000809739963 994601515 /nfs/dbraw/zinc/60/15/15/994601515.db2.gz IKZOZAARINBNJN-GFCCVEGCSA-N 1 0 359.382 2.816 20 10 FFCDRO CCCC[C@H](C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000810124815 994706587 /nfs/dbraw/zinc/70/65/87/994706587.db2.gz KNESHGCUKIJHFY-ICSRJNTNSA-N 1 0 363.546 2.689 20 10 FFCDRO CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(C(F)(F)F)cc1O ZINC000810241208 994741326 /nfs/dbraw/zinc/74/13/26/994741326.db2.gz PAQQTHLRIVJCSP-GFCCVEGCSA-N 1 0 372.347 2.530 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(c4cccc(F)c4)CC3)cc2)CC1 ZINC001132899069 995193141 /nfs/dbraw/zinc/19/31/41/995193141.db2.gz LFAQBJDTWHRSSU-UHFFFAOYSA-N 1 0 367.468 2.926 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2)cc1 ZINC000811954557 995289172 /nfs/dbraw/zinc/28/91/72/995289172.db2.gz VMBONQSRWPPOQU-MRXNPFEDSA-N 1 0 362.518 2.692 20 10 FFCDRO CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)cn1 ZINC001082773435 995466974 /nfs/dbraw/zinc/46/69/74/995466974.db2.gz POXGGNYQJBFZLA-VQIMIIECSA-N 1 0 370.497 2.860 20 10 FFCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CN1c1ccccc1F ZINC000812782509 995532555 /nfs/dbraw/zinc/53/25/55/995532555.db2.gz VTZBWVMSTLBHTI-QGZVFWFLSA-N 1 0 369.440 2.557 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C)cc2F)CC1 ZINC000730126739 996857585 /nfs/dbraw/zinc/85/75/85/996857585.db2.gz RWDQYGUVWZHFCO-MAUKXSAKSA-N 1 0 362.493 2.955 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874823 996936053 /nfs/dbraw/zinc/93/60/53/996936053.db2.gz UEVVHJVCKADKIZ-DYESRHJHSA-N 1 0 368.525 2.767 20 10 FFCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(N)=O ZINC000824609363 997011660 /nfs/dbraw/zinc/01/16/60/997011660.db2.gz YKOUDWVXTYGFTG-GOSISDBHSA-N 1 0 359.514 2.637 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)C2)cc1 ZINC000824693681 997059181 /nfs/dbraw/zinc/05/91/81/997059181.db2.gz MPXIPZSUVWWGGT-ROUUACIJSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)C2)cc1 ZINC000824693682 997059401 /nfs/dbraw/zinc/05/94/01/997059401.db2.gz MPXIPZSUVWWGGT-ZWKOTPCHSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)cc1OC ZINC000824733813 997077409 /nfs/dbraw/zinc/07/74/09/997077409.db2.gz ZDRSFVZTCIGDHW-UHFFFAOYSA-N 1 0 366.458 2.897 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC000825111816 997216111 /nfs/dbraw/zinc/21/61/11/997216111.db2.gz PQVJWYOACONRIZ-KGLIPLIRSA-N 1 0 370.449 2.865 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCNS(=O)(=O)c2ccccc2)C2CC2)cc1 ZINC000730663984 997379755 /nfs/dbraw/zinc/37/97/55/997379755.db2.gz WLBZHXRJMKAREO-UHFFFAOYSA-N 1 0 373.522 2.696 20 10 FFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000730785579 997480201 /nfs/dbraw/zinc/48/02/01/997480201.db2.gz CJZBGSGQQLACRR-QGZVFWFLSA-N 1 0 371.481 2.553 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3ccc(F)cc3)CC1)cc2=O ZINC000730933022 997569870 /nfs/dbraw/zinc/56/98/70/997569870.db2.gz SQJKOHTYBYOEOU-UHFFFAOYSA-N 1 0 370.384 2.530 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000845265439 998453955 /nfs/dbraw/zinc/45/39/55/998453955.db2.gz LDKSWZXXTAUNPD-UHFFFAOYSA-N 1 0 362.518 2.646 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000732283311 998597393 /nfs/dbraw/zinc/59/73/93/998597393.db2.gz WKPABWHUFJMXGQ-KRWDZBQOSA-N 1 0 367.440 2.857 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)CN1c1ccc(F)cc1 ZINC001144509434 998622649 /nfs/dbraw/zinc/62/26/49/998622649.db2.gz BAIDYTDZWQTFBD-FQEVSTJZSA-N 1 0 372.396 2.572 20 10 FFCDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000733330808 998964145 /nfs/dbraw/zinc/96/41/45/998964145.db2.gz OMKUZVFGZQSVSG-BEFAXECRSA-N 1 0 374.506 2.928 20 10 FFCDRO NC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000735484827 999431021 /nfs/dbraw/zinc/43/10/21/999431021.db2.gz IPTMAJWHBUGDCC-UHFFFAOYSA-N 1 0 361.445 2.967 20 10 FFCDRO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000740007493 999656955 /nfs/dbraw/zinc/65/69/55/999656955.db2.gz SVURUYWMNBCUSD-NHCUHLMSSA-N 1 0 352.478 2.594 20 10 FFCDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000741054189 999705756 /nfs/dbraw/zinc/70/57/56/999705756.db2.gz JMMGYVJLOUCCEA-MOPGFXCFSA-N 1 0 361.530 2.846 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3ncnc4ccsc43)CC2)cc1 ZINC000742928483 999793846 /nfs/dbraw/zinc/79/38/46/999793846.db2.gz SSZZWMGWXVMUHK-UHFFFAOYSA-N 1 0 369.494 2.934 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(C(C)C)CC3)CC2)cc1 ZINC000743851365 999833524 /nfs/dbraw/zinc/83/35/24/999833524.db2.gz FLZSGCKLZKIFAE-UHFFFAOYSA-N 1 0 359.514 2.712 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH+]3C4CCCC3CCC4)CC2)cc1 ZINC000743851227 999833736 /nfs/dbraw/zinc/83/37/36/999833736.db2.gz BIFDXMAZODIORV-UHFFFAOYSA-N 1 0 357.498 2.751 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000745855562 999935099 /nfs/dbraw/zinc/93/50/99/999935099.db2.gz WFHUSLWMAULBHT-KBAYOESNSA-N 1 0 361.486 2.566 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000767371234 1000111865 /nfs/dbraw/zinc/11/18/65/1000111865.db2.gz MGTHCOVLZVPDPP-FPOVZHCZSA-N 1 0 370.518 2.815 20 10 FFCDRO COc1cc(OC)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000845926387 1000185502 /nfs/dbraw/zinc/18/55/02/1000185502.db2.gz QEMQSAIOWVEFHF-UHFFFAOYSA-N 1 0 360.429 2.969 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768218467 1000196495 /nfs/dbraw/zinc/19/64/95/1000196495.db2.gz JGKLOHUUIMOAIL-JXFKEZNVSA-N 1 0 370.449 2.908 20 10 FFCDRO COc1cccc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1O ZINC000846048529 1000197175 /nfs/dbraw/zinc/19/71/75/1000197175.db2.gz LLXKWUQSAYSKBN-PMACEKPBSA-N 1 0 368.477 2.876 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCc3ccc(C[NH3+])cc3F)ccc21 ZINC000846147966 1000219644 /nfs/dbraw/zinc/21/96/44/1000219644.db2.gz YNFOIYAYKSJSTK-UHFFFAOYSA-N 1 0 356.445 2.666 20 10 FFCDRO COCC[N@H+](CCCc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439240 1000247239 /nfs/dbraw/zinc/24/72/39/1000247239.db2.gz DSHBHTGYUVZLFP-FQEVSTJZSA-N 1 0 357.450 2.899 20 10 FFCDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768440784 1000248852 /nfs/dbraw/zinc/24/88/52/1000248852.db2.gz DSZBVFVXEJAIAL-GDBMZVCRSA-N 1 0 360.458 2.671 20 10 FFCDRO COc1ccc(OC2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000768438546 1000249312 /nfs/dbraw/zinc/24/93/12/1000249312.db2.gz BKOBLORMDZRYSV-FQEVSTJZSA-N 1 0 371.433 2.870 20 10 FFCDRO Cc1ccc(C)c(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000768463411 1000262971 /nfs/dbraw/zinc/26/29/71/1000262971.db2.gz SPEJLOYSFJPYKB-FQEVSTJZSA-N 1 0 354.450 2.757 20 10 FFCDRO CN(c1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768464786 1000263334 /nfs/dbraw/zinc/26/33/34/1000263334.db2.gz VLAYFXINQRUTTI-HXUWFJFHSA-N 1 0 354.450 2.919 20 10 FFCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1)CC(F)(F)F ZINC000768464309 1000263759 /nfs/dbraw/zinc/26/37/59/1000263759.db2.gz PZUWEDDJAQCCPY-BLLLJJGKSA-N 1 0 374.403 2.524 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000769130655 1000442030 /nfs/dbraw/zinc/44/20/30/1000442030.db2.gz AWCPMOJDDXOLJB-UHFFFAOYSA-N 1 0 372.440 2.817 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(N2CCOCC2)cc1 ZINC000769215967 1000466922 /nfs/dbraw/zinc/46/69/22/1000466922.db2.gz CDGIMHDIILLODQ-OAHLLOKOSA-N 1 0 367.453 2.763 20 10 FFCDRO CCCN(CCC)c1ccc(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000769506685 1000535979 /nfs/dbraw/zinc/53/59/79/1000535979.db2.gz VCTOZISKSILGFT-UHFFFAOYSA-N 1 0 374.573 2.909 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2CCOC2)C1 ZINC000769663800 1000571655 /nfs/dbraw/zinc/57/16/55/1000571655.db2.gz SZXPDIASUYXQTQ-INIZCTEOSA-N 1 0 356.466 2.988 20 10 FFCDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000770680109 1000875372 /nfs/dbraw/zinc/87/53/72/1000875372.db2.gz DICSJYYDHHAFLJ-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC001147837386 1000986822 /nfs/dbraw/zinc/98/68/22/1000986822.db2.gz HJKFRFRPXAGTDI-HXUWFJFHSA-N 1 0 373.541 2.632 20 10 FFCDRO COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(N3CC[NH+](C)CC3)cc1)N2 ZINC000771518064 1001134228 /nfs/dbraw/zinc/13/42/28/1001134228.db2.gz MVZLLVBFAGTUCA-FQEVSTJZSA-N 1 0 366.465 2.643 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000788586149 1001827970 /nfs/dbraw/zinc/82/79/70/1001827970.db2.gz YRURJTFQJVLRSQ-LHSJRXKWSA-N 1 0 367.449 2.914 20 10 FFCDRO CC[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000788606871 1001831226 /nfs/dbraw/zinc/83/12/26/1001831226.db2.gz AJZOGJLPKDRLDE-CABCVRRESA-N 1 0 365.428 2.917 20 10 FFCDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1=O ZINC000788605828 1001831792 /nfs/dbraw/zinc/83/17/92/1001831792.db2.gz QLBXXMLPJOSBBA-HNNXBMFYSA-N 1 0 359.445 2.695 20 10 FFCDRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774481941 1001925839 /nfs/dbraw/zinc/92/58/39/1001925839.db2.gz JELHKTFZKHBXKU-LSDHHAIUSA-N 1 0 368.481 2.790 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000774486042 1001927636 /nfs/dbraw/zinc/92/76/36/1001927636.db2.gz VKPAGDUNBCGVIW-ZIAGYGMSSA-N 1 0 354.454 2.529 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]CC3(OC)CCCCC3)CC2)cc1 ZINC000790958786 1002527602 /nfs/dbraw/zinc/52/76/02/1002527602.db2.gz SEZORKYOSCCFCJ-UHFFFAOYSA-N 1 0 361.530 2.756 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]cnc3c2)[NH+](C)C)cc1 ZINC001184427359 1002612905 /nfs/dbraw/zinc/61/29/05/1002612905.db2.gz WTQGSIQBBZXQLT-LJQANCHMSA-N 1 0 351.454 2.662 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]CCCc3ccc(C)nc3)CC2)cc1 ZINC000792937329 1003240618 /nfs/dbraw/zinc/24/06/18/1003240618.db2.gz UXZUBIOIRCUPGB-UHFFFAOYSA-N 1 0 368.525 2.743 20 10 FFCDRO CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000793455557 1003386923 /nfs/dbraw/zinc/38/69/23/1003386923.db2.gz DVRPAUSYLRPQBT-DNVCBOLYSA-N 1 0 365.493 2.645 20 10 FFCDRO Cc1ccc([C@@H]2COCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000775700065 1003706503 /nfs/dbraw/zinc/70/65/03/1003706503.db2.gz FCGFKVJTSHBFBI-FQEVSTJZSA-N 1 0 355.482 2.913 20 10 FFCDRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775831406 1004527579 /nfs/dbraw/zinc/52/75/79/1004527579.db2.gz RRKPTKHZTRWBCK-IIBYNOLFSA-N 1 0 367.493 2.720 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000775834697 1004563680 /nfs/dbraw/zinc/56/36/80/1004563680.db2.gz CTUMLJFKGDVZCC-KXBFYZLASA-N 1 0 353.466 2.523 20 10 FFCDRO CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)cn1 ZINC001086661631 1004791693 /nfs/dbraw/zinc/79/16/93/1004791693.db2.gz AMJHXLPHSQQGMT-PKOBYXMFSA-N 1 0 370.497 2.908 20 10 FFCDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000105448107 1005095785 /nfs/dbraw/zinc/09/57/85/1005095785.db2.gz JJAAUMQUTNSTNE-UHFFFAOYSA-N 1 0 359.401 2.903 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000776156744 1005201611 /nfs/dbraw/zinc/20/16/11/1005201611.db2.gz MKAYMXGNNFIMHZ-FFGOWVMKSA-N 1 0 371.525 2.682 20 10 FFCDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000776245173 1005308212 /nfs/dbraw/zinc/30/82/12/1005308212.db2.gz MJBRJSIKJIJINV-KRWDZBQOSA-N 1 0 369.513 2.982 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3ccccc3)cc2F)CC1 ZINC000106506573 1005326188 /nfs/dbraw/zinc/32/61/88/1005326188.db2.gz BWLNODIJLHUYEZ-UHFFFAOYSA-N 1 0 370.472 2.967 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000007251261 1005784531 /nfs/dbraw/zinc/78/45/31/1005784531.db2.gz HSRXFPPRWVBTAN-HXUWFJFHSA-N 1 0 354.498 2.887 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)CC2 ZINC000850185452 1005793705 /nfs/dbraw/zinc/79/37/05/1005793705.db2.gz GYHMUEPFNAOKKZ-CQSZACIVSA-N 1 0 374.485 2.541 20 10 FFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850252268 1005799687 /nfs/dbraw/zinc/79/96/87/1005799687.db2.gz OXQWSPLDUQJQID-QZTJIDSGSA-N 1 0 367.486 2.608 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccccc3-n3cncn3)cc2)CC1 ZINC000850405807 1005813532 /nfs/dbraw/zinc/81/35/32/1005813532.db2.gz FTROCMSABAMASJ-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO NC(=O)CC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000850412557 1005813720 /nfs/dbraw/zinc/81/37/20/1005813720.db2.gz GMLTZGKBIKTWJJ-UHFFFAOYSA-N 1 0 363.477 2.578 20 10 FFCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406113 1005813785 /nfs/dbraw/zinc/81/37/85/1005813785.db2.gz SGCUNSAGUUUXDQ-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405796 1005813815 /nfs/dbraw/zinc/81/38/15/1005813815.db2.gz FLBHGJPTDGCBKV-UHFFFAOYSA-N 1 0 356.514 2.796 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509829 1005819635 /nfs/dbraw/zinc/81/96/35/1005819635.db2.gz SYEPSLXWVWNSKY-UZLBHIALSA-N 1 0 366.477 2.635 20 10 FFCDRO CCC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1ccccc1O ZINC000110078180 1005894799 /nfs/dbraw/zinc/89/47/99/1005894799.db2.gz UFXHOOJSNWPGRT-QGZVFWFLSA-N 1 0 370.449 2.560 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC3([NH+](C)C)CCCCC3)C2)cc1 ZINC000851938504 1005924775 /nfs/dbraw/zinc/92/47/75/1005924775.db2.gz RASAXIQPSQACOB-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[NH+]3CCC(C)CC3)C2)cc1 ZINC000852188381 1005949372 /nfs/dbraw/zinc/94/93/72/1005949372.db2.gz JFKYVDCDCCUVPB-ROUUACIJSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(C)nc(C)c3)C2)cc1 ZINC000852384880 1006000738 /nfs/dbraw/zinc/00/07/38/1006000738.db2.gz HUIUFGLGBQITQY-QGZVFWFLSA-N 1 0 354.454 2.785 20 10 FFCDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775108269 1006005798 /nfs/dbraw/zinc/00/57/98/1006005798.db2.gz DHQHMPNFUIPEKD-MRXNPFEDSA-N 1 0 360.410 2.999 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C3CCC3)CC1)cc2=O ZINC000852408495 1006011511 /nfs/dbraw/zinc/01/15/11/1006011511.db2.gz ZYZXLGGMEZRMRD-UHFFFAOYSA-N 1 0 358.442 2.624 20 10 FFCDRO CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852596397 1006096122 /nfs/dbraw/zinc/09/61/22/1006096122.db2.gz LNSYBBZLNWBWGD-HXUWFJFHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC001202486341 1006115546 /nfs/dbraw/zinc/11/55/46/1006115546.db2.gz FRWQSZXAPBLQDI-NQIIRXRSSA-N 1 0 360.498 2.651 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000852702872 1006148891 /nfs/dbraw/zinc/14/88/91/1006148891.db2.gz KGIQCVMQCFNODJ-HXUWFJFHSA-N 1 0 352.482 2.826 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3C[C@H](CO)Cc4ccccc43)cc2)CC1 ZINC000814169546 1006185277 /nfs/dbraw/zinc/18/52/77/1006185277.db2.gz IYYHZLIWCABGIW-LJQANCHMSA-N 1 0 351.494 2.610 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3c2OCO3)[NH+](C)C)cc1 ZINC001134681731 1006443581 /nfs/dbraw/zinc/44/35/81/1006443581.db2.gz DUIYHORLRRLRBJ-KRWDZBQOSA-N 1 0 355.438 2.514 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000814909606 1006463300 /nfs/dbraw/zinc/46/33/00/1006463300.db2.gz LLLHGTFDAXSGRM-WSSFADSRSA-N 1 0 359.426 2.703 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000111479077 1006487822 /nfs/dbraw/zinc/48/78/22/1006487822.db2.gz IPRTWFCJKRBDOC-PXNSSMCTSA-N 1 0 374.529 2.758 20 10 FFCDRO CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000853643396 1006491606 /nfs/dbraw/zinc/49/16/06/1006491606.db2.gz UZOHPIMQDZTLKC-IBGZPJMESA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC000853681315 1006502807 /nfs/dbraw/zinc/50/28/07/1006502807.db2.gz BVCJGABYIGTURU-PXNSSMCTSA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1cc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1N(C)C ZINC000815079644 1006509475 /nfs/dbraw/zinc/50/94/75/1006509475.db2.gz YIYMPHZQQXFBJJ-UHFFFAOYSA-N 1 0 368.481 2.598 20 10 FFCDRO Cc1noc(-c2cccnc2NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880171 1006544871 /nfs/dbraw/zinc/54/48/71/1006544871.db2.gz FFEIMNUGAPJBBJ-UHFFFAOYSA-N 1 0 364.453 2.804 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000853942377 1006594863 /nfs/dbraw/zinc/59/48/63/1006594863.db2.gz CUXYXSGAFJKPHC-WOJBJXKFSA-N 1 0 368.525 2.770 20 10 FFCDRO COC(=O)Cc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000130996343 1006644780 /nfs/dbraw/zinc/64/47/80/1006644780.db2.gz SSALKIKNUQJPOI-UHFFFAOYSA-N 1 0 368.477 2.871 20 10 FFCDRO CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000854187628 1006719006 /nfs/dbraw/zinc/71/90/06/1006719006.db2.gz OIINOMHHUDTZFB-MJGOQNOKSA-N 1 0 374.529 2.647 20 10 FFCDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230249 1006732494 /nfs/dbraw/zinc/73/24/94/1006732494.db2.gz KWHJOXMNXXHMCS-JTSKRJEESA-N 1 0 353.510 2.696 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@H](C)C1 ZINC000854299424 1006763795 /nfs/dbraw/zinc/76/37/95/1006763795.db2.gz IRWPVNOJZSTZCP-HLIPFELVSA-N 1 0 374.529 2.646 20 10 FFCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000883450487 1006797546 /nfs/dbraw/zinc/79/75/46/1006797546.db2.gz NUJHXYIAMYREBQ-HXUWFJFHSA-N 1 0 367.497 2.784 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000883534369 1006844164 /nfs/dbraw/zinc/84/41/64/1006844164.db2.gz KVCJNQHIMVAKAA-INIZCTEOSA-N 1 0 366.456 2.816 20 10 FFCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206229386 1032193928 /nfs/dbraw/zinc/19/39/28/1032193928.db2.gz JTXHWAVGLYRUQQ-KRWDZBQOSA-N 1 0 355.404 2.557 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc4ccccc4c3O)CC2)nn1 ZINC000816569596 1007121519 /nfs/dbraw/zinc/12/15/19/1007121519.db2.gz QKGCAYRJHIFAIA-UHFFFAOYSA-N 1 0 366.421 2.761 20 10 FFCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)nn1 ZINC000816570531 1007121720 /nfs/dbraw/zinc/12/17/20/1007121720.db2.gz XVXDCAQZPKTIDX-MRXNPFEDSA-N 1 0 366.421 2.761 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000816641299 1007146006 /nfs/dbraw/zinc/14/60/06/1007146006.db2.gz NUGVKWIQEIGVFM-IBGZPJMESA-N 1 0 354.450 2.724 20 10 FFCDRO Cc1ncc2n1C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC2 ZINC000816922049 1007257545 /nfs/dbraw/zinc/25/75/45/1007257545.db2.gz PTJGKEMXKGRWOS-HKUYNNGSSA-N 1 0 369.465 2.667 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1F ZINC000884205202 1007311419 /nfs/dbraw/zinc/31/14/19/1007311419.db2.gz PUIJXBDVXVZWEY-QGZVFWFLSA-N 1 0 354.429 2.559 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)c1 ZINC000775369750 1007555675 /nfs/dbraw/zinc/55/56/75/1007555675.db2.gz QMUXRNNEIQCIFD-CJNGLKHVSA-N 1 0 359.422 2.694 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000775376011 1007586366 /nfs/dbraw/zinc/58/63/66/1007586366.db2.gz RAOKMYRTWFHXRH-STQMWFEESA-N 1 0 372.421 2.850 20 10 FFCDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000817589891 1007660401 /nfs/dbraw/zinc/66/04/01/1007660401.db2.gz RABVAPBCBFQXLS-JKSUJKDBSA-N 1 0 363.477 2.571 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1ccccc1C ZINC000136125724 1007785023 /nfs/dbraw/zinc/78/50/23/1007785023.db2.gz PMOPTYFXGSEBGC-UHFFFAOYSA-N 1 0 369.509 2.979 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@](F)(C[NH3+])C2)cc1Br ZINC001206371044 1032257348 /nfs/dbraw/zinc/25/73/48/1032257348.db2.gz RGKFUPRSSHQFIT-HNNXBMFYSA-N 1 0 361.255 2.816 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000818271250 1007907661 /nfs/dbraw/zinc/90/76/61/1007907661.db2.gz BTMFYWNEEKESIC-XLIONFOSSA-N 1 0 359.514 2.935 20 10 FFCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966814 1007981560 /nfs/dbraw/zinc/98/15/60/1007981560.db2.gz OMWLGFBQLWATMK-BQFCYCMXSA-N 1 0 368.493 2.705 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114832332 1008047759 /nfs/dbraw/zinc/04/77/59/1008047759.db2.gz FHDPHQGSMRHCBS-GOSISDBHSA-N 1 0 369.465 2.865 20 10 FFCDRO C[C@@H]1CCC[N@@H+](C(C)(C)CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164070 1008053412 /nfs/dbraw/zinc/05/34/12/1008053412.db2.gz GFBFUPHGGCVPRK-OAHLLOKOSA-N 1 0 359.470 2.667 20 10 FFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164653 1008053654 /nfs/dbraw/zinc/05/36/54/1008053654.db2.gz LQXTXRUVVFCQSY-HZPDHXFCSA-N 1 0 359.470 2.524 20 10 FFCDRO Cc1ccc([C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)[NH+](C)C)cc1 ZINC000819165631 1008054386 /nfs/dbraw/zinc/05/43/86/1008054386.db2.gz YHDVQCNQNSJADZ-GOSISDBHSA-N 1 0 367.449 2.768 20 10 FFCDRO CC[NH+](CC)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccco1 ZINC000819164357 1008054453 /nfs/dbraw/zinc/05/44/53/1008054453.db2.gz HIGXJRMHRVBIJX-INIZCTEOSA-N 1 0 371.437 2.833 20 10 FFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)COc2ccccc2O1 ZINC000858208541 1008325210 /nfs/dbraw/zinc/32/52/10/1008325210.db2.gz HQQJAWBSYROXOY-NRFANRHFSA-N 1 0 372.440 2.982 20 10 FFCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCS1(=O)=O ZINC000858281139 1008339542 /nfs/dbraw/zinc/33/95/42/1008339542.db2.gz MIAKVOMCNCVSJD-OXQOHEQNSA-N 1 0 370.518 2.915 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1OC ZINC000858288840 1008340728 /nfs/dbraw/zinc/34/07/28/1008340728.db2.gz FKWRFFJYZKEDKJ-XLIONFOSSA-N 1 0 358.438 2.952 20 10 FFCDRO Cc1cc(CNC(=O)NCC[N@@H+]2CCCOCC2)c(C)n1-c1ccccc1 ZINC000858488289 1008367726 /nfs/dbraw/zinc/36/77/26/1008367726.db2.gz FIGIYMKLIFGJOO-UHFFFAOYSA-N 1 0 370.497 2.616 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000821125862 1008417727 /nfs/dbraw/zinc/41/77/27/1008417727.db2.gz UGHWMLDWEXWNNH-YOEHRIQHSA-N 1 0 355.442 2.938 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000859050560 1008469660 /nfs/dbraw/zinc/46/96/60/1008469660.db2.gz MTLSXWYATWSXIT-UHFFFAOYSA-N 1 0 353.466 2.978 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)ccc1OC ZINC001177203992 1008516174 /nfs/dbraw/zinc/51/61/74/1008516174.db2.gz KAWDZSFKPTWHIL-UHFFFAOYSA-N 1 0 371.481 2.753 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)CC1 ZINC000886325107 1008636865 /nfs/dbraw/zinc/63/68/65/1008636865.db2.gz UOTYWODVPXJFLD-UHFFFAOYSA-N 1 0 363.465 2.554 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)CC1 ZINC000886325039 1008637201 /nfs/dbraw/zinc/63/72/01/1008637201.db2.gz RDIUCFHLGYEKMP-UHFFFAOYSA-N 1 0 363.465 2.554 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000886502718 1008705372 /nfs/dbraw/zinc/70/53/72/1008705372.db2.gz LKHAOUMIXODVOV-QGZVFWFLSA-N 1 0 354.454 2.895 20 10 FFCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000860534485 1009053361 /nfs/dbraw/zinc/05/33/61/1009053361.db2.gz DLMGCZIHQCPDKQ-OAQYLSRUSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1nccnc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000823956107 1009277786 /nfs/dbraw/zinc/27/77/86/1009277786.db2.gz QIEIVDXVALQAAR-CYBMUJFWSA-N 1 0 364.396 2.845 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000861808512 1009565756 /nfs/dbraw/zinc/56/57/56/1009565756.db2.gz MHMQXBUSVNMYAO-UZLBHIALSA-N 1 0 351.450 2.683 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000862241791 1009761666 /nfs/dbraw/zinc/76/16/66/1009761666.db2.gz ZKKABCRUXNTRHP-KRWDZBQOSA-N 1 0 366.500 2.633 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)OC)[C@@H](c3ccc(O)cc3)C2)c1 ZINC000862497480 1009858561 /nfs/dbraw/zinc/85/85/61/1009858561.db2.gz WBJZTCRFDZIVNQ-MOPGFXCFSA-N 1 0 371.433 2.885 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc21 ZINC000862536058 1009867925 /nfs/dbraw/zinc/86/79/25/1009867925.db2.gz CKHVSXBJUVXLRC-OAQYLSRUSA-N 1 0 366.461 2.796 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3cnccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000119619114 1010318670 /nfs/dbraw/zinc/31/86/70/1010318670.db2.gz DQIPTOFOWMKQFP-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(C)cc1O ZINC000794801344 1010631750 /nfs/dbraw/zinc/63/17/50/1010631750.db2.gz IODTYSDCYCBPGG-YOEHRIQHSA-N 1 0 359.422 2.910 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]nc3C)C[C@H]2C)cc1C ZINC001093953915 1010725562 /nfs/dbraw/zinc/72/55/62/1010725562.db2.gz RHDFBUKWOQSRCC-RHSMWYFYSA-N 1 0 356.470 2.533 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCOCC(=O)OC(C)(C)C)CC2)cc1 ZINC000865684328 1010842669 /nfs/dbraw/zinc/84/26/69/1010842669.db2.gz UOEYVUWQGHMBLW-UHFFFAOYSA-N 1 0 364.486 2.612 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1 ZINC000865818557 1010869865 /nfs/dbraw/zinc/86/98/65/1010869865.db2.gz SBLXFWJDIWIEBU-PLNGDYQASA-N 1 0 373.522 2.506 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000122710464 1011873678 /nfs/dbraw/zinc/87/36/78/1011873678.db2.gz LMEUWHVVVSVJHW-RYRKJORJSA-N 1 0 372.513 2.509 20 10 FFCDRO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275072064 1011884742 /nfs/dbraw/zinc/88/47/42/1011884742.db2.gz AUJHWHNSTIGUHH-DYESRHJHSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2=O)cc1 ZINC001275196413 1012058539 /nfs/dbraw/zinc/05/85/39/1012058539.db2.gz ZCHZNFLCYWAVMP-OAQYLSRUSA-N 1 0 353.466 2.970 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)CC2 ZINC001172895375 1012097344 /nfs/dbraw/zinc/09/73/44/1012097344.db2.gz CCKQCOOROGOXME-DNVCBOLYSA-N 1 0 358.394 2.577 20 10 FFCDRO O=C(NCc1ccncc1)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275231849 1012111751 /nfs/dbraw/zinc/11/17/51/1012111751.db2.gz HRUOMOXFZJOABM-GOSISDBHSA-N 1 0 351.450 2.706 20 10 FFCDRO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001275238534 1012122228 /nfs/dbraw/zinc/12/22/28/1012122228.db2.gz KIBSVIHYRMLKIQ-KRWDZBQOSA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(C4CCCC4)C3)C2)c1 ZINC001275237904 1012125611 /nfs/dbraw/zinc/12/56/11/1012125611.db2.gz FHSNORQXYZFGKE-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001275237856 1012126649 /nfs/dbraw/zinc/12/66/49/1012126649.db2.gz DKMMRMVZKPMCQB-OAQYLSRUSA-N 1 0 351.450 2.863 20 10 FFCDRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275254742 1012147074 /nfs/dbraw/zinc/14/70/74/1012147074.db2.gz VRIKDUOQBQENQN-IBGZPJMESA-N 1 0 366.889 2.753 20 10 FFCDRO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001275387836 1012409256 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/nfs/dbraw/zinc/75/17/23/1018751723.db2.gz SMMCLSSUHLZKIA-IBGZPJMESA-N 1 0 356.514 2.975 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000801632998 1019190374 /nfs/dbraw/zinc/19/03/74/1019190374.db2.gz SLUGOHXDEQIZRL-UHFFFAOYSA-N 1 0 359.474 2.985 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000802142257 1019801414 /nfs/dbraw/zinc/80/14/14/1019801414.db2.gz SZBMNCIWTPLIDP-SFHVURJKSA-N 1 0 363.502 2.815 20 10 FFCDRO CCn1cnc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000902445515 1020208542 /nfs/dbraw/zinc/20/85/42/1020208542.db2.gz MJKDLPYAFQMQPH-UHFFFAOYSA-N 1 0 353.514 2.725 20 10 FFCDRO CCC1(C)CC[NH+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000725804170 1020263615 /nfs/dbraw/zinc/26/36/15/1020263615.db2.gz JIFKYWSGWRXIAT-UHFFFAOYSA-N 1 0 359.514 2.856 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)OCO2 ZINC000725850132 1020269777 /nfs/dbraw/zinc/26/97/77/1020269777.db2.gz MEQSABNMNVFHRT-AWEZNQCLSA-N 1 0 371.311 2.843 20 10 FFCDRO COCC[C@H]1CCC[C@H]1[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000800474279 1020343328 /nfs/dbraw/zinc/34/33/28/1020343328.db2.gz HVMYBGMCSOCGIM-WIYYLYMNSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000726706185 1020510142 /nfs/dbraw/zinc/51/01/42/1020510142.db2.gz CPDZHNQSXWHLGH-PMACEKPBSA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000726709121 1020511882 /nfs/dbraw/zinc/51/18/82/1020511882.db2.gz QWQOJLMYJAQRLX-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217976756 1032929637 /nfs/dbraw/zinc/92/96/37/1032929637.db2.gz LKKJPVMHMCPZNZ-HOCLYGCPSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@H](Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218007624 1032947736 /nfs/dbraw/zinc/94/77/36/1032947736.db2.gz XBVPIROPGQLTLU-NSHDSACASA-N 1 0 367.401 2.640 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3CC[NH2+]CC[C@H]3F)cccc21 ZINC001218012243 1032952619 /nfs/dbraw/zinc/95/26/19/1032952619.db2.gz IRLOXJQFPMBBPL-UKRRQHHQSA-N 1 0 355.365 2.637 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218016819 1032954520 /nfs/dbraw/zinc/95/45/20/1032954520.db2.gz GMMQBEYRXSVZOE-GOEBONIOSA-N 1 0 369.392 2.945 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+]CC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218020520 1032956318 /nfs/dbraw/zinc/95/63/18/1032956318.db2.gz UAUCIVSIKYOUGP-CVEARBPZSA-N 1 0 369.392 2.940 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)ccc1OCC(N)=O ZINC001116584393 1021295282 /nfs/dbraw/zinc/29/52/82/1021295282.db2.gz FGJLXIZPGKIXSN-DZGCQCFKSA-N 1 0 370.449 2.911 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(n2cccn2)CC1 ZINC000934940977 1021478087 /nfs/dbraw/zinc/47/80/87/1021478087.db2.gz TYQCWZDXYORCAA-MRXNPFEDSA-N 1 0 374.872 2.512 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccccc1O ZINC000155562757 1022266025 /nfs/dbraw/zinc/26/60/25/1022266025.db2.gz QVWMKEVWSBHEGO-OXQOHEQNSA-N 1 0 353.422 2.688 20 10 FFCDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC001118640885 1022332545 /nfs/dbraw/zinc/33/25/45/1022332545.db2.gz VFQQNTBKZNZIPP-HIFRSBDPSA-N 1 0 366.259 2.898 20 10 FFCDRO CCOc1ccc(-n2c(C)cc(C(=O)CN3CC[C@@H](CO)C3)c2C)cc1 ZINC000156217075 1022344362 /nfs/dbraw/zinc/34/43/62/1022344362.db2.gz CFOGUAGQNMPXSS-QGZVFWFLSA-N 1 0 356.466 2.990 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000724959421 1022773377 /nfs/dbraw/zinc/77/33/77/1022773377.db2.gz LPXASLRJQXEGNN-SFHVURJKSA-N 1 0 361.486 2.622 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276780027 1033089077 /nfs/dbraw/zinc/08/90/77/1033089077.db2.gz JCLBPLOYWWNRES-VLIAUNLRSA-N 1 0 362.470 2.807 20 10 FFCDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001119935963 1023170573 /nfs/dbraw/zinc/17/05/73/1023170573.db2.gz LHNVHNZWABZSCX-GOEBONIOSA-N 1 0 364.486 2.926 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)[NH+](C)C)cc1 ZINC001122328847 1023192204 /nfs/dbraw/zinc/19/22/04/1023192204.db2.gz XGJGOVPMNDSJQY-NHCUHLMSSA-N 1 0 366.509 2.706 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3ccc(N(C)C)cc3)C2)nc1 ZINC000753741318 1023373818 /nfs/dbraw/zinc/37/38/18/1023373818.db2.gz JXRLEPDFGSVWPO-HNNXBMFYSA-N 1 0 368.481 2.864 20 10 FFCDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000754123182 1023428246 /nfs/dbraw/zinc/42/82/46/1023428246.db2.gz QNBTUNGMVGAXNE-DOTOQJQBSA-N 1 0 355.461 2.688 20 10 FFCDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc3nonc32)CC1 ZINC000755100140 1023564179 /nfs/dbraw/zinc/56/41/79/1023564179.db2.gz PFLZKYWZHWWGFB-UHFFFAOYSA-N 1 0 372.450 2.512 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756391930 1023704271 /nfs/dbraw/zinc/70/42/71/1023704271.db2.gz HYLORJFHZQTHKE-CYBMUJFWSA-N 1 0 362.424 2.668 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756400063 1023705256 /nfs/dbraw/zinc/70/52/56/1023705256.db2.gz APISBRRWEFZPEL-CJNGLKHVSA-N 1 0 363.477 2.660 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000756482919 1023717720 /nfs/dbraw/zinc/71/77/20/1023717720.db2.gz LBCUWBLPVZYGKL-OAGGEKHMSA-N 1 0 364.486 2.719 20 10 FFCDRO COc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)ccc1OCC(N)=O ZINC000756481902 1023717866 /nfs/dbraw/zinc/71/78/66/1023717866.db2.gz FEVDMALJDDSJPK-FZMZJTMJSA-N 1 0 374.412 2.742 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000756526040 1023722747 /nfs/dbraw/zinc/72/27/47/1023722747.db2.gz RTIIAZSIIBFSHA-RBZFPXEDSA-N 1 0 353.422 2.606 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)ccc1O ZINC000756524449 1023722804 /nfs/dbraw/zinc/72/28/04/1023722804.db2.gz JEQQNPQJLOGCER-NSPYISDASA-N 1 0 373.840 2.951 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2COc3cc(OC)ccc3C2)c1 ZINC000756776083 1023753678 /nfs/dbraw/zinc/75/36/78/1023753678.db2.gz WFMIBZIXDHQHAE-SWLSCSKDSA-N 1 0 357.406 2.842 20 10 FFCDRO CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)O1 ZINC000756931543 1023770853 /nfs/dbraw/zinc/77/08/53/1023770853.db2.gz JOKOLKMIBKGGOW-LPHOPBHVSA-N 1 0 363.477 2.541 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnn(C(C)C)c3)cc2F)CC1 ZINC000191320502 1023794323 /nfs/dbraw/zinc/79/43/23/1023794323.db2.gz LBGRYIGKZGQBSF-UHFFFAOYSA-N 1 0 373.476 2.675 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000191434789 1023823497 /nfs/dbraw/zinc/82/34/97/1023823497.db2.gz FOOMTZGRQTVRSG-KRWDZBQOSA-N 1 0 369.339 2.831 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CN(C)Cc3ccccc32)cc1F ZINC000757635600 1023840177 /nfs/dbraw/zinc/84/01/77/1023840177.db2.gz VQFHMZGCAOXXNY-GOSISDBHSA-N 1 0 356.445 2.878 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4c(O)cccc4F)CC[N@@H+]3C2)n1 ZINC001137834402 1033168858 /nfs/dbraw/zinc/16/88/58/1033168858.db2.gz FKFOPJFQUXKFKY-MSOLQXFVSA-N 1 0 371.456 2.710 20 10 FFCDRO Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n(C2CC[NH+](C)CC2)n1 ZINC000779527234 1023957133 /nfs/dbraw/zinc/95/71/33/1023957133.db2.gz DKNSMHOJJMCHJQ-XQRVVYSFSA-N 1 0 356.426 2.521 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC001121990521 1024243140 /nfs/dbraw/zinc/24/31/40/1024243140.db2.gz FTQJPCJCKQDPII-KKBFJZEXSA-N 1 0 363.477 2.573 20 10 FFCDRO Nc1ccc(CC(=O)N[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC001122140050 1024377935 /nfs/dbraw/zinc/37/79/35/1024377935.db2.gz XXKVJTGWAAEVNC-GOSISDBHSA-N 1 0 351.450 2.574 20 10 FFCDRO CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000758974438 1024406232 /nfs/dbraw/zinc/40/62/32/1024406232.db2.gz ZNDRRQHTRAURDO-WIYYLYMNSA-N 1 0 368.477 2.914 20 10 FFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141140380 1025506986 /nfs/dbraw/zinc/50/69/86/1025506986.db2.gz FHENRKLTMBANHE-UHFFFAOYSA-N 1 0 369.513 2.568 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC(C)(C(=O)N4CCCC4)CC3)ccc21 ZINC001141143492 1025517285 /nfs/dbraw/zinc/51/72/85/1025517285.db2.gz AXUGYFAKBFGMCE-UHFFFAOYSA-N 1 0 357.498 2.740 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](N4Cc5ccccc5C4=O)C3)ccc21 ZINC001141146199 1025523622 /nfs/dbraw/zinc/52/36/22/1025523622.db2.gz ODVMFYRWQWBOJL-SFHVURJKSA-N 1 0 363.461 2.746 20 10 FFCDRO O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001141159703 1025542527 /nfs/dbraw/zinc/54/25/27/1025542527.db2.gz INLFLWHZFDRFEL-NRFANRHFSA-N 1 0 367.449 2.650 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159712 1025543230 /nfs/dbraw/zinc/54/32/30/1025543230.db2.gz ISMZGGVKGVAWPN-GOSISDBHSA-N 1 0 352.434 2.594 20 10 FFCDRO CC(C)(C)c1cc(C[NH2+]C[C@H](O)Cn2ccnn2)c(O)c(C(C)(C)C)c1 ZINC000839178660 1026612565 /nfs/dbraw/zinc/61/25/65/1026612565.db2.gz HATQROHAKIZTAO-INIZCTEOSA-N 1 0 360.502 2.729 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000839562688 1026734494 /nfs/dbraw/zinc/73/44/94/1026734494.db2.gz ANSNFBDINRFHEV-AWEZNQCLSA-N 1 0 354.454 2.531 20 10 FFCDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CCCC1 ZINC000839616134 1026758931 /nfs/dbraw/zinc/75/89/31/1026758931.db2.gz PADWMQKLESMOIT-HXUWFJFHSA-N 1 0 361.530 2.536 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000839634127 1026766949 /nfs/dbraw/zinc/76/69/49/1026766949.db2.gz SQAJKVSKIJMEKK-NHCUHLMSSA-N 1 0 367.493 2.519 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC12COC2 ZINC000840100311 1026955969 /nfs/dbraw/zinc/95/59/69/1026955969.db2.gz WPUNOJZYGCFSHL-SFHVURJKSA-N 1 0 371.433 2.566 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000840322845 1027048102 /nfs/dbraw/zinc/04/81/02/1027048102.db2.gz UIVIDLFPPWDIEQ-BQFCYCMXSA-N 1 0 358.530 2.916 20 10 FFCDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(C)ccc3O)CC2)nc1 ZINC000092644094 1027388921 /nfs/dbraw/zinc/38/89/21/1027388921.db2.gz DLHAZJZCPCXYEQ-UHFFFAOYSA-N 1 0 369.465 2.985 20 10 FFCDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092710282 1027414563 /nfs/dbraw/zinc/41/45/63/1027414563.db2.gz WGBPNAZWBWXIMA-IBGZPJMESA-N 1 0 359.514 2.652 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CCN(c2ccccc2)CC1 ZINC000097497847 1027444236 /nfs/dbraw/zinc/44/42/36/1027444236.db2.gz PXVDWZGZONGVSA-SFHVURJKSA-N 1 0 351.494 2.922 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424702 1028164498 /nfs/dbraw/zinc/16/44/98/1028164498.db2.gz LPUKWFAPUOQRLK-VQHVLOKHSA-N 1 0 352.434 2.892 20 10 FFCDRO CC(C)C[C@@](C)([NH3+])C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534335 1028218398 /nfs/dbraw/zinc/21/83/98/1028218398.db2.gz JLXJPWOKQBYVHW-QGZVFWFLSA-N 1 0 373.419 2.997 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2C)cc1C ZINC001103971481 1028433518 /nfs/dbraw/zinc/43/35/18/1028433518.db2.gz IFXVVXXLAKXXEM-SJLPKXTDSA-N 1 0 370.497 2.625 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(OC)nc3)CC2)cc1 ZINC001164330510 1029247121 /nfs/dbraw/zinc/24/71/21/1029247121.db2.gz WRHQHJOFDCEOCY-UHFFFAOYSA-N 1 0 356.470 2.723 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccnc4nc[nH]c43)CC2)cc1 ZINC001164333727 1029249337 /nfs/dbraw/zinc/24/93/37/1029249337.db2.gz DNHOTBVPZYOTJF-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO CCOC(=O)c1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156650637 1029286296 /nfs/dbraw/zinc/28/62/96/1029286296.db2.gz AUDJNPWOEXEGPD-UHFFFAOYSA-N 1 0 354.454 2.622 20 10 FFCDRO C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000782562175 1029746675 /nfs/dbraw/zinc/74/66/75/1029746675.db2.gz KROOZWPOKXGGGY-QGZVFWFLSA-N 1 0 374.529 2.710 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000782783649 1029818157 /nfs/dbraw/zinc/81/81/57/1029818157.db2.gz JXOQQMRKFZPLPC-UHFFFAOYSA-N 1 0 372.517 2.953 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000840928425 1029929042 /nfs/dbraw/zinc/92/90/42/1029929042.db2.gz SMLTYVIQQUXPDR-UHFFFAOYSA-N 1 0 367.493 2.823 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000840976172 1029956791 /nfs/dbraw/zinc/95/67/91/1029956791.db2.gz MUPPQGJGLTVWQZ-KRWDZBQOSA-N 1 0 364.497 2.817 20 10 FFCDRO COc1cc(OC)c(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000841040486 1029995618 /nfs/dbraw/zinc/99/56/18/1029995618.db2.gz NFLZSJRDZSTGRB-GOSISDBHSA-N 1 0 359.470 2.568 20 10 FFCDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841046185 1030000127 /nfs/dbraw/zinc/00/01/27/1030000127.db2.gz XMWWPAJYONQTEW-MGPUTAFESA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045389 1030000701 /nfs/dbraw/zinc/00/07/01/1030000701.db2.gz KQNWGJSRQGGADX-IFXJQAMLSA-N 1 0 358.461 2.898 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000841103471 1030040117 /nfs/dbraw/zinc/04/01/17/1030040117.db2.gz WPHMADVDJYYWSN-AWEZNQCLSA-N 1 0 355.438 2.789 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000841150162 1030074853 /nfs/dbraw/zinc/07/48/53/1030074853.db2.gz QVWIGXCYHGJDJG-UHFFFAOYSA-N 1 0 352.438 2.832 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3ccccc3O)CC2)cc1 ZINC000783504718 1030127868 /nfs/dbraw/zinc/12/78/68/1030127868.db2.gz JQECIRKFRIKPAS-KRWDZBQOSA-N 1 0 355.482 2.874 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)cc2)CC1 ZINC000783598741 1030174045 /nfs/dbraw/zinc/17/40/45/1030174045.db2.gz VSPKBRDRUKPZSB-OAQYLSRUSA-N 1 0 350.510 2.898 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841329232 1030201617 /nfs/dbraw/zinc/20/16/17/1030201617.db2.gz WVZOAMKKIIHJEY-UHFFFAOYSA-N 1 0 364.449 2.867 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841330446 1030202930 /nfs/dbraw/zinc/20/29/30/1030202930.db2.gz CWCADZKUTFUHCJ-UHFFFAOYSA-N 1 0 366.465 2.790 20 10 FFCDRO Nc1nccc(N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)n1 ZINC001166128781 1030266751 /nfs/dbraw/zinc/26/67/51/1030266751.db2.gz DDJULUYWEJVQMB-UHFFFAOYSA-N 1 0 358.449 2.894 20 10 FFCDRO CCc1ccc([C@H](CNC(=O)NCCc2ccc(N)cc2)[NH+](C)C)cc1 ZINC000841636432 1030380390 /nfs/dbraw/zinc/38/03/90/1030380390.db2.gz MTSWEGCJTLDOLK-FQEVSTJZSA-N 1 0 354.498 2.976 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841706359 1030417492 /nfs/dbraw/zinc/41/74/92/1030417492.db2.gz DJEAPOOXIXJROD-FQEVSTJZSA-N 1 0 374.554 2.525 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000841717922 1030427296 /nfs/dbraw/zinc/42/72/96/1030427296.db2.gz OHOVTFIIQXJUOM-UXHICEINSA-N 1 0 374.529 2.571 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1F ZINC000841759510 1030446536 /nfs/dbraw/zinc/44/65/36/1030446536.db2.gz GSFIUNBOBBXTOB-SFHVURJKSA-N 1 0 356.445 2.578 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841779229 1030460899 /nfs/dbraw/zinc/46/08/99/1030460899.db2.gz OAOASZCKUBHJIL-FQEVSTJZSA-N 1 0 374.529 2.871 20 10 FFCDRO COc1ncc(/C=C/C(=O)N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c(OC)n1 ZINC001142454035 1030476659 /nfs/dbraw/zinc/47/66/59/1030476659.db2.gz WFWCZWCAIFGLHF-MNDMWVCDSA-N 1 0 368.437 2.642 20 10 FFCDRO CC(C)(C)OC(=O)CNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000784156740 1030486359 /nfs/dbraw/zinc/48/63/59/1030486359.db2.gz FHTCPJXRNPMSMC-UHFFFAOYSA-N 1 0 362.470 2.595 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000841855972 1030506240 /nfs/dbraw/zinc/50/62/40/1030506240.db2.gz KPPRWKULUJUJSP-MAUKXSAKSA-N 1 0 370.522 2.920 20 10 FFCDRO [NH3+]CCc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841927993 1030547568 /nfs/dbraw/zinc/54/75/68/1030547568.db2.gz PZACAONXSQZOLY-UHFFFAOYSA-N 1 0 353.466 2.772 20 10 FFCDRO COc1ccc([C@@H](C[NH3+])CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000842473297 1030747786 /nfs/dbraw/zinc/74/77/86/1030747786.db2.gz TVSYEUOWMYSTJJ-HNNXBMFYSA-N 1 0 360.454 2.900 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001203552978 1030762678 /nfs/dbraw/zinc/76/26/78/1030762678.db2.gz XHRAQZYRJNFIOM-SFHLNBCPSA-N 1 0 361.482 2.957 20 10 FFCDRO O=C(C[C@@H]1OC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21)NCc1ccco1 ZINC001203556385 1030765246 /nfs/dbraw/zinc/76/52/46/1030765246.db2.gz OFMXZHNVTVLQNS-POAQFYNOSA-N 1 0 370.449 2.529 20 10 FFCDRO CCOC[C@H]1CN(Cc2cccc(OC)c2O)Cc2nnn(CC3CC3)c21 ZINC001203590037 1030773617 /nfs/dbraw/zinc/77/36/17/1030773617.db2.gz RMJYBYUIMYFBNI-MRXNPFEDSA-N 1 0 372.469 2.538 20 10 FFCDRO COc1cccc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1O ZINC001203592702 1030774348 /nfs/dbraw/zinc/77/43/48/1030774348.db2.gz WQARDHZGJNJAFN-INIZCTEOSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c1O ZINC001203592422 1030775643 /nfs/dbraw/zinc/77/56/43/1030775643.db2.gz FIKPSWWSXGSRKE-IBGZPJMESA-N 1 0 352.434 2.854 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(C)N(CC)C4=O)C2)c1O ZINC001203607848 1030782655 /nfs/dbraw/zinc/78/26/55/1030782655.db2.gz BGJPILCYCAQKKS-LDBYXDLTSA-N 1 0 371.481 2.652 20 10 FFCDRO CCOc1cccc(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)c1O ZINC001203607853 1030784579 /nfs/dbraw/zinc/78/45/79/1030784579.db2.gz BKOOOMZFPBFCEP-UHFFFAOYSA-N 1 0 356.470 2.599 20 10 FFCDRO COC[C@H]1CN(Cc2ccc(OC)cc2O)Cc2nn(CC3CC3)cc21 ZINC001203622102 1030788427 /nfs/dbraw/zinc/78/84/27/1030788427.db2.gz OZBFYLQLXSCLAB-MRXNPFEDSA-N 1 0 357.454 2.753 20 10 FFCDRO CCN1CC[C@]2(CCC[N@H+](Cc3cc(Br)ccc3O)C2)C1=O ZINC001203642803 1030802335 /nfs/dbraw/zinc/80/23/35/1030802335.db2.gz KXNOMBLEDLFQSD-KRWDZBQOSA-N 1 0 367.287 2.989 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001203648428 1030806245 /nfs/dbraw/zinc/80/62/45/1030806245.db2.gz LCUYTLFNRUHSFL-CQSZACIVSA-N 1 0 364.243 2.988 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657318 1030809777 /nfs/dbraw/zinc/80/97/77/1030809777.db2.gz CNEZORMYQJONHH-KRWDZBQOSA-N 1 0 372.918 2.826 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001203671516 1030818762 /nfs/dbraw/zinc/81/87/62/1030818762.db2.gz QCGDIZZRMJTTNK-MRXNPFEDSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c1 ZINC001203673192 1030820260 /nfs/dbraw/zinc/82/02/60/1030820260.db2.gz QLSXSBFVJAFFHI-RTBURBONSA-N 1 0 367.449 2.561 20 10 FFCDRO Oc1ccc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)cc1O ZINC001203876888 1030949911 /nfs/dbraw/zinc/94/99/11/1030949911.db2.gz LIONHZXZLSNGLP-FRQCXROJSA-N 1 0 356.422 2.551 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877670 1030951919 /nfs/dbraw/zinc/95/19/19/1030951919.db2.gz VVNXMIHAONEUSQ-OAQYLSRUSA-N 1 0 367.449 2.508 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)NC3CCCC3)C[C@H]3OCC[C@H]32)cc1 ZINC001203930753 1030991375 /nfs/dbraw/zinc/99/13/75/1030991375.db2.gz HMSWBSRDTSXYNO-IOMROCGXSA-N 1 0 371.525 2.791 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(CCN(CCOC)C3=O)CC2)cc1 ZINC001203940109 1030996562 /nfs/dbraw/zinc/99/65/62/1030996562.db2.gz VATPJTYTTWKHEM-UHFFFAOYSA-N 1 0 373.541 2.994 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)cc1 ZINC001203938906 1030997452 /nfs/dbraw/zinc/99/74/52/1030997452.db2.gz KKGYAIZDPRVCCB-NRSPTQNISA-N 1 0 373.541 2.752 20 10 FFCDRO CN1Cc2ccccc2CC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001204273495 1031198249 /nfs/dbraw/zinc/19/82/49/1031198249.db2.gz CNKHJODAMDYCTN-UHFFFAOYSA-N 1 0 366.461 2.895 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c(O)c1 ZINC001204274450 1031200651 /nfs/dbraw/zinc/20/06/51/1031200651.db2.gz BCIDUBQNHBTEIY-YLJYHZDGSA-N 1 0 356.422 2.695 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c(O)c1 ZINC001204274168 1031201602 /nfs/dbraw/zinc/20/16/02/1031201602.db2.gz KIXMZULHLKSMOT-RTWAWAEBSA-N 1 0 368.477 2.616 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274874 1031201935 /nfs/dbraw/zinc/20/19/35/1031201935.db2.gz VARANODSQRVPFL-NRFANRHFSA-N 1 0 367.449 2.508 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204279645 1031203998 /nfs/dbraw/zinc/20/39/98/1031203998.db2.gz DOMGESIIFZTKMQ-UHFFFAOYSA-N 1 0 356.422 2.597 20 10 FFCDRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1)N1CCOCC1 ZINC001204326928 1031230119 /nfs/dbraw/zinc/23/01/19/1031230119.db2.gz IXMQRFNVVWXOPS-FQEVSTJZSA-N 1 0 357.498 2.500 20 10 FFCDRO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cccc(C(C)(C)C)c1O)CCO2 ZINC001143108054 1031238851 /nfs/dbraw/zinc/23/88/51/1031238851.db2.gz HPHVVPFTDQBWCH-OAQYLSRUSA-N 1 0 360.498 2.903 20 10 FFCDRO COc1cc(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc(O)c1O ZINC001204349434 1031246009 /nfs/dbraw/zinc/24/60/09/1031246009.db2.gz UJNROCTUWCNKGI-RTBURBONSA-N 1 0 368.477 2.979 20 10 FFCDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349666 1031343497 /nfs/dbraw/zinc/34/34/97/1031343497.db2.gz HZLHKVFHJNTAOB-UHFFFAOYSA-N 1 0 354.410 2.753 20 10 FFCDRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc4c(c3)CCN4Cc3ccccc3)C2)C1 ZINC000843423202 1031394347 /nfs/dbraw/zinc/39/43/47/1031394347.db2.gz AGBOEGMGLUIHBK-JOCHJYFZSA-N 1 0 363.505 2.500 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000843485184 1031423590 /nfs/dbraw/zinc/42/35/90/1031423590.db2.gz OPPAQIGRUGALOD-APWZRJJASA-N 1 0 354.450 2.861 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000843507057 1031434678 /nfs/dbraw/zinc/43/46/78/1031434678.db2.gz OYKZFUKQCGGTAH-IFXJQAMLSA-N 1 0 373.884 2.991 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799191901 1031688107 /nfs/dbraw/zinc/68/81/07/1031688107.db2.gz VDBPHJQREOVFBD-GOSISDBHSA-N 1 0 352.482 2.596 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(O)c1 ZINC000799715185 1031863435 /nfs/dbraw/zinc/86/34/35/1031863435.db2.gz MSILUWHWYUMZGZ-YJBOKZPZSA-N 1 0 353.466 2.945 20 10 FFCDRO COC1CCN(c2ccc(CN3CCOC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000829708992 1033298260 /nfs/dbraw/zinc/29/82/60/1033298260.db2.gz VNEFOQNTPPOMAB-LEWJYISDSA-N 1 0 360.498 2.682 20 10 FFCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)cc1 ZINC001218954885 1033424884 /nfs/dbraw/zinc/42/48/84/1033424884.db2.gz GUOMKTBZYIKFIB-FFZOFVMBSA-N 1 0 351.450 2.569 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)CNCCC[NH3+])cc2)cc1 ZINC001219203881 1033553194 /nfs/dbraw/zinc/55/31/94/1033553194.db2.gz PMIHSORJZQFYNT-SNAWJCMRSA-N 1 0 352.482 2.800 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@]3(N)CCC[NH2+]C3)cc2)cc1 ZINC001219203359 1033553420 /nfs/dbraw/zinc/55/34/20/1033553420.db2.gz GDHHCDARYJIOBS-ZDUIWUOISA-N 1 0 364.493 2.942 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830532081 1033658479 /nfs/dbraw/zinc/65/84/79/1033658479.db2.gz SEJOLYHDWVZKHB-LJQANCHMSA-N 1 0 368.477 2.711 20 10 FFCDRO Nc1ccc(N(C(=O)[C@H]2COC[C@H]2[NH3+])c2ccc3ccccc3c2N)cc1 ZINC001219476559 1033662991 /nfs/dbraw/zinc/66/29/91/1033662991.db2.gz DJRJFYPTZLEKHW-ZWKOTPCHSA-N 1 0 362.433 2.643 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1cccn1C1CC[NH2+]CC1 ZINC000830597984 1033703122 /nfs/dbraw/zinc/70/31/22/1033703122.db2.gz XZYUTHAHEXWWIP-UHFFFAOYSA-N 1 0 353.466 2.927 20 10 FFCDRO CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](C)[NH3+] ZINC000830659541 1033729283 /nfs/dbraw/zinc/72/92/83/1033729283.db2.gz XVGRYKMOIKQUEV-CPUCHLNUSA-N 1 0 369.456 2.992 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3c(C)n(C)c4ccccc43)CC[C@@H]21 ZINC001138253898 1034022239 /nfs/dbraw/zinc/02/22/39/1034022239.db2.gz KBYDDNBRHMRUIR-SFTDATJTSA-N 1 0 355.482 2.698 20 10 FFCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337428 1034167893 /nfs/dbraw/zinc/16/78/93/1034167893.db2.gz OZDPXSPZERZAOT-UHFFFAOYSA-N 1 0 371.525 2.828 20 10 FFCDRO O=C(C1CCC1)N1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339463 1034170564 /nfs/dbraw/zinc/17/05/64/1034170564.db2.gz FZLICSAEYJBIOQ-UHFFFAOYSA-N 1 0 369.509 2.535 20 10 FFCDRO COCCCC[NH+]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340816 1034172497 /nfs/dbraw/zinc/17/24/97/1034172497.db2.gz CJCHUFAONWNSGJ-UHFFFAOYSA-N 1 0 373.541 2.635 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)C1=O ZINC001138355914 1034192982 /nfs/dbraw/zinc/19/29/82/1034192982.db2.gz BVCZUTMNKPIFSQ-QFIPXVFZSA-N 1 0 371.525 2.530 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](NC(=O)c4ccccn4)C3)ccc21 ZINC001138359220 1034195251 /nfs/dbraw/zinc/19/52/51/1034195251.db2.gz NYOFJUCKUZNGDS-LJQANCHMSA-N 1 0 364.493 2.858 20 10 FFCDRO CC[C@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@]12CCC(=O)N2 ZINC001138496804 1034335287 /nfs/dbraw/zinc/33/52/87/1034335287.db2.gz VMWDXJIRLVOQAK-CTNGQTDRSA-N 1 0 357.498 2.546 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC001221281851 1034642665 /nfs/dbraw/zinc/64/26/65/1034642665.db2.gz FFUCPIANENLLGV-RXVVDRJESA-N 1 0 366.509 2.994 20 10 FFCDRO COc1ccc(C[C@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265940 1034685945 /nfs/dbraw/zinc/68/59/45/1034685945.db2.gz BZZNGJBJINSPFW-YWZLYKJASA-N 1 0 355.482 2.756 20 10 FFCDRO CCOc1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832279868 1034696962 /nfs/dbraw/zinc/69/69/62/1034696962.db2.gz MCZBJHWEFDBGEA-FQEVSTJZSA-N 1 0 355.482 2.900 20 10 FFCDRO Oc1c(O)c(O)c(O[C@@H]2CCN(Cc3ccccc3Cl)C2)c(O)c1O ZINC001226468979 1034698322 /nfs/dbraw/zinc/69/83/22/1034698322.db2.gz QKOBTKUTVYCGBA-SNVBAGLBSA-N 1 0 367.785 2.521 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000832292992 1034706714 /nfs/dbraw/zinc/70/67/14/1034706714.db2.gz OSTSGOFVSPJJDU-QAPCUYQASA-N 1 0 373.884 2.773 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000832292566 1034708439 /nfs/dbraw/zinc/70/84/39/1034708439.db2.gz JEBZKXJHZOJLHN-NRFANRHFSA-N 1 0 351.494 2.990 20 10 FFCDRO COc1cc(CN(Cc2cocn2)Cc2cocn2)cc(C[NH+](C)C)c1O ZINC001139259010 1035031389 /nfs/dbraw/zinc/03/13/89/1035031389.db2.gz DRTMJLNQQBPWOE-UHFFFAOYSA-N 1 0 372.425 2.641 20 10 FFCDRO COc1cc(CN2CCc3cnc(C4CC4)nc3C2)cc(C[NH+](C)C)c1O ZINC001139261137 1035032724 /nfs/dbraw/zinc/03/27/24/1035032724.db2.gz VJVOQJKNIRYNMK-UHFFFAOYSA-N 1 0 368.481 2.688 20 10 FFCDRO Cc1nc([C@@H]2COCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC001139407604 1035092344 /nfs/dbraw/zinc/09/23/44/1035092344.db2.gz IJNUYPKZCYHKCI-FQEVSTJZSA-N 1 0 372.538 2.777 20 10 FFCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC001139413713 1035096509 /nfs/dbraw/zinc/09/65/09/1035096509.db2.gz YDKBEKYMKANNFV-SFHVURJKSA-N 1 0 369.513 2.763 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCN(CCNC(=O)OC(C)(C)C)CC2)c1O ZINC001140178505 1035369192 /nfs/dbraw/zinc/36/91/92/1035369192.db2.gz MYSIHWXSEYOFMP-UHFFFAOYSA-N 1 0 363.502 2.651 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c1O ZINC001140184032 1035371420 /nfs/dbraw/zinc/37/14/20/1035371420.db2.gz KPSAJWGCEQJZEY-UHFFFAOYSA-N 1 0 364.449 2.951 20 10 FFCDRO CCOC(=O)[C@@H]1CCCCN1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304699 1035426157 /nfs/dbraw/zinc/42/61/57/1035426157.db2.gz YRTYEKIYEYYJMR-FQEVSTJZSA-N 1 0 359.514 2.746 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@@H](c4ccncc4)C3)cc2)CC1 ZINC001140306432 1035428294 /nfs/dbraw/zinc/42/82/94/1035428294.db2.gz RVHWKOBYWCZBGA-JOCHJYFZSA-N 1 0 366.509 2.797 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3c3cccnc3)cc2)CC1 ZINC001140306752 1035428330 /nfs/dbraw/zinc/42/83/30/1035428330.db2.gz WNRJBKKWVXQPML-JOCHJYFZSA-N 1 0 366.509 2.797 20 10 FFCDRO COC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1c(O)cccc1Cl ZINC001140341705 1035444457 /nfs/dbraw/zinc/44/44/57/1035444457.db2.gz DFIPJGUQHLVORP-GOSISDBHSA-N 1 0 374.868 2.905 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341839 1035444548 /nfs/dbraw/zinc/44/45/48/1035444548.db2.gz JQAZLUGTCCSIFL-ZDUSSCGKSA-N 1 0 354.878 2.941 20 10 FFCDRO O=C(NCc1cccnc1)[C@@H]1C[C@@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345542 1035447089 /nfs/dbraw/zinc/44/70/89/1035447089.db2.gz WERWCBCEXKECSB-OXJNMPFZSA-N 1 0 371.868 2.969 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1 ZINC000835037124 1035491682 /nfs/dbraw/zinc/49/16/82/1035491682.db2.gz OWLYOBPKBYGGIJ-XQRVVYSFSA-N 1 0 353.466 2.881 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC1 ZINC001232201872 1035498076 /nfs/dbraw/zinc/49/80/76/1035498076.db2.gz OHUWGCZNMQTTSU-UHFFFAOYSA-N 1 0 352.862 2.704 20 10 FFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203259 1035499075 /nfs/dbraw/zinc/49/90/75/1035499075.db2.gz RHGYJJBYBOVUPV-HOCLYGCPSA-N 1 0 366.889 2.808 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000835067946 1035503891 /nfs/dbraw/zinc/50/38/91/1035503891.db2.gz XNUKAIJPXPJKOP-MRXNPFEDSA-N 1 0 366.458 2.516 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(C2)COCC(=O)N3CC2CCCC2)c(O)c1 ZINC001277204722 1035527692 /nfs/dbraw/zinc/52/76/92/1035527692.db2.gz VEBRYQIATCMNKZ-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c(O)c1 ZINC001277204652 1035527792 /nfs/dbraw/zinc/52/77/92/1035527792.db2.gz SESQSGKNUAJATK-OAQYLSRUSA-N 1 0 360.498 2.716 20 10 FFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)CC[C@@H]21 ZINC001232260360 1035531285 /nfs/dbraw/zinc/53/12/85/1035531285.db2.gz WBYQMCBLFXTWPN-DOMZBBRYSA-N 1 0 352.862 2.830 20 10 FFCDRO CCN(CC)C(=O)NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232264082 1035536269 /nfs/dbraw/zinc/53/62/69/1035536269.db2.gz ZACUBHUNMIEUPU-UHFFFAOYSA-N 1 0 355.866 2.767 20 10 FFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232264993 1035536429 /nfs/dbraw/zinc/53/64/29/1035536429.db2.gz MUKQEKXUCYHOPB-LBPRGKRZSA-N 1 0 365.817 2.593 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001277212141 1035568676 /nfs/dbraw/zinc/56/86/76/1035568676.db2.gz DSJUJXNNZROCBK-IERDGZPVSA-N 1 0 359.514 2.984 20 10 FFCDRO COC(=O)c1c(CN2CCN(c3cc[nH+]cc3)CC2)c2ccccc2n1C ZINC001232401030 1035652420 /nfs/dbraw/zinc/65/24/20/1035652420.db2.gz DLFJJZIFMBJVIV-UHFFFAOYSA-N 1 0 364.449 2.682 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)c1 ZINC001140621142 1035748350 /nfs/dbraw/zinc/74/83/50/1035748350.db2.gz HXGQEIRDNCYCNY-KNQAVFIVSA-N 1 0 372.509 2.942 20 10 FFCDRO C[N@@H+]1CC[C@@H](Oc2cc(O)cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186012 1035980418 /nfs/dbraw/zinc/98/04/18/1035980418.db2.gz NAJDDRYHIOSWSQ-CXAGYDPISA-N 1 0 371.389 2.593 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c1O ZINC001140744275 1036033251 /nfs/dbraw/zinc/03/32/51/1036033251.db2.gz RNXRFTBNOYMHCS-OAQYLSRUSA-N 1 0 369.465 2.673 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1O ZINC001140744274 1036033705 /nfs/dbraw/zinc/03/37/05/1036033705.db2.gz RNXRFTBNOYMHCS-NRFANRHFSA-N 1 0 369.465 2.673 20 10 FFCDRO COCCOc1ccccc1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140751075 1036058030 /nfs/dbraw/zinc/05/80/30/1036058030.db2.gz IGTWNAULNDCHOI-UHFFFAOYSA-N 1 0 372.465 2.754 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(I)cc3O)C[C@H]21 ZINC001232977776 1036210716 /nfs/dbraw/zinc/21/07/16/1036210716.db2.gz LSXNYDJHACKMAX-SMDDNHRTSA-N 1 0 372.250 2.523 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]12CCN(CC(=O)C(C)(C)C)C2=O ZINC001277318059 1036226210 /nfs/dbraw/zinc/22/62/10/1036226210.db2.gz MEKLPHLLLGIZLU-OAQYLSRUSA-N 1 0 358.482 2.883 20 10 FFCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1cc(O)c(O)c(O)c1 ZINC001233010013 1036242031 /nfs/dbraw/zinc/24/20/31/1036242031.db2.gz HFHYWUZOMLHUSY-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@H]3CN(Cc4cc(O)c(O)c(O)c4)C[C@@H]3C2)cc1 ZINC001233013693 1036250136 /nfs/dbraw/zinc/25/01/36/1036250136.db2.gz ZSGAALLNCNTFKL-ROUUACIJSA-N 1 0 354.450 2.676 20 10 FFCDRO Oc1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(O)c1O ZINC001233015943 1036251616 /nfs/dbraw/zinc/25/16/16/1036251616.db2.gz DCDLNGFJWNULBC-OAQYLSRUSA-N 1 0 354.450 2.901 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2Cc3nccn3C[C@H](COC)C2)c(O)c1 ZINC001140853024 1036286136 /nfs/dbraw/zinc/28/61/36/1036286136.db2.gz JHJYVMYYIMUPIU-MRXNPFEDSA-N 1 0 358.486 2.713 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)cc1Br ZINC001233142782 1036396284 /nfs/dbraw/zinc/39/62/84/1036396284.db2.gz 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C[C@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001256455757 1038520473 /nfs/dbraw/zinc/52/04/73/1038520473.db2.gz GZRUTFPLCWZQOE-GXTWGEPZSA-N 1 0 364.442 2.658 20 10 FFCDRO COC1(CC(=O)N2CCC3(C[NH+](Cc4cc(C)ccc4O)C3)C2)CCC1 ZINC001278615585 1038819047 /nfs/dbraw/zinc/81/90/47/1038819047.db2.gz QYSATBBDRVOFNX-UHFFFAOYSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1cc(CN2CC3(C2)CC[NH+](Cc2cc(C)ccc2O)CC3)n(C)n1 ZINC001278616959 1038843059 /nfs/dbraw/zinc/84/30/59/1038843059.db2.gz LOCGRMYWZSMJJB-UHFFFAOYSA-N 1 0 354.498 2.841 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001251347377 1039081682 /nfs/dbraw/zinc/08/16/82/1039081682.db2.gz MXMMWGCUESDMME-HXUWFJFHSA-N 1 0 363.502 2.604 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001278428938 1039233595 /nfs/dbraw/zinc/23/35/95/1039233595.db2.gz XPNQTITXLWQUJU-HXUWFJFHSA-N 1 0 357.454 2.620 20 10 FFCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC001251733168 1039277899 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366.483 2.682 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001254736582 1040921865 /nfs/dbraw/zinc/92/18/65/1040921865.db2.gz GWUWLIBFBZVVEU-ZBFHGGJFSA-N 1 0 366.527 2.900 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C)CC[NH+](CC)CC)c(O)c1 ZINC001249727331 1040966156 /nfs/dbraw/zinc/96/61/56/1040966156.db2.gz ZDXRDVZJBAFWIC-UHFFFAOYSA-N 1 0 366.502 2.888 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC001255039641 1041115272 /nfs/dbraw/zinc/11/52/72/1041115272.db2.gz NZGXBMARBHYQSF-NRFANRHFSA-N 1 0 360.498 2.793 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(Cc4scnc4C)C[C@H]32)c1O ZINC001278563179 1041181885 /nfs/dbraw/zinc/18/18/85/1041181885.db2.gz UJNQTPVMVJPFQJ-GOEBONIOSA-N 1 0 359.495 2.872 20 10 FFCDRO COCCOCN1CC2(C1)CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001278568980 1041206760 /nfs/dbraw/zinc/20/67/60/1041206760.db2.gz MBRQEDWHYSVTRT-UHFFFAOYSA-N 1 0 354.878 2.564 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)OCC3CC3)C[C@H]2C)cc1C ZINC001214273139 1041346561 /nfs/dbraw/zinc/34/65/61/1041346561.db2.gz XCWMGPDOKBXXLX-GPMSIDNRSA-N 1 0 360.498 2.755 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC34CCOCC4)cc2F)CC1 ZINC001261851477 1041447167 /nfs/dbraw/zinc/44/71/67/1041447167.db2.gz VNLBGNUAMHNWFH-GOSISDBHSA-N 1 0 361.505 2.874 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1)[C@H](C)O ZINC001262563111 1041722527 /nfs/dbraw/zinc/72/25/27/1041722527.db2.gz VLEWFHXHUUEBNA-KEYYUXOJSA-N 1 0 351.491 2.677 20 10 FFCDRO C[C@H](O)[C@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001262563109 1041722942 /nfs/dbraw/zinc/72/29/42/1041722942.db2.gz VLEWFHXHUUEBNA-GRDNDAEWSA-N 1 0 351.491 2.677 20 10 FFCDRO Cc1ccc(/C=C/C(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)cn1 ZINC001263227710 1042184240 /nfs/dbraw/zinc/18/42/40/1042184240.db2.gz AFQWALPMYHDURJ-WARJXXDVSA-N 1 0 363.461 2.912 20 10 FFCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001263227989 1042184646 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WXSJYKKLMKUOSX-IRXDYDNUSA-N 1 0 359.495 2.551 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c(O)cc1O ZINC001279299334 1042989705 /nfs/dbraw/zinc/98/97/05/1042989705.db2.gz LJGLUOGJWDFTDT-UHFFFAOYSA-N 1 0 357.454 2.533 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCN(C(=O)NC(C)C)C3)CC2)c1O ZINC001279313917 1042996382 /nfs/dbraw/zinc/99/63/82/1042996382.db2.gz PZEAUDRVPLBKGC-UHFFFAOYSA-N 1 0 361.486 2.812 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c(O)c1 ZINC001279337494 1043009913 /nfs/dbraw/zinc/00/99/13/1043009913.db2.gz BENVZVYVQUREER-WBVHZDCISA-N 1 0 358.404 2.928 20 10 FFCDRO c1ccc(COc2ccc(N3CCN(C[C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC001237250734 1043075603 /nfs/dbraw/zinc/07/56/03/1043075603.db2.gz XGFZILVSJRKYDB-HXUWFJFHSA-N 1 0 351.494 2.997 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@H]3C[N@H+](Cc4c(C)cccc4O)CCN3C2)n1 ZINC001237486102 1043199371 /nfs/dbraw/zinc/19/93/71/1043199371.db2.gz NWVTZMJFNIJOMX-VQTJNVASSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1 ZINC001237487239 1043200575 /nfs/dbraw/zinc/20/05/75/1043200575.db2.gz XHZDYGSXZLLGGE-TZIWHRDSSA-N 1 0 367.449 2.715 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001237488838 1043203583 /nfs/dbraw/zinc/20/35/83/1043203583.db2.gz RXPNMKPPOAQXJT-UHFFFAOYSA-N 1 0 354.498 2.941 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001279513413 1043208209 /nfs/dbraw/zinc/20/82/09/1043208209.db2.gz DWHXDFTXHORGKI-HOTGVXAUSA-N 1 0 366.387 2.983 20 10 FFCDRO Oc1c(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)cccc1OC(F)(F)F ZINC001279521516 1043219404 /nfs/dbraw/zinc/21/94/04/1043219404.db2.gz OEYLJFSJFGVSNL-UHFFFAOYSA-N 1 0 367.371 2.937 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3nccc4occc43)CC2)c(O)c(OC)c1 ZINC001237678210 1043305134 /nfs/dbraw/zinc/30/51/34/1043305134.db2.gz LHAPJZFTCQBKJB-UHFFFAOYSA-N 1 0 369.421 2.873 20 10 FFCDRO COc1cc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC001237683065 1043308958 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354.498 2.703 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c(O)c1 ZINC001279673264 1043443518 /nfs/dbraw/zinc/44/35/18/1043443518.db2.gz ZWNNMKBEOXRHSO-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238071470 1043514786 /nfs/dbraw/zinc/51/47/86/1043514786.db2.gz XZFVBJDQMUHOGQ-UHFFFAOYSA-N 1 0 358.413 2.949 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC/C=C/C[NH3+])cc2)cc1 ZINC001238797818 1043902055 /nfs/dbraw/zinc/90/20/55/1043902055.db2.gz BQMZJFOXFXCPRJ-QMBJAPDKSA-N 1 0 373.482 2.961 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@@H]3C(=O)NCC(F)F)C2)c(O)c1 ZINC001279980387 1044027688 /nfs/dbraw/zinc/02/76/88/1044027688.db2.gz LOENVGRAFWNBBW-BEFAXECRSA-N 1 0 368.424 2.774 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cc(Cl)ccc2O)C3)C[C@H](C)O1 ZINC001279983863 1044036580 /nfs/dbraw/zinc/03/65/80/1044036580.db2.gz UGOXKAXPXDYXRJ-FCIKYMEBSA-N 1 0 364.873 2.503 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CC=CC3)C2)c1 ZINC001279986735 1044042541 /nfs/dbraw/zinc/04/25/41/1044042541.db2.gz XHHUTIBWONZMOF-RXVVDRJESA-N 1 0 356.466 2.791 20 10 FFCDRO O=C(NC1CCC(F)CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001280007685 1044080775 /nfs/dbraw/zinc/08/07/75/1044080775.db2.gz GAFPSUXAYPDHNG-WBICIVBESA-N 1 0 350.409 2.750 20 10 FFCDRO CCN(c1ccccc1)c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)ncn1 ZINC001241898347 1044630590 /nfs/dbraw/zinc/63/05/90/1044630590.db2.gz SCBJSSDOSOEGGI-UHFFFAOYSA-N 1 0 361.453 2.501 20 10 FFCDRO O=C(CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CC1 ZINC000725845863 1044672620 /nfs/dbraw/zinc/67/26/20/1044672620.db2.gz KMBULHMTFFDEFC-UHFFFAOYSA-N 1 0 360.458 2.734 20 10 FFCDRO CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1 ZINC001539234019 1070593594 /nfs/dbraw/zinc/59/35/94/1070593594.db2.gz ARCIYLJYNJFDLP-UXHICEINSA-N 1 0 355.482 2.859 20 10 FFCDRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001318736415 1044845457 /nfs/dbraw/zinc/84/54/57/1044845457.db2.gz LKNVETQYWYNINW-GOSISDBHSA-N 1 0 364.493 2.754 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC(OCC4CC4)CC3)cc2F)CC1 ZINC001319716321 1045248791 /nfs/dbraw/zinc/24/87/91/1045248791.db2.gz GLHWGPYNJGYZRZ-UHFFFAOYSA-N 1 0 361.505 2.969 20 10 FFCDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324238195 1045931156 /nfs/dbraw/zinc/93/11/56/1045931156.db2.gz YXBYDWRACMFVOC-OAHLLOKOSA-N 1 0 355.404 2.787 20 10 FFCDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324623589 1046132990 /nfs/dbraw/zinc/13/29/90/1046132990.db2.gz PTKSHCSMRCYOLZ-QGZVFWFLSA-N 1 0 350.526 2.788 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC2)cc1F ZINC001325149497 1046393689 /nfs/dbraw/zinc/39/36/89/1046393689.db2.gz CSQMCQXTONVWIH-UHFFFAOYSA-N 1 0 368.412 2.753 20 10 FFCDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1N1CCCCC1 ZINC000729684408 1046939007 /nfs/dbraw/zinc/93/90/07/1046939007.db2.gz OKZPLIKGKVROHI-ROUUACIJSA-N 1 0 374.485 2.538 20 10 FFCDRO Cc1cc(F)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC001288334986 1047449059 /nfs/dbraw/zinc/44/90/59/1047449059.db2.gz VXWAXAJPGQTFEC-UHFFFAOYSA-N 1 0 359.420 2.955 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)[NH+](C)C)cc1 ZINC001289600909 1047708253 /nfs/dbraw/zinc/70/82/53/1047708253.db2.gz UTLPNVAQVRRHGN-UYAOXDASSA-N 1 0 371.456 2.614 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)cc2F)CC1 ZINC001328699349 1048425990 /nfs/dbraw/zinc/42/59/90/1048425990.db2.gz HCNPUGAXBQGTCV-IBGZPJMESA-N 1 0 360.521 2.684 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2COC(=O)C2)C1 ZINC001329577772 1048786044 /nfs/dbraw/zinc/78/60/44/1048786044.db2.gz GDDDOJVPPXDJIH-OAHLLOKOSA-N 1 0 370.449 2.514 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCCSc3nccs3)C[C@H]2C1 ZINC001333753372 1049102492 /nfs/dbraw/zinc/10/24/92/1049102492.db2.gz IYOHQBQHOZDJSM-RBSFLKMASA-N 1 0 368.572 2.997 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2F)CC1 ZINC001330532984 1049193378 /nfs/dbraw/zinc/19/33/78/1049193378.db2.gz JFDZGGNLYZHSKK-DSKINZAPSA-N 1 0 361.505 2.703 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1OC ZINC001334154383 1049279613 /nfs/dbraw/zinc/27/96/13/1049279613.db2.gz HWCJHSQQNHLGIS-KRWDZBQOSA-N 1 0 370.449 2.804 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])cs2)cc1 ZINC001341334450 1051690698 /nfs/dbraw/zinc/69/06/98/1051690698.db2.gz FVKFXRPSADEZCZ-IFXJQAMLSA-N 1 0 356.495 2.660 20 10 FFCDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000754045814 1052445169 /nfs/dbraw/zinc/44/51/69/1052445169.db2.gz JXLDTLQFESLSKO-NVXWUHKLSA-N 1 0 363.458 2.869 20 10 FFCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308434810 1052456718 /nfs/dbraw/zinc/45/67/18/1052456718.db2.gz ZDAIDVDKRWXNBF-IFMALSPDSA-N 1 0 354.494 2.861 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)no1 ZINC001344439684 1052770634 /nfs/dbraw/zinc/77/06/34/1052770634.db2.gz XADQEEFWJOJPBL-SNAWJCMRSA-N 1 0 368.481 2.957 20 10 FFCDRO Cc1nc2ccccn2c1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335133896 1053228425 /nfs/dbraw/zinc/22/84/25/1053228425.db2.gz LROSCMWDZZFFAI-UHFFFAOYSA-N 1 0 367.472 2.823 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC001543099403 1071380776 /nfs/dbraw/zinc/38/07/76/1071380776.db2.gz ZTAFVNXZWJQXIW-GOSISDBHSA-N 1 0 361.555 2.976 20 10 FFCDRO Cc1nn(C)c(C)c1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001336027483 1053715811 /nfs/dbraw/zinc/71/58/11/1053715811.db2.gz AKNXPMWLJDJEDQ-QGZVFWFLSA-N 1 0 358.490 2.527 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@@H+]4C3)C2)cc1 ZINC001347318381 1053834684 /nfs/dbraw/zinc/83/46/84/1053834684.db2.gz UTZPHFOLLGWBAX-ZMMAXQRCSA-N 1 0 357.498 2.511 20 10 FFCDRO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001336762920 1054204502 /nfs/dbraw/zinc/20/45/02/1054204502.db2.gz JOWOACAVTYWGRD-WOJBJXKFSA-N 1 0 350.466 2.711 20 10 FFCDRO CCCCCC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC001336818411 1054255612 /nfs/dbraw/zinc/25/56/12/1054255612.db2.gz INRMNMSRHKSCQX-NRFANRHFSA-N 1 0 361.530 2.776 20 10 FFCDRO CC(C)(C[NH3+])C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC001336830185 1054264997 /nfs/dbraw/zinc/26/49/97/1054264997.db2.gz REAQNFMVVYCFSJ-UHFFFAOYSA-N 1 0 356.514 2.969 20 10 FFCDRO CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000847295848 1055410889 /nfs/dbraw/zinc/41/08/89/1055410889.db2.gz PXSLDXAFFCCDHT-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)cc1 ZINC001352409466 1055448927 /nfs/dbraw/zinc/44/89/27/1055448927.db2.gz LJKAHULINNTPMX-VRXWPRPYSA-N 1 0 371.525 2.616 20 10 FFCDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCC1 ZINC001338433022 1055509426 /nfs/dbraw/zinc/50/94/26/1055509426.db2.gz UJVBQFZDQLXRLZ-LJQANCHMSA-N 1 0 368.481 2.914 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(N)cc1 ZINC001353538797 1056512142 /nfs/dbraw/zinc/51/21/42/1056512142.db2.gz BYVVLEUBQSFWBJ-UHFFFAOYSA-N 1 0 362.424 2.820 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2ccccc2O)[C@H](c2cnn(C)c2)C1 ZINC000849565239 1056913206 /nfs/dbraw/zinc/91/32/06/1056913206.db2.gz XWNRYCYRBXBUKZ-OALUTQOASA-N 1 0 370.497 2.598 20 10 FFCDRO CC[NH+]1CCC(C(=O)NCc2ccc(O)cc2O)(c2ccccc2)CC1 ZINC001451773494 1059144814 /nfs/dbraw/zinc/14/48/14/1059144814.db2.gz YEPPIKLAQNPYOY-UHFFFAOYSA-N 1 0 354.450 2.768 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458617832 1060636791 /nfs/dbraw/zinc/63/67/91/1060636791.db2.gz LAAMMDGZKVUBKE-SYJIQKIWSA-N 1 0 367.405 2.932 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCC[C@@H](C)C1 ZINC001461046307 1061196022 /nfs/dbraw/zinc/19/60/22/1061196022.db2.gz YDWLFRDGPIENIP-QZTJIDSGSA-N 1 0 362.537 2.788 20 10 FFCDRO CC[C@H]1COCCN1CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001461731430 1061390880 /nfs/dbraw/zinc/39/08/80/1061390880.db2.gz KFYQNZHZHRSZQN-INIZCTEOSA-N 1 0 350.503 2.899 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC001461924309 1061453585 /nfs/dbraw/zinc/45/35/85/1061453585.db2.gz BGPQAPZOCYQXSL-UHFFFAOYSA-N 1 0 369.513 2.962 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2cccs2)[NH+](C)C)cc1 ZINC001477479859 1061715996 /nfs/dbraw/zinc/71/59/96/1061715996.db2.gz KJOWSNOVKGDRSD-SFHVURJKSA-N 1 0 360.527 2.959 20 10 FFCDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001546222818 1062151937 /nfs/dbraw/zinc/15/19/37/1062151937.db2.gz KFSRHOUNZULFFX-UHFFFAOYSA-N 1 0 369.465 2.800 20 10 FFCDRO Cc1cccc(OCCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001438887574 1063066739 /nfs/dbraw/zinc/06/67/39/1063066739.db2.gz QTYSTQZJLNFRCL-UHFFFAOYSA-N 1 0 367.493 2.832 20 10 FFCDRO COCCC[N@H+](C)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001465541358 1063128156 /nfs/dbraw/zinc/12/81/56/1063128156.db2.gz BEWYJEGKTFICLR-UHFFFAOYSA-N 1 0 357.498 2.721 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1F ZINC001465930618 1063269260 /nfs/dbraw/zinc/26/92/60/1063269260.db2.gz YURXPZIGCGMVCC-HOTGVXAUSA-N 1 0 363.477 2.603 20 10 FFCDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001466893901 1063587181 /nfs/dbraw/zinc/58/71/81/1063587181.db2.gz GZWGASQGEAAFAE-AWEZNQCLSA-N 1 0 350.426 2.612 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C=CCC3)cc2F)CC1 ZINC001468640885 1064016859 /nfs/dbraw/zinc/01/68/59/1064016859.db2.gz BOAKEIGSYUXECU-INIZCTEOSA-N 1 0 360.477 2.733 20 10 FFCDRO CCNC(=O)COc1cccc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC001474034869 1065443653 /nfs/dbraw/zinc/44/36/53/1065443653.db2.gz BZTFHWVPVMDCMR-UHFFFAOYSA-N 1 0 359.445 2.696 20 10 FFCDRO CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(C[NH3+])CC2)cc1 ZINC001577699459 1078389291 /nfs/dbraw/zinc/38/92/91/1078389291.db2.gz FDFAHYMYQVXRPT-UHFFFAOYSA-N 1 0 356.518 2.656 20 10 FFCDRO CCc1nnc(N2CC[C@H]([NH3+])[C@@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578314600 1078462262 /nfs/dbraw/zinc/46/22/62/1078462262.db2.gz BKWLMDXRTANOOT-RDJZCZTQSA-N 1 0 374.508 2.658 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[NH2+]C34CCC4)ccc21 ZINC001579067390 1078568189 /nfs/dbraw/zinc/56/81/89/1078568189.db2.gz GAEKDFRQDWFRJS-LJQANCHMSA-N 1 0 355.482 2.919 20 10 FFCDRO COc1ccc(O)c(CNc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)c1 ZINC001579230444 1078595471 /nfs/dbraw/zinc/59/54/71/1078595471.db2.gz MIBWLARLBVDOQY-QGZVFWFLSA-N 1 0 356.422 2.922 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1 ZINC001579589378 1078646925 /nfs/dbraw/zinc/64/69/25/1078646925.db2.gz GTOKFIIMWSHZOY-LJQANCHMSA-N 1 0 355.482 2.939 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@H+](C)CC3(C)C)ccc21 ZINC001558504565 1076019785 /nfs/dbraw/zinc/01/97/85/1076019785.db2.gz YZDMKVSYPLFAFR-LJQANCHMSA-N 1 0 357.498 2.975 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccc(O)c2)[NH+](C)C)cc1 ZINC001558723672 1076063241 /nfs/dbraw/zinc/06/32/41/1076063241.db2.gz UKXGZSMKBRLFEH-BNCSFYMNSA-N 1 0 353.466 2.891 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1 ZINC001559945933 1076205018 /nfs/dbraw/zinc/20/50/18/1076205018.db2.gz GZEQYFRIMCFOSE-HXUWFJFHSA-N 1 0 363.571 2.782 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1Cn1cccn1 ZINC001560440800 1076274007 /nfs/dbraw/zinc/27/40/07/1076274007.db2.gz GZXNIYRCJOQMFU-NRFANRHFSA-N 1 0 365.477 2.942 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CCc2cccc(C(N)=O)c2)c1O ZINC001560756891 1076297032 /nfs/dbraw/zinc/29/70/32/1076297032.db2.gz ZXYLAYIKVXDIQV-UHFFFAOYSA-N 1 0 363.255 2.894 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC001568604262 1077102675 /nfs/dbraw/zinc/10/26/75/1077102675.db2.gz CQRCXSBECPUNSO-WCQYABFASA-N 1 0 355.276 2.891 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1O ZINC001589955725 1080901916 /nfs/dbraw/zinc/90/19/16/1080901916.db2.gz LUDDMZWMDIFSSQ-CQSZACIVSA-N 1 0 364.453 2.892 20 10 FFCDRO Cc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(O)c1O ZINC000373417045 512319436 /nfs/dbraw/zinc/31/94/36/512319436.db2.gz KEJKIOLJXRRWAK-UHFFFAOYSA-N 1 0 372.387 2.941 20 10 FFCDRO O=C([C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCOCC1 ZINC000025473260 507503505 /nfs/dbraw/zinc/50/35/05/507503505.db2.gz MBXNJQMSNVOWJD-QGZVFWFLSA-N 1 0 354.450 2.616 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000073898641 507965017 /nfs/dbraw/zinc/96/50/17/507965017.db2.gz UOYLSNXNMCLWLJ-HNNXBMFYSA-N 1 0 361.442 2.876 20 10 FFCDRO COc1cccc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1O ZINC000111394258 508095936 /nfs/dbraw/zinc/09/59/36/508095936.db2.gz WBGKLHVKNNHJCF-UHFFFAOYSA-N 1 0 354.406 2.567 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000101647654 508251767 /nfs/dbraw/zinc/25/17/67/508251767.db2.gz FCQODBLWTXYYHV-JYJNAYRXSA-N 1 0 363.477 2.540 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N1CCN(C)CC1 ZINC000101660500 508253519 /nfs/dbraw/zinc/25/35/19/508253519.db2.gz JLWDYGQUIJWDJI-SFHVURJKSA-N 1 0 372.557 2.708 20 10 FFCDRO CC[N@H+](CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 ZINC000102069078 508266779 /nfs/dbraw/zinc/26/67/79/508266779.db2.gz VYZXNAJIBRKPDV-GOSISDBHSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119186767 508744250 /nfs/dbraw/zinc/74/42/50/508744250.db2.gz HDIREIGEZDTHLJ-WBVHZDCISA-N 1 0 352.450 2.509 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)c1 ZINC000182394436 509214056 /nfs/dbraw/zinc/21/40/56/509214056.db2.gz SGWZNURPPSHJQR-CJNGLKHVSA-N 1 0 356.422 2.866 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000163233469 509353731 /nfs/dbraw/zinc/35/37/31/509353731.db2.gz INTGUJLSRKREER-PXNSSMCTSA-N 1 0 356.514 2.911 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000179464946 509458230 /nfs/dbraw/zinc/45/82/30/509458230.db2.gz BUWXBGSNONLLLZ-CYBMUJFWSA-N 1 0 367.247 2.592 20 10 FFCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000186090201 509518702 /nfs/dbraw/zinc/51/87/02/509518702.db2.gz SOILBSLZZUYYKY-SNVBAGLBSA-N 1 0 362.289 2.630 20 10 FFCDRO O=[N+]([O-])c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)s1 ZINC000192458019 509527564 /nfs/dbraw/zinc/52/75/64/509527564.db2.gz DANIITLNKAXKMI-QMMMGPOBSA-N 1 0 352.445 2.596 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000179691223 509575284 /nfs/dbraw/zinc/57/52/84/509575284.db2.gz WIPXUBYYJDCKQN-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccccc1O ZINC000186272005 509614487 /nfs/dbraw/zinc/61/44/87/509614487.db2.gz CQQAWIIHUACWIN-CQSZACIVSA-N 1 0 362.442 2.697 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3O)C2=O)c1 ZINC000179888525 509661507 /nfs/dbraw/zinc/66/15/07/509661507.db2.gz SJVWAYGHXLCZIY-FZKQIMNGSA-N 1 0 356.422 2.866 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000180051888 509726191 /nfs/dbraw/zinc/72/61/91/509726191.db2.gz DMSGVZUZLDSQIA-UHFFFAOYSA-N 1 0 351.244 2.853 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000186595843 509793173 /nfs/dbraw/zinc/79/31/73/509793173.db2.gz INNAIRJYZOMADM-CQSZACIVSA-N 1 0 370.335 2.579 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000181369125 510377468 /nfs/dbraw/zinc/37/74/68/510377468.db2.gz HNWCWQAFVYTHMU-INIZCTEOSA-N 1 0 371.456 2.629 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199653 510544618 /nfs/dbraw/zinc/54/46/18/510544618.db2.gz RWYDSPBCUUIELY-CZUORRHYSA-N 1 0 362.420 2.740 20 10 FFCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC000269916961 510598325 /nfs/dbraw/zinc/59/83/25/510598325.db2.gz JTCFIYDTXPAYBM-WBVHZDCISA-N 1 0 366.255 2.729 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)ccc1OC ZINC000269940489 510609491 /nfs/dbraw/zinc/60/94/91/510609491.db2.gz OXJVRUFMHBYTOE-UXHICEINSA-N 1 0 359.466 2.806 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000178577200 510670593 /nfs/dbraw/zinc/67/05/93/510670593.db2.gz XARYHTBXTUKBDS-FQEVSTJZSA-N 1 0 371.437 2.849 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCC(=O)N2CCc3ccccc32)cc1OC ZINC000182187190 510802236 /nfs/dbraw/zinc/80/22/36/510802236.db2.gz SELJJJSBRCBHNP-UHFFFAOYSA-N 1 0 370.449 2.869 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]Cc1ccncc1OCC(F)(F)F)OCO2 ZINC000282353126 510942678 /nfs/dbraw/zinc/94/26/78/510942678.db2.gz VRLCTMMESKIJHN-UHFFFAOYSA-N 1 0 356.300 2.747 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(O)c(OC)c3)c2)CC1 ZINC000277045328 510952011 /nfs/dbraw/zinc/95/20/11/510952011.db2.gz GLAODZZVCSWIHK-UHFFFAOYSA-N 1 0 355.438 2.795 20 10 FFCDRO Cc1nc(F)ccc1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000278355770 510991023 /nfs/dbraw/zinc/99/10/23/510991023.db2.gz XSUUJFYOQVZPSD-LCYFTJDESA-N 1 0 351.472 2.825 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000278627538 511001393 /nfs/dbraw/zinc/00/13/93/511001393.db2.gz XPYSPCIQELQCCA-FPYGCLRLSA-N 1 0 369.509 2.527 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000287597841 511052950 /nfs/dbraw/zinc/05/29/50/511052950.db2.gz YPNKOMPONOLWHT-CYBMUJFWSA-N 1 0 350.846 2.693 20 10 FFCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000271051750 511069369 /nfs/dbraw/zinc/06/93/69/511069369.db2.gz PQYJJASEYMEQLI-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000289623623 511106303 /nfs/dbraw/zinc/10/63/03/511106303.db2.gz DUZWDLPBVIOCJM-OAHLLOKOSA-N 1 0 358.461 2.974 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)ccc1OC ZINC000282909671 511158565 /nfs/dbraw/zinc/15/85/65/511158565.db2.gz UXJQWIHHGDWXHD-XLIONFOSSA-N 1 0 363.498 2.889 20 10 FFCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295050288 511265032 /nfs/dbraw/zinc/26/50/32/511265032.db2.gz ONXAXRUAEDIZPH-IBGZPJMESA-N 1 0 362.514 2.787 20 10 FFCDRO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000295212281 511323797 /nfs/dbraw/zinc/32/37/97/511323797.db2.gz QCMXLODVNYWGNA-GXTWGEPZSA-N 1 0 353.413 2.514 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000295354469 511373837 /nfs/dbraw/zinc/37/38/37/511373837.db2.gz ISHROYSSJYTQNQ-IBGZPJMESA-N 1 0 356.495 2.941 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC000292050449 511446182 /nfs/dbraw/zinc/44/61/82/511446182.db2.gz JDBKARDPWHUTBR-UXLLHSPISA-N 1 0 363.477 2.588 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000273371123 511523605 /nfs/dbraw/zinc/52/36/05/511523605.db2.gz CMJRSBHWXFWGPW-DJJJIMSYSA-N 1 0 367.449 2.890 20 10 FFCDRO O=C(c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1)N1CCOCC1 ZINC000295989524 511581135 /nfs/dbraw/zinc/58/11/35/511581135.db2.gz NRESYOXAXOUIJL-SFHVURJKSA-N 1 0 352.434 2.642 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CCOCC2)c(C(F)(F)F)c1 ZINC000280884623 511640899 /nfs/dbraw/zinc/64/08/99/511640899.db2.gz NKBOSKFXXYOLMJ-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCOC1 ZINC000280976947 511675243 /nfs/dbraw/zinc/67/52/43/511675243.db2.gz VVBPIRGCGKBLBK-RTBURBONSA-N 1 0 357.450 2.706 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2F)C[C@@H](C)O1 ZINC000273977696 511677720 /nfs/dbraw/zinc/67/77/20/511677720.db2.gz TZOVWEYLBUHGFI-HUUCEWRRSA-N 1 0 371.456 2.828 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000296840364 511919060 /nfs/dbraw/zinc/91/90/60/511919060.db2.gz SPLKKEGTIBRAPK-UHFFFAOYSA-N 1 0 360.498 2.683 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000297112378 512024244 /nfs/dbraw/zinc/02/42/44/512024244.db2.gz YCIJWTZBOLUWQA-MSOLQXFVSA-N 1 0 352.434 2.779 20 10 FFCDRO COCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000281973053 512031569 /nfs/dbraw/zinc/03/15/69/512031569.db2.gz KDNLEYZCGPFGTH-UHFFFAOYSA-N 1 0 356.392 2.904 20 10 FFCDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000275073068 512033770 /nfs/dbraw/zinc/03/37/70/512033770.db2.gz XMQLCPCCGZUUTO-UHFFFAOYSA-N 1 0 362.426 2.778 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc2ccccc2c1O ZINC000359958869 512058621 /nfs/dbraw/zinc/05/86/21/512058621.db2.gz LENBHOJQVJWIRR-HKUYNNGSSA-N 1 0 369.509 2.603 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1OC ZINC000293791756 512085259 /nfs/dbraw/zinc/08/52/59/512085259.db2.gz CPKVTFWRKATCTO-UHFFFAOYSA-N 1 0 358.438 2.536 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000367699253 512621773 /nfs/dbraw/zinc/62/17/73/512621773.db2.gz GYPSBEYTJABMJT-LLVKDONJSA-N 1 0 366.259 2.886 20 10 FFCDRO CC(=O)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC12CCCCC2 ZINC000374255710 512730907 /nfs/dbraw/zinc/73/09/07/512730907.db2.gz SAXUEFPDAYQUDB-UHFFFAOYSA-N 1 0 371.525 2.890 20 10 FFCDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000529368274 517106678 /nfs/dbraw/zinc/10/66/78/517106678.db2.gz VJMILNVCJJSKFF-GOSISDBHSA-N 1 0 355.438 2.982 20 10 FFCDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000563121386 517674337 /nfs/dbraw/zinc/67/43/37/517674337.db2.gz VOIDSTGXHBPBJV-CQSZACIVSA-N 1 0 356.451 2.999 20 10 FFCDRO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2[C@@H](C)O)C1 ZINC000618926294 521298391 /nfs/dbraw/zinc/29/83/91/521298391.db2.gz WRAMWBSQHYEMKE-VQIMIIECSA-N 1 0 369.509 2.780 20 10 FFCDRO CO[C@H]1C[C@@H](CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000629819084 522464250 /nfs/dbraw/zinc/46/42/50/522464250.db2.gz XGGLAKLRNCFOAB-CALCHBBNSA-N 1 0 369.509 2.949 20 10 FFCDRO C[NH+](C)CCOC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737368043 600426431 /nfs/dbraw/zinc/42/64/31/600426431.db2.gz UZVIVTYYLWHNRG-UHFFFAOYSA-N 1 0 372.465 2.786 20 10 FFCDRO C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(N(C)C)cc1 ZINC000824598280 608280567 /nfs/dbraw/zinc/28/05/67/608280567.db2.gz DFTWQYQUDFAKAX-AWEZNQCLSA-N 1 0 352.442 2.662 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)c1Cl ZINC000898371077 735349847 /nfs/dbraw/zinc/34/98/47/735349847.db2.gz DSSPZBPMQLUPNB-CQSZACIVSA-N 1 0 360.845 2.529 20 10 FFCDRO CCc1cccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1O ZINC000898398621 735355301 /nfs/dbraw/zinc/35/53/01/735355301.db2.gz LFSNMHMCAHCWME-DEOSSOPVSA-N 1 0 353.532 2.741 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c(O)c1 ZINC000898398482 735355096 /nfs/dbraw/zinc/35/50/96/735355096.db2.gz FYDPJJDADPJAMV-RUZDIDTESA-N 1 0 369.531 2.577 20 10 FFCDRO CC[N@H+](CCCN1CCOCC1)Cc1cc(Br)ccc1O ZINC000076118424 728255441 /nfs/dbraw/zinc/25/54/41/728255441.db2.gz LYHGMFSRJWLMJT-UHFFFAOYSA-N 1 0 357.292 2.699 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093016904 728473394 /nfs/dbraw/zinc/47/33/94/728473394.db2.gz KZWGIVZWPXBXDT-CQSZACIVSA-N 1 0 369.303 2.699 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000122286186 728645942 /nfs/dbraw/zinc/64/59/42/728645942.db2.gz ZOTCLQHAVQIWMN-UHFFFAOYSA-N 1 0 367.540 2.662 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCOc1ncc(Cl)cc1Cl)OCO2 ZINC000134477271 728730411 /nfs/dbraw/zinc/73/04/11/728730411.db2.gz ZHGITLPPLUODQJ-UHFFFAOYSA-N 1 0 357.193 2.991 20 10 FFCDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1O ZINC000174881852 729082068 /nfs/dbraw/zinc/08/20/68/729082068.db2.gz VGUJOTRSJMOTNB-UHFFFAOYSA-N 1 0 369.219 2.782 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185029647 729340032 /nfs/dbraw/zinc/34/00/32/729340032.db2.gz KOFPLBIWAKSYHD-CQSZACIVSA-N 1 0 354.516 2.593 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000186121007 729360823 /nfs/dbraw/zinc/36/08/23/729360823.db2.gz BRUZWXLCNWHORU-GFCCVEGCSA-N 1 0 353.415 2.664 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)c2ccc(F)cc2)cc1F ZINC000858107246 730416763 /nfs/dbraw/zinc/41/67/63/730416763.db2.gz LCFSERQWZIMQFP-UHFFFAOYSA-N 1 0 351.372 2.690 20 10 FFCDRO COc1cccc(O)c1C[NH2+]Cc1cc(Br)cnc1OC ZINC000858249469 730420932 /nfs/dbraw/zinc/42/09/32/730420932.db2.gz QYHIBEAZPDNHPU-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000858307063 730422303 /nfs/dbraw/zinc/42/23/03/730422303.db2.gz ZUTUQSFZIRUQLZ-UHFFFAOYSA-N 1 0 362.813 2.854 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000858498359 730427266 /nfs/dbraw/zinc/42/72/66/730427266.db2.gz NPCJHVHHDZHNLU-BMGDILEWSA-N 1 0 353.532 2.654 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862238991 730679835 /nfs/dbraw/zinc/67/98/35/730679835.db2.gz QZBUCUIXFXXOIS-UHFFFAOYSA-N 1 0 353.260 2.742 20 10 FFCDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862248963 730681720 /nfs/dbraw/zinc/68/17/20/730681720.db2.gz VBRNJYGXONJXGO-JKSUJKDBSA-N 1 0 370.287 2.907 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1F ZINC000864055393 730820225 /nfs/dbraw/zinc/82/02/25/730820225.db2.gz OVVMSSKPDKADAZ-OAHLLOKOSA-N 1 0 354.441 2.784 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)ccc1OC ZINC000865682411 730985214 /nfs/dbraw/zinc/98/52/14/730985214.db2.gz FLDAGZGDBHQRMF-HNNXBMFYSA-N 1 0 358.364 2.716 20 10 FFCDRO CN(C)C1(CS(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000866430567 731059296 /nfs/dbraw/zinc/05/92/96/731059296.db2.gz WTMLCTIBLLZSAM-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1Cn1cccn1 ZINC000873059136 731869493 /nfs/dbraw/zinc/86/94/93/731869493.db2.gz XGGUOCWFZHITFA-LJQANCHMSA-N 1 0 357.479 2.999 20 10 FFCDRO CCn1ncnc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000876998509 732309744 /nfs/dbraw/zinc/30/97/44/732309744.db2.gz INADAAHMWKPWNT-UHFFFAOYSA-N 1 0 351.401 2.658 20 10 FFCDRO O=C1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCN1 ZINC000877071049 732321606 /nfs/dbraw/zinc/32/16/06/732321606.db2.gz CIDPWBIZEZPCNQ-UONOGXRCSA-N 1 0 353.413 2.515 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877579452 732392668 /nfs/dbraw/zinc/39/26/68/732392668.db2.gz YSNQISKDMLHTPQ-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877745079 732422453 /nfs/dbraw/zinc/42/24/53/732422453.db2.gz ZVQFMBDERRYTFF-BXUZGUMPSA-N 1 0 355.276 2.689 20 10 FFCDRO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000879648567 732742792 /nfs/dbraw/zinc/74/27/92/732742792.db2.gz UGAUPXGLOITCQM-RISCZKNCSA-N 1 0 360.435 2.696 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)c1ccccc1O ZINC000879649093 732742803 /nfs/dbraw/zinc/74/28/03/732742803.db2.gz ICKIOGLFLFLWIM-VVFCZOMOSA-N 1 0 350.459 2.803 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000781634781 738643418 /nfs/dbraw/zinc/64/34/18/738643418.db2.gz GGYKWJWTDPHIAN-UHFFFAOYSA-N 1 0 371.319 2.788 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccc(Br)cc1O ZINC000926953965 738672715 /nfs/dbraw/zinc/67/27/15/738672715.db2.gz RIYPOXCRGJMAOC-SNVBAGLBSA-N 1 0 364.305 2.876 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)ccc1O ZINC000927146414 738696572 /nfs/dbraw/zinc/69/65/72/738696572.db2.gz NTHOQTYIDGSIIA-DGCLKSJQSA-N 1 0 365.275 2.881 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883368033 733375558 /nfs/dbraw/zinc/37/55/58/733375558.db2.gz DZDAIEKBVRDYAQ-SECBINFHSA-N 1 0 364.108 2.803 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)c(O)c1OC ZINC000892583695 734576484 /nfs/dbraw/zinc/57/64/84/734576484.db2.gz YEVAONRPRXYJHV-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO F[C@@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc(N3CCSCC3)cc1)OCCO2 ZINC000892612994 734579867 /nfs/dbraw/zinc/57/98/67/734579867.db2.gz PUVNGDHCXNSDJZ-MSOLQXFVSA-N 1 0 366.502 2.963 20 10 FFCDRO C[N@@H+]1CCN(CCCNC(=O)C2=CC(=O)CS2)[C@@H](c2ccccc2)C1 ZINC000731869866 734702084 /nfs/dbraw/zinc/70/20/84/734702084.db2.gz XMMBZODURVAVTA-QGZVFWFLSA-N 1 0 359.495 2.562 20 10 FFCDRO COc1ccc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c(O)c1OC ZINC000894263396 734827475 /nfs/dbraw/zinc/82/74/75/734827475.db2.gz GSHGFBNPSWBKRH-UHFFFAOYSA-N 1 0 364.467 2.609 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1O ZINC000894999854 734950158 /nfs/dbraw/zinc/95/01/58/734950158.db2.gz FGFSQDPFXGFTEZ-LJQANCHMSA-N 1 0 360.841 2.683 20 10 FFCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000896048893 735093905 /nfs/dbraw/zinc/09/39/05/735093905.db2.gz VPUKOBOUWOHYGW-XJKSGUPXSA-N 1 0 361.515 2.872 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c1O ZINC000896978038 735190511 /nfs/dbraw/zinc/19/05/11/735190511.db2.gz LQNYQGCCFGIRQS-IBGZPJMESA-N 1 0 350.459 2.552 20 10 FFCDRO CCn1cnc2c1CCN(Cc1cc(Br)cc(OC)c1O)C2 ZINC000897336845 735220966 /nfs/dbraw/zinc/22/09/66/735220966.db2.gz PTFFXGDVYPDLGT-UHFFFAOYSA-N 1 0 366.259 2.938 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1O ZINC000748050516 735611917 /nfs/dbraw/zinc/61/19/17/735611917.db2.gz FJMOCZYYSJCADW-UHFFFAOYSA-N 1 0 350.434 2.813 20 10 FFCDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000902672092 735979576 /nfs/dbraw/zinc/97/95/76/735979576.db2.gz RATVVNVFOSDKMX-RUZDIDTESA-N 1 0 365.543 2.667 20 10 FFCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1=O ZINC000903390043 736086337 /nfs/dbraw/zinc/08/63/37/736086337.db2.gz XXISSJLDFBHNQX-GWCFXTLKSA-N 1 0 371.275 2.825 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)ccc1O ZINC000903434157 736094079 /nfs/dbraw/zinc/09/40/79/736094079.db2.gz JRMYSHXKXMVXRH-MWLCHTKSSA-N 1 0 352.797 2.610 20 10 FFCDRO CC[C@@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000905146239 736302230 /nfs/dbraw/zinc/30/22/30/736302230.db2.gz RNVVKPNKIHYZHT-MRXNPFEDSA-N 1 0 364.383 2.580 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756411892 736329392 /nfs/dbraw/zinc/32/93/92/736329392.db2.gz QYHBHKUTYYDXJB-SWLSCSKDSA-N 1 0 370.490 2.873 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756445883 736331838 /nfs/dbraw/zinc/33/18/38/736331838.db2.gz PVXYBJJWZSNXDH-XHDPSFHLSA-N 1 0 364.442 2.778 20 10 FFCDRO CCCCOCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759888046 736602200 /nfs/dbraw/zinc/60/22/00/736602200.db2.gz ZWJXIARAEFZZIJ-UHFFFAOYSA-N 1 0 352.475 2.651 20 10 FFCDRO C[C@H]1CCC[N@H+](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761021562 736688806 /nfs/dbraw/zinc/68/88/06/736688806.db2.gz VQTPXBXDAZIKMF-ZDUSSCGKSA-N 1 0 365.861 2.542 20 10 FFCDRO CCC[C@@H](O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982988 736779110 /nfs/dbraw/zinc/77/91/10/736779110.db2.gz OTMMUYZECJPHDD-HZPDHXFCSA-N 1 0 354.878 2.677 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(Br)c1O ZINC000764791025 737049970 /nfs/dbraw/zinc/04/99/70/737049970.db2.gz LMAMFZCIIXWSFJ-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cccc(Br)c1O ZINC000764792875 737050468 /nfs/dbraw/zinc/05/04/68/737050468.db2.gz YMQDAAKUKSQIQV-LBPRGKRZSA-N 1 0 370.291 2.828 20 10 FFCDRO OC1(C(F)(F)F)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000765280780 737103793 /nfs/dbraw/zinc/10/37/93/737103793.db2.gz BBHRYUDIOMWKSM-UHFFFAOYSA-N 1 0 358.404 2.849 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765787301 737158534 /nfs/dbraw/zinc/15/85/34/737158534.db2.gz DAWCXIVUHCGJOZ-JKSUJKDBSA-N 1 0 367.921 2.548 20 10 FFCDRO CCOCc1cc(C[NH2+]CCC2CCS(=O)(=O)CC2)ccc1OC ZINC000768649725 737445083 /nfs/dbraw/zinc/44/50/83/737445083.db2.gz IEYDRWXCUCQFET-UHFFFAOYSA-N 1 0 355.500 2.536 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000769429298 737528847 /nfs/dbraw/zinc/52/88/47/737528847.db2.gz WYRCKYGBQXBUJM-SFHVURJKSA-N 1 0 353.532 2.566 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)c(O)c1 ZINC000769548172 737541564 /nfs/dbraw/zinc/54/15/64/737541564.db2.gz HCWUKSGKZBGLLY-UHFFFAOYSA-N 1 0 362.499 2.917 20 10 FFCDRO CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)COC1 ZINC000771056686 737689950 /nfs/dbraw/zinc/68/99/50/737689950.db2.gz GNVXMFDOWZBCHA-HNNXBMFYSA-N 1 0 352.862 2.553 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2nccn3cnnc23)C1 ZINC000771203261 737705847 /nfs/dbraw/zinc/70/58/47/737705847.db2.gz OSDCLESBJNIYKT-AWEZNQCLSA-N 1 0 358.833 2.560 20 10 FFCDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)[C@H]1C(C)C ZINC000922396605 738138103 /nfs/dbraw/zinc/13/81/03/738138103.db2.gz YPYADLKFPDCNOK-PSBWJHGTSA-N 1 0 354.441 2.630 20 10 FFCDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000922453104 738147952 /nfs/dbraw/zinc/14/79/52/738147952.db2.gz XLELXISWPJQFLZ-UHFFFAOYSA-N 1 0 368.886 2.727 20 10 FFCDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000777255370 738274979 /nfs/dbraw/zinc/27/49/79/738274979.db2.gz PHJCKWKHZGTKHG-AWEZNQCLSA-N 1 0 367.921 2.990 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOCC1 ZINC000787449953 739137691 /nfs/dbraw/zinc/13/76/91/739137691.db2.gz NDDVUGKFMGTSTA-YOEHRIQHSA-N 1 0 366.889 2.943 20 10 FFCDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000788502182 739251365 /nfs/dbraw/zinc/25/13/65/739251365.db2.gz HDQCANOCTHKXJR-CYBMUJFWSA-N 1 0 364.287 2.855 20 10 FFCDRO CCOCC[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792776726 739706272 /nfs/dbraw/zinc/70/62/72/739706272.db2.gz IXQILJJYNNTDPJ-UHFFFAOYSA-N 1 0 359.436 2.926 20 10 FFCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000793008150 739730189 /nfs/dbraw/zinc/73/01/89/739730189.db2.gz BWRZOQCUFOQXHQ-ZDUSSCGKSA-N 1 0 358.408 2.665 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(C(N)=O)nc2)c(C(F)(F)F)c1 ZINC000793013534 739730688 /nfs/dbraw/zinc/73/06/88/739730688.db2.gz RFBIFMUQWJMXPX-UHFFFAOYSA-N 1 0 352.360 2.555 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000794500652 739898713 /nfs/dbraw/zinc/89/87/13/739898713.db2.gz WYNXWMWFWFJQLB-PBHICJAKSA-N 1 0 351.491 2.679 20 10 FFCDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000795689151 740052478 /nfs/dbraw/zinc/05/24/78/740052478.db2.gz QKSJTQXBDCRIOL-INIZCTEOSA-N 1 0 354.328 2.868 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000799726343 740445647 /nfs/dbraw/zinc/44/56/47/740445647.db2.gz OAHVXMOGQSUELK-LBPRGKRZSA-N 1 0 370.421 2.608 20 10 FFCDRO C[C@H](CNC(=O)NCc1cc(Br)ccc1O)C[NH+]1CCCC1 ZINC000805180061 740947851 /nfs/dbraw/zinc/94/78/51/740947851.db2.gz BGTKMGJKIFVKNZ-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136770 741042530 /nfs/dbraw/zinc/04/25/30/741042530.db2.gz CEXFMJCPDFIKFH-CJNGLKHVSA-N 1 0 353.894 2.674 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1O ZINC000808691567 741252637 /nfs/dbraw/zinc/25/26/37/741252637.db2.gz SMUBERYEWOUJLD-PBHICJAKSA-N 1 0 367.921 2.947 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000808775895 741259709 /nfs/dbraw/zinc/25/97/09/741259709.db2.gz NBJGBSNBALCMLZ-INIZCTEOSA-N 1 0 367.559 2.635 20 10 FFCDRO C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809695898 741332780 /nfs/dbraw/zinc/33/27/80/741332780.db2.gz AQLZPHJIWNVIMJ-PBHICJAKSA-N 1 0 357.420 2.590 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000809707184 741334624 /nfs/dbraw/zinc/33/46/24/741334624.db2.gz RTGBUBHFZMHHNT-UHFFFAOYSA-N 1 0 356.894 2.605 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000809721347 741336906 /nfs/dbraw/zinc/33/69/06/741336906.db2.gz QGKURDLUZXDJOI-QWRGUYRKSA-N 1 0 364.471 2.568 20 10 FFCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(C(F)(F)F)cc1O ZINC000810209778 741398123 /nfs/dbraw/zinc/39/81/23/741398123.db2.gz VRUSDTWDIRQXRT-CYBMUJFWSA-N 1 0 360.376 2.734 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000814171406 741800772 /nfs/dbraw/zinc/80/07/72/741800772.db2.gz NHSKJCGMZARPNE-LJQANCHMSA-N 1 0 367.559 2.779 20 10 FFCDRO COC[C@]1(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CCC[NH2+]1 ZINC000817973645 742225291 /nfs/dbraw/zinc/22/52/91/742225291.db2.gz FTZBTMYQWZCGFX-HNAYVOBHSA-N 1 0 367.921 2.596 20 10 FFCDRO O[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)(F)F ZINC000819003862 742323297 /nfs/dbraw/zinc/32/32/97/742323297.db2.gz ZVZOAZUVLSWQFO-CYBMUJFWSA-N 1 0 354.319 2.770 20 10 FFCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)CC1CCCC1 ZINC000819358633 742381017 /nfs/dbraw/zinc/38/10/17/742381017.db2.gz MUIGRAYLUCGCPF-INIZCTEOSA-N 1 0 354.441 2.832 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000820886482 742563408 /nfs/dbraw/zinc/56/34/08/742563408.db2.gz QEJDHODQBGDEFR-LBPRGKRZSA-N 1 0 355.276 2.845 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000822504221 742745356 /nfs/dbraw/zinc/74/53/56/742745356.db2.gz PJHVVRODKVLGAK-CYBMUJFWSA-N 1 0 367.247 2.592 20 10 FFCDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000824738224 743139289 /nfs/dbraw/zinc/13/92/89/743139289.db2.gz LAWJBQBHLOWYNP-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 ZINC000824820735 743154951 /nfs/dbraw/zinc/15/49/51/743154951.db2.gz LMRWLTVBSQXFOW-GJZGRUSLSA-N 1 0 355.404 2.595 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000825045569 743200285 /nfs/dbraw/zinc/20/02/85/743200285.db2.gz HEOQIKXPSXMJEP-SNVBAGLBSA-N 1 0 354.248 2.618 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000825703755 743314239 /nfs/dbraw/zinc/31/42/39/743314239.db2.gz DUGMQDHXWKBRKQ-HNNXBMFYSA-N 1 0 366.259 2.823 20 10 FFCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000825726111 743318914 /nfs/dbraw/zinc/31/89/14/743318914.db2.gz FTDNBHIPFYWJKC-BETUJISGSA-N 1 0 357.292 2.696 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)c1O ZINC000826894490 743464758 /nfs/dbraw/zinc/46/47/58/743464758.db2.gz QDYLUUHQYVZUSM-OLZOCXBDSA-N 1 0 361.360 2.964 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000827151918 743520376 /nfs/dbraw/zinc/52/03/76/743520376.db2.gz NENVNFGFTMDDOO-MRXNPFEDSA-N 1 0 356.260 2.900 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657534 745399066 /nfs/dbraw/zinc/39/90/66/745399066.db2.gz JAHLTLWZUZCAFG-UGSOOPFHSA-N 1 0 355.429 2.891 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C[N@@H+]1C1CC1 ZINC000832128606 745641012 /nfs/dbraw/zinc/64/10/12/745641012.db2.gz IYEHJLQXDMBMTP-SWLSCSKDSA-N 1 0 356.495 2.671 20 10 FFCDRO Cc1oc(Br)cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267490 745668686 /nfs/dbraw/zinc/66/86/86/745668686.db2.gz TXYKJKFIXVYONJ-CQSZACIVSA-N 1 0 366.259 2.846 20 10 FFCDRO CC(C)c1ncc(Cl)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832279334 745670869 /nfs/dbraw/zinc/67/08/69/745670869.db2.gz JCMWGWDXOFYKDH-HNNXBMFYSA-N 1 0 361.877 2.749 20 10 FFCDRO Cc1cc(OCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000832293344 745673627 /nfs/dbraw/zinc/67/36/27/745673627.db2.gz VHAIHNBLKAMJRQ-SFHVURJKSA-N 1 0 361.873 2.909 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000834316444 745817201 /nfs/dbraw/zinc/81/72/01/745817201.db2.gz HAADSNSJOWNPQJ-ACJLOTCBSA-N 1 0 361.873 2.936 20 10 FFCDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834843780 745912950 /nfs/dbraw/zinc/91/29/50/745912950.db2.gz LGPBHRMSRRFXPT-KDOFPFPSSA-N 1 0 356.894 2.615 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(Br)cc1O ZINC000834851267 745914660 /nfs/dbraw/zinc/91/46/60/745914660.db2.gz WBIKJKSNVZJIMZ-TZMCWYRMSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1O ZINC000834915720 745923866 /nfs/dbraw/zinc/92/38/66/745923866.db2.gz TWEULDLOVSHBRC-ZKYQVNSYSA-N 1 0 353.260 2.959 20 10 FFCDRO O=C(NCCCSc1nccs1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839681744 746892699 /nfs/dbraw/zinc/89/26/99/746892699.db2.gz SHAUTVHNOHXKAR-CQSZACIVSA-N 1 0 371.597 2.959 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000840931764 747232086 /nfs/dbraw/zinc/23/20/86/747232086.db2.gz JSWNFJKSSDCVGC-MRXNPFEDSA-N 1 0 350.409 2.869 20 10 FFCDRO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000841099532 747268972 /nfs/dbraw/zinc/26/89/72/747268972.db2.gz LGIWARDQFRQSGB-RDJZCZTQSA-N 1 0 369.303 2.873 20 10 FFCDRO Cc1nccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC000841495020 747369173 /nfs/dbraw/zinc/36/91/73/747369173.db2.gz GTYLQYWZGDSNQZ-JYRVWZFOSA-N 1 0 350.513 2.574 20 10 FFCDRO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786116 747687469 /nfs/dbraw/zinc/68/74/69/747687469.db2.gz ZNTDNZWOXOXWLM-INIZCTEOSA-N 1 0 367.902 2.693 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(C)cc1O ZINC000842884008 747713905 /nfs/dbraw/zinc/71/39/05/747713905.db2.gz MPOJMPRETVZUGW-GOEBONIOSA-N 1 0 361.463 2.976 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842914674 747719430 /nfs/dbraw/zinc/71/94/30/747719430.db2.gz GTOZCNHEZGSSHY-ZBEGNZNMSA-N 1 0 358.276 2.983 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC000844314235 748001831 /nfs/dbraw/zinc/00/18/31/748001831.db2.gz YGDXIVWFFDXAHM-JTQLQIEISA-N 1 0 370.858 2.552 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844948576 748143211 /nfs/dbraw/zinc/14/32/11/748143211.db2.gz MFMFGJCRLQRDFW-MRXNPFEDSA-N 1 0 350.507 2.503 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)c1O ZINC000846143571 748414563 /nfs/dbraw/zinc/41/45/63/748414563.db2.gz GRSSQZFAESWBAQ-SNVBAGLBSA-N 1 0 356.348 2.972 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000846473637 748487771 /nfs/dbraw/zinc/48/77/71/748487771.db2.gz VECYPCLIQVJVFX-OAHLLOKOSA-N 1 0 359.857 2.969 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846671301 748522772 /nfs/dbraw/zinc/52/27/72/748522772.db2.gz ABGLFCUSUKPCNZ-GFCCVEGCSA-N 1 0 355.276 2.893 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CCN(OC)CC2)c1O ZINC000848554215 748958800 /nfs/dbraw/zinc/95/88/00/748958800.db2.gz XJMODKKZNVNPIL-JTQLQIEISA-N 1 0 359.264 2.840 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850354099 749350425 /nfs/dbraw/zinc/35/04/25/749350425.db2.gz VOBLKBMLPQBIAE-KCPJHIHWSA-N 1 0 358.276 2.810 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852845392 749964378 /nfs/dbraw/zinc/96/43/78/749964378.db2.gz WBYRHHDTQPDKJR-HNNXBMFYSA-N 1 0 358.511 2.919 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000397402363 845866776 /nfs/dbraw/zinc/86/67/76/845866776.db2.gz ACIRIIZGIXEQSA-CABCVRRESA-N 1 0 350.459 2.987 20 10 FFCDRO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275840806 1013070328 /nfs/dbraw/zinc/07/03/28/1013070328.db2.gz SBWQSEJKCITWJW-IBGZPJMESA-N 1 0 366.889 2.753 20 10 FFCDRO CN(CCC[NH+](C)C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589594 1013100848 /nfs/dbraw/zinc/10/08/48/1013100848.db2.gz MQIKBGXIROZYTO-UHFFFAOYSA-N 1 0 352.442 2.812 20 10 FFCDRO CC[N@@H+]1CCCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888592133 1013131975 /nfs/dbraw/zinc/13/19/75/1013131975.db2.gz RNRKBNAKYRBMBQ-UHFFFAOYSA-N 1 0 364.453 2.956 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275895195 1013153687 /nfs/dbraw/zinc/15/36/87/1013153687.db2.gz YARGWOJKSPBNFN-KUHUBIRLSA-N 1 0 366.889 2.895 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1OC ZINC000160190127 958844556 /nfs/dbraw/zinc/84/45/56/958844556.db2.gz ZLCAGUBUXOMPPN-CQSZACIVSA-N 1 0 364.486 2.784 20 10 FFCDRO Cc1cc(C[N@@H+]2CCNC(=O)CC23CCOCC3)ccc1N1CCCCC1 ZINC000872285579 1013200364 /nfs/dbraw/zinc/20/03/64/1013200364.db2.gz YAHSCTQRFAYVRH-UHFFFAOYSA-N 1 0 371.525 2.856 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951453 1013220384 /nfs/dbraw/zinc/22/03/84/1013220384.db2.gz JUGMNYDQXFGNCO-IERDGZPVSA-N 1 0 357.498 2.605 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)OCC1=O ZINC001275952096 1013222426 /nfs/dbraw/zinc/22/24/26/1013222426.db2.gz UMDYDHZIASMJIM-UTKZUKDTSA-N 1 0 359.514 2.663 20 10 FFCDRO C/C(=C/c1ccccn1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246163 962564605 /nfs/dbraw/zinc/56/46/05/962564605.db2.gz MRMHNLQTSVSPRH-HZMYXVCSSA-N 1 0 352.482 2.970 20 10 FFCDRO Cc1nc(C2CC2)oc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247164 962569729 /nfs/dbraw/zinc/56/97/29/962569729.db2.gz GECRZBVBWKKVPU-KRWDZBQOSA-N 1 0 356.470 2.959 20 10 FFCDRO Cc1ccncc1/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248693 962589946 /nfs/dbraw/zinc/58/99/46/962589946.db2.gz NAGIJIDESIZQSG-OJLWIZQOSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2conc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891250561 962591232 /nfs/dbraw/zinc/59/12/32/962591232.db2.gz WXDSLGLRXQFXQG-CQSZACIVSA-N 1 0 370.375 2.792 20 10 FFCDRO CC(=O)c1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250641 962592352 /nfs/dbraw/zinc/59/23/52/962592352.db2.gz BGFWVDIGBGCMIS-HXUWFJFHSA-N 1 0 353.466 2.988 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c[nH]nc2-c2ccoc2)[NH+](C)C)cc1 ZINC000891250129 962595769 /nfs/dbraw/zinc/59/57/69/962595769.db2.gz ZLFYPSQUUVAHSH-SFHVURJKSA-N 1 0 367.453 2.768 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)[C@@]12CCCO2 ZINC000873105624 1013386522 /nfs/dbraw/zinc/38/65/22/1013386522.db2.gz ZNSPDFBWXWYSBF-HBMCJLEFSA-N 1 0 371.481 2.756 20 10 FFCDRO CCCNc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1C ZINC001167422939 963011088 /nfs/dbraw/zinc/01/10/88/963011088.db2.gz HRXAEHKMMCIJHS-UHFFFAOYSA-N 1 0 354.502 2.971 20 10 FFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001276065009 1013394450 /nfs/dbraw/zinc/39/44/50/1013394450.db2.gz YYQBHJMWJYTNPJ-HZPDHXFCSA-N 1 0 350.434 2.522 20 10 FFCDRO COc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1Cn1cccn1 ZINC000873131862 1013395251 /nfs/dbraw/zinc/39/52/51/1013395251.db2.gz XYEDNRKBDYXNHQ-UHFFFAOYSA-N 1 0 370.497 2.821 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000873141152 1013399342 /nfs/dbraw/zinc/39/93/42/1013399342.db2.gz ADQACHVACTZLPY-KRWDZBQOSA-N 1 0 366.469 2.590 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(F)(F)F)ncn3)cc2)CC1 ZINC001167434676 963183733 /nfs/dbraw/zinc/18/37/33/963183733.db2.gz RLZAIPUTCKBGEJ-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO COc1cc2nccn2cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167436980 963270567 /nfs/dbraw/zinc/27/05/67/963270567.db2.gz JTOQQSPXZHZAPN-UHFFFAOYSA-N 1 0 351.454 2.707 20 10 FFCDRO CCOC(=O)Cc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167437323 963272104 /nfs/dbraw/zinc/27/21/04/963272104.db2.gz QCQHTOZBVJJWMC-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000051128277 964071205 /nfs/dbraw/zinc/07/12/05/964071205.db2.gz IMMHFWWBICSEHU-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCCCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000891490058 964382358 /nfs/dbraw/zinc/38/23/58/964382358.db2.gz ZQYSMLQVBASWOR-MRXNPFEDSA-N 1 0 360.502 2.577 20 10 FFCDRO COC[C@]1(C[NH2+]Cc2cc(C)cc(OC)c2O)OCCc2ccccc21 ZINC000894790186 965690103 /nfs/dbraw/zinc/69/01/03/965690103.db2.gz PEXCFPIFFVSCOK-NRFANRHFSA-N 1 0 357.450 2.913 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC2(CF)CCOCC2)c2cc(F)ccc2n1C ZINC000894898763 966126700 /nfs/dbraw/zinc/12/67/00/966126700.db2.gz KGKNGCZKSWVOMT-UHFFFAOYSA-N 1 0 366.408 2.960 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934558072 966698651 /nfs/dbraw/zinc/69/86/51/966698651.db2.gz WXXOHBIORUDRQU-MRXNPFEDSA-N 1 0 369.513 2.716 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@@H]3C)cc2F)CC1 ZINC000178671994 967003188 /nfs/dbraw/zinc/00/31/88/967003188.db2.gz YXHZBLXWFIDPIA-HOTGVXAUSA-N 1 0 362.493 2.908 20 10 FFCDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000729498418 967370308 /nfs/dbraw/zinc/37/03/08/967370308.db2.gz LEPJWNKVRJZZKQ-QGZVFWFLSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(O)c1OC ZINC000895113814 967659757 /nfs/dbraw/zinc/65/97/57/967659757.db2.gz HURQMWJODHRSEB-QGZVFWFLSA-N 1 0 370.449 2.548 20 10 FFCDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1O ZINC000874190534 1013784132 /nfs/dbraw/zinc/78/41/32/1013784132.db2.gz DVXIQVUVMVDEOH-CQSZACIVSA-N 1 0 355.438 2.578 20 10 FFCDRO CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895211187 968472768 /nfs/dbraw/zinc/47/27/68/968472768.db2.gz YJLZUBDRLUQAAB-QAPCUYQASA-N 1 0 372.517 2.632 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccccc2CN2CCOCC2)c(O)c1OC ZINC000892452436 968848440 /nfs/dbraw/zinc/84/84/40/968848440.db2.gz NTCBIUKHUQXXBN-UHFFFAOYSA-N 1 0 372.465 2.531 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178123761 969454441 /nfs/dbraw/zinc/45/44/41/969454441.db2.gz SVIWWSRLASGKIQ-QGZVFWFLSA-N 1 0 373.522 2.950 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000892561123 969485676 /nfs/dbraw/zinc/48/56/76/969485676.db2.gz FXZCAQTZKRCIIU-CALCHBBNSA-N 1 0 356.470 2.795 20 10 FFCDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892626253 969634555 /nfs/dbraw/zinc/63/45/55/969634555.db2.gz QHUOMBOSSPNWOZ-UHFFFAOYSA-N 1 0 364.486 2.926 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c(O)c1OC ZINC000892706501 970163944 /nfs/dbraw/zinc/16/39/44/970163944.db2.gz UMULMQFSCBXYBQ-UHFFFAOYSA-N 1 0 356.422 2.591 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892885283 970347237 /nfs/dbraw/zinc/34/72/37/970347237.db2.gz SLVHXDRSLYWGHR-UHFFFAOYSA-N 1 0 373.526 2.668 20 10 FFCDRO C[NH+](C)CCOc1ccccc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875181841 1013986466 /nfs/dbraw/zinc/98/64/66/1013986466.db2.gz WXLDRUIMFRYGEK-UHFFFAOYSA-N 1 0 355.438 2.558 20 10 FFCDRO CCOCc1cc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)ccc1OC ZINC000895345212 970433451 /nfs/dbraw/zinc/43/34/51/970433451.db2.gz YNBNCHUVCHYRAJ-SFHVURJKSA-N 1 0 361.486 2.611 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c(O)c1OC ZINC000892961157 970441632 /nfs/dbraw/zinc/44/16/32/970441632.db2.gz ADOWDUMGZJDJJK-INIZCTEOSA-N 1 0 356.422 2.613 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC(=O)N2CCCCc3ccccc32)cc1OC ZINC000896925980 973020211 /nfs/dbraw/zinc/02/02/11/973020211.db2.gz SBZMIEMXIBUCAS-UHFFFAOYSA-N 1 0 370.449 2.869 20 10 FFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000125073991 973084002 /nfs/dbraw/zinc/08/40/02/973084002.db2.gz SYIJWGASYQVKBX-QZTJIDSGSA-N 1 0 374.529 2.758 20 10 FFCDRO COC(=O)[C@@H]1CN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C[C@H]1C ZINC000828032228 974164522 /nfs/dbraw/zinc/16/45/22/974164522.db2.gz UITXVFZVRGEXSA-SJKOYZFVSA-N 1 0 373.428 2.552 20 10 FFCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662816421 974201964 /nfs/dbraw/zinc/20/19/64/974201964.db2.gz BBWQIKHMYIAFRX-HOCLYGCPSA-N 1 0 368.481 2.970 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1c1ccc(F)cc1 ZINC000840969795 974308156 /nfs/dbraw/zinc/30/81/56/974308156.db2.gz MWEFKMHAQQLNTC-HXUWFJFHSA-N 1 0 369.440 2.557 20 10 FFCDRO O=C(c1cc([O-])[nH]c(=O)c1)N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001271801561 974350491 /nfs/dbraw/zinc/35/04/91/974350491.db2.gz KUQRFOWNOYVZTA-HXUWFJFHSA-N 1 0 359.470 2.754 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CCCC1 ZINC000653127048 1014233866 /nfs/dbraw/zinc/23/38/66/1014233866.db2.gz WZMAMLRGAISTSC-GJZGRUSLSA-N 1 0 355.482 2.724 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1[C@@H]1CCOC1 ZINC000876505811 1014286871 /nfs/dbraw/zinc/28/68/71/1014286871.db2.gz BKJPNGZFMFYEIT-QUCCMNQESA-N 1 0 370.497 2.562 20 10 FFCDRO Oc1ccccc1N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876527160 1014292358 /nfs/dbraw/zinc/29/23/58/1014292358.db2.gz UVBLAAOEUIZSFT-UHFFFAOYSA-N 1 0 367.493 2.676 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)N(C)C)cc1 ZINC000898451918 976460418 /nfs/dbraw/zinc/46/04/18/976460418.db2.gz RESGFLLFRLJFBC-OAQYLSRUSA-N 1 0 364.497 2.726 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)c2cncn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000898888796 976748477 /nfs/dbraw/zinc/74/84/77/976748477.db2.gz QOMOKHQXGQFMEC-IBGZPJMESA-N 1 0 366.465 2.908 20 10 FFCDRO Oc1ccccc1C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C1CCCC1 ZINC000876722449 1014364118 /nfs/dbraw/zinc/36/41/18/1014364118.db2.gz UYROFJWRBRWPPV-MRXNPFEDSA-N 1 0 356.470 2.965 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876778475 1014390151 /nfs/dbraw/zinc/39/01/51/1014390151.db2.gz GGATVXWFGTZGMH-UHFFFAOYSA-N 1 0 372.494 2.715 20 10 FFCDRO Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000248408098 977846836 /nfs/dbraw/zinc/84/68/36/977846836.db2.gz DSXMVMGLESFPDS-CVEARBPZSA-N 1 0 362.376 2.860 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000728978203 978137632 /nfs/dbraw/zinc/13/76/32/978137632.db2.gz BSQULOGYEPJQDD-NVXWUHKLSA-N 1 0 369.465 2.885 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000877117700 1014478872 /nfs/dbraw/zinc/47/88/72/1014478872.db2.gz PSVYUAVBNQVAJP-UHFFFAOYSA-N 1 0 374.506 2.916 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3N)cc2)C1 ZINC000877145058 1014489286 /nfs/dbraw/zinc/48/92/86/1014489286.db2.gz BOYRDZNEYRFCBT-MRXNPFEDSA-N 1 0 372.900 2.914 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3N)cc2)C1 ZINC000877145056 1014489318 /nfs/dbraw/zinc/48/93/18/1014489318.db2.gz BOYRDZNEYRFCBT-INIZCTEOSA-N 1 0 372.900 2.914 20 10 FFCDRO O[C@H]([C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877479510 1014595309 /nfs/dbraw/zinc/59/53/09/1014595309.db2.gz WHGVUPYXKKQUIU-MAUKXSAKSA-N 1 0 372.431 2.783 20 10 FFCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877543461 1014620222 /nfs/dbraw/zinc/62/02/22/1014620222.db2.gz BIRFEUAZYBEFRC-QHCPKHFHSA-N 1 0 366.505 2.784 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877639425 1014656510 /nfs/dbraw/zinc/65/65/10/1014656510.db2.gz JNSBSBWPZOUEDT-CTNGQTDRSA-N 1 0 360.498 2.859 20 10 FFCDRO CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)c3ccc(O)c(O)c3O)C2)C1 ZINC001272043831 980590113 /nfs/dbraw/zinc/59/01/13/980590113.db2.gz LNGAMJCEBSAFPZ-CQSZACIVSA-N 1 0 362.470 2.778 20 10 FFCDRO CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 ZINC001272050131 980745781 /nfs/dbraw/zinc/74/57/81/980745781.db2.gz XKKPUDYLFQUXHM-AWEZNQCLSA-N 1 0 362.470 2.778 20 10 FFCDRO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000877713859 1014694900 /nfs/dbraw/zinc/69/49/00/1014694900.db2.gz GNRHRTFBTDHCNZ-HXUWFJFHSA-N 1 0 357.454 2.571 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2ccc3nc[nH]c(=O)c3n2)[NH+](C)C)cc1 ZINC000897521107 981422250 /nfs/dbraw/zinc/42/22/50/981422250.db2.gz CIZYENOOARQQRS-MRXNPFEDSA-N 1 0 352.442 2.511 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000877985381 1014797575 /nfs/dbraw/zinc/79/75/75/1014797575.db2.gz XUBKLAPXGMGMID-UNMCSNQZSA-N 1 0 370.493 2.692 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000877985379 1014797659 /nfs/dbraw/zinc/79/76/59/1014797659.db2.gz XUBKLAPXGMGMID-IRLDBZIGSA-N 1 0 370.493 2.692 20 10 FFCDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000910952456 982098448 /nfs/dbraw/zinc/09/84/48/982098448.db2.gz UOTXLXJYXJOPCJ-MRXNPFEDSA-N 1 0 358.413 2.765 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)cc1 ZINC000911277826 982186697 /nfs/dbraw/zinc/18/66/97/982186697.db2.gz XJZURJSXNACOHJ-POAQFYNOSA-N 1 0 357.498 2.655 20 10 FFCDRO COC(=O)C[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000898295567 982674344 /nfs/dbraw/zinc/67/43/44/982674344.db2.gz AOUPXOHLTUCCDL-MRXNPFEDSA-N 1 0 359.422 2.673 20 10 FFCDRO OCC1(C[C@H](O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCCC1 ZINC000878241573 1014940432 /nfs/dbraw/zinc/94/04/32/1014940432.db2.gz WTCSAPRLIFWRSR-RBUKOAKNSA-N 1 0 363.498 2.677 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H](O)CCC(C)C)CC2)cc(OC)c1OC ZINC000796448753 1014960865 /nfs/dbraw/zinc/96/08/65/1014960865.db2.gz HNOCRVUMCCFDRP-QGZVFWFLSA-N 1 0 366.502 2.632 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911633000 983859493 /nfs/dbraw/zinc/85/94/93/983859493.db2.gz ONANLMRPHPOKKT-UHFFFAOYSA-N 1 0 370.497 2.534 20 10 FFCDRO COc1cccc(C(F)(F)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911666058 983862830 /nfs/dbraw/zinc/86/28/30/983862830.db2.gz GZKCGTCJWPPVKC-QGZVFWFLSA-N 1 0 363.408 2.669 20 10 FFCDRO C[C@H](F)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107057143 983872641 /nfs/dbraw/zinc/87/26/41/983872641.db2.gz OKRFNBHSLFATNM-VNHYZAJKSA-N 1 0 363.437 2.895 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000763990865 984072954 /nfs/dbraw/zinc/07/29/54/984072954.db2.gz YDBOQLHCAGAGBM-LJQANCHMSA-N 1 0 359.514 2.746 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C2CC2)cc1C ZINC001483589701 984169557 /nfs/dbraw/zinc/16/95/57/984169557.db2.gz RFWPOWAPHUSMEY-XSYGEPLQSA-N 1 0 358.482 2.556 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1ccccn1 ZINC000156352210 984325376 /nfs/dbraw/zinc/32/53/76/984325376.db2.gz KCWYWZLFSHZOEX-UHFFFAOYSA-N 1 0 365.481 2.935 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1C1CCCC1)cc2=O ZINC000055927278 984398926 /nfs/dbraw/zinc/39/89/26/984398926.db2.gz ZHBQXELFXRMZQU-INIZCTEOSA-N 1 0 358.442 2.766 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765405069 985073531 /nfs/dbraw/zinc/07/35/31/985073531.db2.gz VRQRRZKVGAPZSG-HNNXBMFYSA-N 1 0 372.444 2.737 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COCc3ccccc3)CC2)cc1 ZINC000765730854 985391251 /nfs/dbraw/zinc/39/12/51/985391251.db2.gz HRNYXNGPXQMVNG-NRFANRHFSA-N 1 0 370.493 2.831 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)c2c1 ZINC000172934886 985718864 /nfs/dbraw/zinc/71/88/64/985718864.db2.gz PXYZUTNMVMXDCY-MRXNPFEDSA-N 1 0 356.466 2.708 20 10 FFCDRO OC[C@H]1CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001232974305 986348776 /nfs/dbraw/zinc/34/87/76/986348776.db2.gz KOAOBFKZGAMBHD-NSHDSACASA-N 1 0 361.223 2.591 20 10 FFCDRO COc1cccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000073677757 987049178 /nfs/dbraw/zinc/04/91/78/987049178.db2.gz DFOWKYCOFWPBHQ-HZPDHXFCSA-N 1 0 363.502 2.958 20 10 FFCDRO COC(=O)COc1ccccc1C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000922238702 988223155 /nfs/dbraw/zinc/22/31/55/988223155.db2.gz XILALFLMBWKMHQ-KRWDZBQOSA-N 1 0 370.449 2.616 20 10 FFCDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922432185 988600083 /nfs/dbraw/zinc/60/00/83/988600083.db2.gz OSYBAKWIWICUJN-UHFFFAOYSA-N 1 0 368.403 2.837 20 10 FFCDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000073721943 988711812 /nfs/dbraw/zinc/71/18/12/988711812.db2.gz FYZZNMKQQKCBDO-HXUWFJFHSA-N 1 0 374.529 2.539 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1F ZINC000174812061 988887615 /nfs/dbraw/zinc/88/76/15/988887615.db2.gz PWWFITFAWUQPCN-QGZVFWFLSA-N 1 0 360.477 2.828 20 10 FFCDRO CC[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000153812976 989729862 /nfs/dbraw/zinc/72/98/62/989729862.db2.gz CJEVBXYZPJGKKG-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cn1 ZINC000917140037 990156315 /nfs/dbraw/zinc/15/63/15/990156315.db2.gz IDUAYOISASFNOE-UHFFFAOYSA-N 1 0 366.387 2.930 20 10 FFCDRO O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922987774 990781345 /nfs/dbraw/zinc/78/13/45/990781345.db2.gz JGLUCKKELSXADV-RTWAWAEBSA-N 1 0 356.441 2.800 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)cc1 ZINC000920921590 990933240 /nfs/dbraw/zinc/93/32/40/990933240.db2.gz MSFJZYISVDACNQ-VDGAXYAQSA-N 1 0 372.513 2.510 20 10 FFCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@H](O)CN1CCOCC1 ZINC000179645465 991306416 /nfs/dbraw/zinc/30/64/16/991306416.db2.gz BNJKVBNPAULXAP-GHTZIAJQSA-N 1 0 370.493 2.649 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000879651289 1015625970 /nfs/dbraw/zinc/62/59/70/1015625970.db2.gz QHHULRQUCOBILB-LSDHHAIUSA-N 1 0 370.449 2.561 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@H](C[NH3+])C2)CCCC1 ZINC000652558487 1015629849 /nfs/dbraw/zinc/62/98/49/1015629849.db2.gz ZGZHROPYXVHLLZ-OAHLLOKOSA-N 1 0 355.482 2.726 20 10 FFCDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180215473 991456259 /nfs/dbraw/zinc/45/62/59/991456259.db2.gz APOYLTZLRBHFIJ-CQSZACIVSA-N 1 0 359.449 2.620 20 10 FFCDRO COc1cccc(CN2CCN(C(=O)OCc3ccccc3)CC2)c1O ZINC000127968830 1015661983 /nfs/dbraw/zinc/66/19/83/1015661983.db2.gz QUPOXXDDGOEGDA-UHFFFAOYSA-N 1 0 356.422 2.855 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C(C)(C)C)c1 ZINC000182448351 992052839 /nfs/dbraw/zinc/05/28/39/992052839.db2.gz IJRUUEUMFSTNLI-CYBMUJFWSA-N 1 0 360.458 2.950 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000182467227 992062112 /nfs/dbraw/zinc/06/21/12/992062112.db2.gz VMUNIWYFLZFBPN-KBPBESRZSA-N 1 0 356.422 2.973 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ocnc3C)C2)cc1C ZINC001086667379 994178880 /nfs/dbraw/zinc/17/88/80/994178880.db2.gz GIXCAACCPZAGJT-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCCCO3)C2)cc1C ZINC001086674839 994574604 /nfs/dbraw/zinc/57/46/04/994574604.db2.gz WQDZZAUHPHYGCQ-NLWGTHIKSA-N 1 0 360.498 2.947 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1c1ccccc1 ZINC000810165245 994713942 /nfs/dbraw/zinc/71/39/42/994713942.db2.gz MYUDDDSIWBXFGU-KNQAVFIVSA-N 1 0 370.468 2.918 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593298876 994718015 /nfs/dbraw/zinc/71/80/15/994718015.db2.gz OIKHEVFSJWUADO-OAHLLOKOSA-N 1 0 369.465 2.693 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]2C)cc1C ZINC001082497195 994723114 /nfs/dbraw/zinc/72/31/14/994723114.db2.gz AGMBPWLIFXCION-SYAUCNOPSA-N 1 0 352.425 2.841 20 10 FFCDRO O=C(NC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)C(F)(F)F ZINC000811786572 995260544 /nfs/dbraw/zinc/26/05/44/995260544.db2.gz RORATTMDQJBIBG-GFCCVEGCSA-N 1 0 367.371 2.831 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)c3cncnc3)C[C@H]2C)cc1C ZINC001082702129 995276558 /nfs/dbraw/zinc/27/65/58/995276558.db2.gz QWPMCECJSRPYOE-JTDSTZFVSA-N 1 0 368.481 2.534 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000812294308 995408020 /nfs/dbraw/zinc/40/80/20/995408020.db2.gz JZJCHIMOXICULI-OAHLLOKOSA-N 1 0 351.406 2.976 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C)cc2F)CC1 ZINC000730126741 996857925 /nfs/dbraw/zinc/85/79/25/996857925.db2.gz RWDQYGUVWZHFCO-YJBOKZPZSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(C[NH+](C)C)CC3)C2)cc1 ZINC000824693990 997059297 /nfs/dbraw/zinc/05/92/97/997059297.db2.gz OEDJKEORTLNZKL-SFHVURJKSA-N 1 0 374.529 2.505 20 10 FFCDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC001136929105 997071636 /nfs/dbraw/zinc/07/16/36/997071636.db2.gz JKENRSILPCYAOB-KUHUBIRLSA-N 1 0 360.479 2.901 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000824832477 997119854 /nfs/dbraw/zinc/11/98/54/997119854.db2.gz YOCKIPQWXLETRZ-OCCSQVGLSA-N 1 0 372.387 2.634 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000824900631 997126914 /nfs/dbraw/zinc/12/69/14/997126914.db2.gz CNVPIAMNRKEZOG-MRXNPFEDSA-N 1 0 362.514 2.852 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000844176298 997694828 /nfs/dbraw/zinc/69/48/28/997694828.db2.gz NXRLDKHUCWTQLR-QGZVFWFLSA-N 1 0 367.493 2.776 20 10 FFCDRO CC[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC[NH2+]1 ZINC000844178321 997696449 /nfs/dbraw/zinc/69/64/49/997696449.db2.gz ONSYJHNGLXPBFR-IBGZPJMESA-N 1 0 367.440 2.905 20 10 FFCDRO O=C(C1CCC1)N(CCC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000731360736 997857038 /nfs/dbraw/zinc/85/70/38/997857038.db2.gz MJSNXYHFOASOCT-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cn2nccc2-c2cccnc2)cc1 ZINC000844725558 998097172 /nfs/dbraw/zinc/09/71/72/998097172.db2.gz MMMWNZFYEMQUAM-UHFFFAOYSA-N 1 0 351.454 2.979 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2F)C[C@@H](C)O1 ZINC000731871026 998314450 /nfs/dbraw/zinc/31/44/50/998314450.db2.gz UROOJILDXDKFPM-CLCXKQKWSA-N 1 0 363.477 2.540 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001144500049 998608756 /nfs/dbraw/zinc/60/87/56/998608756.db2.gz NWGMAULGMGBVMD-OLZOCXBDSA-N 1 0 366.458 2.786 20 10 FFCDRO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514801 998625773 /nfs/dbraw/zinc/62/57/73/998625773.db2.gz SLUKXBHLHDKPMZ-NEPJUHHUSA-N 1 0 352.431 2.681 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(O)c1 ZINC001144515493 998627674 /nfs/dbraw/zinc/62/76/74/998627674.db2.gz QGBWYPADTQHDER-UHFFFAOYSA-N 1 0 351.406 2.674 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nccc(C)n2)cc1C ZINC001085185975 999087911 /nfs/dbraw/zinc/08/79/11/999087911.db2.gz VCGMLVSGAYFHEM-QZTJIDSGSA-N 1 0 368.481 2.933 20 10 FFCDRO COc1ccc(O)c(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1 ZINC000738954749 999636888 /nfs/dbraw/zinc/63/68/88/999636888.db2.gz JPOUUPYTIBLFHQ-UHFFFAOYSA-N 1 0 373.453 2.971 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000741775420 999741505 /nfs/dbraw/zinc/74/15/05/999741505.db2.gz UDEODUZAMHYOPM-HXUWFJFHSA-N 1 0 369.513 2.894 20 10 FFCDRO COCCOC[C@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000743380969 999815812 /nfs/dbraw/zinc/81/58/12/999815812.db2.gz WUZZVQTZMFNOKO-HNNXBMFYSA-N 1 0 373.449 2.817 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086435614 999914161 /nfs/dbraw/zinc/91/41/61/999914161.db2.gz YXYXQLPUTLZAEE-MKXGPGLRSA-N 1 0 360.498 2.803 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1cc(CC[NH3+])cn1)N=[N+]=[N-] ZINC001168947112 1000010951 /nfs/dbraw/zinc/01/09/51/1000010951.db2.gz RBMSDKHPEYMBJX-NVNXTCNLSA-N 1 0 355.402 2.600 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000691438691 1000111868 /nfs/dbraw/zinc/11/18/68/1000111868.db2.gz RESZZDGYMPGXBW-MRXNPFEDSA-N 1 0 350.459 2.680 20 10 FFCDRO COc1cc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000845926305 1000185447 /nfs/dbraw/zinc/18/54/47/1000185447.db2.gz PFRGTEHZKCRCBY-UHFFFAOYSA-N 1 0 360.429 2.969 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c(O)c1 ZINC000768215169 1000195973 /nfs/dbraw/zinc/19/59/73/1000195973.db2.gz QUECEWJREWPPMW-UHFFFAOYSA-N 1 0 366.465 2.756 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000846138213 1000217632 /nfs/dbraw/zinc/21/76/32/1000217632.db2.gz UYBPJRGBYSAADW-WMZOPIPTSA-N 1 0 356.466 2.952 20 10 FFCDRO Cc1cccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)c1C ZINC000768438537 1000248979 /nfs/dbraw/zinc/24/89/79/1000248979.db2.gz UGKJENGKGCRSAZ-HXUWFJFHSA-N 1 0 354.450 2.757 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465522 1000263097 /nfs/dbraw/zinc/26/30/97/1000263097.db2.gz ILVMLQSCWFHESS-FXAWDEMLSA-N 1 0 354.450 2.524 20 10 FFCDRO C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000768466702 1000265066 /nfs/dbraw/zinc/26/50/66/1000265066.db2.gz VBNWVMZKIHYAMN-HRAATJIYSA-N 1 0 368.477 2.914 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000846696878 1000412628 /nfs/dbraw/zinc/41/26/28/1000412628.db2.gz IZSWRINZXACESN-HLVUACMISA-N 1 0 359.514 2.743 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846809683 1000446259 /nfs/dbraw/zinc/44/62/59/1000446259.db2.gz SBXAIPATGOFDMK-HXUWFJFHSA-N 1 0 364.486 2.976 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)cc2)CC1 ZINC000846937002 1000483019 /nfs/dbraw/zinc/48/30/19/1000483019.db2.gz QBSTYDYNDPWFQA-NRFANRHFSA-N 1 0 373.541 2.598 20 10 FFCDRO COc1cccc(O)c1CN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000769301042 1000488180 /nfs/dbraw/zinc/48/81/80/1000488180.db2.gz GEAZOUPRLDLKEH-UHFFFAOYSA-N 1 0 354.450 2.596 20 10 FFCDRO CCOc1ccc(C[N@H+](CCO)Cc2ccc(OC)cc2OC)c(O)c1 ZINC000769404158 1000507204 /nfs/dbraw/zinc/50/72/04/1000507204.db2.gz OIDFVBZZGOKGPJ-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000770381936 1000758047 /nfs/dbraw/zinc/75/80/47/1000758047.db2.gz QKSHWEHVEFEPDM-IBGZPJMESA-N 1 0 352.482 2.956 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000771757328 1001197672 /nfs/dbraw/zinc/19/76/72/1001197672.db2.gz RYMYRZMHHVCSQQ-GOSISDBHSA-N 1 0 371.481 2.559 20 10 FFCDRO Cn1c(=O)ccc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC000785535385 1001450288 /nfs/dbraw/zinc/45/02/88/1001450288.db2.gz UTVTWBJFXOGJPY-UHFFFAOYSA-N 1 0 362.477 2.902 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000788203874 1001771884 /nfs/dbraw/zinc/77/18/84/1001771884.db2.gz CQTPNTQYXZPGMA-OAQYLSRUSA-N 1 0 355.482 2.623 20 10 FFCDRO C[C@@H](NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000789214276 1001996402 /nfs/dbraw/zinc/99/64/02/1001996402.db2.gz VUBWYKWHCPZZOC-IXDOHACOSA-N 1 0 362.518 2.564 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCO[C@H]2CC2(F)F)c2cc(F)ccc2n1C ZINC001182796449 1002041796 /nfs/dbraw/zinc/04/17/96/1002041796.db2.gz VFTLZVLEDMCYNE-AWEZNQCLSA-N 1 0 356.344 2.618 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c1O ZINC001184087958 1002487601 /nfs/dbraw/zinc/48/76/01/1002487601.db2.gz GFRVCIILEWGSJH-HXUWFJFHSA-N 1 0 364.486 2.806 20 10 FFCDRO COC1(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000790840001 1002493162 /nfs/dbraw/zinc/49/31/62/1002493162.db2.gz YCFSCMAZQFPKKN-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO CCc1cc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc(CC)n1 ZINC001185088419 1002796443 /nfs/dbraw/zinc/79/64/43/1002796443.db2.gz FRQWAWVZWLRMPO-UHFFFAOYSA-N 1 0 369.513 2.844 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1O ZINC000772798442 1003020056 /nfs/dbraw/zinc/02/00/56/1003020056.db2.gz RKDOKWCBWPSIIE-UHFFFAOYSA-N 1 0 355.482 2.987 20 10 FFCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000793594544 1003433169 /nfs/dbraw/zinc/43/31/69/1003433169.db2.gz FEPUQUBDRBFQPE-OAQYLSRUSA-N 1 0 371.433 2.726 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)OC[C@H]1CCCO1 ZINC000805052462 1003930413 /nfs/dbraw/zinc/93/04/13/1003930413.db2.gz KOPIYTVULGXQAA-HXUWFJFHSA-N 1 0 373.497 2.624 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1O ZINC000775489747 1003993021 /nfs/dbraw/zinc/99/30/21/1003993021.db2.gz RLZCWCITIODRHT-MAUKXSAKSA-N 1 0 370.449 2.758 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC001197096024 1004065046 /nfs/dbraw/zinc/06/50/46/1004065046.db2.gz PELYAINIRNYSLJ-FQEVSTJZSA-N 1 0 356.466 2.868 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775831049 1004528133 /nfs/dbraw/zinc/52/81/33/1004528133.db2.gz OMFWDMNSDBOLLV-PBHICJAKSA-N 1 0 359.426 2.751 20 10 FFCDRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837848 1004564249 /nfs/dbraw/zinc/56/42/49/1004564249.db2.gz UTLNDSALDHVMCS-AWEZNQCLSA-N 1 0 370.453 2.760 20 10 FFCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775836021 1004564503 /nfs/dbraw/zinc/56/45/03/1004564503.db2.gz XIOFTGWENJYOSN-QRWLVFNGSA-N 1 0 371.481 2.802 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833979 1004571479 /nfs/dbraw/zinc/57/14/79/1004571479.db2.gz NPCDBRQBTBBLSC-OXJNMPFZSA-N 1 0 358.482 2.990 20 10 FFCDRO CN(C)c1cc[nH+]cc1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001199351913 1004908552 /nfs/dbraw/zinc/90/85/52/1004908552.db2.gz NOLQLGLMODOIOY-UHFFFAOYSA-N 1 0 356.813 2.985 20 10 FFCDRO COC(=O)CCC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001202283104 1005333987 /nfs/dbraw/zinc/33/39/87/1005333987.db2.gz AZZPVGARDOHOEC-UHFFFAOYSA-N 1 0 369.465 2.736 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccccc3F)cc2F)CC1 ZINC000106701942 1005356619 /nfs/dbraw/zinc/35/66/19/1005356619.db2.gz CUOFPTSLSMKKKB-UHFFFAOYSA-N 1 0 373.447 2.966 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000850034294 1005780086 /nfs/dbraw/zinc/78/00/86/1005780086.db2.gz KLJMJAAWMYUVHB-IUKJFTNHSA-N 1 0 364.461 2.727 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc4c(cc3OC)OCO4)C2)cc1 ZINC000850347166 1005808893 /nfs/dbraw/zinc/80/88/93/1005808893.db2.gz OZXDWMRARFQXTA-HNNXBMFYSA-N 1 0 356.422 2.801 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3-c3ccncc3)C2)cc1 ZINC000850345680 1005808913 /nfs/dbraw/zinc/80/89/13/1005808913.db2.gz HSYANOYUDKHBOW-SFHVURJKSA-N 1 0 363.465 2.859 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000850406595 1005813767 /nfs/dbraw/zinc/81/37/67/1005813767.db2.gz MTCJHKIXMSXWBM-KNBMTAEXSA-N 1 0 360.498 2.715 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000850418575 1005814452 /nfs/dbraw/zinc/81/44/52/1005814452.db2.gz MXWWCFPFHMQJHY-GOSISDBHSA-N 1 0 366.383 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000850486584 1005818319 /nfs/dbraw/zinc/81/83/19/1005818319.db2.gz BXYPFCPMFVJFMX-SFHVURJKSA-N 1 0 352.482 2.928 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851656510 1005903457 /nfs/dbraw/zinc/90/34/57/1005903457.db2.gz LMSWNCSQLUJCGZ-FQEVSTJZSA-N 1 0 368.525 2.984 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898639 1005921137 /nfs/dbraw/zinc/92/11/37/1005921137.db2.gz WNNBGVQMNWEHLE-LWCVALJOSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000852455237 1006035227 /nfs/dbraw/zinc/03/52/27/1006035227.db2.gz SZEBDYJSJSYVJA-IEBWSBKVSA-N 1 0 372.513 2.544 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852597405 1006096613 /nfs/dbraw/zinc/09/66/13/1006096613.db2.gz RHISJWCTSRVCKI-QUCCMNQESA-N 1 0 359.514 2.650 20 10 FFCDRO O[C@@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccn1 ZINC000853098303 1006295785 /nfs/dbraw/zinc/29/57/85/1006295785.db2.gz MLLJMPRTIAFZJA-SFHVURJKSA-N 1 0 363.408 2.975 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000854002970 1006624799 /nfs/dbraw/zinc/62/47/99/1006624799.db2.gz DNRDYIIZVVKLSS-FXAWDEMLSA-N 1 0 374.529 2.710 20 10 FFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000883085424 1006635881 /nfs/dbraw/zinc/63/58/81/1006635881.db2.gz QSWDVFQSIKIGCX-SFHVURJKSA-N 1 0 362.420 2.917 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H]3c4ccccc4OC[C@H]3F)cc2)CC1 ZINC000883290753 1006736552 /nfs/dbraw/zinc/73/65/52/1006736552.db2.gz FXFOTZMWNQHTAP-CTNGQTDRSA-N 1 0 355.457 3.000 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)cc1F ZINC000775201002 1006739215 /nfs/dbraw/zinc/73/92/15/1006739215.db2.gz ABROJEFHOFMQLZ-ZWKOTPCHSA-N 1 0 368.493 2.518 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)cc1 ZINC000854299846 1006765345 /nfs/dbraw/zinc/76/53/45/1006765345.db2.gz SGRLBFBYTFUPBX-QGZVFWFLSA-N 1 0 372.513 2.544 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000775371062 1007537523 /nfs/dbraw/zinc/53/75/23/1007537523.db2.gz SASASOJKTDHOTI-GOEBONIOSA-N 1 0 361.438 2.638 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1 ZINC000817423691 1007601466 /nfs/dbraw/zinc/60/14/66/1007601466.db2.gz QIVOVVUDCDEJGO-OTWHNJEPSA-N 1 0 371.525 2.760 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000856211006 1007726250 /nfs/dbraw/zinc/72/62/50/1007726250.db2.gz VVZBPTYCXKWTOO-BRWVUGGUSA-N 1 0 359.514 2.525 20 10 FFCDRO COc1ccc(N2CCN(CCN[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000817894943 1007801821 /nfs/dbraw/zinc/80/18/21/1007801821.db2.gz PJNFEJFEUHLDKL-FCHUYYIVSA-N 1 0 366.509 2.552 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817944228 1007820358 /nfs/dbraw/zinc/82/03/58/1007820358.db2.gz YDWYUZSXYJIZIN-KURKYZTESA-N 1 0 372.473 2.631 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000818117212 1007867576 /nfs/dbraw/zinc/86/75/76/1007867576.db2.gz WIFRRWNJFOZBNK-UTKZUKDTSA-N 1 0 367.493 2.941 20 10 FFCDRO CC[NH2+]CC1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818658333 1007961555 /nfs/dbraw/zinc/96/15/55/1007961555.db2.gz QGVMWBFVBIXUQZ-GOSISDBHSA-N 1 0 374.529 2.553 20 10 FFCDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000818953108 1007991737 /nfs/dbraw/zinc/99/17/37/1007991737.db2.gz BRRGYTPZOVIGPE-UHFFFAOYSA-N 1 0 360.498 2.861 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)cc1 ZINC000857062843 1008048569 /nfs/dbraw/zinc/04/85/69/1008048569.db2.gz OBTQMJRPVUZOGC-NYPGBQQYSA-N 1 0 354.498 2.945 20 10 FFCDRO C[C@H]1C[C@H](C)C[NH+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164870 1008053648 /nfs/dbraw/zinc/05/36/48/1008053648.db2.gz MYUWTWYPELCZRE-IRXDYDNUSA-N 1 0 373.497 2.915 20 10 FFCDRO COc1cc2c(cc1NC[C@H](O)CN1CC[NH+](C)CC1)oc1ccccc12 ZINC000819398805 1008116054 /nfs/dbraw/zinc/11/60/54/1008116054.db2.gz QGXDXQHATQUPNF-HNNXBMFYSA-N 1 0 369.465 2.615 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819642199 1008203668 /nfs/dbraw/zinc/20/36/68/1008203668.db2.gz NFNIZFKAIFBRKM-HKBUGEINSA-N 1 0 364.445 2.844 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000819696399 1008208245 /nfs/dbraw/zinc/20/82/45/1008208245.db2.gz SHNYXKZJFUNLBP-INIZCTEOSA-N 1 0 362.470 2.548 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000819825326 1008238021 /nfs/dbraw/zinc/23/80/21/1008238021.db2.gz RRUGRYUCLLUIHG-PMACEKPBSA-N 1 0 367.493 2.684 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCC34CC4)CC2)cc1 ZINC000858179662 1008318574 /nfs/dbraw/zinc/31/85/74/1008318574.db2.gz DNRJIGFPAGQRJP-HXUWFJFHSA-N 1 0 371.525 2.904 20 10 FFCDRO Fc1cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)ccc1N1CCOCC1 ZINC000858209384 1008325052 /nfs/dbraw/zinc/32/50/52/1008325052.db2.gz JQWCAVJHKSZOSZ-INIZCTEOSA-N 1 0 372.366 2.752 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c2c1c(F)ccc2O ZINC000858565613 1008383228 /nfs/dbraw/zinc/38/32/28/1008383228.db2.gz VHKIOTDZWDBBTD-KYJSFNMBSA-N 1 0 371.456 2.965 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000859364630 1008507324 /nfs/dbraw/zinc/50/73/24/1008507324.db2.gz LFOPSSFKVNPMAF-HNNXBMFYSA-N 1 0 355.482 2.906 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000859379683 1008508627 /nfs/dbraw/zinc/50/86/27/1008508627.db2.gz PBOZAUGVNRLQPP-KRWDZBQOSA-N 1 0 353.466 2.930 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2F)cc1Cn1cccn1 ZINC000886236335 1008607568 /nfs/dbraw/zinc/60/75/68/1008607568.db2.gz DXRQSJJKAXBDHP-IBGZPJMESA-N 1 0 369.440 2.772 20 10 FFCDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886325028 1008637000 /nfs/dbraw/zinc/63/70/00/1008637000.db2.gz QOTZUXYDVZLMAH-QUCCMNQESA-N 1 0 359.514 2.826 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000886324634 1008637891 /nfs/dbraw/zinc/63/78/91/1008637891.db2.gz AJEUSMCEEYSDHJ-LJQANCHMSA-N 1 0 371.525 2.970 20 10 FFCDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177707084 1008721658 /nfs/dbraw/zinc/72/16/58/1008721658.db2.gz GEQMLSDOADBQMN-ZDUSSCGKSA-N 1 0 363.399 2.635 20 10 FFCDRO C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886536685 1008723482 /nfs/dbraw/zinc/72/34/82/1008723482.db2.gz NAXDVBPZZHNSGD-AWEZNQCLSA-N 1 0 365.493 2.809 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCOC1 ZINC000886751442 1008858897 /nfs/dbraw/zinc/85/88/97/1008858897.db2.gz QSYMDOQWYDJOAS-QUCCMNQESA-N 1 0 359.514 2.683 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1C ZINC001178180949 1008899003 /nfs/dbraw/zinc/89/90/03/1008899003.db2.gz NOLPYNAZPYECSC-DLBZAZTESA-N 1 0 354.516 2.591 20 10 FFCDRO CCO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC000860534461 1009050985 /nfs/dbraw/zinc/05/09/85/1009050985.db2.gz CWWBNSFWULMZKO-OAQYLSRUSA-N 1 0 373.541 2.896 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccncc3F)CC2)cc1 ZINC000823602946 1009139206 /nfs/dbraw/zinc/13/92/06/1009139206.db2.gz VXVUGSBGIURJAV-UHFFFAOYSA-N 1 0 358.461 2.531 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000823692289 1009175198 /nfs/dbraw/zinc/17/51/98/1009175198.db2.gz APGDEGDLGAJZRU-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000823776107 1009223888 /nfs/dbraw/zinc/22/38/88/1009223888.db2.gz KEWABGLBOKITDI-JXFKEZNVSA-N 1 0 357.498 2.655 20 10 FFCDRO CC[NH+](CC)CC[C@@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC001179067711 1009247415 /nfs/dbraw/zinc/24/74/15/1009247415.db2.gz VXOYHMLUKWQTNE-INIZCTEOSA-N 1 0 352.519 2.881 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000861801815 1009563369 /nfs/dbraw/zinc/56/33/69/1009563369.db2.gz ANBZOOHSISEITJ-OAHLLOKOSA-N 1 0 355.482 2.763 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(N)cc1F ZINC001180180382 1009574757 /nfs/dbraw/zinc/57/47/57/1009574757.db2.gz YWLDHSPAWYZBDY-LJQANCHMSA-N 1 0 358.461 2.815 20 10 FFCDRO CCN(C)c1ccc(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773848968 1009630518 /nfs/dbraw/zinc/63/05/18/1009630518.db2.gz QUUMZHMZCOGZJS-GOSISDBHSA-N 1 0 363.502 2.868 20 10 FFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182009383 1010359767 /nfs/dbraw/zinc/35/97/67/1010359767.db2.gz UZBVWMFNLBNXOF-LYUIPNBVSA-N 1 0 350.426 2.947 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001182154899 1010402726 /nfs/dbraw/zinc/40/27/26/1010402726.db2.gz QHTPCXKONYUHTL-UHFFFAOYSA-N 1 0 358.482 2.897 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2C)cc1C ZINC001093758937 1010529188 /nfs/dbraw/zinc/52/91/88/1010529188.db2.gz DHXHHXJBFMMZHR-FVQBIDKESA-N 1 0 352.425 2.843 20 10 FFCDRO CCc1nc[nH]c1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001094195664 1010959239 /nfs/dbraw/zinc/95/92/39/1010959239.db2.gz YSUAMEFZCLVPIU-NVXWUHKLSA-N 1 0 370.497 2.787 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]2C)cc1C ZINC001094259620 1011011536 /nfs/dbraw/zinc/01/15/36/1011011536.db2.gz LREPVOIWXSKJHZ-RHSMWYFYSA-N 1 0 356.470 2.533 20 10 FFCDRO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1O ZINC000868490625 1011333701 /nfs/dbraw/zinc/33/37/01/1011333701.db2.gz YALUPZPXJKPXCF-MAUKXSAKSA-N 1 0 369.465 2.519 20 10 FFCDRO COCCc1noc(CN(C)Cc2c(O)ccc3ccc(OC)cc32)n1 ZINC000122549262 1011747165 /nfs/dbraw/zinc/74/71/65/1011747165.db2.gz KVGCOZVUOOPKGB-UHFFFAOYSA-N 1 0 357.410 2.758 20 10 FFCDRO O=C(CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1O)c1cccs1 ZINC001275231532 1012112206 /nfs/dbraw/zinc/11/22/06/1012112206.db2.gz BYFXSGSPTDTCNA-HZPDHXFCSA-N 1 0 370.474 2.902 20 10 FFCDRO Cc1noc(C)c1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001275232513 1012115086 /nfs/dbraw/zinc/11/50/86/1012115086.db2.gz RITYFGSULGRIFQ-FQEVSTJZSA-N 1 0 355.438 2.764 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)ccc1O)C2 ZINC001275237588 1012126202 /nfs/dbraw/zinc/12/62/02/1012126202.db2.gz CMONNHBYWWGFOK-NRFANRHFSA-N 1 0 358.482 2.718 20 10 FFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001275241748 1012128246 /nfs/dbraw/zinc/12/82/46/1012128246.db2.gz LTFOPEZQCQQYFB-FQEVSTJZSA-N 1 0 360.454 2.542 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cnoc2)C3)c1 ZINC001275239378 1012132315 /nfs/dbraw/zinc/13/23/15/1012132315.db2.gz YHJVSOKFLBTZQD-HXUWFJFHSA-N 1 0 355.438 2.846 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1Cc1ncccn1 ZINC001275254517 1012147123 /nfs/dbraw/zinc/14/71/23/1012147123.db2.gz ROUMKMOBQJXTQU-HZPDHXFCSA-N 1 0 372.856 2.601 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4cc[nH]c4)C3)C2=O)cc1 ZINC001275265380 1012174269 /nfs/dbraw/zinc/17/42/69/1012174269.db2.gz JIBNJYHHTHEMIR-OAQYLSRUSA-N 1 0 352.482 2.705 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3O)CC2=O)c(OC)c1 ZINC001173017968 1012189631 /nfs/dbraw/zinc/18/96/31/1012189631.db2.gz OISSWXLKRVRCML-QGZVFWFLSA-N 1 0 370.449 2.690 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cnoc2)C3)c(O)c1 ZINC001275388931 1012406201 /nfs/dbraw/zinc/40/62/01/1012406201.db2.gz ZCZRFSCUERWPJY-FQEVSTJZSA-N 1 0 355.438 2.846 20 10 FFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cc(OC)cc2OC)C1=O ZINC001275437274 1012460830 /nfs/dbraw/zinc/46/08/30/1012460830.db2.gz VIUFYMKBUDOVNL-HXUWFJFHSA-N 1 0 362.470 2.776 20 10 FFCDRO CCN1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)C1 ZINC001173356488 1012482992 /nfs/dbraw/zinc/48/29/92/1012482992.db2.gz BAZSMYIMFNGCIQ-UNMCSNQZSA-N 1 0 373.541 2.708 20 10 FFCDRO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001173407739 1012534000 /nfs/dbraw/zinc/53/40/00/1012534000.db2.gz YNRZXGNETAGJCM-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000870861111 1012610646 /nfs/dbraw/zinc/61/06/46/1012610646.db2.gz DTWOZHWDHGJGLT-GGPKGHCWSA-N 1 0 359.514 2.778 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173763473 1012955507 /nfs/dbraw/zinc/95/55/07/1012955507.db2.gz HAGMKACUMQNLHZ-GJZGRUSLSA-N 1 0 366.469 2.715 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCN(C4COC4)C3=O)CC2)c1O ZINC001275774867 1012992857 /nfs/dbraw/zinc/99/28/57/1012992857.db2.gz LKUOPAIRRKBNMU-NRFANRHFSA-N 1 0 358.482 2.612 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)c1O ZINC001275774868 1012993009 /nfs/dbraw/zinc/99/30/09/1012993009.db2.gz LKUOPAIRRKBNMU-OAQYLSRUSA-N 1 0 358.482 2.612 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000827294533 1017517221 /nfs/dbraw/zinc/51/72/21/1017517221.db2.gz CQRDYVFQESTGMT-QFIPXVFZSA-N 1 0 373.541 2.598 20 10 FFCDRO C[C@H]([NH3+])[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000925503495 1017769961 /nfs/dbraw/zinc/76/99/61/1017769961.db2.gz NIJCTQJHNQVUDR-BTYIYWSLSA-N 1 0 357.473 2.965 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H](C)[NH3+] ZINC000827365747 1017782163 /nfs/dbraw/zinc/78/21/63/1017782163.db2.gz WUAUDWPGVNFTLS-BKEDOTJMSA-N 1 0 365.493 2.675 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cc2)CC1 ZINC000827411434 1017947133 /nfs/dbraw/zinc/94/71/33/1017947133.db2.gz UQSVURURNBLCLM-UHFFFAOYSA-N 1 0 371.525 2.792 20 10 FFCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001222081679 1032744009 /nfs/dbraw/zinc/74/40/09/1032744009.db2.gz ZMSOQJGYRKFLRP-GOSISDBHSA-N 1 0 358.413 2.535 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000926874201 1018276800 /nfs/dbraw/zinc/27/68/00/1018276800.db2.gz QOTYVBBHEMHDOO-TZIWHRDSSA-N 1 0 371.525 2.683 20 10 FFCDRO CC1=NO[C@@](C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001137440254 1018460665 /nfs/dbraw/zinc/46/06/65/1018460665.db2.gz REMDDAQAPAUQAO-CRAIPNDOSA-N 1 0 365.861 2.681 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222148067 1032788815 /nfs/dbraw/zinc/78/88/15/1032788815.db2.gz IXGNANNUKMZFMX-NRFANRHFSA-N 1 0 355.482 2.931 20 10 FFCDRO O=C(COC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(O)c(O)c1 ZINC000801869260 1019465867 /nfs/dbraw/zinc/46/58/67/1019465867.db2.gz YRSSJNGKKPUQAF-UHFFFAOYSA-N 1 0 355.390 2.733 20 10 FFCDRO C[C@H](C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000725891727 1020283584 /nfs/dbraw/zinc/28/35/84/1020283584.db2.gz RJWBPNRHUZQMHF-XWTMOSNGSA-N 1 0 359.514 2.962 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000902763833 1020459698 /nfs/dbraw/zinc/45/96/98/1020459698.db2.gz ZZNZAAWZLZHPJN-VNXMGFANSA-N 1 0 356.510 2.798 20 10 FFCDRO O=C1c2cccc(O[C@H]3CCC[NH2+]C[C@@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217951450 1032915436 /nfs/dbraw/zinc/91/54/36/1032915436.db2.gz RQYZUKHCXDENIQ-ZFWWWQNUSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003048 1032940926 /nfs/dbraw/zinc/94/09/26/1032940926.db2.gz HVMUBRJAGDAYEI-IBGZPJMESA-N 1 0 352.434 2.817 20 10 FFCDRO C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000829003104 1032940995 /nfs/dbraw/zinc/94/09/95/1032940995.db2.gz JAXKDPQQJHULFY-ZHALLVOQSA-N 1 0 360.498 2.926 20 10 FFCDRO COc1ccc(-n2c(C)cc(CN(C)C(=S)NCC[NH+](C)C)c2C)cc1 ZINC000749831635 1021048700 /nfs/dbraw/zinc/04/87/00/1021048700.db2.gz GKYGOTHTSSQPAZ-UHFFFAOYSA-N 1 0 374.554 2.971 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218023434 1032958035 /nfs/dbraw/zinc/95/80/35/1032958035.db2.gz IHCKPQQBDDHXSQ-BLLLJJGKSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3C[C@H](C)c4c3c(O)ccc4C)C2=O)n(C)n1 ZINC001116588369 1021296871 /nfs/dbraw/zinc/29/68/71/1021296871.db2.gz DHUSKTLBWSLKAP-QEJZJMRPSA-N 1 0 354.454 2.686 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+]C[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218068253 1032977176 /nfs/dbraw/zinc/97/71/76/1032977176.db2.gz DNLSIJCJJXFSJA-GDBMZVCRSA-N 1 0 355.365 2.555 20 10 FFCDRO CC(C)C[N@H+](CCN(C)C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117592705 1021769787 /nfs/dbraw/zinc/76/97/87/1021769787.db2.gz XDFFTPJDIPXQQP-UHFFFAOYSA-N 1 0 350.526 2.597 20 10 FFCDRO CN1CCN(c2ccc(CNc3c[nH+]ccc3-n3cccn3)cc2F)CC1 ZINC001117627167 1021785107 /nfs/dbraw/zinc/78/51/07/1021785107.db2.gz RXIPNIRTPHOMPK-UHFFFAOYSA-N 1 0 366.444 2.770 20 10 FFCDRO Cc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218116272 1033003584 /nfs/dbraw/zinc/00/35/84/1033003584.db2.gz JDPYZVNJLYCJEP-JTSKRJEESA-N 1 0 363.413 2.997 20 10 FFCDRO O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@@H]3CCC[NH2+]C3)c21 ZINC001218284480 1033086090 /nfs/dbraw/zinc/08/60/90/1033086090.db2.gz ZZUZPTAWPDKPKX-CXAGYDPISA-N 1 0 371.389 2.641 20 10 FFCDRO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276781078 1033100293 /nfs/dbraw/zinc/10/02/93/1033100293.db2.gz TVIWHFMVYZMFTK-FQEVSTJZSA-N 1 0 360.454 2.561 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]CC2(O)CCC2)NC(=O)OC(C)(C)C)cc1 ZINC001120481542 1023337543 /nfs/dbraw/zinc/33/75/43/1023337543.db2.gz QQRHMZQKCYDUTG-KRWDZBQOSA-N 1 0 363.502 2.823 20 10 FFCDRO OCCCC[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753545455 1023350144 /nfs/dbraw/zinc/35/01/44/1023350144.db2.gz FLBUHURTFSOCSD-UHFFFAOYSA-N 1 0 370.493 2.861 20 10 FFCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(N)cc1 ZINC001120592046 1023374802 /nfs/dbraw/zinc/37/48/02/1023374802.db2.gz PWUBQKASYAQJSB-LJQANCHMSA-N 1 0 352.482 2.932 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000755121953 1023567418 /nfs/dbraw/zinc/56/74/18/1023567418.db2.gz YEIOKZOUIICTHF-WCJKSRRJSA-N 1 0 367.493 2.912 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(O)c1C ZINC000756460177 1023714146 /nfs/dbraw/zinc/71/41/46/1023714146.db2.gz OZXAAFOLCRINFF-LSDHHAIUSA-N 1 0 359.422 2.828 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)c2c1c(F)ccc2O ZINC000756731698 1023750826 /nfs/dbraw/zinc/75/08/26/1023750826.db2.gz HYVNDYUXJSDTSJ-MRVWCRGKSA-N 1 0 358.417 2.598 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756858279 1023760568 /nfs/dbraw/zinc/76/05/68/1023760568.db2.gz UFKMEMNGXZQHFB-KDOFPFPSSA-N 1 0 360.429 2.556 20 10 FFCDRO Oc1cccc(F)c1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001137835387 1033173636 /nfs/dbraw/zinc/17/36/36/1033173636.db2.gz GGYJQMCZINMBQT-UCLAIMLFSA-N 1 0 358.413 2.985 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCCc2cccc(O)c2)cc1 ZINC001121809957 1024052623 /nfs/dbraw/zinc/05/26/23/1024052623.db2.gz PIMQKKORZLJIPL-FQEVSTJZSA-N 1 0 355.482 2.987 20 10 FFCDRO O=S(=O)([C@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCc2ccccc21 ZINC000779609204 1024265347 /nfs/dbraw/zinc/26/53/47/1024265347.db2.gz ZUNIGJNXVUXOAN-SFHVURJKSA-N 1 0 372.490 2.749 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C2)ccc1N(C)C ZINC001139669815 1024354398 /nfs/dbraw/zinc/35/43/98/1024354398.db2.gz OYBBNMSCBRUZPT-SJORKVTESA-N 1 0 363.502 2.521 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139669811 1024354748 /nfs/dbraw/zinc/35/47/48/1024354748.db2.gz OYBBNMSCBRUZPT-DLBZAZTESA-N 1 0 363.502 2.521 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000081513316 1024832609 /nfs/dbraw/zinc/83/26/09/1024832609.db2.gz MJIFWQNWDPDHEX-GOSISDBHSA-N 1 0 356.422 2.647 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)ccc21 ZINC001141142802 1025513415 /nfs/dbraw/zinc/51/34/15/1025513415.db2.gz BNKHFPWCVLOGTG-GHTZIAJQSA-N 1 0 358.482 2.675 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC(NC(=O)N4CCCCC4)CC3)ccc21 ZINC001141146307 1025524551 /nfs/dbraw/zinc/52/45/51/1025524551.db2.gz RTJDSJIUGXALNW-UHFFFAOYSA-N 1 0 372.513 2.675 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]3C3CC3)cc2F)CC1 ZINC000838337781 1026321314 /nfs/dbraw/zinc/32/13/14/1026321314.db2.gz NMAHGHRUOJRXBX-GOSISDBHSA-N 1 0 360.477 2.662 20 10 FFCDRO C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000246796517 1026452905 /nfs/dbraw/zinc/45/29/05/1026452905.db2.gz DJTZBIWWHPKARL-BZUAXINKSA-N 1 0 363.477 2.540 20 10 FFCDRO Cc1cc(C)c(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1 ZINC000839488663 1026698184 /nfs/dbraw/zinc/69/81/84/1026698184.db2.gz FKIIWDMPAUBAPU-UHFFFAOYSA-N 1 0 367.449 2.846 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)cc1 ZINC000839492119 1026699281 /nfs/dbraw/zinc/69/92/81/1026699281.db2.gz BDNJZCPKKDABNK-OAQYLSRUSA-N 1 0 351.494 2.858 20 10 FFCDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839495542 1026701906 /nfs/dbraw/zinc/70/19/06/1026701906.db2.gz IRAIYODTCHEYHJ-KRWDZBQOSA-N 1 0 369.509 2.940 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247110066 1026713350 /nfs/dbraw/zinc/71/33/50/1026713350.db2.gz VTSJFLFMLCRUKS-QZTJIDSGSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC(=O)Nc2ccccc2)c1 ZINC000839539748 1026723764 /nfs/dbraw/zinc/72/37/64/1026723764.db2.gz NWYQWWKGUWFAIH-CYBMUJFWSA-N 1 0 357.410 2.790 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4nnc(C)[nH]4)C3)cc2)CC1 ZINC000839661867 1026781249 /nfs/dbraw/zinc/78/12/49/1026781249.db2.gz RXXJIEBBLVJSHK-KRWDZBQOSA-N 1 0 355.486 2.718 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000840479672 1027089305 /nfs/dbraw/zinc/08/93/05/1027089305.db2.gz QOSZHXIOZBBMEA-OXJNMPFZSA-N 1 0 358.530 2.870 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000840554001 1027110148 /nfs/dbraw/zinc/11/01/48/1027110148.db2.gz BHFYDXRJGBTWIB-MRXNPFEDSA-N 1 0 354.498 2.879 20 10 FFCDRO Cc1ncsc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092012402 1027196235 /nfs/dbraw/zinc/19/62/35/1027196235.db2.gz RKEYBBYSZSFRKC-UHFFFAOYSA-N 1 0 370.522 2.914 20 10 FFCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161532934 1028217888 /nfs/dbraw/zinc/21/78/88/1028217888.db2.gz ZTNTYZSLECSZMA-CZUORRHYSA-N 1 0 371.403 2.622 20 10 FFCDRO C[NH+](C)CCc1ccc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)cc1 ZINC001155227772 1028635883 /nfs/dbraw/zinc/63/58/83/1028635883.db2.gz DYCVJUGEFUWQSE-UHFFFAOYSA-N 1 0 368.389 2.561 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc(N(C)C)cn3)CC2)cc1 ZINC001164333919 1029249172 /nfs/dbraw/zinc/24/91/72/1029249172.db2.gz IKSAFWZRRISCRF-UHFFFAOYSA-N 1 0 369.513 2.780 20 10 FFCDRO CCOc1c(Cl)ncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156658725 1029294071 /nfs/dbraw/zinc/29/40/71/1029294071.db2.gz ZBRRFRHQRCKTRW-UHFFFAOYSA-N 1 0 361.877 2.893 20 10 FFCDRO COCC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)[C@@H]1CCOC1 ZINC000782976889 1029870310 /nfs/dbraw/zinc/87/03/10/1029870310.db2.gz QZQHQUMMQITZKV-OAHLLOKOSA-N 1 0 359.422 2.569 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)c(Cl)c1 ZINC000840923412 1029928124 /nfs/dbraw/zinc/92/81/24/1029928124.db2.gz UDMXPLJLUYYTDH-ZDUSSCGKSA-N 1 0 372.860 2.502 20 10 FFCDRO COCC(COC)N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000840954635 1029940943 /nfs/dbraw/zinc/94/09/43/1029940943.db2.gz LONHCLNMGIGBCW-UHFFFAOYSA-N 1 0 370.493 2.838 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1OC ZINC000840960691 1029943903 /nfs/dbraw/zinc/94/39/03/1029943903.db2.gz LNVOJBSRDDHSRQ-OAHLLOKOSA-N 1 0 360.410 2.620 20 10 FFCDRO Fc1cc(CNc2ccc3c(c2)C[NH2+]CCO3)ccc1N1CCOCC1 ZINC000841082197 1030026907 /nfs/dbraw/zinc/02/69/07/1030026907.db2.gz ILGMTAFYYYPQKL-UHFFFAOYSA-N 1 0 357.429 2.756 20 10 FFCDRO Nc1ccc(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000841302173 1030172651 /nfs/dbraw/zinc/17/26/51/1030172651.db2.gz NYMVCPRTAZETCJ-UHFFFAOYSA-N 1 0 367.497 2.598 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000841419694 1030278357 /nfs/dbraw/zinc/27/83/57/1030278357.db2.gz ZGWLIRCRJLIZKD-HNNXBMFYSA-N 1 0 354.450 2.593 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000841624943 1030376946 /nfs/dbraw/zinc/37/69/46/1030376946.db2.gz HCKQFFDSUXIPRV-GOSISDBHSA-N 1 0 356.470 2.931 20 10 FFCDRO [NH3+]CCc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841709535 1030420324 /nfs/dbraw/zinc/42/03/24/1030420324.db2.gz HTGBSYGUBCEPNP-UHFFFAOYSA-N 1 0 352.482 2.787 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841709339 1030420580 /nfs/dbraw/zinc/42/05/80/1030420580.db2.gz DRCPWUBHGLWYEP-LJQANCHMSA-N 1 0 356.514 2.818 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)ccc21 ZINC000841761005 1030449944 /nfs/dbraw/zinc/44/99/44/1030449944.db2.gz ZWNKJVWVJKDFQH-IBGZPJMESA-N 1 0 356.514 2.743 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3cc(C)c(C)cc3O)C2)nc1 ZINC000784625896 1030723895 /nfs/dbraw/zinc/72/38/95/1030723895.db2.gz OTZQAHZHRCZHJA-UHFFFAOYSA-N 1 0 355.438 2.559 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001203551951 1030758595 /nfs/dbraw/zinc/75/85/95/1030758595.db2.gz UQPDYSKSRMUVQI-MRXNPFEDSA-N 1 0 350.422 2.695 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@@H]3C[N@H+](Cc4ccccc4O)CCN3C2)n1 ZINC001203551761 1030760901 /nfs/dbraw/zinc/76/09/01/1030760901.db2.gz MUJGCAICQJATON-UXHICEINSA-N 1 0 353.466 2.571 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1ccccc1O ZINC001203550104 1030761316 /nfs/dbraw/zinc/76/13/16/1030761316.db2.gz HZPHYGAKJZRUSS-UHFFFAOYSA-N 1 0 362.470 2.994 20 10 FFCDRO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1O ZINC001203560854 1030768169 /nfs/dbraw/zinc/76/81/69/1030768169.db2.gz IDTXNDJZCUFFRG-IBGZPJMESA-N 1 0 354.450 2.642 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1O ZINC001203590258 1030772646 /nfs/dbraw/zinc/77/26/46/1030772646.db2.gz VHPNANFZUQEPTK-GOSISDBHSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1O ZINC001203592033 1030774460 /nfs/dbraw/zinc/77/44/60/1030774460.db2.gz ATCQUCBDURHKGI-IPMKNSEASA-N 1 0 370.449 2.997 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)c1O ZINC001203591196 1030776419 /nfs/dbraw/zinc/77/64/19/1030776419.db2.gz DKKYUXAZZJMZMG-GCJKJVERSA-N 1 0 366.461 2.849 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1O ZINC001203593452 1030778343 /nfs/dbraw/zinc/77/83/43/1030778343.db2.gz MVXUKCFFNYKZKR-ZBFHGGJFSA-N 1 0 356.422 2.730 20 10 FFCDRO CCOc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1O ZINC001203608551 1030784472 /nfs/dbraw/zinc/78/44/72/1030784472.db2.gz UBIFUAKYJDQAQE-UHFFFAOYSA-N 1 0 370.497 2.642 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)c1O ZINC001203609738 1030786117 /nfs/dbraw/zinc/78/61/17/1030786117.db2.gz IYHARHVKGXCTME-NRFANRHFSA-N 1 0 367.449 2.815 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC001203610133 1030787565 /nfs/dbraw/zinc/78/75/65/1030787565.db2.gz WPGCAKGGANEOCA-WMZOPIPTSA-N 1 0 352.434 2.886 20 10 FFCDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203643337 1030800752 /nfs/dbraw/zinc/80/07/52/1030800752.db2.gz OCPIORNYZOIDNM-UHFFFAOYSA-N 1 0 368.275 2.785 20 10 FFCDRO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657254 1030808044 /nfs/dbraw/zinc/80/80/44/1030808044.db2.gz AYZGYOLHGPTLRZ-BEFAXECRSA-N 1 0 366.889 2.656 20 10 FFCDRO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658441 1030810286 /nfs/dbraw/zinc/81/02/86/1030810286.db2.gz VLNPEIQRBQSROS-IBGZPJMESA-N 1 0 372.856 2.855 20 10 FFCDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(Cl)ccc3O)CC2)C1 ZINC001203664500 1030812855 /nfs/dbraw/zinc/81/28/55/1030812855.db2.gz HREQYLSKKOQKQF-AWEZNQCLSA-N 1 0 366.889 2.895 20 10 FFCDRO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC001203659071 1030813734 /nfs/dbraw/zinc/81/37/34/1030813734.db2.gz RBOPPBREIITFFD-INMHGKMJSA-N 1 0 366.889 2.655 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1 ZINC001203673157 1030820144 /nfs/dbraw/zinc/82/01/44/1030820144.db2.gz PFBYYSCXRZYOIP-MOXGXCLJSA-N 1 0 370.449 2.854 20 10 FFCDRO CN(c1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001203807528 1030902562 /nfs/dbraw/zinc/90/25/62/1030902562.db2.gz VMEYSZNLQFXWHO-UHFFFAOYSA-N 1 0 359.495 2.831 20 10 FFCDRO Oc1ccc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)cc1O ZINC001203876891 1030949387 /nfs/dbraw/zinc/94/93/87/1030949387.db2.gz LIONHZXZLSNGLP-TXPKVOOTSA-N 1 0 356.422 2.551 20 10 FFCDRO Oc1ccc(CN2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)cc1O ZINC001203878494 1030953176 /nfs/dbraw/zinc/95/31/76/1030953176.db2.gz UYXNMHNBTHJDAR-NRFANRHFSA-N 1 0 354.450 2.969 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3c2cnn(C)c2)cc1 ZINC001203939267 1030997065 /nfs/dbraw/zinc/99/70/65/1030997065.db2.gz MXYBZJOLNUTDGU-WOJBJXKFSA-N 1 0 367.497 2.646 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)cc1 ZINC001203939192 1030997583 /nfs/dbraw/zinc/99/75/83/1030997583.db2.gz LLYJNQUHABQTPD-TZIWHRDSSA-N 1 0 359.514 2.602 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)cc1 ZINC001203943685 1030999950 /nfs/dbraw/zinc/99/99/50/1030999950.db2.gz FOOODKHBMUPBEN-GOSISDBHSA-N 1 0 356.470 2.985 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001142906647 1031033505 /nfs/dbraw/zinc/03/35/05/1031033505.db2.gz RNUMPTKXPWDFLV-UHFFFAOYSA-N 1 0 368.477 2.871 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)c(O)c1 ZINC001204273395 1031199647 /nfs/dbraw/zinc/19/96/47/1031199647.db2.gz ORIIBQPEPRXTOQ-NRFANRHFSA-N 1 0 354.450 2.969 20 10 FFCDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204273727 1031200481 /nfs/dbraw/zinc/20/04/81/1031200481.db2.gz GPNRYWUIHIHBSA-FGZHOGPDSA-N 1 0 366.461 2.862 20 10 FFCDRO COc1cc(CN2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204342739 1031236677 /nfs/dbraw/zinc/23/66/77/1031236677.db2.gz MIIDUUXSWCHEFQ-TZMCWYRMSA-N 1 0 366.458 2.842 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)n1 ZINC001143112517 1031241695 /nfs/dbraw/zinc/24/16/95/1031241695.db2.gz UZFGMPBSCOESLH-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO Cc1cc(F)cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000843297272 1031294385 /nfs/dbraw/zinc/29/43/85/1031294385.db2.gz GKPYNZJIYOQNBB-INIZCTEOSA-N 1 0 360.389 2.538 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349725 1031343366 /nfs/dbraw/zinc/34/33/66/1031343366.db2.gz JUDZBNRCWIMBJZ-ZDUSSCGKSA-N 1 0 353.422 2.654 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]([NH3+])[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843353085 1031344818 /nfs/dbraw/zinc/34/48/18/1031344818.db2.gz BLADHNHVDAXGKK-UGSOOPFHSA-N 1 0 369.465 2.675 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001205706440 1031945706 /nfs/dbraw/zinc/94/57/06/1031945706.db2.gz JGZYWYXPEGALLZ-UONOGXRCSA-N 1 0 366.458 2.687 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccc(Cl)cn1 ZINC000829999324 1033424979 /nfs/dbraw/zinc/42/49/79/1033424979.db2.gz ZBVSGHAJCNONDA-YJBOKZPZSA-N 1 0 372.900 2.961 20 10 FFCDRO Nc1ccc(N(C(=O)CNCCC[NH3+])c2ccc3ccccc3c2N)cc1 ZINC001219473487 1033660721 /nfs/dbraw/zinc/66/07/21/1033660721.db2.gz BOCAXAVXDMMHLT-UHFFFAOYSA-N 1 0 363.465 2.607 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CC[NH2+]C[C@H]3F)cc2)cc1 ZINC001219492912 1033668373 /nfs/dbraw/zinc/66/83/73/1033668373.db2.gz GDJHXNJICOBAKO-IAGOWNOFSA-N 1 0 371.416 2.799 20 10 FFCDRO CC(C)[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](C)[NH3+] ZINC000830659542 1033728507 /nfs/dbraw/zinc/72/85/07/1033728507.db2.gz XVGRYKMOIKQUEV-KEYYUXOJSA-N 1 0 369.456 2.992 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1C1CCC1)cc2=O ZINC000830989669 1033901239 /nfs/dbraw/zinc/90/12/39/1033901239.db2.gz XFBJARXAGMIMSP-INIZCTEOSA-N 1 0 358.442 2.766 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831172264 1033976875 /nfs/dbraw/zinc/97/68/75/1033976875.db2.gz JUHYXAAYLXSNDS-LJQANCHMSA-N 1 0 356.514 2.960 20 10 FFCDRO Cc1c(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)c2ccccc2n1C ZINC001138253954 1034021961 /nfs/dbraw/zinc/02/19/61/1034021961.db2.gz MAMCZLQULRUWAM-VQTJNVASSA-N 1 0 363.465 2.600 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@@H](O)C[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138252412 1034023258 /nfs/dbraw/zinc/02/32/58/1034023258.db2.gz GMLWCABNYZVMKR-HOTGVXAUSA-N 1 0 373.497 2.947 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1N(C)C ZINC000831576319 1034131329 /nfs/dbraw/zinc/13/13/29/1034131329.db2.gz DJMVIZKXQNYISH-HZPDHXFCSA-N 1 0 369.431 2.904 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025868 1034169666 /nfs/dbraw/zinc/16/96/66/1034169666.db2.gz HCQSDLFZDCNNGT-FQEVSTJZSA-N 1 0 364.461 2.691 20 10 FFCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341278 1034172683 /nfs/dbraw/zinc/17/26/83/1034172683.db2.gz VJRGZNSQTBMUPV-QFIPXVFZSA-N 1 0 369.509 2.678 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138356125 1034192845 /nfs/dbraw/zinc/19/28/45/1034192845.db2.gz IFNDTUYOCYBNHJ-UHFFFAOYSA-N 1 0 352.482 2.795 20 10 FFCDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138496071 1034335219 /nfs/dbraw/zinc/33/52/19/1034335219.db2.gz IPGCWFXJVPSLQI-FQEVSTJZSA-N 1 0 374.525 2.788 20 10 FFCDRO Fc1cccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC001138499748 1034341320 /nfs/dbraw/zinc/34/13/20/1034341320.db2.gz HOEVNWLBXVRBBQ-UHFFFAOYSA-N 1 0 355.457 2.985 20 10 FFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC001138499941 1034343168 /nfs/dbraw/zinc/34/31/68/1034343168.db2.gz PNCFGQDDNYZZDL-FQEVSTJZSA-N 1 0 369.465 2.580 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](OC)C2CC2)cc1C ZINC001226003945 1034486118 /nfs/dbraw/zinc/48/61/18/1034486118.db2.gz XHHFTCNHOGGSHA-GGPKGHCWSA-N 1 0 360.498 2.946 20 10 FFCDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676671 1034537424 /nfs/dbraw/zinc/53/74/24/1034537424.db2.gz RHHHCOKFOMYVNB-OAHLLOKOSA-N 1 0 369.303 2.633 20 10 FFCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138679278 1034538670 /nfs/dbraw/zinc/53/86/70/1034538670.db2.gz WMDWOUDHKBJLNY-QGZVFWFLSA-N 1 0 369.303 2.633 20 10 FFCDRO CCc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1CC(C)C ZINC000832266396 1034688068 /nfs/dbraw/zinc/68/80/68/1034688068.db2.gz FETPSTAGTRDSNW-SFHVURJKSA-N 1 0 357.502 2.597 20 10 FFCDRO COc1cc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832266408 1034688624 /nfs/dbraw/zinc/68/86/24/1034688624.db2.gz FPQOMSJYHKBCMT-QGZVFWFLSA-N 1 0 357.454 2.508 20 10 FFCDRO COCCCOc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274567 1034696432 /nfs/dbraw/zinc/69/64/32/1034696432.db2.gz VWHFYSJIHOKEEC-HXUWFJFHSA-N 1 0 371.481 2.598 20 10 FFCDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1C ZINC000832286031 1034701916 /nfs/dbraw/zinc/70/19/16/1034701916.db2.gz VOPANODZAZWCII-QGZVFWFLSA-N 1 0 357.454 2.508 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000832285568 1034702157 /nfs/dbraw/zinc/70/21/57/1034702157.db2.gz RXAPWJFXYBOSAS-LJQANCHMSA-N 1 0 366.465 2.531 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1N(C)C ZINC001139671367 1035194243 /nfs/dbraw/zinc/19/42/43/1035194243.db2.gz JYJUIRZFXQAGIJ-NHCUHLMSSA-N 1 0 367.541 2.748 20 10 FFCDRO CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054161 1035323753 /nfs/dbraw/zinc/32/37/53/1035323753.db2.gz KGYBNPNYXIUHKA-GOSISDBHSA-N 1 0 364.461 2.675 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c1O ZINC001140180464 1035370146 /nfs/dbraw/zinc/37/01/46/1035370146.db2.gz XDDXJGJXIJUCBM-IMFGXOCKSA-N 1 0 369.465 2.857 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4ccco4)[C@@H](C2)O3)c1O ZINC001140179019 1035370218 /nfs/dbraw/zinc/37/02/18/1035370218.db2.gz DWXXPDJNKMXIGJ-ZIFCJYIRSA-N 1 0 370.449 2.508 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c1O ZINC001140181938 1035370609 /nfs/dbraw/zinc/37/06/09/1035370609.db2.gz ZWKKBTRBFOGVNH-UHFFFAOYSA-N 1 0 351.454 2.509 20 10 FFCDRO C[N@H+](Cc1cnc2ccccn12)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140283589 1035418111 /nfs/dbraw/zinc/41/81/11/1035418111.db2.gz WZRZCCLCPICRLR-UHFFFAOYSA-N 1 0 350.466 2.927 20 10 FFCDRO 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1038520444 /nfs/dbraw/zinc/52/04/44/1038520444.db2.gz GZRUTFPLCWZQOE-TZMCWYRMSA-N 1 0 364.442 2.658 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CCN(c3ncc(O)cn3)CC2)cc1 ZINC001209517183 1038948333 /nfs/dbraw/zinc/94/83/33/1038948333.db2.gz AEDKKGCXSMAUHB-UHFFFAOYSA-N 1 0 363.465 2.912 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N(C)C)cc2F)[NH+](C)C)cc1 ZINC001537484555 1070192974 /nfs/dbraw/zinc/19/29/74/1070192974.db2.gz XSJBXAHVQIJYDX-HXUWFJFHSA-N 1 0 372.488 2.990 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC(C)(C)O3)cc2)CC1 ZINC001246381234 1039330216 /nfs/dbraw/zinc/33/02/16/1039330216.db2.gz CXQGNOAQILXFPW-IBGZPJMESA-N 1 0 374.529 2.585 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3c2OCC3)[NH+](C)C)cc1 ZINC001537483866 1070193093 /nfs/dbraw/zinc/19/30/93/1070193093.db2.gz RLLKXJAIYIGMAP-IBGZPJMESA-N 1 0 353.466 2.720 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)c(C)c1 ZINC001252287737 1039478820 /nfs/dbraw/zinc/47/88/20/1039478820.db2.gz MBGZNYLHTXJPKP-HXUWFJFHSA-N 1 0 370.493 2.703 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(CC4CCOCC4)C3=O)C2)c1O ZINC001276682867 1039501837 /nfs/dbraw/zinc/50/18/37/1039501837.db2.gz BJWSZHHUJWJSHG-OAQYLSRUSA-N 1 0 358.482 2.552 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(CC2CCOCC2)C3=O)c1O ZINC001276683561 1039521626 /nfs/dbraw/zinc/52/16/26/1039521626.db2.gz MTUWFAQFXHRGAE-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO OC1CCN(c2ccc(CN3CC4(C3)C[NH+](C3CCCC3)C4)cc2)CC1 ZINC001278472297 1039536579 /nfs/dbraw/zinc/53/65/79/1039536579.db2.gz IDGDRBDBHQTTOQ-UHFFFAOYSA-N 1 0 355.526 2.708 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(Cc2cnoc2)C3)c1O ZINC001276683854 1039542246 /nfs/dbraw/zinc/54/22/46/1039542246.db2.gz QXKKPYHPAPSUPZ-HXUWFJFHSA-N 1 0 355.438 2.846 20 10 FFCDRO COC[C@@H]1C[NH2+]CCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001210531430 1039596129 /nfs/dbraw/zinc/59/61/29/1039596129.db2.gz SAXFEAAKICSSIB-AWEZNQCLSA-N 1 0 365.271 2.728 20 10 FFCDRO CCC[C@H](O)C[N@@H+]1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001252781969 1039701301 /nfs/dbraw/zinc/70/13/01/1039701301.db2.gz YTHPYVMDUGRXMO-PZJWPPBQSA-N 1 0 362.514 2.775 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001253054017 1039949327 /nfs/dbraw/zinc/94/93/27/1039949327.db2.gz DKSJBMMRVYBIGA-NRFANRHFSA-N 1 0 372.509 2.813 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H](O)C(C)C)C3)C2)cc1 ZINC001253760913 1040356261 /nfs/dbraw/zinc/35/62/61/1040356261.db2.gz RPENTOGJHXLDQQ-RTWAWAEBSA-N 1 0 362.514 2.631 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253904449 1040442538 /nfs/dbraw/zinc/44/25/38/1040442538.db2.gz BICUDZYSKCKQMZ-GESALYCCSA-N 1 0 374.391 2.563 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001249223227 1040638750 /nfs/dbraw/zinc/63/87/50/1040638750.db2.gz BVEWARAZEWDEDQ-ROUUACIJSA-N 1 0 364.461 2.506 20 10 FFCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2Cc3ccc(Br)cc3C2)cc1O ZINC001254259335 1040647839 /nfs/dbraw/zinc/64/78/39/1040647839.db2.gz DJXIAFVOMXGOQN-WMLDXEAASA-N 1 0 364.239 2.651 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](NC(=O)C[NH3+])C(C)C)n2)cc1 ZINC001249268019 1040658532 /nfs/dbraw/zinc/65/85/32/1040658532.db2.gz QFMMDAQQOANTOC-SFHVURJKSA-N 1 0 367.453 2.916 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(O)c1 ZINC001249725501 1040963354 /nfs/dbraw/zinc/96/33/54/1040963354.db2.gz PCGCEMRRHIQCLL-QAPCUYQASA-N 1 0 365.470 2.707 20 10 FFCDRO Oc1cccc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)c1O ZINC001254998248 1041092844 /nfs/dbraw/zinc/09/28/44/1041092844.db2.gz QUHCHODFOFULSV-YQQQUEKLSA-N 1 0 354.450 2.619 20 10 FFCDRO COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(C)c(Br)cc1O ZINC001250127065 1041122944 /nfs/dbraw/zinc/12/29/44/1041122944.db2.gz LQOSIDDAZQZUQK-PBWFPOADSA-N 1 0 356.260 2.841 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)c(Br)cc2O)CC12CC2 ZINC001250135553 1041125751 /nfs/dbraw/zinc/12/57/51/1041125751.db2.gz DTUVWETXNGYSOF-LBPRGKRZSA-N 1 0 354.244 2.848 20 10 FFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001255180978 1041183732 /nfs/dbraw/zinc/18/37/32/1041183732.db2.gz NTWNCHXEVYGARG-FNLKRUPLSA-N 1 0 373.497 2.765 20 10 FFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001255213983 1041203994 /nfs/dbraw/zinc/20/39/94/1041203994.db2.gz JVEIXQDCMUUYQV-FVQHAEBGSA-N 1 0 360.454 2.998 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001278569199 1041208572 /nfs/dbraw/zinc/20/85/72/1041208572.db2.gz RGYIPILGHGSQIA-UHFFFAOYSA-N 1 0 360.889 2.840 20 10 FFCDRO Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262350862 1041651112 /nfs/dbraw/zinc/65/11/12/1041651112.db2.gz IHNRVEXBHIPTAF-VBKZILBWSA-N 1 0 371.529 2.690 20 10 FFCDRO COC1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4cccc(C)c4O)[C@@H]3C2)CCC1 ZINC001279290129 1042985404 /nfs/dbraw/zinc/98/54/04/1042985404.db2.gz GMSQYNVDBKZHTP-FUHWJXTLSA-N 1 0 358.482 2.693 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1O ZINC001279290507 1042985814 /nfs/dbraw/zinc/98/58/14/1042985814.db2.gz QDYDQCROHGOERJ-CVEARBPZSA-N 1 0 358.404 2.928 20 10 FFCDRO CC1(C)[NH2+][C@@H](CCN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CO1 ZINC001237206830 1043054303 /nfs/dbraw/zinc/05/43/03/1043054303.db2.gz YQZOBIUEDDMAJI-AWEZNQCLSA-N 1 0 373.419 2.822 20 10 FFCDRO COCCOCN1CCC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001279421394 1043093651 /nfs/dbraw/zinc/09/36/51/1043093651.db2.gz HBDAANVVVHGQKH-HXUWFJFHSA-N 1 0 366.477 2.830 20 10 FFCDRO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4c(C)cc(C)cc4O)[C@@H]3C2)n(C)n1 ZINC001279432960 1043107302 /nfs/dbraw/zinc/10/73/02/1043107302.db2.gz QAPIVCNRDBRXRD-FXAWDEMLSA-N 1 0 354.498 2.757 20 10 FFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001279490988 1043178377 /nfs/dbraw/zinc/17/83/77/1043178377.db2.gz SNHGZVDAEOQYJR-HXUWFJFHSA-N 1 0 367.484 2.910 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001237481696 1043195322 /nfs/dbraw/zinc/19/53/22/1043195322.db2.gz HTXKPLWHXWITEL-OAHLLOKOSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001237484552 1043196781 /nfs/dbraw/zinc/19/67/81/1043196781.db2.gz FCYKHYOTJQNMEK-MAUKXSAKSA-N 1 0 362.470 2.768 20 10 FFCDRO COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3[O-])(C1)CCC2 ZINC001279529259 1043228283 /nfs/dbraw/zinc/22/82/83/1043228283.db2.gz OFXJFAMNFUVNLT-MOPGFXCFSA-N 1 0 352.450 2.676 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237670294 1043301786 /nfs/dbraw/zinc/30/17/86/1043301786.db2.gz RTKWQJFJGKYHOQ-ZFWWWQNUSA-N 1 0 367.339 2.637 20 10 FFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237673117 1043303019 /nfs/dbraw/zinc/30/30/19/1043303019.db2.gz MSRMIMWDPDBKFT-QFBILLFUSA-N 1 0 351.443 2.569 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c(O)c(OC)c1 ZINC001237675249 1043303306 /nfs/dbraw/zinc/30/33/06/1043303306.db2.gz CTMFWNQCLRNUPP-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(I)c1O ZINC001237776715 1043351131 /nfs/dbraw/zinc/35/11/31/1043351131.db2.gz KSRKEAASSFZVME-PHIMTYICSA-N 1 0 357.191 2.693 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NCC(F)(F)F)C[C@H]32)c(O)c1 ZINC001279663781 1043425714 /nfs/dbraw/zinc/42/57/14/1043425714.db2.gz FCGCMURHXOCDRT-DZGCQCFKSA-N 1 0 371.403 2.733 20 10 FFCDRO CC(C)NC(=O)N1CCO[C@H]2C[N@H+](Cc3ccc(C(C)C)cc3O)C[C@@H]21 ZINC001279674171 1043445336 /nfs/dbraw/zinc/44/53/36/1043445336.db2.gz SBLWHMGQRMCUBV-HKUYNNGSSA-N 1 0 361.486 2.519 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2)N1CCCC12CC2 ZINC001279727689 1043539784 /nfs/dbraw/zinc/53/97/84/1043539784.db2.gz SSKMGCJTHIJXCK-INIZCTEOSA-N 1 0 356.466 2.855 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238111148 1043542979 /nfs/dbraw/zinc/54/29/79/1043542979.db2.gz RPRVFKFDLZCCHH-UHFFFAOYSA-N 1 0 366.465 2.682 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCOC[C@@H]3C(=O)NC(C)(C)C)cc1 ZINC001279744963 1043575886 /nfs/dbraw/zinc/57/58/86/1043575886.db2.gz ZJZMMHZYTSFFDJ-GOSISDBHSA-N 1 0 359.514 2.506 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CCCCO3)C2)cc1 ZINC001279747835 1043580303 /nfs/dbraw/zinc/58/03/03/1043580303.db2.gz CYKMNLLGZVOUMK-LJQANCHMSA-N 1 0 357.498 2.909 20 10 FFCDRO COCCOC[N@@H+]1CCC2(C1)CCN(c1ccc(OC)c(F)c1)CC2 ZINC001279762988 1043604561 /nfs/dbraw/zinc/60/45/61/1043604561.db2.gz ZLWJWSDMLSEHNY-UHFFFAOYSA-N 1 0 352.450 2.747 20 10 FFCDRO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001279765017 1043608350 /nfs/dbraw/zinc/60/83/50/1043608350.db2.gz MATKSKCXEQOGOP-OAQYLSRUSA-N 1 0 359.514 2.702 20 10 FFCDRO O=S(=O)(NC[C@@]12C[NH2+][C@@H](CO1)C2)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238300275 1043641018 /nfs/dbraw/zinc/64/10/18/1043641018.db2.gz JUGAPMBFHKGVDC-ILYIUGIZSA-N 1 0 372.450 2.511 20 10 FFCDRO COc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001279979377 1044025588 /nfs/dbraw/zinc/02/55/88/1044025588.db2.gz BSABZDVVFOQIFD-OAHLLOKOSA-N 1 0 364.511 2.623 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)N4CC=CC4)(C2)C3)c(O)c1 ZINC001280034733 1044112683 /nfs/dbraw/zinc/11/26/83/1044112683.db2.gz DRNDNXQECFWPHS-UHFFFAOYSA-N 1 0 355.482 2.649 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N4C[C@@H](C)O[C@H](C)C4)(C2)C3)c1O ZINC001280346651 1044635615 /nfs/dbraw/zinc/63/56/15/1044635615.db2.gz VZWJFZOXCBRKJL-AJHHTPGJSA-N 1 0 358.482 2.657 20 10 FFCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Br)ccc1O ZINC001320411498 1045403447 /nfs/dbraw/zinc/40/34/47/1045403447.db2.gz OHOYNZJFQBXZCS-LBPRGKRZSA-N 1 0 357.292 2.510 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC([C@H]4CCOC4)CC3)cc2F)CC1 ZINC001320967416 1045503793 /nfs/dbraw/zinc/50/37/93/1045503793.db2.gz GPCPMQUSCGMXSL-IBGZPJMESA-N 1 0 361.505 2.826 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NCC(F)(F)F ZINC001321196543 1045582948 /nfs/dbraw/zinc/58/29/48/1045582948.db2.gz ORIRIDAAQQYEDS-VIFPVBQESA-N 1 0 371.325 2.928 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3ccc(F)cc32)[NH+](C)C)cc1 ZINC001539707225 1070684827 /nfs/dbraw/zinc/68/48/27/1070684827.db2.gz PZVWCIDMBAHNKK-PMACEKPBSA-N 1 0 355.457 2.951 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)cc2F)CC1 ZINC001324822273 1046243228 /nfs/dbraw/zinc/24/32/28/1046243228.db2.gz IDJXKSFYNMXTRW-IBGZPJMESA-N 1 0 361.505 2.826 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(CC(F)F)CC3)C2)cc1 ZINC001325918216 1046685937 /nfs/dbraw/zinc/68/59/37/1046685937.db2.gz RHLNUIOEKIGVQF-HNNXBMFYSA-N 1 0 353.457 2.841 20 10 FFCDRO O=[N+]([O-])c1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1N1CCCCC1 ZINC000729684406 1046939501 /nfs/dbraw/zinc/93/95/01/1046939501.db2.gz OKZPLIKGKVROHI-MSOLQXFVSA-N 1 0 374.485 2.538 20 10 FFCDRO CC(C)c1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC001288334927 1047449285 /nfs/dbraw/zinc/44/92/85/1047449285.db2.gz UOLXKQSDYCKXRY-UHFFFAOYSA-N 1 0 358.511 2.948 20 10 FFCDRO C[NH2+][C@@H](C)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001328725708 1048437644 /nfs/dbraw/zinc/43/76/44/1048437644.db2.gz QKADSMGTSLODKA-ZDUSSCGKSA-N 1 0 370.444 2.554 20 10 FFCDRO C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCOCC1 ZINC001333873573 1049152671 /nfs/dbraw/zinc/15/26/71/1049152671.db2.gz KSXFWUPCKIEBEO-LAUBAEHRSA-N 1 0 371.477 2.858 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccccc1O ZINC001331262428 1049536820 /nfs/dbraw/zinc/53/68/20/1049536820.db2.gz WXGTXFVCFYAVND-MRXNPFEDSA-N 1 0 368.481 2.704 20 10 FFCDRO [NH3+][C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCCCSc1nccs1 ZINC001341563102 1050190433 /nfs/dbraw/zinc/19/04/33/1050190433.db2.gz VMYXFGCVYNIFIQ-CQSZACIVSA-N 1 0 360.508 2.793 20 10 FFCDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001340946596 1051278812 /nfs/dbraw/zinc/27/88/12/1051278812.db2.gz XHRNGZDIYGWLSU-NRFANRHFSA-N 1 0 353.466 2.520 20 10 FFCDRO C[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O)[NH+](C)C ZINC001303706171 1051430283 /nfs/dbraw/zinc/43/02/83/1051430283.db2.gz UXMSBZXSCYKDBW-CQSZACIVSA-N 1 0 354.458 2.565 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@]34CC[NH2+][C@H]3CCCC4)C2)cc1 ZINC001343721820 1052388308 /nfs/dbraw/zinc/38/83/08/1052388308.db2.gz LHGHTIYIMVOSTR-LKUPVBHCSA-N 1 0 357.498 2.560 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3CS(C)(=O)=O)cc2)CC1 ZINC001308311037 1052444329 /nfs/dbraw/zinc/44/43/29/1052444329.db2.gz ZHEIIKIVTGDMPB-UHFFFAOYSA-N 1 0 373.522 2.595 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC001308380462 1052451524 /nfs/dbraw/zinc/45/15/24/1052451524.db2.gz WOCKTYVISBFTPJ-SJORKVTESA-N 1 0 354.516 2.591 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)cc1F ZINC001308549283 1052467475 /nfs/dbraw/zinc/46/74/75/1052467475.db2.gz FVGAYBLZIDGCHD-LBPRGKRZSA-N 1 0 367.266 2.955 20 10 FFCDRO CCCN(CC1(S(=O)(=O)NC(C)(C)C)CC1)c1ccc(C[NH3+])cc1 ZINC001308741714 1052493609 /nfs/dbraw/zinc/49/36/09/1052493609.db2.gz YBJGWPFDKJGWBR-UHFFFAOYSA-N 1 0 353.532 2.612 20 10 FFCDRO CCCOc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1C ZINC001308792335 1052499568 /nfs/dbraw/zinc/49/95/68/1052499568.db2.gz ISMDNJLDKMYQNY-UHFFFAOYSA-N 1 0 361.530 2.866 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c2cc(F)ccc2n1C ZINC001308793018 1052499892 /nfs/dbraw/zinc/49/98/92/1052499892.db2.gz PLZIZRPOLZBGMM-FQEVSTJZSA-N 1 0 362.445 2.944 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC001308815746 1052503464 /nfs/dbraw/zinc/50/34/64/1052503464.db2.gz KNCJYHKQXUMSIQ-UHFFFAOYSA-N 1 0 352.500 2.516 20 10 FFCDRO COC(=O)c1c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2cc(F)ccc2n1C ZINC001308904164 1052515796 /nfs/dbraw/zinc/51/57/96/1052515796.db2.gz IWERUDNSEHHUOZ-DYVFJYSZSA-N 1 0 359.445 2.630 20 10 FFCDRO COc1ccc(C[NH2+]CC(=O)Nc2cccc3cccnc32)c(O)c1OC ZINC001308921939 1052520281 /nfs/dbraw/zinc/52/02/81/1052520281.db2.gz NQEFKPNVNNALJC-UHFFFAOYSA-N 1 0 367.405 2.686 20 10 FFCDRO CCN(CC)c1ccc(CN(C)S(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC001309037300 1052544064 /nfs/dbraw/zinc/54/40/64/1052544064.db2.gz YQIOZYPFMTXENP-UHFFFAOYSA-N 1 0 367.559 2.780 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001345934809 1052677549 /nfs/dbraw/zinc/67/75/49/1052677549.db2.gz ZETRUFBYQFQYBC-UHFFFAOYSA-N 1 0 360.845 2.909 20 10 FFCDRO O=C(N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001346699365 1053234101 /nfs/dbraw/zinc/23/41/01/1053234101.db2.gz HIBBUYSDABZMIM-DYESRHJHSA-N 1 0 365.433 2.673 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001335380002 1053328825 /nfs/dbraw/zinc/32/88/25/1053328825.db2.gz GNJNHXGMVVNQRV-FUHIMQAGSA-N 1 0 374.529 2.743 20 10 FFCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001335426262 1053355433 /nfs/dbraw/zinc/35/54/33/1053355433.db2.gz OAVOQEXIHHNXFM-IBGZPJMESA-N 1 0 352.482 2.980 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001336081900 1053755958 /nfs/dbraw/zinc/75/59/58/1053755958.db2.gz GWSHWAFMWUNELZ-CQDKDKBSSA-N 1 0 358.408 2.735 20 10 FFCDRO C[C@@H](CCO)C1(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCC1 ZINC001337273984 1054614976 /nfs/dbraw/zinc/61/49/76/1054614976.db2.gz FCJXMNFJDWVTDU-KRWDZBQOSA-N 1 0 363.521 2.856 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC001337838744 1055049809 /nfs/dbraw/zinc/04/98/09/1055049809.db2.gz RZFAPAGDZJUOLP-HZPDHXFCSA-N 1 0 353.466 2.808 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)CC1 ZINC001352080065 1055174552 /nfs/dbraw/zinc/17/45/52/1055174552.db2.gz UDFSQARGSALJDD-UHFFFAOYSA-N 1 0 355.457 2.860 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001352101021 1055191842 /nfs/dbraw/zinc/19/18/42/1055191842.db2.gz WOGKQLDVVYXGTB-MGQWETQPSA-N 1 0 373.453 2.948 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc([S@@](C)=O)cc2)N(C)C)cc1 ZINC001352109784 1055196136 /nfs/dbraw/zinc/19/61/36/1055196136.db2.gz AATXLEQYTCRCNI-NBGIEHNGSA-N 1 0 359.539 2.883 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c1O ZINC000848893402 1055314933 /nfs/dbraw/zinc/31/49/33/1055314933.db2.gz WBVLSLLUGCZBEM-UHFFFAOYSA-N 1 0 367.493 2.632 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000848895804 1055319042 /nfs/dbraw/zinc/31/90/42/1055319042.db2.gz YMXZQUZSFZYGNM-HJWRWDBZSA-N 1 0 356.422 2.592 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)c1O ZINC000848897143 1055324045 /nfs/dbraw/zinc/32/40/45/1055324045.db2.gz FJBXHIJJNPHMRN-LJQANCHMSA-N 1 0 370.449 2.867 20 10 FFCDRO CCc1cccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1O ZINC000848898519 1055326663 /nfs/dbraw/zinc/32/66/63/1055326663.db2.gz DNDZFGDUBVXVOH-CQSZACIVSA-N 1 0 356.430 3.000 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001350154368 1055651212 /nfs/dbraw/zinc/65/12/12/1055651212.db2.gz KBBRSKYXUZWSPQ-GHMZBOCLSA-N 1 0 351.390 2.816 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000847447440 1055796219 /nfs/dbraw/zinc/79/62/19/1055796219.db2.gz PHANWWNCBHELPO-VQTJNVASSA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000847447441 1055796736 /nfs/dbraw/zinc/79/67/36/1055796736.db2.gz PHANWWNCBHELPO-WOJBJXKFSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2ccc(Br)cc2O)C1 ZINC001350617282 1055865719 /nfs/dbraw/zinc/86/57/19/1055865719.db2.gz SQMNKZCJOHWCAQ-LBPRGKRZSA-N 1 0 355.276 2.893 20 10 FFCDRO [NH3+][C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001357363090 1055878867 /nfs/dbraw/zinc/87/88/67/1055878867.db2.gz WAUYVRQAYFCYCP-HXUWFJFHSA-N 1 0 362.477 2.954 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]34C[C@H]3CCC4)CC2)cc1 ZINC001350976027 1056022562 /nfs/dbraw/zinc/02/25/62/1056022562.db2.gz HZVIQLBKMCUPTK-DYESRHJHSA-N 1 0 357.498 2.514 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1F ZINC001351508881 1056298982 /nfs/dbraw/zinc/29/89/82/1056298982.db2.gz VVPKGMRFUIKVQM-KXBFYZLASA-N 1 0 350.409 2.605 20 10 FFCDRO CC(C)C1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)COC1 ZINC001544728026 1071682862 /nfs/dbraw/zinc/68/28/62/1071682862.db2.gz ONEVKIJEPJMSGN-UHFFFAOYSA-N 1 0 371.525 2.507 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001544892102 1071707776 /nfs/dbraw/zinc/70/77/76/1071707776.db2.gz MNMJSRJCCCISJF-IEBWSBKVSA-N 1 0 359.514 2.854 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001446815254 1058555716 /nfs/dbraw/zinc/55/57/16/1058555716.db2.gz KAGSZTQCJZEHFZ-UHFFFAOYSA-N 1 0 370.877 2.525 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001452022639 1059173056 /nfs/dbraw/zinc/17/30/56/1059173056.db2.gz DJHGHTNYJMJOLL-QZTJIDSGSA-N 1 0 359.514 2.758 20 10 FFCDRO COc1ccc2c(c1)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000848393522 1059926029 /nfs/dbraw/zinc/92/60/29/1059926029.db2.gz FWEQFHMLXCDYAN-PZJWPPBQSA-N 1 0 367.493 2.997 20 10 FFCDRO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000848561533 1060281562 /nfs/dbraw/zinc/28/15/62/1060281562.db2.gz XYNSXKGFGFEXQK-HXUWFJFHSA-N 1 0 351.450 2.566 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)COc2ccc(CCC[NH3+])cc2)cc1 ZINC001521556062 1060964170 /nfs/dbraw/zinc/96/41/70/1060964170.db2.gz ROJFGWGNBIFEHO-UHFFFAOYSA-N 1 0 355.482 2.681 20 10 FFCDRO CN(C)c1ccc([C@H](CNS(=O)(=O)CC2CCCCC2)[NH+](C)C)cc1 ZINC001475765656 1061260846 /nfs/dbraw/zinc/26/08/46/1061260846.db2.gz ABGQYNVYHQZQJR-IBGZPJMESA-N 1 0 367.559 2.855 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCCNc3ccccn3)cc2F)CC1 ZINC001461260083 1061269313 /nfs/dbraw/zinc/26/93/13/1061269313.db2.gz FBJRRNZSIUVUSW-UHFFFAOYSA-N 1 0 357.477 2.564 20 10 FFCDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461418592 1061314775 /nfs/dbraw/zinc/31/47/75/1061314775.db2.gz XWWZIQHKPKBMFE-LJQANCHMSA-N 1 0 351.510 2.710 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC001461676821 1061376042 /nfs/dbraw/zinc/37/60/42/1061376042.db2.gz OTCRMLYJAKXHAA-IAQYHMDHSA-N 1 0 361.364 2.986 20 10 FFCDRO Fc1cc(F)c2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001461811639 1061413226 /nfs/dbraw/zinc/41/32/26/1061413226.db2.gz GCBSCJNUARIBAB-KRWDZBQOSA-N 1 0 360.404 2.895 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000765797752 1061583781 /nfs/dbraw/zinc/58/37/81/1061583781.db2.gz RSWUTKQUDUNMAI-CVEARBPZSA-N 1 0 360.458 2.589 20 10 FFCDRO CO[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001479533588 1062504115 /nfs/dbraw/zinc/50/41/15/1062504115.db2.gz HLQNUWHLHKEYMO-QZTJIDSGSA-N 1 0 364.534 2.716 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001464694226 1062766434 /nfs/dbraw/zinc/76/64/34/1062766434.db2.gz JIGWZLCJSGXANP-AWEZNQCLSA-N 1 0 369.456 2.961 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@]3(C)C=CCC3)CC2)cc1 ZINC001531524333 1062791218 /nfs/dbraw/zinc/79/12/18/1062791218.db2.gz JPPSIJCCJJRLBA-NRFANRHFSA-N 1 0 357.498 2.680 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[N@H+](C)C2CC2)CCCC1 ZINC001442340880 1063524014 /nfs/dbraw/zinc/52/40/14/1063524014.db2.gz ZTCUWXWFQRWKJR-UHFFFAOYSA-N 1 0 355.482 2.739 20 10 FFCDRO CC[C@H](C)[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC001470242514 1064286361 /nfs/dbraw/zinc/28/63/61/1064286361.db2.gz BIYFNKQDNLOLQY-ZYSHUDEJSA-N 1 0 364.534 2.716 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[N@H+](C)CC2(C)C)CCCC1 ZINC001472029335 1064898804 /nfs/dbraw/zinc/89/88/04/1064898804.db2.gz OJIPBZYVGRCCOL-HXUWFJFHSA-N 1 0 369.509 2.985 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3cc[nH]c3n2)[NH+](C)C)cc1 ZINC001472280508 1064998202 /nfs/dbraw/zinc/99/82/02/1064998202.db2.gz FOMCNIDLKSUSKP-SFHVURJKSA-N 1 0 351.454 2.662 20 10 FFCDRO CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1C[C@H]2C[NH2+]C[C@@H]12 ZINC001577012459 1078294152 /nfs/dbraw/zinc/29/41/52/1078294152.db2.gz SEJTVDTUZLFCOF-LEUOFYLZSA-N 1 0 369.513 2.989 20 10 FFCDRO CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC[C@H](C[NH2+]C)C2)cc1 ZINC001577699638 1078389099 /nfs/dbraw/zinc/38/90/99/1078389099.db2.gz PNAWLMKZHAWFHK-LJQANCHMSA-N 1 0 370.545 2.917 20 10 FFCDRO CN(C)c1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC001578997272 1078560495 /nfs/dbraw/zinc/56/04/95/1078560495.db2.gz ZZIFHIVWCZRWMA-UHFFFAOYSA-N 1 0 358.833 2.582 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001557898527 1075907877 /nfs/dbraw/zinc/90/78/77/1075907877.db2.gz WBCJRJGLLLKDPK-ACMHHVSHSA-N 1 0 366.461 2.995 20 10 FFCDRO CC(C)C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1ccnc1 ZINC001558722720 1076063573 /nfs/dbraw/zinc/06/35/73/1076063573.db2.gz ACICGQZSODHPDT-UXHICEINSA-N 1 0 371.529 2.955 20 10 FFCDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1O ZINC001560075021 1076222594 /nfs/dbraw/zinc/22/25/94/1076222594.db2.gz OPIBXXCUPPTGEL-LBPRGKRZSA-N 1 0 357.366 2.949 20 10 FFCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001560283964 1076260297 /nfs/dbraw/zinc/26/02/97/1076260297.db2.gz ULUJMMDZWNQKBT-IBGZPJMESA-N 1 0 366.509 2.744 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cnn(CC(F)(F)F)c3)cc2)CC1 ZINC001560400068 1076270818 /nfs/dbraw/zinc/27/08/18/1076270818.db2.gz RYCYZMAWXNPJEC-UHFFFAOYSA-N 1 0 353.392 2.809 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)cc1F ZINC001560546492 1076278640 /nfs/dbraw/zinc/27/86/40/1076278640.db2.gz XMBRWZPBYWLPHV-HXUWFJFHSA-N 1 0 370.516 2.798 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001563791539 1076583111 /nfs/dbraw/zinc/58/31/11/1076583111.db2.gz BQUFIUVONVPFKX-SFHVURJKSA-N 1 0 358.530 2.942 20 10 FFCDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCCO1 ZINC001564494009 1076637783 /nfs/dbraw/zinc/63/77/83/1076637783.db2.gz HTHYUNPICRSTDE-OTWHNJEPSA-N 1 0 362.518 2.612 20 10 FFCDRO C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1O ZINC001587447125 1079793734 /nfs/dbraw/zinc/79/37/34/1079793734.db2.gz JRYRWZSHSWKOOW-QGZVFWFLSA-N 1 0 353.466 2.782 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000054176128 506507541 /nfs/dbraw/zinc/50/75/41/506507541.db2.gz NWRJUHCJTRIKML-AWEZNQCLSA-N 1 0 360.479 2.723 20 10 FFCDRO CCN(C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)S(C)(=O)=O ZINC000066859403 506669932 /nfs/dbraw/zinc/66/99/32/506669932.db2.gz CHSSSZXBCINQQQ-UHFFFAOYSA-N 1 0 362.495 2.791 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000067010751 506725951 /nfs/dbraw/zinc/72/59/51/506725951.db2.gz MHSLFLIQYVLIFM-HNNXBMFYSA-N 1 0 361.511 2.854 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccccc3O)cc2F)CC1 ZINC000106922439 507829641 /nfs/dbraw/zinc/82/96/41/507829641.db2.gz FEKGGIQEYQUWIW-UHFFFAOYSA-N 1 0 371.456 2.532 20 10 FFCDRO COc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1O ZINC000073628300 507940365 /nfs/dbraw/zinc/94/03/65/507940365.db2.gz NIQOZGLVUCYXRY-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403780 508096922 /nfs/dbraw/zinc/09/69/22/508096922.db2.gz VPRKSXJGAJHPSA-UHFFFAOYSA-N 1 0 373.541 2.648 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3ccccc3)CCC1)cc2=O ZINC000104664573 508339934 /nfs/dbraw/zinc/33/99/34/508339934.db2.gz OKCJHSUVRPKXKA-UHFFFAOYSA-N 1 0 366.421 2.781 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C2(CC(=O)OC)CCOCC2)cc1F ZINC000152524323 508463521 /nfs/dbraw/zinc/46/35/21/508463521.db2.gz YOQWWSOVJVRDBG-UHFFFAOYSA-N 1 0 352.450 2.874 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000371451529 512409691 /nfs/dbraw/zinc/40/96/91/512409691.db2.gz RYJMLOFQEKPBQU-UGKGYDQZSA-N 1 0 370.493 2.738 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000119914732 508889639 /nfs/dbraw/zinc/88/96/39/508889639.db2.gz NMMSDYXHPPDUHQ-ROUUACIJSA-N 1 0 361.530 2.753 20 10 FFCDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000161742011 509149491 /nfs/dbraw/zinc/14/94/91/509149491.db2.gz IKXDGTQHEVUXMD-OAHLLOKOSA-N 1 0 364.461 2.999 20 10 FFCDRO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264164519 509359038 /nfs/dbraw/zinc/35/90/38/509359038.db2.gz LFDAIIQQCLKWCZ-SFHVURJKSA-N 1 0 353.466 2.756 20 10 FFCDRO CN(C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)C(=O)OC(C)(C)C ZINC000264301988 509444444 /nfs/dbraw/zinc/44/44/44/509444444.db2.gz RQSUBZDJHGLVQG-CYBMUJFWSA-N 1 0 364.442 2.810 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2=O)cc1 ZINC000186050101 509499604 /nfs/dbraw/zinc/49/96/04/509499604.db2.gz IUFFBJCENFDROQ-LIRRHRJNSA-N 1 0 370.449 2.861 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3ccccc3c1O)CC2 ZINC000186103016 509522633 /nfs/dbraw/zinc/52/26/33/509522633.db2.gz SXOUREHBSBWIKH-HIFRSBDPSA-N 1 0 352.438 2.949 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC3(C(=O)N(C)C)CCCC3)CC2)cc1 ZINC000165105371 509556941 /nfs/dbraw/zinc/55/69/41/509556941.db2.gz BAQVBNQOZZYMQG-UHFFFAOYSA-N 1 0 359.514 2.902 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179677933 509570192 /nfs/dbraw/zinc/57/01/92/509570192.db2.gz ROMRBMDNAJRYDK-UHFFFAOYSA-N 1 0 360.907 2.648 20 10 FFCDRO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000237964530 509787354 /nfs/dbraw/zinc/78/73/54/509787354.db2.gz PRPSBCYTRZKTAU-BFHYXJOUSA-N 1 0 353.413 2.500 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268162701 509788578 /nfs/dbraw/zinc/78/85/78/509788578.db2.gz PAEHSYIHIBVLHX-AYOQOUSVSA-N 1 0 373.497 2.566 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174172490 509983013 /nfs/dbraw/zinc/98/30/13/509983013.db2.gz WWUKTTGUIMEQHW-LJQANCHMSA-N 1 0 356.514 2.914 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000180652294 510036324 /nfs/dbraw/zinc/03/63/24/510036324.db2.gz LPUOMUVPWKVMMZ-GQCTYLIASA-N 1 0 362.495 2.589 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000268930733 510144357 /nfs/dbraw/zinc/14/43/57/510144357.db2.gz MCKGZSONLACXHN-QGZVFWFLSA-N 1 0 359.514 2.965 20 10 FFCDRO C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191206083 510547914 /nfs/dbraw/zinc/54/79/14/510547914.db2.gz DCIRUPSOXTVUIC-ZDUSSCGKSA-N 1 0 362.424 2.668 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)NCc2cccc(OC)c2O)[NH+](C)C)c1 ZINC000266720265 510749306 /nfs/dbraw/zinc/74/93/06/510749306.db2.gz SSMBQOAWMDVDJO-QGZVFWFLSA-N 1 0 373.453 2.512 20 10 FFCDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc2ccccc2c1O ZINC000185256547 510776240 /nfs/dbraw/zinc/77/62/40/510776240.db2.gz QRWVOCOVMVXXRZ-AWEZNQCLSA-N 1 0 362.495 2.868 20 10 FFCDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834146 510796012 /nfs/dbraw/zinc/79/60/12/510796012.db2.gz QTOYVKZPVPRRGT-KBPBESRZSA-N 1 0 353.413 2.515 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1O ZINC000360775640 510947541 /nfs/dbraw/zinc/94/75/41/510947541.db2.gz JQWBQMJUTHCLGA-WMZOPIPTSA-N 1 0 373.428 2.785 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277322427 510960699 /nfs/dbraw/zinc/96/06/99/510960699.db2.gz DORBAJCQONBLSW-KBPBESRZSA-N 1 0 368.275 2.581 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)ccc1OC ZINC000278493126 510995866 /nfs/dbraw/zinc/99/58/66/510995866.db2.gz LRLPFONKZYVIFC-GOSISDBHSA-N 1 0 358.486 2.724 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162557 511042815 /nfs/dbraw/zinc/04/28/15/511042815.db2.gz BTTXNPXRCZGNKU-ZIAGYGMSSA-N 1 0 373.409 2.962 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000287922559 511060348 /nfs/dbraw/zinc/06/03/48/511060348.db2.gz CVJUETMMMUXFBM-NSHDSACASA-N 1 0 358.280 2.636 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)cc1F ZINC000288486864 511077576 /nfs/dbraw/zinc/07/75/76/511077576.db2.gz QLRSMVXQZVBUMM-INIZCTEOSA-N 1 0 359.445 2.992 20 10 FFCDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289567541 511105544 /nfs/dbraw/zinc/10/55/44/511105544.db2.gz ZHNUZSMOYOGNPK-ZDUSSCGKSA-N 1 0 374.437 2.925 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295024172 511255804 /nfs/dbraw/zinc/25/58/04/511255804.db2.gz HRJUJBKEIUHXGQ-KGLIPLIRSA-N 1 0 350.434 2.964 20 10 FFCDRO COc1ccc(O)c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000362953585 511277933 /nfs/dbraw/zinc/27/79/33/511277933.db2.gz XDLBYDVEPPJYNL-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1c(O)cccc1Cl ZINC000280073015 511325303 /nfs/dbraw/zinc/32/53/03/511325303.db2.gz ZHUKNYKXEWSOEM-KBPBESRZSA-N 1 0 366.868 2.824 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272049668 511412681 /nfs/dbraw/zinc/41/26/81/511412681.db2.gz HHAPLQHYWMHWSM-SUMWQHHRSA-N 1 0 370.419 2.977 20 10 FFCDRO CC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272079307 511424565 /nfs/dbraw/zinc/42/45/65/511424565.db2.gz KOKMJCYMLPXBHO-RDJZCZTQSA-N 1 0 370.419 2.977 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000295587778 511453370 /nfs/dbraw/zinc/45/33/70/511453370.db2.gz XGWHMEDIZGDPIB-UHFFFAOYSA-N 1 0 350.434 2.965 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273301041 511522237 /nfs/dbraw/zinc/52/22/37/511522237.db2.gz BHEJUVILERWKKP-OAHLLOKOSA-N 1 0 371.437 2.983 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1 ZINC000273484174 511529658 /nfs/dbraw/zinc/52/96/58/511529658.db2.gz VDIAIRLSFGVTGR-KDOFPFPSSA-N 1 0 355.438 2.638 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000296162947 511640268 /nfs/dbraw/zinc/64/02/68/511640268.db2.gz YWMXSJYFKOZQJW-DYESRHJHSA-N 1 0 360.498 2.682 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(Br)cc1O ZINC000284251870 511656266 /nfs/dbraw/zinc/65/62/66/511656266.db2.gz INKCUEJYIZHBHU-NVBFEUDRSA-N 1 0 360.292 2.963 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000301970243 511704903 /nfs/dbraw/zinc/70/49/03/511704903.db2.gz DDFRYNNPHVLTNN-UHFFFAOYSA-N 1 0 363.469 2.871 20 10 FFCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000281167226 511745423 /nfs/dbraw/zinc/74/54/23/511745423.db2.gz QHJRRKZQQPCUJQ-NRFANRHFSA-N 1 0 354.450 2.929 20 10 FFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(CO)c1 ZINC000366000157 511775834 /nfs/dbraw/zinc/77/58/34/511775834.db2.gz JYYLPTZPRHHOPK-GOSISDBHSA-N 1 0 374.868 2.932 20 10 FFCDRO COC1CCN(c2ccc(CN3CC(=O)N[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000296879914 511935340 /nfs/dbraw/zinc/93/53/40/511935340.db2.gz WXFMJLCCFPTWCU-WOJBJXKFSA-N 1 0 357.498 2.545 20 10 FFCDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)C1 ZINC000296938505 511958442 /nfs/dbraw/zinc/95/84/42/511958442.db2.gz BMRWKYNVUIXGEH-OAQYLSRUSA-N 1 0 356.514 2.914 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364213398 512023180 /nfs/dbraw/zinc/02/31/80/512023180.db2.gz LEJKETJEHDBVIN-BBTUJRGHSA-N 1 0 359.514 2.682 20 10 FFCDRO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(C)cc1O ZINC000366443137 512026284 /nfs/dbraw/zinc/02/62/84/512026284.db2.gz FPSYUADFDJADQA-PKOBYXMFSA-N 1 0 350.528 2.949 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(C)cc1O ZINC000366443136 512026405 /nfs/dbraw/zinc/02/64/05/512026405.db2.gz FPSYUADFDJADQA-MJGOQNOKSA-N 1 0 350.528 2.949 20 10 FFCDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)C1 ZINC000297128303 512029696 /nfs/dbraw/zinc/02/96/96/512029696.db2.gz GUAJTTGVRWAOPQ-NRFANRHFSA-N 1 0 354.498 2.690 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275154237 512057634 /nfs/dbraw/zinc/05/76/34/512057634.db2.gz UVLGVIODNZGOTO-JTQLQIEISA-N 1 0 350.768 2.854 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)cc1 ZINC000371581353 512477598 /nfs/dbraw/zinc/47/75/98/512477598.db2.gz QVNSFKCSFPKTSB-KRWDZBQOSA-N 1 0 372.513 2.567 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000373830653 512527061 /nfs/dbraw/zinc/52/70/61/512527061.db2.gz DREMVHAWZCXTNY-UHFFFAOYSA-N 1 0 354.498 2.879 20 10 FFCDRO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000435920466 513716671 /nfs/dbraw/zinc/71/66/71/513716671.db2.gz KCCCHICJPYXHMH-LJQANCHMSA-N 1 0 369.509 2.949 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000472014547 515084677 /nfs/dbraw/zinc/08/46/77/515084677.db2.gz WFTYOPBJBIQROI-LJQANCHMSA-N 1 0 360.527 2.723 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C2(CO)CC2)C1 ZINC000617899141 520772116 /nfs/dbraw/zinc/77/21/16/520772116.db2.gz QXFRDWDYGGALPO-INIZCTEOSA-N 1 0 369.509 2.685 20 10 FFCDRO c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823756739 606410064 /nfs/dbraw/zinc/41/00/64/606410064.db2.gz GPGMJUBBSAXGQZ-UHFFFAOYSA-N 1 0 372.523 2.771 20 10 FFCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154690280 728809991 /nfs/dbraw/zinc/80/99/91/728809991.db2.gz YCQOWDNPXSQDCK-CJFMBICVSA-N 1 0 358.507 2.733 20 10 FFCDRO CCc1cccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1O ZINC000898398622 735355407 /nfs/dbraw/zinc/35/54/07/735355407.db2.gz LFSNMHMCAHCWME-XMMPIXPASA-N 1 0 353.532 2.741 20 10 FFCDRO CS[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899097782 735447003 /nfs/dbraw/zinc/44/70/03/735447003.db2.gz GRGUPPIXHBOMQG-IAGOWNOFSA-N 1 0 350.532 2.502 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cscn2)[NH+](C)C)cc1 ZINC000899102590 735447851 /nfs/dbraw/zinc/44/78/51/735447851.db2.gz QXFSJIAYSMVBKG-KRWDZBQOSA-N 1 0 361.515 2.653 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)OCO2 ZINC000107713738 728517251 /nfs/dbraw/zinc/51/72/51/728517251.db2.gz PPLWWMVBAWJCJT-CQSZACIVSA-N 1 0 355.312 2.963 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)COc2ccccc2Br)c1 ZINC000131039761 728721315 /nfs/dbraw/zinc/72/13/15/728721315.db2.gz GWEPGEUQJRMJMG-CQSZACIVSA-N 1 0 366.255 2.993 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000179888583 729198003 /nfs/dbraw/zinc/19/80/03/729198003.db2.gz MRIOJHXPMLQEQK-LBPRGKRZSA-N 1 0 358.232 2.691 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000185157783 729343128 /nfs/dbraw/zinc/34/31/28/729343128.db2.gz WLGPWRFBSJZVFD-UHFFFAOYSA-N 1 0 359.495 2.938 20 10 FFCDRO CCOCc1cc(C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)ccc1OC ZINC000186576536 729366783 /nfs/dbraw/zinc/36/67/83/729366783.db2.gz HMWUJDDGUVWTPC-ICSRJNTNSA-N 1 0 351.487 2.887 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924905024 738460924 /nfs/dbraw/zinc/46/09/24/738460924.db2.gz FEOGBLQABSRNIM-INIZCTEOSA-N 1 0 356.413 2.998 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858186661 730419160 /nfs/dbraw/zinc/41/91/60/730419160.db2.gz IIISGTOPAVUIBO-LALPHHSUSA-N 1 0 358.276 2.810 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3nc(C)cs3)CC2)cc1 ZINC000858358353 730423780 /nfs/dbraw/zinc/42/37/80/730423780.db2.gz DALDETKHYVDGJP-INIZCTEOSA-N 1 0 360.527 2.933 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CCCO1 ZINC000862247316 730681450 /nfs/dbraw/zinc/68/14/50/730681450.db2.gz ZYDWAQYYACYMBT-GFCCVEGCSA-N 1 0 372.259 2.699 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000862514469 730705809 /nfs/dbraw/zinc/70/58/09/730705809.db2.gz NMDAESJOWUFYTQ-LBPRGKRZSA-N 1 0 374.840 2.910 20 10 FFCDRO CC1(N2CCOCC2)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862504568 730705840 /nfs/dbraw/zinc/70/58/40/730705840.db2.gz HGLIAQIFXJJVAW-UHFFFAOYSA-N 1 0 369.303 2.841 20 10 FFCDRO COc1cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(O)c(C(C)(C)C)c1 ZINC000862518711 730706128 /nfs/dbraw/zinc/70/61/28/730706128.db2.gz GGBKSQANNWGIOC-BGYRXZFFSA-N 1 0 351.487 2.511 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000863324247 730768981 /nfs/dbraw/zinc/76/89/81/730768981.db2.gz UHFQWIRCFHXYEN-QGZVFWFLSA-N 1 0 361.873 2.544 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)cc1 ZINC000868035224 731253449 /nfs/dbraw/zinc/25/34/49/731253449.db2.gz OSDNMKDURZDQJI-YOEHRIQHSA-N 1 0 356.495 2.530 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)cc1 ZINC000868035222 731253472 /nfs/dbraw/zinc/25/34/72/731253472.db2.gz OSDNMKDURZDQJI-RHSMWYFYSA-N 1 0 356.495 2.530 20 10 FFCDRO CN(C)[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000922752467 738195821 /nfs/dbraw/zinc/19/58/21/738195821.db2.gz QZQPEGIIFJXXMK-MRXNPFEDSA-N 1 0 363.399 2.635 20 10 FFCDRO CC(C)[C@H]1CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[N@@H+]1C ZINC000870983036 731583227 /nfs/dbraw/zinc/58/32/27/731583227.db2.gz OQCGMFIFYIVNHD-QGZVFWFLSA-N 1 0 358.511 2.728 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797418 731832801 /nfs/dbraw/zinc/83/28/01/731832801.db2.gz YTWGKMGFAWVIFP-GOEBONIOSA-N 1 0 351.512 2.865 20 10 FFCDRO O=C1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1 ZINC000873063817 731870043 /nfs/dbraw/zinc/87/00/43/731870043.db2.gz FVBAKPMECKMAFM-KGLIPLIRSA-N 1 0 353.413 2.515 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)cc1F ZINC000877027596 732314846 /nfs/dbraw/zinc/31/48/46/732314846.db2.gz PUXFGCDFHAMLQU-UHFFFAOYSA-N 1 0 365.474 2.609 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000877093724 732323167 /nfs/dbraw/zinc/32/31/67/732323167.db2.gz CVVRLVANDURGPG-XLIONFOSSA-N 1 0 362.539 2.792 20 10 FFCDRO CN(Cc1cccn(C(F)F)c1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000877343266 732347403 /nfs/dbraw/zinc/34/74/03/732347403.db2.gz XCDUGTZGVYUMEB-UHFFFAOYSA-N 1 0 351.397 2.820 20 10 FFCDRO C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cnc(N)nc3N)cc2Cl)C1 ZINC000877497819 732373577 /nfs/dbraw/zinc/37/35/77/732373577.db2.gz CLNOIOFSVYRMMP-LBPRGKRZSA-N 1 0 360.893 2.821 20 10 FFCDRO Cc1ncc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000879212250 732665857 /nfs/dbraw/zinc/66/58/57/732665857.db2.gz XOKHWCNGGHHVRI-OAHLLOKOSA-N 1 0 363.845 2.665 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000926946170 738671243 /nfs/dbraw/zinc/67/12/43/738671243.db2.gz MYNZREBPWMKXGO-ZLHSVIROSA-N 1 0 366.889 2.631 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCCSc1nccs1 ZINC000886528856 733800520 /nfs/dbraw/zinc/80/05/20/733800520.db2.gz SIVAKTQGBHSEOH-LLVKDONJSA-N 1 0 352.485 2.733 20 10 FFCDRO COCc1sccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246408 734403911 /nfs/dbraw/zinc/40/39/11/734403911.db2.gz NKFGZAAITMRGPQ-QGZVFWFLSA-N 1 0 361.511 2.993 20 10 FFCDRO COCc1csc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891248193 734404684 /nfs/dbraw/zinc/40/46/84/734404684.db2.gz WTKCHWPIXWDICO-QGZVFWFLSA-N 1 0 361.511 2.993 20 10 FFCDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000891813274 734478988 /nfs/dbraw/zinc/47/89/88/734478988.db2.gz JLZMNEXZWXTHBP-NJZAAPMLSA-N 1 0 358.408 2.592 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000783700528 738827333 /nfs/dbraw/zinc/82/73/33/738827333.db2.gz GQHSRPHASAVANF-ZDUSSCGKSA-N 1 0 371.319 2.740 20 10 FFCDRO Cc1ncsc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892812044 734607395 /nfs/dbraw/zinc/60/73/95/734607395.db2.gz JQBMQPKQICCOMD-MRXNPFEDSA-N 1 0 361.515 2.620 20 10 FFCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000893978721 734781025 /nfs/dbraw/zinc/78/10/25/734781025.db2.gz VOEXTHXKTKRMQP-CYBMUJFWSA-N 1 0 364.467 2.550 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C ZINC000733330729 734809446 /nfs/dbraw/zinc/80/94/46/734809446.db2.gz KNRVONQULKMTGN-UHFFFAOYSA-N 1 0 358.507 2.828 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000894193346 734815440 /nfs/dbraw/zinc/81/54/40/734815440.db2.gz IVRIEIDMGCCYGR-UHFFFAOYSA-N 1 0 364.442 2.800 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1O ZINC000894236921 734823123 /nfs/dbraw/zinc/82/31/23/734823123.db2.gz FLPALODLMBOWGX-ZDUSSCGKSA-N 1 0 353.365 2.517 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1O ZINC000895446399 735007297 /nfs/dbraw/zinc/00/72/97/735007297.db2.gz AKKNDTMAXIEWOV-UHFFFAOYSA-N 1 0 359.495 2.947 20 10 FFCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740006450 735064832 /nfs/dbraw/zinc/06/48/32/735064832.db2.gz NLXZLNWLDWICLW-CXAGYDPISA-N 1 0 353.488 2.787 20 10 FFCDRO CSC[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740899518 735097638 /nfs/dbraw/zinc/09/76/38/735097638.db2.gz CMJFFWHTUZRSED-HNNXBMFYSA-N 1 0 353.488 2.789 20 10 FFCDRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000897177162 735201744 /nfs/dbraw/zinc/20/17/44/735201744.db2.gz KJHHGXRFMFTLKM-HNNXBMFYSA-N 1 0 370.287 2.908 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC000749131153 735696995 /nfs/dbraw/zinc/69/69/95/735696995.db2.gz GMXLQEGJUWCXPZ-MRXNPFEDSA-N 1 0 350.528 2.980 20 10 FFCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000751152777 735849387 /nfs/dbraw/zinc/84/93/87/735849387.db2.gz OZYYWPHTAJHHMN-RUZDIDTESA-N 1 0 362.470 2.690 20 10 FFCDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCCSc2nccs2)c1 ZINC000752265667 735972874 /nfs/dbraw/zinc/97/28/74/735972874.db2.gz NQWROMPTXKDLPZ-UHFFFAOYSA-N 1 0 357.526 2.787 20 10 FFCDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000903188532 736051596 /nfs/dbraw/zinc/05/15/96/736051596.db2.gz FESGXSCAOJEEJZ-CQSZACIVSA-N 1 0 352.500 2.610 20 10 FFCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCSC1 ZINC000903310076 736073621 /nfs/dbraw/zinc/07/36/21/736073621.db2.gz JVOCGDVFSBHWAQ-KBXCAEBGSA-N 1 0 354.491 2.835 20 10 FFCDRO C[C@](O)(C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F ZINC000905134683 736301182 /nfs/dbraw/zinc/30/11/82/736301182.db2.gz KZXNNJGWTZPATR-ZBEGNZNMSA-N 1 0 350.356 2.863 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)s2)c1 ZINC000756680682 736351702 /nfs/dbraw/zinc/35/17/02/736351702.db2.gz AMIXTLBZWVSJJU-NSHDSACASA-N 1 0 370.496 2.563 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000757706266 736421261 /nfs/dbraw/zinc/42/12/61/736421261.db2.gz VWDXGNHORHBHRP-DOMZBBRYSA-N 1 0 370.490 2.731 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1O ZINC000761214257 736708379 /nfs/dbraw/zinc/70/83/79/736708379.db2.gz BPLHBRKBNBFOEN-UHFFFAOYSA-N 1 0 367.854 2.674 20 10 FFCDRO C[C@@H](CNC(=O)NCc1cccc(Br)c1O)C[NH+]1CCCC1 ZINC000764790191 737050106 /nfs/dbraw/zinc/05/01/06/737050106.db2.gz IBANUWSSBISFGD-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765279580 737103895 /nfs/dbraw/zinc/10/38/95/737103895.db2.gz NGHXKWAHWBCCNW-MRXNPFEDSA-N 1 0 361.511 2.523 20 10 FFCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](O)C(F)(F)F ZINC000765790400 737158920 /nfs/dbraw/zinc/15/89/20/737158920.db2.gz WNXJLEZDFSZYPM-CABZTGNLSA-N 1 0 372.181 2.955 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncc(Cl)cc2Cl)cc1 ZINC000911665438 737221595 /nfs/dbraw/zinc/22/15/95/737221595.db2.gz CFFWGQKPHHTKCQ-AWEZNQCLSA-N 1 0 353.253 2.884 20 10 FFCDRO C[C@@H]1COCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768077281 737396078 /nfs/dbraw/zinc/39/60/78/737396078.db2.gz GIARLXKCUPAHIZ-XYPHTWIQSA-N 1 0 366.889 2.799 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cncs1 ZINC000768913696 737476822 /nfs/dbraw/zinc/47/68/22/737476822.db2.gz PMFTZTJMGDJHHF-UHFFFAOYSA-N 1 0 356.495 2.605 20 10 FFCDRO CO[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000771416593 737724783 /nfs/dbraw/zinc/72/47/83/737724783.db2.gz IIIFDQKQMPPGAL-RDJZCZTQSA-N 1 0 354.878 2.797 20 10 FFCDRO CO[C@H](C)c1nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000771842691 737760815 /nfs/dbraw/zinc/76/08/15/737760815.db2.gz KHZMIODHAKTTLP-OAHLLOKOSA-N 1 0 360.527 2.892 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000773018169 737863920 /nfs/dbraw/zinc/86/39/20/737863920.db2.gz VFNYBZZGNYWGOC-IEZWGBDMSA-N 1 0 366.527 2.530 20 10 FFCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773026490 737864399 /nfs/dbraw/zinc/86/43/99/737864399.db2.gz NASKPMKNYKMXKI-HUUCEWRRSA-N 1 0 356.894 2.879 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000921744688 738036316 /nfs/dbraw/zinc/03/63/16/738036316.db2.gz QCUVYAZIFUYWAW-QGZVFWFLSA-N 1 0 366.868 2.966 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000776075923 738158892 /nfs/dbraw/zinc/15/88/92/738158892.db2.gz AAEARJVCLCBZFZ-UHFFFAOYSA-N 1 0 364.243 2.977 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922594992 738170732 /nfs/dbraw/zinc/17/07/32/738170732.db2.gz QDEIMKIWHUKSKB-UHFFFAOYSA-N 1 0 356.260 2.566 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922807597 738203864 /nfs/dbraw/zinc/20/38/64/738203864.db2.gz CTCRAEUXLJEXNL-AWEZNQCLSA-N 1 0 356.260 2.973 20 10 FFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000776868119 738239981 /nfs/dbraw/zinc/23/99/81/738239981.db2.gz GWGWYOVYVCQJJT-HZUKXOBISA-N 1 0 374.275 2.626 20 10 FFCDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007354 738252918 /nfs/dbraw/zinc/25/29/18/738252918.db2.gz LWPSGXUKSKEQFC-NHYWBVRUSA-N 1 0 350.356 2.890 20 10 FFCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000777255400 738275132 /nfs/dbraw/zinc/27/51/32/738275132.db2.gz PHJCKWKHZGTKHG-CQSZACIVSA-N 1 0 367.921 2.990 20 10 FFCDRO CC[NH+](CC)CCS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000786958513 739092882 /nfs/dbraw/zinc/09/28/82/739092882.db2.gz LOOWVIDYZLRXGX-UHFFFAOYSA-N 1 0 367.559 2.780 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1C(C)C ZINC000788386134 739240798 /nfs/dbraw/zinc/24/07/98/739240798.db2.gz HUMYADAMLDSUFW-QGZVFWFLSA-N 1 0 366.527 2.824 20 10 FFCDRO C[C@@H]1OCC[C@]12CN(Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932277 739515562 /nfs/dbraw/zinc/51/55/62/739515562.db2.gz NFIJIWYVKZLOJY-WQGACYEGSA-N 1 0 356.260 2.923 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)CN1CCOCC1 ZINC000792993185 739727657 /nfs/dbraw/zinc/72/76/57/739727657.db2.gz WIYRPPVSMMSECQ-AWEZNQCLSA-N 1 0 359.436 2.829 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CCCCn1cc(Br)cn1 ZINC000793208418 739752794 /nfs/dbraw/zinc/75/27/94/739752794.db2.gz ZUDZNOQUPPLWSO-UHFFFAOYSA-N 1 0 354.248 2.930 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 ZINC000934752872 739832999 /nfs/dbraw/zinc/83/29/99/739832999.db2.gz RXQLOWWTDXVHFA-VWLOTQADSA-N 1 0 366.575 2.929 20 10 FFCDRO CC[C@@](C)(OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795185722 739979542 /nfs/dbraw/zinc/97/95/42/739979542.db2.gz HNUHEAUFDBLLET-MAUKXSAKSA-N 1 0 354.878 2.941 20 10 FFCDRO CC[C@@](C)(OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795185721 739979569 /nfs/dbraw/zinc/97/95/69/739979569.db2.gz HNUHEAUFDBLLET-CRAIPNDOSA-N 1 0 354.878 2.941 20 10 FFCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000797903895 740285410 /nfs/dbraw/zinc/28/54/10/740285410.db2.gz IGAJQMLBVYXNGE-RUZDIDTESA-N 1 0 365.499 2.976 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000797902018 740285458 /nfs/dbraw/zinc/28/54/58/740285458.db2.gz PIGRCPKUZHUHKX-FQEVSTJZSA-N 1 0 362.289 2.554 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000798963447 740378054 /nfs/dbraw/zinc/37/80/54/740378054.db2.gz DZPZEJOCNRMSEN-IBGZPJMESA-N 1 0 351.443 2.583 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000805071501 740934916 /nfs/dbraw/zinc/93/49/16/740934916.db2.gz WAECQQXGSHOSCX-KBPBESRZSA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C[N@@H+]1C1CC1 ZINC000805191010 740948647 /nfs/dbraw/zinc/94/86/47/740948647.db2.gz NNKCPVFHVCATLH-GXFFZTMASA-N 1 0 368.275 2.579 20 10 FFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806961442 741098328 /nfs/dbraw/zinc/09/83/28/741098328.db2.gz QPTVJVHFCNZGQG-ZIAGYGMSSA-N 1 0 354.545 2.894 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Cl)cc(C)c3O)C2=O)n(C)n1 ZINC000808706686 741254477 /nfs/dbraw/zinc/25/44/77/741254477.db2.gz RCUCXGKIRFDUTR-DOMZBBRYSA-N 1 0 362.861 2.852 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000809689158 741331563 /nfs/dbraw/zinc/33/15/63/741331563.db2.gz VYLYDACAZZWKEO-GOSISDBHSA-N 1 0 367.559 2.636 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000809690292 741331999 /nfs/dbraw/zinc/33/19/99/741331999.db2.gz MITKXEOWSZOJEG-GFCCVEGCSA-N 1 0 360.376 2.681 20 10 FFCDRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816556259 742041656 /nfs/dbraw/zinc/04/16/56/742041656.db2.gz DQTYLKXVVZUQJA-UHFFFAOYSA-N 1 0 360.479 2.592 20 10 FFCDRO Cn1c(=O)oc2cc(C[NH2+]Cc3cc(Br)ccc3O)ccc21 ZINC000816608598 742046744 /nfs/dbraw/zinc/04/67/44/742046744.db2.gz DLIHMBZABHVRIL-UHFFFAOYSA-N 1 0 363.211 2.889 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)[C@@H]1n1cccn1 ZINC000816672284 742052328 /nfs/dbraw/zinc/05/23/28/742052328.db2.gz VOYWQKTYKWVATG-FMKPAKJESA-N 1 0 351.834 2.759 20 10 FFCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887942 742220950 /nfs/dbraw/zinc/22/09/50/742220950.db2.gz HJEACFISVQNVRV-DYVFJYSZSA-N 1 0 357.420 2.630 20 10 FFCDRO C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000817888979 742221024 /nfs/dbraw/zinc/22/10/24/742221024.db2.gz QNXMHLPDUYUASP-CXAGYDPISA-N 1 0 357.420 2.772 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000817960079 742224216 /nfs/dbraw/zinc/22/42/16/742224216.db2.gz WWFQYPNWGCVWCM-SMDDNHRTSA-N 1 0 355.276 2.891 20 10 FFCDRO CS[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000821893103 742676374 /nfs/dbraw/zinc/67/63/74/742676374.db2.gz CUGNZSPSQPOZPO-GJZGRUSLSA-N 1 0 361.471 2.501 20 10 FFCDRO CCC[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824521070 743099259 /nfs/dbraw/zinc/09/92/59/743099259.db2.gz BKJUSTYFGKRKKJ-ZDUSSCGKSA-N 1 0 362.289 2.554 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2cc(Cl)c(C)cc2O)(N2CCOCC2)C1 ZINC000825710116 743315701 /nfs/dbraw/zinc/31/57/01/743315701.db2.gz GRITUGSIEOYWRY-UHFFFAOYSA-N 1 0 368.905 2.714 20 10 FFCDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000826903338 743467303 /nfs/dbraw/zinc/46/73/03/743467303.db2.gz PJTMENVVURKSIF-KCPJHIHWSA-N 1 0 358.276 2.810 20 10 FFCDRO C[C@H]1C[C@H](N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[N@@H+]1C ZINC000830350345 745341769 /nfs/dbraw/zinc/34/17/69/745341769.db2.gz ACCVTWNTOBFJOJ-XJKSGUPXSA-N 1 0 358.511 2.871 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000830818814 745435835 /nfs/dbraw/zinc/43/58/35/745435835.db2.gz VTIZRWZPGRHWDD-MJEQTWJJSA-N 1 0 353.846 2.610 20 10 FFCDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283871 745671535 /nfs/dbraw/zinc/67/15/35/745671535.db2.gz CQUYUFWJUABXPT-FZKQIMNGSA-N 1 0 361.873 2.990 20 10 FFCDRO COc1cccc(Cl)c1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286361 745672061 /nfs/dbraw/zinc/67/20/61/745672061.db2.gz YKOPADUVAFDPGD-KRWDZBQOSA-N 1 0 361.873 2.773 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Cl)c(Cl)n2C)cc1 ZINC000832300108 745674311 /nfs/dbraw/zinc/67/43/11/745674311.db2.gz MFPDWNUMBLPOFJ-CYBMUJFWSA-N 1 0 355.269 2.828 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)ccc1O ZINC000834882854 745918526 /nfs/dbraw/zinc/91/85/26/745918526.db2.gz UBJMJCZNGZGBFS-LBPRGKRZSA-N 1 0 352.431 2.632 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000834892928 745921235 /nfs/dbraw/zinc/92/12/35/745921235.db2.gz XOMLOEGENONHRI-LBPRGKRZSA-N 1 0 361.891 2.598 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000834892935 745921285 /nfs/dbraw/zinc/92/12/85/745921285.db2.gz XPJNVAHNMIIHQY-CQSZACIVSA-N 1 0 367.511 2.515 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000835034731 745935681 /nfs/dbraw/zinc/93/56/81/745935681.db2.gz DCAAXKXXPOWAEJ-SNAWJCMRSA-N 1 0 359.495 2.927 20 10 FFCDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000835046292 745939322 /nfs/dbraw/zinc/93/93/22/745939322.db2.gz QALKZMHOWLWRBM-JZIMQPMSSA-N 1 0 355.404 2.766 20 10 FFCDRO CC[N@@H+]1CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000839144710 746787579 /nfs/dbraw/zinc/78/75/79/746787579.db2.gz JRKPGYMCMFAHKT-RDTXWAMCSA-N 1 0 353.457 2.621 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840947804 747238134 /nfs/dbraw/zinc/23/81/34/747238134.db2.gz GPTLPESZIVINQK-DOMZBBRYSA-N 1 0 360.907 2.552 20 10 FFCDRO [NH3+]CC[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000841091588 747267256 /nfs/dbraw/zinc/26/72/56/747267256.db2.gz AZHYAFNWGSNQEL-OAHLLOKOSA-N 1 0 360.380 2.954 20 10 FFCDRO Cn1ncc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1Cl ZINC000841497351 747370487 /nfs/dbraw/zinc/37/04/87/747370487.db2.gz WEUNIIROYHWQGU-IZZDOVSWSA-N 1 0 372.947 2.863 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1F ZINC000841798184 747463129 /nfs/dbraw/zinc/46/31/29/747463129.db2.gz GJWQOPNSEFBWNZ-LJQANCHMSA-N 1 0 350.482 2.861 20 10 FFCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897823 747485059 /nfs/dbraw/zinc/48/50/59/747485059.db2.gz XPBSFOXZFBTXIN-ZIAGYGMSSA-N 1 0 352.910 2.970 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000842170948 747538720 /nfs/dbraw/zinc/53/87/20/747538720.db2.gz OXOYRMMUPIRWON-LJQANCHMSA-N 1 0 361.555 2.929 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1 ZINC000842882690 747713232 /nfs/dbraw/zinc/71/32/32/747713232.db2.gz CQXKWZJMIQJWOL-LSDHHAIUSA-N 1 0 361.463 2.895 20 10 FFCDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2C(F)F)ccc1N1CCCCC1 ZINC000843124458 747777602 /nfs/dbraw/zinc/77/76/02/747777602.db2.gz BDPNOXYFQHBRJY-MRXNPFEDSA-N 1 0 354.401 2.624 20 10 FFCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843330648 747813648 /nfs/dbraw/zinc/81/36/48/747813648.db2.gz AFKZXYQEBWBVJF-JTQLQIEISA-N 1 0 365.275 2.719 20 10 FFCDRO Cc1cc(C(=O)NC(C)(C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843337117 747813928 /nfs/dbraw/zinc/81/39/28/747813928.db2.gz SZFOMBFJQAHXME-UHFFFAOYSA-N 1 0 365.275 2.719 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000843432077 747835552 /nfs/dbraw/zinc/83/55/52/747835552.db2.gz PWDUDDWJYVTBGQ-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1O ZINC000846145360 748415141 /nfs/dbraw/zinc/41/51/41/748415141.db2.gz NNEHBDBCKQBUFI-NWDGAFQWSA-N 1 0 353.365 2.770 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000846660506 748521467 /nfs/dbraw/zinc/52/14/67/748521467.db2.gz GRWULKIBIOLYTC-OAHLLOKOSA-N 1 0 354.903 2.879 20 10 FFCDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848534217 748953093 /nfs/dbraw/zinc/95/30/93/748953093.db2.gz PTRPYFPBCIXDEV-GHMZBOCLSA-N 1 0 362.264 2.865 20 10 FFCDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848539577 748954243 /nfs/dbraw/zinc/95/42/43/748954243.db2.gz LIDUTNBYLBWWMW-SNVBAGLBSA-N 1 0 373.291 2.976 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)c1O ZINC000848546564 748955779 /nfs/dbraw/zinc/95/57/79/748955779.db2.gz BLMZIBRWGMBIDE-QMMMGPOBSA-N 1 0 369.215 2.706 20 10 FFCDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848553208 748958876 /nfs/dbraw/zinc/95/88/76/748958876.db2.gz IPMFDIQTUGHBKY-ZUZCIYMTSA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(C[NH2+]C[C@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850151633 749312764 /nfs/dbraw/zinc/31/27/64/749312764.db2.gz BVPSIVOILOEGOI-HNNXBMFYSA-N 1 0 350.503 2.756 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000850434779 749364695 /nfs/dbraw/zinc/36/46/95/749364695.db2.gz CMIHKIPDGXYBMU-CEXWTWQISA-N 1 0 362.539 2.836 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1O ZINC000850485121 749371436 /nfs/dbraw/zinc/37/14/36/749371436.db2.gz XOZGGHIKNJBDBI-RWSFTLGLSA-N 1 0 374.275 2.865 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000850510157 749378105 /nfs/dbraw/zinc/37/81/05/749378105.db2.gz VPIBELGKIOBTAJ-ZBFHGGJFSA-N 1 0 363.376 2.620 20 10 FFCDRO CN(C)C(=O)C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccc(Cl)cc21 ZINC000852844385 749964120 /nfs/dbraw/zinc/96/41/20/749964120.db2.gz UDYSNQOTSSURKD-CQSZACIVSA-N 1 0 361.873 2.558 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)CSC)cc2F)CC1 ZINC000066773890 845481859 /nfs/dbraw/zinc/48/18/59/845481859.db2.gz RZVQFVOLVUNTCC-CQSZACIVSA-N 1 0 353.507 2.583 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000895815239 970981497 /nfs/dbraw/zinc/98/14/97/970981497.db2.gz YSKRCHJGBVETDY-HXUWFJFHSA-N 1 0 359.514 2.683 20 10 FFCDRO COCCCN1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001275837776 1013060526 /nfs/dbraw/zinc/06/05/26/1013060526.db2.gz MWYRCCCNKDRMRL-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO COc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc(OC)c(OC)c3O)C2)cc1 ZINC000895978011 971124285 /nfs/dbraw/zinc/12/42/85/971124285.db2.gz QVENJKJNXVZBGO-INIZCTEOSA-N 1 0 372.421 2.701 20 10 FFCDRO O=C1N(CCn2ccnc2)CC[C@@]12CCC[N@H+]2Cc1c(O)cccc1Cl ZINC001275838396 1013063077 /nfs/dbraw/zinc/06/30/77/1013063077.db2.gz WQARTHUOHJSZIB-IBGZPJMESA-N 1 0 374.872 2.509 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001275892571 1013147582 /nfs/dbraw/zinc/14/75/82/1013147582.db2.gz FLLOFEVOROXPGI-CYBMUJFWSA-N 1 0 364.873 2.838 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2C)C1 ZINC000683442470 960689318 /nfs/dbraw/zinc/68/93/18/960689318.db2.gz AARQOVRVVCHUQR-UHFFFAOYSA-N 1 0 351.454 2.780 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3ncccc3o2)[NH+](C)C)cc1 ZINC000891243104 962537761 /nfs/dbraw/zinc/53/77/61/962537761.db2.gz HSOXPUMIHZERKA-KRWDZBQOSA-N 1 0 352.438 2.927 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000891246735 962565902 /nfs/dbraw/zinc/56/59/02/962565902.db2.gz CMORWTQESWIFIQ-UXHICEINSA-N 1 0 365.477 2.842 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCc3cccc(O)c32)[NH+](C)C)cc1 ZINC000891246920 962574857 /nfs/dbraw/zinc/57/48/57/962574857.db2.gz FIOKJCSZSGRPHM-RBUKOAKNSA-N 1 0 367.493 2.907 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)COC3)[NH+](C)C)cc1 ZINC000891249844 962587003 /nfs/dbraw/zinc/58/70/03/962587003.db2.gz XDTLTJYQQODUEL-OAQYLSRUSA-N 1 0 367.493 2.744 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(O)c(F)c2)[NH+](C)C)cc1 ZINC000891249579 962587107 /nfs/dbraw/zinc/58/71/07/962587107.db2.gz RNQZRCBAYRIHNK-SFHVURJKSA-N 1 0 359.445 2.559 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2cnc3ccccc32)[NH+](C)C)cc1 ZINC000891249893 962590312 /nfs/dbraw/zinc/59/03/12/962590312.db2.gz XNZXDDOZLRDRCU-HXUWFJFHSA-N 1 0 365.481 2.521 20 10 FFCDRO CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000891255413 962622154 /nfs/dbraw/zinc/62/21/54/962622154.db2.gz OPNFWIGJHKCYMJ-HXUWFJFHSA-N 1 0 353.466 2.988 20 10 FFCDRO COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1Cn1cccn1 ZINC000873052134 1013365547 /nfs/dbraw/zinc/36/55/47/1013365547.db2.gz MNCALPBPJKHHKN-UHFFFAOYSA-N 1 0 363.461 2.560 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)cc4nc[nH]c43)cc2)CC1 ZINC001167423155 963012735 /nfs/dbraw/zinc/01/27/35/963012735.db2.gz PDBWYWJBDWEFDF-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1Cn1cccn1 ZINC000873138181 1013397708 /nfs/dbraw/zinc/39/77/08/1013397708.db2.gz OMCIHKRNYOMZQT-MSOLQXFVSA-N 1 0 363.408 2.844 20 10 FFCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1=O ZINC001276089075 1013434560 /nfs/dbraw/zinc/43/45/60/1013434560.db2.gz HIEHKNLUJDQVNB-NRFANRHFSA-N 1 0 355.482 2.648 20 10 FFCDRO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269417868 964137156 /nfs/dbraw/zinc/13/71/56/964137156.db2.gz RTZPZOOYBLWDJY-BRWVUGGUSA-N 1 0 356.470 2.515 20 10 FFCDRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c1OC ZINC000891466706 964355884 /nfs/dbraw/zinc/35/58/84/964355884.db2.gz STOLTWOAXRLDRY-UHFFFAOYSA-N 1 0 359.422 2.985 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)cc1F ZINC000891533898 964439316 /nfs/dbraw/zinc/43/93/16/964439316.db2.gz HMYLFCVJWSYBCX-CQSZACIVSA-N 1 0 372.435 2.716 20 10 FFCDRO COc1cc(C[NH+]2CCC(N3CN=NC3=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000894611533 965519462 /nfs/dbraw/zinc/51/94/62/965519462.db2.gz OQKPDJZGIRKZSC-UHFFFAOYSA-N 1 0 360.458 2.833 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccoc3C)CC2)cc1 ZINC000024088946 965841603 /nfs/dbraw/zinc/84/16/03/965841603.db2.gz URPXEABBSSXESR-UHFFFAOYSA-N 1 0 357.454 2.539 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000024088620 965842656 /nfs/dbraw/zinc/84/26/56/965842656.db2.gz KEOWJBJDWQSONC-GOSISDBHSA-N 1 0 357.498 2.680 20 10 FFCDRO CCc1noc(C)c1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895048483 967219247 /nfs/dbraw/zinc/21/92/47/967219247.db2.gz VNHOVYIEUNNQQD-IBGZPJMESA-N 1 0 373.501 2.714 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)Cc1ccc(F)cc1C ZINC000895073231 967397561 /nfs/dbraw/zinc/39/75/61/967397561.db2.gz FTLMYTAYWSNKBZ-KRWDZBQOSA-N 1 0 374.456 2.851 20 10 FFCDRO Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1 ZINC000895109805 967641182 /nfs/dbraw/zinc/64/11/82/967641182.db2.gz XSCZUKGNDZXHGZ-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO C[C@@H](NC(=O)NCCCCn1ccnc1)c1ccc(N2CCOCC2)cc1 ZINC000065698343 968245241 /nfs/dbraw/zinc/24/52/41/968245241.db2.gz ZVDZWGIZKBVZBE-QGZVFWFLSA-N 1 0 371.485 2.560 20 10 FFCDRO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)N(C)C)c1 ZINC000892419974 968467100 /nfs/dbraw/zinc/46/71/00/968467100.db2.gz KVCOWKRLHMUTAA-KRWDZBQOSA-N 1 0 360.454 2.811 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)cc1C ZINC000179433258 968764363 /nfs/dbraw/zinc/76/43/63/968764363.db2.gz GFMXLPCPKMAMBW-UHFFFAOYSA-N 1 0 357.410 2.940 20 10 FFCDRO CC[C@H](C)C[N@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000177854459 969362748 /nfs/dbraw/zinc/36/27/48/969362748.db2.gz LVEMTLGSAAUORF-INIZCTEOSA-N 1 0 365.493 2.647 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC34CC[NH+](C)CC4)CC2)cc1 ZINC000892676116 969806824 /nfs/dbraw/zinc/80/68/24/969806824.db2.gz XKCWXGYGFAJIKM-UHFFFAOYSA-N 1 0 372.513 2.544 20 10 FFCDRO CN1C(=O)C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1c1ccc(Cl)cc1 ZINC000125255075 1013951545 /nfs/dbraw/zinc/95/15/45/1013951545.db2.gz LNRZKPVQYQBVLS-AUUYWEPGSA-N 1 0 374.824 2.836 20 10 FFCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)c1ccccc1 ZINC000122628711 970547734 /nfs/dbraw/zinc/54/77/34/970547734.db2.gz JECJZLHIUGPEQH-HKUYNNGSSA-N 1 0 374.868 2.860 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2c1c(F)ccc2O ZINC000840780832 973126106 /nfs/dbraw/zinc/12/61/06/973126106.db2.gz OJNSVHXCERQWRI-ZBFHGGJFSA-N 1 0 364.461 2.551 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)cc1 ZINC001088216344 973698996 /nfs/dbraw/zinc/69/89/96/973698996.db2.gz CLNGMQHGRCIPMW-CVEARBPZSA-N 1 0 355.442 2.653 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CCCC1 ZINC000653128747 1014234021 /nfs/dbraw/zinc/23/40/21/1014234021.db2.gz WVQZAXHXFPZBMJ-CABCVRRESA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000653136128 1014235497 /nfs/dbraw/zinc/23/54/97/1014235497.db2.gz AIDYIYQJJKYUNT-CABCVRRESA-N 1 0 355.482 2.785 20 10 FFCDRO COCCN(C(=O)c1cccc2c1CC[NH2+]C2)c1ccc(OC)c(OC)c1 ZINC000662630859 975766651 /nfs/dbraw/zinc/76/66/51/975766651.db2.gz NXRXJEVRNNNREO-UHFFFAOYSA-N 1 0 370.449 2.643 20 10 FFCDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000876612561 1014323937 /nfs/dbraw/zinc/32/39/37/1014323937.db2.gz POCGVQKMIZESTK-KRWDZBQOSA-N 1 0 356.470 2.719 20 10 FFCDRO Cc1nn2c(C[NH2+]C[C@@H](c3ccc(N(C)C)cc3)N(C)C)c(C)nc2s1 ZINC000898450636 976461538 /nfs/dbraw/zinc/46/15/38/976461538.db2.gz SHBCBSFJVYNHMB-SFHVURJKSA-N 1 0 372.542 2.866 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000899101797 976911514 /nfs/dbraw/zinc/91/15/14/976911514.db2.gz MMARVZRHSYWFAW-FQEVSTJZSA-N 1 0 370.497 2.903 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000899103182 976913494 /nfs/dbraw/zinc/91/34/94/976913494.db2.gz XHOIIIQZYUIQTM-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876776426 1014388334 /nfs/dbraw/zinc/38/83/34/1014388334.db2.gz NFSUQTPYUUCIJR-UHFFFAOYSA-N 1 0 367.484 2.809 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876873945 1014407312 /nfs/dbraw/zinc/40/73/12/1014407312.db2.gz VXLUXTHSVSMYEM-UHFFFAOYSA-N 1 0 351.494 2.990 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000876986351 1014441707 /nfs/dbraw/zinc/44/17/07/1014441707.db2.gz CPBDXDWCUGBYEE-HNNXBMFYSA-N 1 0 357.454 2.797 20 10 FFCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000877061122 1014463693 /nfs/dbraw/zinc/46/36/93/1014463693.db2.gz YIAVLAWTKDRKCY-NRFANRHFSA-N 1 0 358.482 2.855 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)N2CCOCC2)cc1 ZINC000054152836 978293619 /nfs/dbraw/zinc/29/36/19/978293619.db2.gz OLWQBEGYPXOBSX-OAQYLSRUSA-N 1 0 368.477 2.793 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000894233494 978359793 /nfs/dbraw/zinc/35/97/93/978359793.db2.gz CQEVHGGLMLMABL-YSIASYRMSA-N 1 0 374.529 2.612 20 10 FFCDRO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172595 1014498781 /nfs/dbraw/zinc/49/87/81/1014498781.db2.gz ULSFNTZORDEINF-RLWLMLJZSA-N 1 0 372.534 2.857 20 10 FFCDRO CC[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000126440139 1014527341 /nfs/dbraw/zinc/52/73/41/1014527341.db2.gz JEWNXARLLWIHNS-INIZCTEOSA-N 1 0 362.493 2.909 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)ccc21 ZINC000877273559 1014534307 /nfs/dbraw/zinc/53/43/07/1014534307.db2.gz FJNGHXKKIUVQDF-ICSRJNTNSA-N 1 0 355.482 2.871 20 10 FFCDRO O[C@H]([C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877479507 1014594591 /nfs/dbraw/zinc/59/45/91/1014594591.db2.gz WHGVUPYXKKQUIU-CRAIPNDOSA-N 1 0 372.431 2.783 20 10 FFCDRO O[C@@H]([C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877479513 1014595541 /nfs/dbraw/zinc/59/55/41/1014595541.db2.gz WHGVUPYXKKQUIU-YJBOKZPZSA-N 1 0 372.431 2.783 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1 ZINC000877598096 1014639992 /nfs/dbraw/zinc/63/99/92/1014639992.db2.gz IHUYFMCKNLDDIV-UQPPLGOBSA-N 1 0 371.441 2.620 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@]12CCCO2 ZINC000877598410 1014640804 /nfs/dbraw/zinc/64/08/04/1014640804.db2.gz NRPISBJDZPJAPC-VRXWPRPYSA-N 1 0 360.498 2.838 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1c(C)cccc1O)Cc1ccc(OC)c(F)c1 ZINC000877603918 1014642156 /nfs/dbraw/zinc/64/21/56/1014642156.db2.gz VBYZHIPZQBIJDX-OAHLLOKOSA-N 1 0 360.429 2.543 20 10 FFCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877632141 1014654716 /nfs/dbraw/zinc/65/47/16/1014654716.db2.gz ZVLGJFUGLUIQOF-DENIHFKCSA-N 1 0 368.525 2.882 20 10 FFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000905285477 980413358 /nfs/dbraw/zinc/41/33/58/980413358.db2.gz SCSZCWKREFBREQ-IBGZPJMESA-N 1 0 362.420 2.933 20 10 FFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000905482030 980445264 /nfs/dbraw/zinc/44/52/64/980445264.db2.gz QEYHEGGHTHMVOU-OAQYLSRUSA-N 1 0 367.493 2.520 20 10 FFCDRO CCCC[C@H](CC)C[N@@H+]1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001272044874 980615107 /nfs/dbraw/zinc/61/51/07/980615107.db2.gz ZIQJVYKFOSVFHR-AWEZNQCLSA-N 1 0 362.470 2.920 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(C)nc3)CC2)cc1 ZINC000155360311 981295610 /nfs/dbraw/zinc/29/56/10/981295610.db2.gz YDUDYQZUORJKSV-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000841955878 982465461 /nfs/dbraw/zinc/46/54/61/982465461.db2.gz QGKSFHAKWZTVHP-SFHVURJKSA-N 1 0 366.509 2.975 20 10 FFCDRO CCO[C@]12CCC[C@@]1([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000897977714 982579793 /nfs/dbraw/zinc/57/97/93/982579793.db2.gz IVACQWZHLJXSNH-UXHICEINSA-N 1 0 364.461 2.828 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000878358077 1015001785 /nfs/dbraw/zinc/00/17/85/1015001785.db2.gz LNNCRQATMHMQBM-FXAWDEMLSA-N 1 0 362.514 2.620 20 10 FFCDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000651157343 1015010790 /nfs/dbraw/zinc/01/07/90/1015010790.db2.gz NFOCOMWNDYFJSM-INIZCTEOSA-N 1 0 369.509 2.987 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)nc1 ZINC000163927082 984314057 /nfs/dbraw/zinc/31/40/57/984314057.db2.gz IKBLJETXPAXHJF-UHFFFAOYSA-N 1 0 369.465 2.903 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000055034684 984315101 /nfs/dbraw/zinc/31/51/01/984315101.db2.gz LEIBHKGPRUTFLS-UHFFFAOYSA-N 1 0 356.466 2.910 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C(\C)C3CC3)CC2)cc1 ZINC000055046042 984316250 /nfs/dbraw/zinc/31/62/50/984316250.db2.gz XDBBJNXNBUXKIF-WUKNDPDISA-N 1 0 357.498 2.680 20 10 FFCDRO COc1ccc(CN2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000156867534 984412962 /nfs/dbraw/zinc/41/29/62/984412962.db2.gz BWNUQYPWOPUNKW-UHFFFAOYSA-N 1 0 370.449 2.837 20 10 FFCDRO COc1ccc(N2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c(OC)c1 ZINC001168395171 984471783 /nfs/dbraw/zinc/47/17/83/984471783.db2.gz OMMWDULTHKQWTP-UHFFFAOYSA-N 1 0 359.514 2.700 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)cc1C ZINC000996819703 984730823 /nfs/dbraw/zinc/73/08/23/984730823.db2.gz SRMSOJBVNRZXKG-SQAAOVBZSA-N 1 0 370.493 2.508 20 10 FFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1 ZINC000765252174 985006677 /nfs/dbraw/zinc/00/66/77/985006677.db2.gz IELIFGXWHAAEMA-RDTXWAMCSA-N 1 0 367.497 2.646 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCOCC2)ccc1N1CCCCC1 ZINC000761991641 988037422 /nfs/dbraw/zinc/03/74/22/988037422.db2.gz AIWVDXMSJLKFHU-UHFFFAOYSA-N 1 0 363.458 2.606 20 10 FFCDRO COC(=O)COc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000922238703 988223989 /nfs/dbraw/zinc/22/39/89/988223989.db2.gz XILALFLMBWKMHQ-QGZVFWFLSA-N 1 0 370.449 2.616 20 10 FFCDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCC(=O)N1C1CC1 ZINC000922521301 988668812 /nfs/dbraw/zinc/66/88/12/988668812.db2.gz ZJKSBPNYYWEEIM-KXBFYZLASA-N 1 0 374.872 2.763 20 10 FFCDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922548801 988685325 /nfs/dbraw/zinc/68/53/25/988685325.db2.gz MPDJRVWGOMHTDK-LJQANCHMSA-N 1 0 358.457 2.746 20 10 FFCDRO CCOc1ccc(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000763158919 989130425 /nfs/dbraw/zinc/13/04/25/989130425.db2.gz OQEKCKQNTRBJCW-HXUWFJFHSA-N 1 0 355.482 2.941 20 10 FFCDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCCC1 ZINC000186757049 989185953 /nfs/dbraw/zinc/18/59/53/989185953.db2.gz CEEPTJPXMZQJQQ-MRXNPFEDSA-N 1 0 356.422 2.673 20 10 FFCDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(O)c3O)cc2)C[C@H](C)O1 ZINC000186913553 989377412 /nfs/dbraw/zinc/37/74/12/989377412.db2.gz TXCNMZDXMKEZAJ-GASCZTMLSA-N 1 0 370.449 2.637 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1C(C)C ZINC000917434905 990219165 /nfs/dbraw/zinc/21/91/65/990219165.db2.gz UDCYJCRQPMQUCB-UHFFFAOYSA-N 1 0 368.481 2.640 20 10 FFCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCOCC2 ZINC000923036259 990807763 /nfs/dbraw/zinc/80/77/63/990807763.db2.gz SUTYLQMQLMRVRT-ZWKOTPCHSA-N 1 0 363.454 2.963 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CC3([NH+](C)C)CCC3)CC2)cc1 ZINC000187130747 990998192 /nfs/dbraw/zinc/99/81/92/990998192.db2.gz PFSRBLLOMNEWFF-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000763456060 991167202 /nfs/dbraw/zinc/16/72/02/991167202.db2.gz VXMHWFJEWBBVDC-WOJBJXKFSA-N 1 0 373.541 2.991 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@H](C[NH3+])C2)CCCC1 ZINC000652558486 1015629768 /nfs/dbraw/zinc/62/97/68/1015629768.db2.gz ZGZHROPYXVHLLZ-HNNXBMFYSA-N 1 0 355.482 2.726 20 10 FFCDRO CC[N@@H+]1CCN(Cc2cccc(I)c2O)C[C@H]1C ZINC001237789908 992721579 /nfs/dbraw/zinc/72/15/79/992721579.db2.gz WIPNKWMDZORRQC-LLVKDONJSA-N 1 0 360.239 2.523 20 10 FFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000747533207 994305186 /nfs/dbraw/zinc/30/51/86/994305186.db2.gz QBEDMQUORLRVQS-UHFFFAOYSA-N 1 0 358.438 2.843 20 10 FFCDRO Cc1cc(C(=O)NCCC[N@@H+](C)CCN(C)C)c(C)n1-c1ccc(F)cc1 ZINC000809190395 994443012 /nfs/dbraw/zinc/44/30/12/994443012.db2.gz FQDRTMLBWQDQHM-UHFFFAOYSA-N 1 0 374.504 2.847 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cc1OC ZINC000809720844 994594152 /nfs/dbraw/zinc/59/41/52/994594152.db2.gz OECDWFRWTXTFRW-OAHLLOKOSA-N 1 0 366.458 2.899 20 10 FFCDRO CN(C)c1ccc([C@@H](CN[C@@H](c2cccs2)c2nc[nH]n2)[NH+](C)C)cc1 ZINC000903449637 1015897233 /nfs/dbraw/zinc/89/72/33/1015897233.db2.gz YXVPYHSWUMQMCA-AEFFLSMTSA-N 1 0 370.526 2.914 20 10 FFCDRO CN(C)c1ccc([C@H](CN[C@H](c2cccs2)c2nc[nH]n2)[NH+](C)C)cc1 ZINC000903449638 1015898429 /nfs/dbraw/zinc/89/84/29/1015898429.db2.gz YXVPYHSWUMQMCA-FUHWJXTLSA-N 1 0 370.526 2.914 20 10 FFCDRO COc1ccc(F)cc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000812756962 995528504 /nfs/dbraw/zinc/52/85/04/995528504.db2.gz HSEJVKWYGVCEJS-INIZCTEOSA-N 1 0 371.456 2.826 20 10 FFCDRO OC[C@@]1(F)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000824636834 997022558 /nfs/dbraw/zinc/02/25/58/997022558.db2.gz UGOHQUYOQVYKMC-VXKWHMMOSA-N 1 0 370.468 2.823 20 10 FFCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824681726 997050021 /nfs/dbraw/zinc/05/00/21/997050021.db2.gz OLCXQIYDRJLXKO-MSOLQXFVSA-N 1 0 374.529 2.647 20 10 FFCDRO CC(C)(C)c1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000824892883 997127139 /nfs/dbraw/zinc/12/71/39/997127139.db2.gz DSDXMWWZZLKMCB-GASCZTMLSA-N 1 0 358.482 2.692 20 10 FFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000730788729 997481913 /nfs/dbraw/zinc/48/19/13/997481913.db2.gz XYDZXRJHDVDJHW-GOSISDBHSA-N 1 0 355.482 2.853 20 10 FFCDRO CN(c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1)C1CCCCC1 ZINC000844177578 997696972 /nfs/dbraw/zinc/69/69/72/997696972.db2.gz LCVJPNRLGUNXKD-HXUWFJFHSA-N 1 0 359.514 2.840 20 10 FFCDRO Oc1ccc(Br)cc1CNc1c[nH+]ccc1N1CCOCC1 ZINC001171177618 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363.502 2.815 20 10 FFCDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000733330809 998964066 /nfs/dbraw/zinc/96/40/66/998964066.db2.gz OMKUZVFGZQSVSG-DNVCBOLYSA-N 1 0 374.506 2.928 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncnc2)cc1C ZINC001085179378 999080240 /nfs/dbraw/zinc/08/02/40/999080240.db2.gz AGNSYGSDEVGIOZ-QZTJIDSGSA-N 1 0 354.454 2.624 20 10 FFCDRO Oc1cc2c(cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)OCO2 ZINC000734843036 999347415 /nfs/dbraw/zinc/34/74/15/999347415.db2.gz CLZWHGJVZVSKHU-SUMWQHHRSA-N 1 0 369.339 2.745 20 10 FFCDRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc4c(c3)CCO4)c2cc1C ZINC000735925995 999516576 /nfs/dbraw/zinc/51/65/76/999516576.db2.gz CJDZUDMOEKLTRQ-GOSISDBHSA-N 1 0 351.450 2.739 20 10 FFCDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000736726451 999566146 /nfs/dbraw/zinc/56/61/46/999566146.db2.gz JKDHTGXKDSFGLI-UHFFFAOYSA-N 1 0 374.466 2.922 20 10 FFCDRO CC(C)[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000766240019 999652328 /nfs/dbraw/zinc/65/23/28/999652328.db2.gz SUISJYKPCWULCX-FQEVSTJZSA-N 1 0 359.514 2.600 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(O)c1 ZINC000740005847 999657046 /nfs/dbraw/zinc/65/70/46/999657046.db2.gz HTRBGZRKMHIRGK-PZJWPPBQSA-N 1 0 370.493 2.764 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)C[C@H]3C)cc2F)CC1 ZINC000741087498 999706727 /nfs/dbraw/zinc/70/67/27/999706727.db2.gz YLGXYXYGGSNPEA-JKSUJKDBSA-N 1 0 362.493 2.908 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086111931 999769762 /nfs/dbraw/zinc/76/97/62/999769762.db2.gz JKEOGZRALOXOQU-XSYGEPLQSA-N 1 0 360.498 2.803 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C ZINC000742372409 999772666 /nfs/dbraw/zinc/77/26/66/999772666.db2.gz ZVGXFOBHDPLUEW-TZIWHRDSSA-N 1 0 354.494 2.982 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C ZINC000742372406 999772677 /nfs/dbraw/zinc/77/26/77/999772677.db2.gz ZVGXFOBHDPLUEW-CTNGQTDRSA-N 1 0 354.494 2.982 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]4CCC[C@H]43)CC2)cc1 ZINC000743852863 999834031 /nfs/dbraw/zinc/83/40/31/999834031.db2.gz VIJIOJQIMVXKCE-YLJYHZDGSA-N 1 0 357.498 2.608 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000745779156 999930663 /nfs/dbraw/zinc/93/06/63/999930663.db2.gz MYXGMMPGFRQMTG-UWVAXJGDSA-N 1 0 374.529 2.708 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846149005 1000209441 /nfs/dbraw/zinc/20/94/41/1000209441.db2.gz VMIKOCLGDIMFRW-UGSOOPFHSA-N 1 0 367.449 2.890 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000846158153 1000211731 /nfs/dbraw/zinc/21/17/31/1000211731.db2.gz TZYCHCBKLWZCKC-KBPBESRZSA-N 1 0 353.422 2.850 20 10 FFCDRO C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000846143610 1000218601 /nfs/dbraw/zinc/21/86/01/1000218601.db2.gz CZGGZPDDTDRASU-UHFFFAOYSA-N 1 0 350.466 2.782 20 10 FFCDRO CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000768533416 1000288213 /nfs/dbraw/zinc/28/82/13/1000288213.db2.gz OJNDTIBDAURUGB-RTWAWAEBSA-N 1 0 371.525 2.792 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000768539503 1000290198 /nfs/dbraw/zinc/29/01/98/1000290198.db2.gz MKYLOFGFQFEEDH-AJKQWTFCSA-N 1 0 359.426 2.702 20 10 FFCDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3cc(Cl)ccc3O)cc2)CC1 ZINC000846476859 1000323846 /nfs/dbraw/zinc/32/38/46/1000323846.db2.gz RCASQIANHGSTOU-UHFFFAOYSA-N 1 0 373.884 2.723 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846677406 1000406290 /nfs/dbraw/zinc/40/62/90/1000406290.db2.gz PDTCCAASOQZOPV-UYAOXDASSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000846708848 1000419389 /nfs/dbraw/zinc/41/93/89/1000419389.db2.gz WJJZQCDVPFEYKA-CZUORRHYSA-N 1 0 369.465 2.817 20 10 FFCDRO COc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)o1 ZINC000846939982 1000484314 /nfs/dbraw/zinc/48/43/14/1000484314.db2.gz WPYHKPJQOFHVEE-UHFFFAOYSA-N 1 0 369.465 2.750 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000769320699 1000492813 /nfs/dbraw/zinc/49/28/13/1000492813.db2.gz UOCRSFMLINBFRP-VQIMIIECSA-N 1 0 359.514 2.513 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cccc(I)c2[O-])CCC[C@@H]1C[NH3+] ZINC001206028307 1000501696 /nfs/dbraw/zinc/50/16/96/1000501696.db2.gz YBFHTXPVXJIAAD-VXGBXAGGSA-N 1 0 374.266 2.804 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)ncn4C)c2)CC1 ZINC000770148973 1000693140 /nfs/dbraw/zinc/69/31/40/1000693140.db2.gz UJQPBEREJSCLHO-UHFFFAOYSA-N 1 0 363.465 2.968 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C)C3(CCC3)C1)cc2=O ZINC000771461603 1001109114 /nfs/dbraw/zinc/10/91/14/1001109114.db2.gz GVXODFXJAZIAOZ-ZDUSSCGKSA-N 1 0 358.442 2.624 20 10 FFCDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1nnc2n1CCCCC2 ZINC000771822069 1001220000 /nfs/dbraw/zinc/22/00/00/1001220000.db2.gz DAJIFBKFTQSNSL-QGZVFWFLSA-N 1 0 368.529 2.607 20 10 FFCDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772358030 1001361851 /nfs/dbraw/zinc/36/18/51/1001361851.db2.gz WTXSGLZGQUMYOB-RDJZCZTQSA-N 1 0 363.477 2.541 20 10 FFCDRO CCO[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087016791 1001370972 /nfs/dbraw/zinc/37/09/72/1001370972.db2.gz WTECSRFFWTXEFC-NVXWUHKLSA-N 1 0 370.440 2.612 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001232978521 1036211596 /nfs/dbraw/zinc/21/15/96/1036211596.db2.gz IZIGAWYPDSKWQL-CQSZACIVSA-N 1 0 372.250 2.667 20 10 FFCDRO COc1ccccc1[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCC1 ZINC000789944265 1002236339 /nfs/dbraw/zinc/23/63/39/1002236339.db2.gz OYHNPCNZEDKHJC-OAHLLOKOSA-N 1 0 374.412 2.812 20 10 FFCDRO O=C1[C@@H]([N@H+](Cc2ccccc2O)C2CCCC2)CCN1C1CCOCC1 ZINC000790287536 1002319248 /nfs/dbraw/zinc/31/92/48/1002319248.db2.gz JMULIMDBGUFFJC-IBGZPJMESA-N 1 0 358.482 2.917 20 10 FFCDRO CC(C)=CCNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000790442958 1002380242 /nfs/dbraw/zinc/38/02/42/1002380242.db2.gz QISWWPGQKPMKKQ-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@]2(C)C1 ZINC001092311291 1002654696 /nfs/dbraw/zinc/65/46/96/1002654696.db2.gz MOUCTAIQUXDLCS-BEFAXECRSA-N 1 0 357.458 2.899 20 10 FFCDRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000791567164 1002743357 /nfs/dbraw/zinc/74/33/57/1002743357.db2.gz HEQLAOFUCZJMHC-QKPAOTATSA-N 1 0 363.477 2.538 20 10 FFCDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H]1COc2ccccc2O1 ZINC000774823286 1002812520 /nfs/dbraw/zinc/81/25/20/1002812520.db2.gz SEENYOHNXXAQIZ-CQSZACIVSA-N 1 0 374.393 2.971 20 10 FFCDRO COCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792463843 1003008722 /nfs/dbraw/zinc/00/87/22/1003008722.db2.gz FDFVYIOCTBUVFS-FXAWDEMLSA-N 1 0 361.530 2.848 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)cc1F ZINC000774911572 1003015378 /nfs/dbraw/zinc/01/53/78/1003015378.db2.gz FEJGWQMFXAGGLW-UHFFFAOYSA-N 1 0 367.465 2.871 20 10 FFCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792838610 1003190302 /nfs/dbraw/zinc/19/03/02/1003190302.db2.gz FONVZEJGKDKGHP-INIZCTEOSA-N 1 0 374.403 2.517 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000792839583 1003206588 /nfs/dbraw/zinc/20/65/88/1003206588.db2.gz YCNJUQBOJGPAJU-OAHLLOKOSA-N 1 0 371.447 2.926 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000792838085 1003206710 /nfs/dbraw/zinc/20/67/10/1003206710.db2.gz HEIAXWRROHLDDV-SFHVURJKSA-N 1 0 369.465 2.865 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1F ZINC000793344241 1003334473 /nfs/dbraw/zinc/33/44/73/1003334473.db2.gz DEWSEJFYDNHHSP-OXJNMPFZSA-N 1 0 364.461 2.683 20 10 FFCDRO COCC[C@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCOC1 ZINC000775031435 1003344794 /nfs/dbraw/zinc/34/47/94/1003344794.db2.gz BBUQYYHEGZDVLH-IBGZPJMESA-N 1 0 363.458 2.870 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@H]21 ZINC001203647990 1003439683 /nfs/dbraw/zinc/43/96/83/1003439683.db2.gz AYPYTIHAXNKMCJ-SMDDNHRTSA-N 1 0 353.260 2.597 20 10 FFCDRO Cc1cccc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000775678245 1003632320 /nfs/dbraw/zinc/63/23/20/1003632320.db2.gz XULAAQNBFGCCMH-UHFFFAOYSA-N 1 0 363.502 2.685 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC001197096027 1004064869 /nfs/dbraw/zinc/06/48/69/1004064869.db2.gz PELYAINIRNYSLJ-HXUWFJFHSA-N 1 0 356.466 2.868 20 10 FFCDRO [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193247425 1004418028 /nfs/dbraw/zinc/41/80/28/1004418028.db2.gz YPCITKHBBMQDGH-UHFFFAOYSA-N 1 0 364.804 2.981 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775830932 1004527737 /nfs/dbraw/zinc/52/77/37/1004527737.db2.gz NLQKMHDNDRYGDX-RDTXWAMCSA-N 1 0 359.426 2.751 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](c1cccs1)C1CC1)cc2=O ZINC000775618670 1004839858 /nfs/dbraw/zinc/83/98/58/1004839858.db2.gz VJIBYAHYAOKIPG-MRXNPFEDSA-N 1 0 372.450 2.914 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCN1CCCS1(=O)=O)Cc1ccccc1O ZINC000776001968 1004995074 /nfs/dbraw/zinc/99/50/74/1004995074.db2.gz CEXJJQCLJHOCBU-QGZVFWFLSA-N 1 0 374.506 2.991 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000776161449 1005208440 /nfs/dbraw/zinc/20/84/40/1005208440.db2.gz WYTZUWOWQNJDKT-NHCUHLMSSA-N 1 0 373.541 2.755 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000776175076 1005215202 /nfs/dbraw/zinc/21/52/02/1005215202.db2.gz UJBJMIZQRLWSMK-OWOJBTEDSA-N 1 0 374.481 2.864 20 10 FFCDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000776248412 1005317009 /nfs/dbraw/zinc/31/70/09/1005317009.db2.gz ZZLUIBHSDUGIQJ-VQIMIIECSA-N 1 0 362.518 2.566 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOCC(C)C)cc2F)CC1 ZINC000106702329 1005356630 /nfs/dbraw/zinc/35/66/30/1005356630.db2.gz SPJYHTZKXWLWFS-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO COc1ncc(/C=C/C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC000776311629 1005358859 /nfs/dbraw/zinc/35/88/59/1005358859.db2.gz STVIDQONRMULNP-KBOKABMXSA-N 1 0 350.422 2.510 20 10 FFCDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000850384959 1005812362 /nfs/dbraw/zinc/81/23/62/1005812362.db2.gz VIFPDTKOPXHTNS-TZIWHRDSSA-N 1 0 354.498 2.758 20 10 FFCDRO Cn1cnc2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)ccc21 ZINC000850406109 1005813782 /nfs/dbraw/zinc/81/37/82/1005813782.db2.gz SEEIVLFUPVLWKF-UHFFFAOYSA-N 1 0 350.466 2.824 20 10 FFCDRO COc1cc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000850406708 1005813801 /nfs/dbraw/zinc/81/38/01/1005813801.db2.gz QOSWUSKHMCGHKB-UHFFFAOYSA-N 1 0 355.482 2.958 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000851672514 1005905330 /nfs/dbraw/zinc/90/53/30/1005905330.db2.gz AMXDWQIPDAMUPQ-LSBZLQRGSA-N 1 0 369.465 2.907 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000851996858 1005931045 /nfs/dbraw/zinc/93/10/45/1005931045.db2.gz AKSZXWDCIQYPSJ-KRWDZBQOSA-N 1 0 374.529 2.836 20 10 FFCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852137979 1005944436 /nfs/dbraw/zinc/94/44/36/1005944436.db2.gz CKRSAXQIEJEUHO-SFHVURJKSA-N 1 0 356.514 2.982 20 10 FFCDRO CC[C@@H](C)CONC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000813633334 1006006926 /nfs/dbraw/zinc/00/69/26/1006006926.db2.gz XTJODTPFSAIJML-OAHLLOKOSA-N 1 0 366.481 2.745 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000852413082 1006014180 /nfs/dbraw/zinc/01/41/80/1006014180.db2.gz OEFUDWIARCYJMW-SFHVURJKSA-N 1 0 374.529 2.836 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454119 1006035664 /nfs/dbraw/zinc/03/56/64/1006035664.db2.gz NXYTWKWODZKCMR-QZTJIDSGSA-N 1 0 374.529 2.647 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000852702871 1006149526 /nfs/dbraw/zinc/14/95/26/1006149526.db2.gz KGIQCVMQCFNODJ-FQEVSTJZSA-N 1 0 352.482 2.826 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CCC(C(C)(C)O)CC3)cc2)CC1 ZINC000881854576 1006244145 /nfs/dbraw/zinc/24/41/45/1006244145.db2.gz HEYAMBYQWSHPQK-UHFFFAOYSA-N 1 0 373.541 2.632 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc4cccnc4c3)cc2)CC1 ZINC000881854951 1006244423 /nfs/dbraw/zinc/24/44/23/1006244423.db2.gz MOJXHKBNHCCYHY-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO O=C(Nc1ccc2c(c1)OCO2)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001187889666 1006310673 /nfs/dbraw/zinc/31/06/73/1006310673.db2.gz KYVVHVGJGNRGIU-UHFFFAOYSA-N 1 0 369.421 2.907 20 10 FFCDRO Cc1cccc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn21 ZINC001134681679 1006444592 /nfs/dbraw/zinc/44/45/92/1006444592.db2.gz COGQKXJAHNMOPG-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(cn2)OCCC3)[NH+](C)C)cc1 ZINC001134881747 1006516491 /nfs/dbraw/zinc/51/64/91/1006516491.db2.gz GIHHRWROPXEUSA-LJQANCHMSA-N 1 0 368.481 2.505 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1OC ZINC000882820902 1006518985 /nfs/dbraw/zinc/51/89/85/1006518985.db2.gz DTVVACYLHWUHAF-CYBMUJFWSA-N 1 0 358.398 2.722 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2c(F)cccc2F)[NH+](C)C)cc1 ZINC001134883261 1006527091 /nfs/dbraw/zinc/52/70/91/1006527091.db2.gz ZZSZBOGBTVJNTP-LJQANCHMSA-N 1 0 361.436 2.992 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)ccc1OC ZINC000815167272 1006540817 /nfs/dbraw/zinc/54/08/17/1006540817.db2.gz XHSGLJJGBDMQHR-RLLQIKCJSA-N 1 0 359.470 2.937 20 10 FFCDRO Nc1cnccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000882899578 1006552855 /nfs/dbraw/zinc/55/28/55/1006552855.db2.gz QRNAIDSVUGLMMN-UHFFFAOYSA-N 1 0 366.387 2.809 20 10 FFCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccncc1 ZINC000883450486 1006797965 /nfs/dbraw/zinc/79/79/65/1006797965.db2.gz NUJHXYIAMYREBQ-FQEVSTJZSA-N 1 0 367.497 2.784 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775254397 1007101563 /nfs/dbraw/zinc/10/15/63/1007101563.db2.gz IHGRLSZBCZICCI-HNNXBMFYSA-N 1 0 357.429 2.952 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc3ccccc3c2O)ccc1OCC(N)=O ZINC000816541429 1007103258 /nfs/dbraw/zinc/10/32/58/1007103258.db2.gz MPBQUKPJEVQTKM-UHFFFAOYSA-N 1 0 366.417 2.708 20 10 FFCDRO Oc1c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816539585 1007103638 /nfs/dbraw/zinc/10/36/38/1007103638.db2.gz LVTISAYUULBWHR-MRXNPFEDSA-N 1 0 367.401 2.804 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)c3sccc3C[NH+](C)C)C2)cc1 ZINC000855233960 1007201800 /nfs/dbraw/zinc/20/18/00/1007201800.db2.gz PXCDCYBHISDXQY-HNNXBMFYSA-N 1 0 359.495 2.827 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368813 1007510799 /nfs/dbraw/zinc/51/07/99/1007510799.db2.gz GMNUMKIYYMREJC-RYUDHWBXSA-N 1 0 358.394 2.807 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000855734998 1007531603 /nfs/dbraw/zinc/53/16/03/1007531603.db2.gz KGKPAKSAFCRGTC-IBHIWXBSSA-N 1 0 366.461 2.886 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855735001 1007532622 /nfs/dbraw/zinc/53/26/22/1007532622.db2.gz KGKPAKSAFCRGTC-RQMBKDMJSA-N 1 0 366.461 2.886 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2OC)c1 ZINC000775369370 1007537388 /nfs/dbraw/zinc/53/73/88/1007537388.db2.gz AECSZQWCSAKJDG-GOEBONIOSA-N 1 0 361.438 2.638 20 10 FFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000817575210 1007655020 /nfs/dbraw/zinc/65/50/20/1007655020.db2.gz GGGUSLRZGMFCHP-FUHWJXTLSA-N 1 0 359.514 2.826 20 10 FFCDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938570 1007816496 /nfs/dbraw/zinc/81/64/96/1007816496.db2.gz NJFXKAQPJDRUOX-OXQOHEQNSA-N 1 0 354.498 2.784 20 10 FFCDRO CC(=O)N1CC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2ccccc2C1 ZINC000817942800 1007820523 /nfs/dbraw/zinc/82/05/23/1007820523.db2.gz RANRCGWWKVFFPH-VXKWHMMOSA-N 1 0 366.509 2.836 20 10 FFCDRO COc1cc(NC(=O)C[NH2+]Cc2ccc(Cl)cc2O)cc(OC)c1 ZINC001206371406 1032257735 /nfs/dbraw/zinc/25/77/35/1032257735.db2.gz POLHJEDZAFFTNH-UHFFFAOYSA-N 1 0 350.802 2.791 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@]3(CC=CCC3)C1)cc2=O ZINC000114494967 1007934427 /nfs/dbraw/zinc/93/44/27/1007934427.db2.gz REJYLWBDPXPVOH-FQEVSTJZSA-N 1 0 370.453 2.934 20 10 FFCDRO C[C@H]1CCC[C@](CN2C(=O)CN(Cc3ccccc3O)C2=O)([NH+](C)C)C1 ZINC000819165312 1008054019 /nfs/dbraw/zinc/05/40/19/1008054019.db2.gz TYUYKKUBCYTKOJ-YWZLYKJASA-N 1 0 359.470 2.667 20 10 FFCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000819358445 1008107676 /nfs/dbraw/zinc/10/76/76/1008107676.db2.gz HSGNRBQPYPGBIL-GOSISDBHSA-N 1 0 366.383 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000819582883 1008183043 /nfs/dbraw/zinc/18/30/43/1008183043.db2.gz RAGAOOGLHKFNAK-QZTJIDSGSA-N 1 0 359.514 2.902 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000819589527 1008185755 /nfs/dbraw/zinc/18/57/55/1008185755.db2.gz SBBQJMXWIFITFE-MRXNPFEDSA-N 1 0 357.498 2.512 20 10 FFCDRO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858092465 1008299659 /nfs/dbraw/zinc/29/96/59/1008299659.db2.gz DVPRTRAUCGQMHE-GOSISDBHSA-N 1 0 366.408 2.871 20 10 FFCDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858141137 1008309355 /nfs/dbraw/zinc/30/93/55/1008309355.db2.gz LHVPKECFZLULQK-IBGZPJMESA-N 1 0 366.408 2.871 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc2ccccc2c1O ZINC000858488921 1008368036 /nfs/dbraw/zinc/36/80/36/1008368036.db2.gz NVMDHMRWJMLWCZ-GDBMZVCRSA-N 1 0 374.448 2.913 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000821272013 1008428077 /nfs/dbraw/zinc/42/80/77/1008428077.db2.gz ULKMJNDUKUBPSU-IBGZPJMESA-N 1 0 352.482 2.596 20 10 FFCDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324920 1008636825 /nfs/dbraw/zinc/63/68/25/1008636825.db2.gz LWLLADHTXIXGCQ-UYAOXDASSA-N 1 0 359.514 2.682 20 10 FFCDRO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324999 1008637655 /nfs/dbraw/zinc/63/76/55/1008637655.db2.gz PMZLSCDQJSQJPA-XLIONFOSSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)cc1Cn1cccn1 ZINC000886329081 1008639414 /nfs/dbraw/zinc/63/94/14/1008639414.db2.gz YAKPGFOSYRQHCG-NBHGPNQESA-N 1 0 371.481 2.756 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)CC1 ZINC000886326000 1008639499 /nfs/dbraw/zinc/63/94/99/1008639499.db2.gz YYQBLCNEUQXXLI-UHFFFAOYSA-N 1 0 365.477 2.613 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]2CCCO[C@@H]21 ZINC000886749551 1008858967 /nfs/dbraw/zinc/85/89/67/1008858967.db2.gz WMECLVWIONMEOC-AQNXPRMDSA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000823236008 1008958258 /nfs/dbraw/zinc/95/82/58/1008958258.db2.gz XTSDUJZSXHSCCV-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001178667577 1009074254 /nfs/dbraw/zinc/07/42/54/1009074254.db2.gz PJZDIJPDCKXFIT-UHFFFAOYSA-N 1 0 350.418 2.788 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000823637798 1009152167 /nfs/dbraw/zinc/15/21/67/1009152167.db2.gz PQWXJSUAJRSFQC-IBGZPJMESA-N 1 0 365.445 2.781 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](c4nccn4C)C3)CC2)cc1 ZINC001178931982 1009179091 /nfs/dbraw/zinc/17/90/91/1009179091.db2.gz URFSPKXTROYJMO-FXAWDEMLSA-N 1 0 370.497 2.907 20 10 FFCDRO C[C@@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC000861621068 1009488689 /nfs/dbraw/zinc/48/86/89/1009488689.db2.gz WIJGTLOGDHFNKB-OXQOHEQNSA-N 1 0 374.529 2.614 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1cccc(C)c1 ZINC000118722899 1009698974 /nfs/dbraw/zinc/69/89/74/1009698974.db2.gz LQCHKUAOTKKGNX-UHFFFAOYSA-N 1 0 369.509 2.979 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000862241792 1009762131 /nfs/dbraw/zinc/76/21/31/1009762131.db2.gz ZKKABCRUXNTRHP-QGZVFWFLSA-N 1 0 366.500 2.633 20 10 FFCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCC1(F)F ZINC000889662293 1010046177 /nfs/dbraw/zinc/04/61/77/1010046177.db2.gz BUDDPANBQJJPBM-HNNXBMFYSA-N 1 0 366.456 2.625 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889772878 1010105521 /nfs/dbraw/zinc/10/55/21/1010105521.db2.gz CMVOWIPCUZNKNO-IAGOWNOFSA-N 1 0 373.522 2.827 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)cc1C ZINC001093657367 1010425060 /nfs/dbraw/zinc/42/50/60/1010425060.db2.gz JDULVLVYQBGRLA-RHSMWYFYSA-N 1 0 356.470 2.533 20 10 FFCDRO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000794607871 1010440655 /nfs/dbraw/zinc/44/06/55/1010440655.db2.gz WHIGADRYMYFMDH-VXKWHMMOSA-N 1 0 369.509 2.717 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]2C)cc1C ZINC001093675995 1010460173 /nfs/dbraw/zinc/46/01/73/1010460173.db2.gz RHYKETSIFDHJBW-RHSMWYFYSA-N 1 0 356.470 2.533 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(Cl)c1 ZINC000865773589 1010859495 /nfs/dbraw/zinc/85/94/95/1010859495.db2.gz DRRUAYMRAXBZKS-UHFFFAOYSA-N 1 0 373.840 2.696 20 10 FFCDRO CCn1cnc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)[C@H](C)C2)c1 ZINC001094170077 1010911587 /nfs/dbraw/zinc/91/15/87/1010911587.db2.gz MNHNHRJJFWSHIR-SJLPKXTDSA-N 1 0 370.497 2.718 20 10 FFCDRO Cc1cccc(C[C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000866266025 1010965745 /nfs/dbraw/zinc/96/57/45/1010965745.db2.gz CHSLJEYXEOBEKN-SFHVURJKSA-N 1 0 372.534 2.951 20 10 FFCDRO CCOc1ccc(N2CCN(C3CC[NH+](CCCOC)CC3)CC2)cc1 ZINC001172254009 1011726925 /nfs/dbraw/zinc/72/69/25/1011726925.db2.gz GSINPOJSLDUZNT-UHFFFAOYSA-N 1 0 361.530 2.708 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275027549 1011825898 /nfs/dbraw/zinc/82/58/98/1011825898.db2.gz VFSLWMHSDYCUMM-HRAATJIYSA-N 1 0 357.498 2.881 20 10 FFCDRO CCCC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001275105660 1011942527 /nfs/dbraw/zinc/94/25/27/1011942527.db2.gz GCAVCCPLWNODTN-NRFANRHFSA-N 1 0 357.498 2.894 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)c(O)c1 ZINC001275241626 1012128975 /nfs/dbraw/zinc/12/89/75/1012128975.db2.gz GSLZOHSMCLFFQG-KRWDZBQOSA-N 1 0 372.387 2.778 20 10 FFCDRO CN1CC[C@@]2(CCC[N@H+](Cc3cc(Br)ccc3O)CC2)C1=O ZINC001275248866 1012140128 /nfs/dbraw/zinc/14/01/28/1012140128.db2.gz UAHOXVCLSXBVKQ-QGZVFWFLSA-N 1 0 367.287 2.989 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)c1O ZINC001275280358 1012201542 /nfs/dbraw/zinc/20/15/42/1012201542.db2.gz YHIFISORNCUZRN-KRWDZBQOSA-N 1 0 372.387 2.926 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C4CCCC4)C3)C2)c(O)c1 ZINC001275388145 1012411197 /nfs/dbraw/zinc/41/11/97/1012411197.db2.gz NWLOMWVQFUYMDP-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO CCCCC[C@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000828258196 1032638701 /nfs/dbraw/zinc/63/87/01/1032638701.db2.gz AELRTUSZQWTPHI-NRFANRHFSA-N 1 0 373.541 2.776 20 10 FFCDRO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001275671499 1012817001 /nfs/dbraw/zinc/81/70/01/1012817001.db2.gz HLKAYSJQTIGBQF-GOSISDBHSA-N 1 0 354.397 2.568 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001275771756 1012989191 /nfs/dbraw/zinc/98/91/91/1012989191.db2.gz RZESQEXIPJCSPV-NRFANRHFSA-N 1 0 358.482 2.779 20 10 FFCDRO C[NH+](C)C1(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888584176 1013024418 /nfs/dbraw/zinc/02/44/18/1013024418.db2.gz YRSJWLKOGVRBLW-UHFFFAOYSA-N 1 0 350.426 2.612 20 10 FFCDRO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001051813889 1017306067 /nfs/dbraw/zinc/30/60/67/1017306067.db2.gz WUNRFNGVHAHGSG-GUDVDZBRSA-N 1 0 360.498 2.757 20 10 FFCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924908152 1017542979 /nfs/dbraw/zinc/54/29/79/1017542979.db2.gz UKENPBUYLAVJCB-UKRRQHHQSA-N 1 0 367.440 2.904 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927646008 1018598126 /nfs/dbraw/zinc/59/81/26/1018598126.db2.gz QXRIVTOSAAMQIA-HXUWFJFHSA-N 1 0 374.529 2.537 20 10 FFCDRO CN(C)c1ccc([C@H](CN2C(=O)[C@@H]3CCCCCN3C2=O)[NH+](C)C)cc1 ZINC000900184746 1020248599 /nfs/dbraw/zinc/24/85/99/1020248599.db2.gz GBGMDKBPXQCAAW-ROUUACIJSA-N 1 0 358.486 2.562 20 10 FFCDRO Cc1nc(CC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)no1 ZINC000932237172 1020752999 /nfs/dbraw/zinc/75/29/99/1020752999.db2.gz ALYBMPNPGCKJQF-UHFFFAOYSA-N 1 0 356.470 2.669 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)COC3CC[NH+](C)CC3)cc2)CC1 ZINC000932296976 1020768638 /nfs/dbraw/zinc/76/86/38/1020768638.db2.gz DUFBHLCANQKJRH-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO Cn1nnnc1CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000903348470 1020798726 /nfs/dbraw/zinc/79/87/26/1020798726.db2.gz DGQUGYXBVYMVEY-SFHVURJKSA-N 1 0 351.454 2.812 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001116589227 1021298462 /nfs/dbraw/zinc/29/84/62/1021298462.db2.gz RRYZILHWHTXMRW-LUYZLQTOSA-N 1 0 354.454 2.766 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c(Br)c1 ZINC001222434391 1032971535 /nfs/dbraw/zinc/97/15/35/1032971535.db2.gz ILBZLWVSMKZZOK-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001117809300 1021910653 /nfs/dbraw/zinc/91/06/53/1021910653.db2.gz GCDZVTDYPSEVFN-FQEVSTJZSA-N 1 0 355.482 2.671 20 10 FFCDRO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000157998356 1022470096 /nfs/dbraw/zinc/47/00/96/1022470096.db2.gz GVVWJAJYAMOAPS-GOSISDBHSA-N 1 0 367.493 2.867 20 10 FFCDRO COCCOc1ccccc1N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779025146 1022666441 /nfs/dbraw/zinc/66/64/41/1022666441.db2.gz LMNWZLAACUWAEZ-UHFFFAOYSA-N 1 0 360.429 2.879 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000159587242 1022728719 /nfs/dbraw/zinc/72/87/19/1022728719.db2.gz RDSXQBFDXZKBML-UHFFFAOYSA-N 1 0 356.466 2.770 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCc1ccc(OCC(F)(F)F)nc1)OCO2 ZINC000187570422 1022878556 /nfs/dbraw/zinc/87/85/56/1022878556.db2.gz WAJWHGZICVGELJ-UHFFFAOYSA-N 1 0 370.327 2.789 20 10 FFCDRO O=C(c1cccc2c1CCN2)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001122330330 1023194176 /nfs/dbraw/zinc/19/41/76/1023194176.db2.gz GZOQDJNEAOULBN-JKSUJKDBSA-N 1 0 363.461 2.777 20 10 FFCDRO O=C(c1cccc2c1CCN2)N1C[C@@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001122330327 1023194638 /nfs/dbraw/zinc/19/46/38/1023194638.db2.gz GZOQDJNEAOULBN-HZPDHXFCSA-N 1 0 363.461 2.777 20 10 FFCDRO CC[C@@H](C)c1nnc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000752932199 1023227147 /nfs/dbraw/zinc/22/71/47/1023227147.db2.gz ZNAIFQRSBJLLKT-HZPDHXFCSA-N 1 0 356.518 2.921 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@H](C)C3)cc2F)CC1 ZINC000752953242 1023234004 /nfs/dbraw/zinc/23/40/04/1023234004.db2.gz JSMRIIGNMQDXIR-IYBDPMFKSA-N 1 0 362.493 2.765 20 10 FFCDRO O=C(NC[C@H]1CCCCC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001120579704 1023370269 /nfs/dbraw/zinc/37/02/69/1023370269.db2.gz VPPVVQFTULXNKB-QZTJIDSGSA-N 1 0 361.486 2.615 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N(C)C)cc1 ZINC000753743839 1023374638 /nfs/dbraw/zinc/37/46/38/1023374638.db2.gz KMHZDQJUIJRYPT-OXQOHEQNSA-N 1 0 352.482 2.989 20 10 FFCDRO Cc1ccc(N2CCC[C@@H](Oc3ccc(N4CC[NH2+]CC4)cc3)C2)nc1 ZINC001218390167 1033133716 /nfs/dbraw/zinc/13/37/16/1033133716.db2.gz GKLWRRANJBSTLK-HXUWFJFHSA-N 1 0 352.482 2.847 20 10 FFCDRO Cc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218401412 1033138451 /nfs/dbraw/zinc/13/84/51/1033138451.db2.gz HJNBANRDEITEJH-OLZOCXBDSA-N 1 0 351.402 2.995 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1[O-] ZINC000756508333 1023720496 /nfs/dbraw/zinc/72/04/96/1023720496.db2.gz IMIMZSXYINCENY-MRXNPFEDSA-N 1 0 358.461 2.789 20 10 FFCDRO C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1[O-] ZINC000756532850 1023723652 /nfs/dbraw/zinc/72/36/52/1023723652.db2.gz HEXUSARBWLGCFL-INIZCTEOSA-N 1 0 373.476 2.574 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC=C(C)CC3)cc2F)CC1 ZINC000756695923 1023745843 /nfs/dbraw/zinc/74/58/43/1023745843.db2.gz ZFPCSZPSEQVDIT-UHFFFAOYSA-N 1 0 360.477 2.829 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC(C)(C)C3CC3)CC2)cc1 ZINC000757111174 1023798903 /nfs/dbraw/zinc/79/89/03/1023798903.db2.gz WDBYPODXWCQMIA-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191655837 1023888590 /nfs/dbraw/zinc/88/85/90/1023888590.db2.gz GKIXTRRKUNGDQV-NRFANRHFSA-N 1 0 361.530 2.584 20 10 FFCDRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137835615 1033174192 /nfs/dbraw/zinc/17/41/92/1033174192.db2.gz LFBYHBCSIZPFQE-FOIQADDNSA-N 1 0 372.444 2.581 20 10 FFCDRO CC(C)(C[NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001121911817 1024163228 /nfs/dbraw/zinc/16/32/28/1024163228.db2.gz XZTDXBZJIPXBDI-UHFFFAOYSA-N 1 0 373.419 2.533 20 10 FFCDRO CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000758974433 1024405772 /nfs/dbraw/zinc/40/57/72/1024405772.db2.gz ZNDRRQHTRAURDO-NQIIRXRSSA-N 1 0 368.477 2.914 20 10 FFCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759173027 1024506224 /nfs/dbraw/zinc/50/62/24/1024506224.db2.gz LCNIGJDWPBCOFH-LPHOPBHVSA-N 1 0 363.458 2.869 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(N(C)C)cc1 ZINC000194705467 1024881334 /nfs/dbraw/zinc/88/13/34/1024881334.db2.gz XQKKPBDWLJTERS-UHFFFAOYSA-N 1 0 369.465 2.984 20 10 FFCDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C12CCCC2 ZINC000829629686 1033256096 /nfs/dbraw/zinc/25/60/96/1033256096.db2.gz LGZNZBINRZPUAE-OALUTQOASA-N 1 0 359.514 2.696 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)[C@](O)(C(F)(F)F)CC3)ccc21 ZINC001141140150 1025507085 /nfs/dbraw/zinc/50/70/85/1025507085.db2.gz IVXWDTPXJABNNW-CVEARBPZSA-N 1 0 362.367 2.743 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000245730327 1025507930 /nfs/dbraw/zinc/50/79/30/1025507930.db2.gz FCVWUPULUPKLCA-NRFANRHFSA-N 1 0 364.493 2.923 20 10 FFCDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001141159365 1025543226 /nfs/dbraw/zinc/54/32/26/1025543226.db2.gz BECIJSCDTUJQMJ-LJQANCHMSA-N 1 0 366.461 2.936 20 10 FFCDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)cc1 ZINC001141163203 1025546662 /nfs/dbraw/zinc/54/66/62/1025546662.db2.gz UVJMLTZEJMYYIC-IBGZPJMESA-N 1 0 370.449 2.891 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000246293873 1025950806 /nfs/dbraw/zinc/95/08/06/1025950806.db2.gz NKTBLGFPIMDLDW-AHRSYUTCSA-N 1 0 357.498 2.655 20 10 FFCDRO CC[C@H](C)[NH+]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000838190372 1026250500 /nfs/dbraw/zinc/25/05/00/1026250500.db2.gz DZPBSHVEKLVIJQ-KRWDZBQOSA-N 1 0 374.529 2.790 20 10 FFCDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000838911484 1026535128 /nfs/dbraw/zinc/53/51/28/1026535128.db2.gz BNYLGHJPSREVIF-UHFFFAOYSA-N 1 0 366.477 2.856 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1O ZINC000839146729 1026606067 /nfs/dbraw/zinc/60/60/67/1026606067.db2.gz SNKFCIYFPSTDPJ-UHFFFAOYSA-N 1 0 364.392 2.805 20 10 FFCDRO COC[C@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839579430 1026744259 /nfs/dbraw/zinc/74/42/59/1026744259.db2.gz GGWRQQKPZULZNP-NRFANRHFSA-N 1 0 369.509 2.558 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000839588543 1026747927 /nfs/dbraw/zinc/74/79/27/1026747927.db2.gz DTLIBPPVWKUFKJ-NJYVYQBISA-N 1 0 373.541 2.774 20 10 FFCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1C(=O)c1cscn1 ZINC000840152334 1026986153 /nfs/dbraw/zinc/98/61/53/1026986153.db2.gz GBYADNZXWPVNQS-ZDUSSCGKSA-N 1 0 368.462 2.743 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000840490339 1027092191 /nfs/dbraw/zinc/09/21/91/1027092191.db2.gz ZRZRRWXIFYRLQD-QGZVFWFLSA-N 1 0 358.530 2.729 20 10 FFCDRO CNC(=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000795603360 1027219801 /nfs/dbraw/zinc/21/98/01/1027219801.db2.gz GJXKRAKGJSTWLA-IBGZPJMESA-N 1 0 371.456 2.629 20 10 FFCDRO CCOc1cccc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000092665202 1027395161 /nfs/dbraw/zinc/39/51/61/1027395161.db2.gz AVTDYCBWXMIEOZ-ROUUACIJSA-N 1 0 361.530 2.781 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C)cc1C ZINC001104166298 1028627572 /nfs/dbraw/zinc/62/75/72/1028627572.db2.gz DVAIJNLIHIXNCD-NVXWUHKLSA-N 1 0 356.470 2.615 20 10 FFCDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001162717105 1028630224 /nfs/dbraw/zinc/63/02/24/1028630224.db2.gz FQIFPCDAHCESLR-CQSZACIVSA-N 1 0 367.446 2.549 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc4nc[nH]c4cc3Cl)cc2)CC1 ZINC001156657268 1029293096 /nfs/dbraw/zinc/29/30/96/1029293096.db2.gz KUFZRIOBXVKNNC-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(OCC4CC4)ncn3)cc2)CC1 ZINC001156657579 1029294339 /nfs/dbraw/zinc/29/43/39/1029294339.db2.gz NZYMFURWCJFJJB-UHFFFAOYSA-N 1 0 353.470 2.629 20 10 FFCDRO Oc1c(CNc2ncnc3c2CC[NH2+]CC3)cc(Cl)c2cccnc12 ZINC001157724940 1029651851 /nfs/dbraw/zinc/65/18/51/1029651851.db2.gz ZACSKKQBSZKNCY-UHFFFAOYSA-N 1 0 355.829 2.684 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cc2)CC1 ZINC000840958315 1029943701 /nfs/dbraw/zinc/94/37/01/1029943701.db2.gz PACCLWCOTRAUCW-YADHBBJMSA-N 1 0 351.494 2.746 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)NCCc3ccc(N)cc3)cc2)CC1 ZINC000841018120 1029980250 /nfs/dbraw/zinc/98/02/50/1029980250.db2.gz PQXZNEKLJDBCSM-UHFFFAOYSA-N 1 0 367.497 2.775 20 10 FFCDRO COc1cc(OC)c(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000841040488 1029995791 /nfs/dbraw/zinc/99/57/91/1029995791.db2.gz NFLZSJRDZSTGRB-SFHVURJKSA-N 1 0 359.470 2.568 20 10 FFCDRO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841043515 1029998599 /nfs/dbraw/zinc/99/85/99/1029998599.db2.gz OXOGZVPRXLNBLK-HXUWFJFHSA-N 1 0 365.481 2.941 20 10 FFCDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841051183 1030005336 /nfs/dbraw/zinc/00/53/36/1030005336.db2.gz UZOZZXSYTBPXKV-ZDUSSCGKSA-N 1 0 367.449 2.546 20 10 FFCDRO C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC000841326144 1030198512 /nfs/dbraw/zinc/19/85/12/1030198512.db2.gz SSAFBHDNXNDCIF-OAHLLOKOSA-N 1 0 354.454 2.865 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000783714818 1030249160 /nfs/dbraw/zinc/24/91/60/1030249160.db2.gz FBLHUGXQLKYHLW-UHFFFAOYSA-N 1 0 363.458 2.558 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1ccnc1CC[NH3+])N=[N+]=[N-] ZINC001166277276 1030336533 /nfs/dbraw/zinc/33/65/33/1030336533.db2.gz QDTCXKVTWAVOJM-UVTDQMKNSA-N 1 0 355.402 2.600 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@@H](C)O1 ZINC000783970294 1030371051 /nfs/dbraw/zinc/37/10/51/1030371051.db2.gz ZPQITYZWFLOPBO-UKRRQHHQSA-N 1 0 359.422 2.568 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000841778983 1030461076 /nfs/dbraw/zinc/46/10/76/1030461076.db2.gz JRHCGDFHNIJHMG-KXBFYZLASA-N 1 0 360.502 2.575 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000841848658 1030500325 /nfs/dbraw/zinc/50/03/25/1030500325.db2.gz VARIYYZXHZFMTN-KRWDZBQOSA-N 1 0 370.522 2.920 20 10 FFCDRO C[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880867 1030519517 /nfs/dbraw/zinc/51/95/17/1030519517.db2.gz JJBSIXHLARMFNN-RYGJVYDSSA-N 1 0 352.482 2.950 20 10 FFCDRO C[C@H]1[C@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841906812 1030534381 /nfs/dbraw/zinc/53/43/81/1030534381.db2.gz UZRLQGKEFIHHGK-OXJNMPFZSA-N 1 0 352.482 2.774 20 10 FFCDRO [NH3+][C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000841949908 1030559026 /nfs/dbraw/zinc/55/90/26/1030559026.db2.gz QWPZLGJJGBDLDO-MOPGFXCFSA-N 1 0 369.465 2.783 20 10 FFCDRO O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517252 1030565475 /nfs/dbraw/zinc/56/54/75/1030565475.db2.gz GPLARDVFHWTGJM-OAHLLOKOSA-N 1 0 373.403 2.704 20 10 FFCDRO O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784678538 1030752317 /nfs/dbraw/zinc/75/23/17/1030752317.db2.gz CJCKTDRNDXEBJV-LJQANCHMSA-N 1 0 358.457 2.746 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccc2O)C2COC2)CC1 ZINC001203556193 1030762214 /nfs/dbraw/zinc/76/22/14/1030762214.db2.gz NFNQKEFYRBJJGT-UHFFFAOYSA-N 1 0 362.470 2.993 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1c1ccc2c(c1)OCO2 ZINC001203556661 1030767413 /nfs/dbraw/zinc/76/74/13/1030767413.db2.gz SMVWNCXENOFGKL-OAQYLSRUSA-N 1 0 366.417 2.750 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001203608035 1030784735 /nfs/dbraw/zinc/78/47/35/1030784735.db2.gz GSPIBMPSJNTILL-OAQYLSRUSA-N 1 0 367.449 2.815 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c1O ZINC001203609764 1030786056 /nfs/dbraw/zinc/78/60/56/1030786056.db2.gz JOTMBDRVCJTWDV-UHFFFAOYSA-N 1 0 367.453 2.638 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c1O ZINC001203617877 1030788256 /nfs/dbraw/zinc/78/82/56/1030788256.db2.gz WVCHJRNQZZTHHW-UHFFFAOYSA-N 1 0 355.438 2.580 20 10 FFCDRO COc1ncnc2c1CC[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC001203642332 1030799693 /nfs/dbraw/zinc/79/96/93/1030799693.db2.gz HHOGGFSSAPLJKJ-UHFFFAOYSA-N 1 0 364.243 2.554 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2O)C1 ZINC001203648280 1030803324 /nfs/dbraw/zinc/80/33/24/1030803324.db2.gz HYDPLDRPMHNELO-UONOGXRCSA-N 1 0 356.850 2.506 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001203648662 1030805169 /nfs/dbraw/zinc/80/51/69/1030805169.db2.gz RDVSZVZQHBXVBA-CYBMUJFWSA-N 1 0 368.206 2.737 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001203657895 1030810852 /nfs/dbraw/zinc/81/08/52/1030810852.db2.gz IAHGYOAVLCVKSB-RBUKOAKNSA-N 1 0 373.884 2.916 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)c1 ZINC001203680688 1030823765 /nfs/dbraw/zinc/82/37/65/1030823765.db2.gz BSSHSGKGCFZCAK-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC001203931971 1030989779 /nfs/dbraw/zinc/98/97/79/1030989779.db2.gz ZRFSSGIWXBGXEN-DWLFOUALSA-N 1 0 371.525 2.648 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001203931242 1030990847 /nfs/dbraw/zinc/99/08/47/1030990847.db2.gz DSRLBDFAVYHCNE-FCHUYYIVSA-N 1 0 366.509 2.623 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC001203932940 1030993883 /nfs/dbraw/zinc/99/38/83/1030993883.db2.gz DUQQQFICYYCVKF-QFIPXVFZSA-N 1 0 364.493 2.772 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)c2ccccc21 ZINC001204240281 1031180925 /nfs/dbraw/zinc/18/09/25/1031180925.db2.gz NHVDARRPZDAFKP-UHFFFAOYSA-N 1 0 365.477 2.925 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c(C(F)(F)F)c1 ZINC000843123035 1031191862 /nfs/dbraw/zinc/19/18/62/1031191862.db2.gz XXKQYILUANSNRE-MRXNPFEDSA-N 1 0 367.419 2.651 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c(O)c1 ZINC001204273285 1031199554 /nfs/dbraw/zinc/19/95/54/1031199554.db2.gz MRHXVJFMPPQQJU-UHFFFAOYSA-N 1 0 354.454 2.770 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@H]21 ZINC001143104057 1031237098 /nfs/dbraw/zinc/23/70/98/1031237098.db2.gz BAUFYURUJPKGMX-RTBURBONSA-N 1 0 360.498 2.901 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204345409 1031239737 /nfs/dbraw/zinc/23/97/37/1031239737.db2.gz QZDQNXOGMWPUNA-CYBMUJFWSA-N 1 0 366.458 2.795 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC000843406014 1031383363 /nfs/dbraw/zinc/38/33/63/1031383363.db2.gz DUNVFSYYDYDHSS-QGZVFWFLSA-N 1 0 356.422 2.902 20 10 FFCDRO COC[C@]1(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CCC[NH2+]1 ZINC000843478700 1031420973 /nfs/dbraw/zinc/42/09/73/1031420973.db2.gz WAYVLMYWIJDREF-OAQYLSRUSA-N 1 0 371.481 2.601 20 10 FFCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000798491638 1031434826 /nfs/dbraw/zinc/43/48/26/1031434826.db2.gz DVSHPOJTLMGTEM-SFHVURJKSA-N 1 0 369.513 2.764 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)C1 ZINC000798926236 1031585989 /nfs/dbraw/zinc/58/59/89/1031585989.db2.gz ISHBSDODYFLMTG-UYAOXDASSA-N 1 0 364.493 2.951 20 10 FFCDRO O=C1N[C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000798958014 1031595248 /nfs/dbraw/zinc/59/52/48/1031595248.db2.gz XLMCSBYXDQDWTD-CVEARBPZSA-N 1 0 374.441 2.515 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001149899878 1031616723 /nfs/dbraw/zinc/61/67/23/1031616723.db2.gz JPLMSHLBELTUJI-CQSZACIVSA-N 1 0 373.266 2.937 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205855995 1032034549 /nfs/dbraw/zinc/03/45/49/1032034549.db2.gz RQMZLVBGGMWBHZ-DOTOQJQBSA-N 1 0 364.486 2.674 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205855998 1032035996 /nfs/dbraw/zinc/03/59/96/1032035996.db2.gz RQMZLVBGGMWBHZ-WBVHZDCISA-N 1 0 364.486 2.674 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@]3(N)CC[NH2+]C3)cc2)cc1 ZINC001219204055 1033554470 /nfs/dbraw/zinc/55/44/70/1033554470.db2.gz SKXYRYIHACPYEZ-SHTLVRLNSA-N 1 0 350.466 2.552 20 10 FFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138222029 1033973906 /nfs/dbraw/zinc/97/39/06/1033973906.db2.gz BXCGQDZVRZWPQY-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3c(C)n(C)c4ccccc43)CC2)C1=O ZINC001138255689 1034023869 /nfs/dbraw/zinc/02/38/69/1034023869.db2.gz PNRTUSZYODLRHF-UHFFFAOYSA-N 1 0 369.509 2.948 20 10 FFCDRO CCOC(=O)CCN(CC(=O)OCC)Cc1c(C)n(C)c2ccccc21 ZINC001138256708 1034026902 /nfs/dbraw/zinc/02/69/02/1034026902.db2.gz HNYGTJOGDNKWIB-UHFFFAOYSA-N 1 0 360.454 2.805 20 10 FFCDRO Oc1c(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc2c3c1CCCN3CCC2 ZINC001138337603 1034168257 /nfs/dbraw/zinc/16/82/57/1034168257.db2.gz BPXAZRMBCHFTLN-UHFFFAOYSA-N 1 0 370.415 2.980 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339228 1034171054 /nfs/dbraw/zinc/17/10/54/1034171054.db2.gz BTJTUIDVBRJUQG-ZBFHGGJFSA-N 1 0 358.482 2.865 20 10 FFCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341504 1034172451 /nfs/dbraw/zinc/17/24/51/1034172451.db2.gz QYNTVMLVUXSCHF-SIXWZSSISA-N 1 0 356.466 2.617 20 10 FFCDRO O=C1OCCC12CC[NH+](Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138343155 1034175290 /nfs/dbraw/zinc/17/52/90/1034175290.db2.gz YPAKEDVLXYJJMT-UHFFFAOYSA-N 1 0 356.466 2.620 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])c3ccccc3C)C2)cc1 ZINC000831748549 1034256369 /nfs/dbraw/zinc/25/63/69/1034256369.db2.gz GGEHEMSYSXZCQN-JXFKEZNVSA-N 1 0 353.466 2.646 20 10 FFCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138495746 1034332661 /nfs/dbraw/zinc/33/26/61/1034332661.db2.gz GOTHHQOBOOERGF-RTWAWAEBSA-N 1 0 360.498 2.541 20 10 FFCDRO COc1ccc(CC[NH+]2CCC(NC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC001220743522 1034370137 /nfs/dbraw/zinc/37/01/37/1034370137.db2.gz FZJDAYMBMURSAY-UHFFFAOYSA-N 1 0 367.493 2.643 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000832273728 1034694779 /nfs/dbraw/zinc/69/47/79/1034694779.db2.gz PLKNITOXNSQUFG-UXHICEINSA-N 1 0 353.466 2.573 20 10 FFCDRO CCC(=O)Nc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274550 1034695987 /nfs/dbraw/zinc/69/59/87/1034695987.db2.gz VMEMANURZZMTJF-GOSISDBHSA-N 1 0 354.454 2.531 20 10 FFCDRO CC(C)Oc1ccccc1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279849 1034698049 /nfs/dbraw/zinc/69/80/49/1034698049.db2.gz LOLSNFQQNMBUMI-IBGZPJMESA-N 1 0 355.482 2.899 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCOCc2ccccc2)cc1 ZINC000832281968 1034699175 /nfs/dbraw/zinc/69/91/75/1034699175.db2.gz WMSIBAGRECWGEO-FQEVSTJZSA-N 1 0 355.482 2.866 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000832282495 1034700823 /nfs/dbraw/zinc/70/08/23/1034700823.db2.gz ZZBMMTUGBQHNED-CQSZACIVSA-N 1 0 373.407 2.996 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N[C@H](C3CCC3)C3C[NH2+]C3)cs2)cc1 ZINC001221412198 1034720581 /nfs/dbraw/zinc/72/05/81/1034720581.db2.gz AUFAGAFEJZREEB-GOSISDBHSA-N 1 0 370.522 2.994 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N[C@@H](C3CCC3)C3C[NH2+]C3)cs2)cc1 ZINC001221412199 1034720723 /nfs/dbraw/zinc/72/07/23/1034720723.db2.gz AUFAGAFEJZREEB-SFHVURJKSA-N 1 0 370.522 2.994 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc(N(C)C)cc1 ZINC001226646846 1034770385 /nfs/dbraw/zinc/77/03/85/1034770385.db2.gz IYCQSFCJHAYQGH-QGTPRVQTSA-N 1 0 362.543 2.693 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)ccc1N(C)C ZINC001139670399 1035193265 /nfs/dbraw/zinc/19/32/65/1035193265.db2.gz MFJVYOFAWNPDIY-LEWJYISDSA-N 1 0 364.493 2.831 20 10 FFCDRO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054232 1035323919 /nfs/dbraw/zinc/32/39/19/1035323919.db2.gz MTJMIHBWIKEYRV-GOSISDBHSA-N 1 0 369.440 2.907 20 10 FFCDRO CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054163 1035323964 /nfs/dbraw/zinc/32/39/64/1035323964.db2.gz KGYBNPNYXIUHKA-SFHVURJKSA-N 1 0 364.461 2.675 20 10 FFCDRO COc1ncnc2c1CC[N@H+](Cc1c(O)cccc1Br)CC2 ZINC001140099522 1035341615 /nfs/dbraw/zinc/34/16/15/1035341615.db2.gz JAARFXNMTNKEMF-UHFFFAOYSA-N 1 0 364.243 2.554 20 10 FFCDRO CC(=O)N1CC[C@H]([N@@H+](Cc2c(O)cccc2Br)C(C)C)C1 ZINC001140103288 1035342987 /nfs/dbraw/zinc/34/29/87/1035342987.db2.gz HZVUWGCFKQVRTR-ZDUSSCGKSA-N 1 0 355.276 2.986 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@H]21 ZINC001140102543 1035343050 /nfs/dbraw/zinc/34/30/50/1035343050.db2.gz RIZYYLYUABUESV-SMDDNHRTSA-N 1 0 353.260 2.597 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000834321029 1035362362 /nfs/dbraw/zinc/36/23/62/1035362362.db2.gz GFYYXEAILFOESL-JXFKEZNVSA-N 1 0 355.482 2.899 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CC(NC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001140300783 1035424068 /nfs/dbraw/zinc/42/40/68/1035424068.db2.gz TZYKWFIFOPCREY-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)N1Cc1cccnc1 ZINC001140339819 1035443375 /nfs/dbraw/zinc/44/33/75/1035443375.db2.gz ZGJTVEBMONBXKZ-IAGOWNOFSA-N 1 0 357.841 2.816 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)[C@H](COC)C1=O ZINC001140339604 1035443445 /nfs/dbraw/zinc/44/34/45/1035443445.db2.gz JGVBXKKNOQGYOY-OAHLLOKOSA-N 1 0 366.889 2.753 20 10 FFCDRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140466601 1035485328 /nfs/dbraw/zinc/48/53/28/1035485328.db2.gz HZSLOTRXKWHWLK-JFIYKMOQSA-N 1 0 364.873 2.551 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000835038153 1035491719 /nfs/dbraw/zinc/49/17/19/1035491719.db2.gz UVRCOMDWUXZPID-WAYWQWQTSA-N 1 0 373.522 2.951 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000835042118 1035492622 /nfs/dbraw/zinc/49/26/22/1035492622.db2.gz DFDJQFKUPOKUJH-DDKKJVIOSA-N 1 0 355.457 2.839 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000835054712 1035494202 /nfs/dbraw/zinc/49/42/02/1035494202.db2.gz MHHXTKACCSVZTC-VURMDHGXSA-N 1 0 373.522 2.806 20 10 FFCDRO COc1cccnc1O[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263853 1035536106 /nfs/dbraw/zinc/53/61/06/1035536106.db2.gz DSXVFYOPZSOTCZ-LBPRGKRZSA-N 1 0 350.802 2.808 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)c1ccccn1 ZINC001232263124 1035536434 /nfs/dbraw/zinc/53/64/34/1035536434.db2.gz HPMDGIFXURAWRI-UHFFFAOYSA-N 1 0 361.829 2.541 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277212479 1035570874 /nfs/dbraw/zinc/57/08/74/1035570874.db2.gz CKKXRQMLRCSTAI-IBGZPJMESA-N 1 0 366.889 2.815 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC3(C[C@H]3CCO)CC2)c2ccccc2n1C ZINC001232403072 1035651702 /nfs/dbraw/zinc/65/17/02/1035651702.db2.gz UJEXTMDNPOHLPI-OAHLLOKOSA-N 1 0 356.466 2.949 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c2ccccc2n1C ZINC001232403121 1035652036 /nfs/dbraw/zinc/65/20/36/1035652036.db2.gz OMKCIWRUIJVVAD-UHFFFAOYSA-N 1 0 369.465 2.600 20 10 FFCDRO [O-]c1cc(F)cc(F)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001140581403 1035660456 /nfs/dbraw/zinc/66/04/56/1035660456.db2.gz RHHAROMZRKKCCT-UHFFFAOYSA-N 1 0 362.424 2.521 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(C[NH+]3CC4(COC4)C3)c2)nc1C ZINC001232452679 1035696775 /nfs/dbraw/zinc/69/67/75/1035696775.db2.gz ZATGQEWPLBGCJR-UHFFFAOYSA-N 1 0 374.462 2.833 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(C)ccc3O)CC2)C1 ZINC001140619868 1035743810 /nfs/dbraw/zinc/74/38/10/1035743810.db2.gz SLJBQDNEFKSTCJ-KRWDZBQOSA-N 1 0 360.498 2.940 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)c1 ZINC001140620698 1035745327 /nfs/dbraw/zinc/74/53/27/1035745327.db2.gz YHCDTXMBKFNEHN-SFHVURJKSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CN(c4ccc(C)nn4)CCO[C@@H]3C2)c1 ZINC001140621668 1035748192 /nfs/dbraw/zinc/74/81/92/1035748192.db2.gz ORLOMUNOWUOAPR-YLJYHZDGSA-N 1 0 368.481 2.526 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c1O ZINC001140744373 1036032370 /nfs/dbraw/zinc/03/23/70/1036032370.db2.gz VKADNVUSEAAYIH-ROUUACIJSA-N 1 0 352.434 2.610 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2cnn(CC)c21 ZINC001232839982 1036094396 /nfs/dbraw/zinc/09/43/96/1036094396.db2.gz ZVFJPVVDOPZVOG-QGZVFWFLSA-N 1 0 358.486 2.811 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2c1cnn2CC ZINC001232839955 1036095622 /nfs/dbraw/zinc/09/56/22/1036095622.db2.gz ZJUZAYSSNRTBKZ-MRXNPFEDSA-N 1 0 358.486 2.811 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001232842028 1036099103 /nfs/dbraw/zinc/09/91/03/1036099103.db2.gz XLSYOZFPLWZAPM-LJQANCHMSA-N 1 0 367.465 2.897 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CC(=O)N(C3CCCC3)C2=O)C1 ZINC001277318452 1036232506 /nfs/dbraw/zinc/23/25/06/1036232506.db2.gz RHECJUKQTQLPDE-OAQYLSRUSA-N 1 0 356.466 2.984 20 10 FFCDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(O)c(O)c(O)c4)C3)CC2=O)c1 ZINC001233011564 1036245303 /nfs/dbraw/zinc/24/53/03/1036245303.db2.gz DURNCESBXRGZEN-NRFANRHFSA-N 1 0 368.433 2.741 20 10 FFCDRO CC[N@@H+](Cc1cc(O)c(O)c(O)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233016394 1036253231 /nfs/dbraw/zinc/25/32/31/1036253231.db2.gz VQJDGSRPLGQJKS-CYBMUJFWSA-N 1 0 366.458 2.882 20 10 FFCDRO [O-]c1c(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)ccc(F)c1F ZINC001233076866 1036321855 /nfs/dbraw/zinc/32/18/55/1036321855.db2.gz WFMHOVWOKYQTLJ-BXWFABGCSA-N 1 0 362.376 2.876 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1O ZINC001233107321 1036354614 /nfs/dbraw/zinc/35/46/14/1036354614.db2.gz XMSCXHWWQKNTQH-CQSZACIVSA-N 1 0 356.260 2.579 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(N)c3)CC2)c(OC)c1 ZINC001140902324 1036419699 /nfs/dbraw/zinc/41/96/99/1036419699.db2.gz WCWHFUUXQCCKEL-UHFFFAOYSA-N 1 0 357.454 2.617 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3csc(C4CC4)n3)cc2)CC1 ZINC001536523386 1069996454 /nfs/dbraw/zinc/99/64/54/1069996454.db2.gz FLQYRALKALMSRX-UHFFFAOYSA-N 1 0 356.495 2.702 20 10 FFCDRO CC[NH+](CC)C[C@H](C)Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198009 1036549316 /nfs/dbraw/zinc/54/93/16/1036549316.db2.gz SYXWXNJLNNHTKB-LBPRGKRZSA-N 1 0 369.417 2.982 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)CN1c1ccc(F)cc1 ZINC001233484006 1036650748 /nfs/dbraw/zinc/65/07/48/1036650748.db2.gz UTIAUSJWJVYYBV-HXUWFJFHSA-N 1 0 372.396 2.572 20 10 FFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483082 1036651493 /nfs/dbraw/zinc/65/14/93/1036651493.db2.gz NDQNCSRLDBNQOI-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)cc1O ZINC001233485722 1036653774 /nfs/dbraw/zinc/65/37/74/1036653774.db2.gz IOISQTLQWPXRKR-MRVPVSSYSA-N 1 0 359.304 2.585 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)cc1O ZINC001233487632 1036655942 /nfs/dbraw/zinc/65/59/42/1036655942.db2.gz LUXTUQVMQDCLBP-UHFFFAOYSA-N 1 0 367.405 2.790 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1O ZINC001233487365 1036656468 /nfs/dbraw/zinc/65/64/68/1036656468.db2.gz ASBWQKNIKWUTOA-UHFFFAOYSA-N 1 0 368.231 2.600 20 10 FFCDRO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387590 1036675379 /nfs/dbraw/zinc/67/53/79/1036675379.db2.gz LENRCEWCRJFJRF-SFHVURJKSA-N 1 0 370.852 2.644 20 10 FFCDRO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c(O)cc(OC)cc1OC)C2 ZINC001141026061 1036755848 /nfs/dbraw/zinc/75/58/48/1036755848.db2.gz AZVXTJOUUHLLDH-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cccc1OC(F)(F)F ZINC001233776142 1036757558 /nfs/dbraw/zinc/75/75/58/1036757558.db2.gz KTSOQCQLVJIRMZ-LBPRGKRZSA-N 1 0 355.316 2.734 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(OC)c1 ZINC001141027384 1036761524 /nfs/dbraw/zinc/76/15/24/1036761524.db2.gz XXLWRCDKNZJTEL-OAQYLSRUSA-N 1 0 368.433 2.530 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141032380 1036778638 /nfs/dbraw/zinc/77/86/38/1036778638.db2.gz ZYGWPFNQRSOZJK-UHFFFAOYSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(OC)c1 ZINC001141032416 1036778698 /nfs/dbraw/zinc/77/86/98/1036778698.db2.gz BDNJFCBEPCIVGW-UHFFFAOYSA-N 1 0 374.481 2.634 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncncc3C)C2)c(OC)c1 ZINC001141032612 1036779493 /nfs/dbraw/zinc/77/94/93/1036779493.db2.gz IYTPTZHJLWFROW-CQSZACIVSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cccc(OC)n3)CC2)c(OC)c1 ZINC001141032897 1036779688 /nfs/dbraw/zinc/77/96/88/1036779688.db2.gz RQERTIJIRTXQPT-UHFFFAOYSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c(OC)c1 ZINC001141032550 1036780738 /nfs/dbraw/zinc/78/07/38/1036780738.db2.gz GGZXZWWBGQBDNH-UHFFFAOYSA-N 1 0 374.481 2.634 20 10 FFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)C1=O ZINC001277812978 1036791050 /nfs/dbraw/zinc/79/10/50/1036791050.db2.gz IYQAUMBCUKKWQC-HXUWFJFHSA-N 1 0 362.470 2.634 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(CC)cc1O)C2 ZINC001277826068 1036874717 /nfs/dbraw/zinc/87/47/17/1036874717.db2.gz IMTXNIBXZQVDNI-NRFANRHFSA-N 1 0 360.498 2.806 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(C4COC4)C3)CC2)c(O)c1 ZINC001277830041 1036911154 /nfs/dbraw/zinc/91/11/54/1036911154.db2.gz MBYSCANUTFKKLS-UHFFFAOYSA-N 1 0 358.482 2.558 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(OC)cc(OC)c3O)C2)C1=O ZINC001277422015 1036913420 /nfs/dbraw/zinc/91/34/20/1036913420.db2.gz MLPCFEDDMSOPLU-XOBRGWDASA-N 1 0 362.470 2.632 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075843 1036925294 /nfs/dbraw/zinc/92/52/94/1036925294.db2.gz CCWJPHXNTHSSRW-LJQANCHMSA-N 1 0 370.493 2.730 20 10 FFCDRO CC1=NC2(CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)C(=O)N1C ZINC001141078869 1036932084 /nfs/dbraw/zinc/93/20/84/1036932084.db2.gz MAHJHQWHNNIJHJ-UHFFFAOYSA-N 1 0 366.509 2.610 20 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HCEMFGYXIJCDAE-NSHDSACASA-N 1 0 354.362 2.699 20 10 FFCDRO CCn1nnc2c1CCN(Cc1c(O)ccc3ccccc31)[C@@H]2COC ZINC001231586434 1037705336 /nfs/dbraw/zinc/70/53/36/1037705336.db2.gz HMZUDKRJKJQEJL-GOSISDBHSA-N 1 0 352.438 2.903 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1O ZINC001231591658 1037706939 /nfs/dbraw/zinc/70/69/39/1037706939.db2.gz HANKKDOOUNCKIN-UHFFFAOYSA-N 1 0 353.466 2.967 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CC4(C)COC4)C3)C2)cc1 ZINC001207791395 1037732809 /nfs/dbraw/zinc/73/28/09/1037732809.db2.gz PEPFNQBZIRIQSM-OAQYLSRUSA-N 1 0 360.498 2.651 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001277967502 1037735979 /nfs/dbraw/zinc/73/59/79/1037735979.db2.gz VKOBZUFIKCXTHH-OAHLLOKOSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635277 1037755027 /nfs/dbraw/zinc/75/50/27/1037755027.db2.gz FDRSEPVNEWCCMZ-CYBMUJFWSA-N 1 0 352.431 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636579 1037759886 /nfs/dbraw/zinc/75/98/86/1037759886.db2.gz QNFXELCPKBINMD-CYBMUJFWSA-N 1 0 366.458 2.843 20 10 FFCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(OC)c(O)cc1O ZINC001231639560 1037761808 /nfs/dbraw/zinc/76/18/08/1037761808.db2.gz UEWBVWYLXKGSGB-UHFFFAOYSA-N 1 0 354.447 2.795 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC001231852933 1037948126 /nfs/dbraw/zinc/94/81/26/1037948126.db2.gz SVZWQWRONCZBED-PXNSSMCTSA-N 1 0 365.477 2.856 20 10 FFCDRO Cc1noc(C[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)c(C)cc4O)C[C@H]3O2)n1 ZINC001231868662 1037964329 /nfs/dbraw/zinc/96/43/29/1037964329.db2.gz DRXYSEMIZBJYPF-JJRVBVJISA-N 1 0 363.845 2.877 20 10 FFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC001236750777 1038234470 /nfs/dbraw/zinc/23/44/70/1038234470.db2.gz JXPOCQFKLSEQQY-YWZLYKJASA-N 1 0 365.470 2.817 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)cc1OC ZINC001236750929 1038234620 /nfs/dbraw/zinc/23/46/20/1038234620.db2.gz AKHSFXNQVGPJOM-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)[C@H]1C ZINC001236752698 1038237440 /nfs/dbraw/zinc/23/74/40/1038237440.db2.gz FHEHYNALGCIUPH-JQWIXIFHSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(CN2CCc3c(=O)[nH]ccc3C2)c(O)cc1Br ZINC001236756789 1038243255 /nfs/dbraw/zinc/24/32/55/1038243255.db2.gz NLTLESDJRPFOHU-UHFFFAOYSA-N 1 0 365.227 2.822 20 10 FFCDRO CC(C)(C)[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)C[C@@H](O)CO ZINC001236780081 1038263009 /nfs/dbraw/zinc/26/30/09/1038263009.db2.gz XTOOXXIPLLXIQZ-GOSISDBHSA-N 1 0 359.466 2.925 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001236788402 1038269352 /nfs/dbraw/zinc/26/93/52/1038269352.db2.gz JYZDEWAQJRTHLG-DENIHFKCSA-N 1 0 365.477 2.878 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001236812186 1038285503 /nfs/dbraw/zinc/28/55/03/1038285503.db2.gz XMPDTLZLMDGLNW-NXHRZFHOSA-N 1 0 359.426 2.895 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(O)c1 ZINC001236811788 1038285797 /nfs/dbraw/zinc/28/57/97/1038285797.db2.gz UGWULEJORUYGBQ-SFHVURJKSA-N 1 0 358.482 2.980 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)c(O)c1 ZINC001236810701 1038286857 /nfs/dbraw/zinc/28/68/57/1038286857.db2.gz IVYQMWAJSPQIRF-NRFANRHFSA-N 1 0 367.449 2.733 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001236815374 1038288696 /nfs/dbraw/zinc/28/86/96/1038288696.db2.gz KHXNOAZIQJADRY-QGZVFWFLSA-N 1 0 370.449 2.852 20 10 FFCDRO CCC[N@@H+](Cc1ccc(I)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236841972 1038304239 /nfs/dbraw/zinc/30/42/39/1038304239.db2.gz BLTGZOAZOAIAKK-LBPRGKRZSA-N 1 0 374.266 2.818 20 10 FFCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236920992 1038356802 /nfs/dbraw/zinc/35/68/02/1038356802.db2.gz BNPWACGHBPNWFO-GOSISDBHSA-N 1 0 356.869 2.863 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929638 1038362155 /nfs/dbraw/zinc/36/21/55/1038362155.db2.gz HSPCAYNHVGBDOA-OAHLLOKOSA-N 1 0 366.889 2.952 20 10 FFCDRO CC(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)CC2)C1=O ZINC001278042917 1038410355 /nfs/dbraw/zinc/41/03/55/1038410355.db2.gz AOMMACAXPRUUSY-HXUWFJFHSA-N 1 0 362.470 2.664 20 10 FFCDRO CCOc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c(O)c1 ZINC001237040152 1038417040 /nfs/dbraw/zinc/41/70/40/1038417040.db2.gz FFZPEFUHAUBJBG-UHFFFAOYSA-N 1 0 367.449 2.534 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001237058542 1038426980 /nfs/dbraw/zinc/42/69/80/1038426980.db2.gz AMBINBXUCOIBKP-CQSZACIVSA-N 1 0 369.343 2.777 20 10 FFCDRO COc1cc(O)c(CN2CC([NH+]3CCCCC3)C2)c(Br)c1 ZINC001237066774 1038431874 /nfs/dbraw/zinc/43/18/74/1038431874.db2.gz ARLRIQWAQHJOEJ-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(Br)c1 ZINC001237070454 1038435727 /nfs/dbraw/zinc/43/57/27/1038435727.db2.gz MPQSJPIOWWNFHN-NUMJRFHMSA-N 1 0 354.244 2.773 20 10 FFCDRO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H](C)O1 ZINC001256236035 1038444278 /nfs/dbraw/zinc/44/42/78/1038444278.db2.gz BWBLKLQOJIKYOK-LZQZEXGQSA-N 1 0 362.518 2.564 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(C)ccc2O)C3)CCC1 ZINC001278614625 1038816254 /nfs/dbraw/zinc/81/62/54/1038816254.db2.gz BOHNRRRCTKKPBT-WMZOPIPTSA-N 1 0 358.482 2.693 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001251303299 1039058833 /nfs/dbraw/zinc/05/88/33/1039058833.db2.gz PAGQEXXEEDBFMF-FQEVSTJZSA-N 1 0 362.470 2.512 20 10 FFCDRO COc1ccc(N2CCN(C3CC[NH+](CC(C)C)CC3)CC2)c(OC)c1 ZINC001258018805 1039116800 /nfs/dbraw/zinc/11/68/00/1039116800.db2.gz VCQZJOSQWYOSQQ-UHFFFAOYSA-N 1 0 361.530 2.946 20 10 FFCDRO COc1ccc(NC[C@]2(O)CC[NH2+]C2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC001245964192 1039167144 /nfs/dbraw/zinc/16/71/44/1039167144.db2.gz QOGCVXFFWAUCBZ-IBGZPJMESA-N 1 0 360.841 2.716 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CN(CC2CCCC2)C(=O)CO3)c1O ZINC001276684238 1039553175 /nfs/dbraw/zinc/55/31/75/1039553175.db2.gz ZMLJBUZLAOITIQ-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CN3CC[NH2+]C[C@@H]3C)n2)cc1 ZINC001248311749 1040222227 /nfs/dbraw/zinc/22/22/27/1040222227.db2.gz FGRNEGVJPGMQIZ-INIZCTEOSA-N 1 0 351.454 2.938 20 10 FFCDRO CCCCC[C@@H](O)C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001253552513 1040237158 /nfs/dbraw/zinc/23/71/58/1040237158.db2.gz XMLFDLPNRAMHQX-HXUWFJFHSA-N 1 0 363.546 2.738 20 10 FFCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)CCC4)c2)CC1 ZINC001259860848 1040251837 /nfs/dbraw/zinc/25/18/37/1040251837.db2.gz USNZLHCKTZWETO-UHFFFAOYSA-N 1 0 371.506 2.728 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C)cc3)CC2)cc1 ZINC001253830785 1040397248 /nfs/dbraw/zinc/39/72/48/1040397248.db2.gz QOMBSCMQLNBWAS-FQEVSTJZSA-N 1 0 370.493 2.956 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001278761324 1040563245 /nfs/dbraw/zinc/56/32/45/1040563245.db2.gz DQGWQORXMNGPMG-GSEOLPGOSA-N 1 0 372.509 2.515 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC001254380124 1040690040 /nfs/dbraw/zinc/69/00/40/1040690040.db2.gz JWJDEHHANIUZMN-TZIWHRDSSA-N 1 0 360.498 2.793 20 10 FFCDRO CC(=O)N1CCC([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001254431821 1040717789 /nfs/dbraw/zinc/71/77/89/1040717789.db2.gz CXCOBNHQGZERJK-UHFFFAOYSA-N 1 0 371.403 2.718 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc(O)c(O)c3)CC2)cc1 ZINC001254466856 1040734341 /nfs/dbraw/zinc/73/43/41/1040734341.db2.gz QHIBMEICTIZUAJ-UHFFFAOYSA-N 1 0 357.410 2.807 20 10 FFCDRO Cc1cccc(C[NH2+][C@H]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001254812873 1040976151 /nfs/dbraw/zinc/97/61/51/1040976151.db2.gz MYBHCHGCTSCUGT-INIZCTEOSA-N 1 0 362.470 2.959 20 10 FFCDRO CC(=O)Nc1ccc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2ccccc2O)cc1 ZINC001278551526 1041114182 /nfs/dbraw/zinc/11/41/82/1041114182.db2.gz IXVQBQQLXDWCOX-BGYRXZFFSA-N 1 0 351.450 2.809 20 10 FFCDRO COc1cccc(CN2CC3(C2)CC[N@H+](Cc2scnc2C)C3)c1O ZINC001278562223 1041179385 /nfs/dbraw/zinc/17/93/85/1041179385.db2.gz ANCMEMWIJUKTEM-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)c(O)c1 ZINC001278576113 1041236508 /nfs/dbraw/zinc/23/65/08/1041236508.db2.gz HERAASHZKCMDTF-ROUUACIJSA-N 1 0 372.490 2.880 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)OCC3CC3)C[C@H]2C)cc1C ZINC001214273141 1041346439 /nfs/dbraw/zinc/34/64/39/1041346439.db2.gz XCWMGPDOKBXXLX-JTDSTZFVSA-N 1 0 360.498 2.755 20 10 FFCDRO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])cc(F)cc1F ZINC001278606333 1041397677 /nfs/dbraw/zinc/39/76/77/1041397677.db2.gz WBAXRDHVBKVJEA-AGUYFDCRSA-N 1 0 353.413 2.873 20 10 FFCDRO Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262350864 1041651085 /nfs/dbraw/zinc/65/10/85/1041651085.db2.gz IHNRVEXBHIPTAF-XOBRGWDASA-N 1 0 371.529 2.690 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2N)[NH+](C)C)cc1 ZINC001263260311 1042204579 /nfs/dbraw/zinc/20/45/79/1042204579.db2.gz XHHKYBQSPYDLFO-HXUWFJFHSA-N 1 0 354.498 2.687 20 10 FFCDRO O=C(Cc1ccsc1)N1CC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001279140762 1042916555 /nfs/dbraw/zinc/91/65/55/1042916555.db2.gz JJALFSFXXHZCHY-UHFFFAOYSA-N 1 0 372.490 2.826 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001279192127 1042939962 /nfs/dbraw/zinc/93/99/62/1042939962.db2.gz HMMXWAYRPPNRBQ-KBXCAEBGSA-N 1 0 357.429 2.525 20 10 FFCDRO COC1(CC(=O)N2C[C@@H]3CC[N@H+](Cc4cc(F)ccc4O)[C@@H]3C2)CCC1 ZINC001279192146 1042940038 /nfs/dbraw/zinc/94/00/38/1042940038.db2.gz HWOKLYWATVBLQG-WMLDXEAASA-N 1 0 362.445 2.523 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)ccc2O)CCC1 ZINC001279193059 1042940780 /nfs/dbraw/zinc/94/07/80/1042940780.db2.gz YLPUYAIIBPZBRW-CALCHBBNSA-N 1 0 362.445 2.666 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)c1O ZINC001279234707 1042958558 /nfs/dbraw/zinc/95/85/58/1042958558.db2.gz HNBUTQWXYNIBPA-OKILXGFUSA-N 1 0 371.403 2.930 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001279235251 1042959054 /nfs/dbraw/zinc/95/90/54/1042959054.db2.gz NZAQMGKSUJLGJV-NRFANRHFSA-N 1 0 362.514 2.917 20 10 FFCDRO O=C([O-])c1ccc(O)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279282458 1042982268 /nfs/dbraw/zinc/98/22/68/1042982268.db2.gz KTILUGUKACHDGJ-UHFFFAOYSA-N 1 0 355.438 2.517 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)CCc4ccc[nH]4)C[C@H]32)c1O ZINC001279289960 1042985304 /nfs/dbraw/zinc/98/53/04/1042985304.db2.gz CQBYLHLKLDWVOI-QFBILLFUSA-N 1 0 353.466 2.694 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1CC2(C1)C[NH+](Cc1ccc(C)cc1O)C2 ZINC001279337990 1043010836 /nfs/dbraw/zinc/01/08/36/1043010836.db2.gz DVJWUJZOVMWEFY-UHFFFAOYSA-N 1 0 356.426 2.655 20 10 FFCDRO C[N@H+](CCCc1ccccc1)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237206105 1043051111 /nfs/dbraw/zinc/05/11/11/1043051111.db2.gz MAGXMQYEFQUHJP-UHFFFAOYSA-N 1 0 372.534 2.986 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001279395821 1043052753 /nfs/dbraw/zinc/05/27/53/1043052753.db2.gz RJXBLDLSVWPSCN-APWZRJJASA-N 1 0 362.514 2.816 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC001237221633 1043061820 /nfs/dbraw/zinc/06/18/20/1043061820.db2.gz ULEWCZOFCVMJJG-RTBURBONSA-N 1 0 362.539 2.934 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001279430382 1043104892 /nfs/dbraw/zinc/10/48/92/1043104892.db2.gz DRQKKVVDFXCGPM-BGYRXZFFSA-N 1 0 354.498 2.938 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001279430791 1043105277 /nfs/dbraw/zinc/10/52/77/1043105277.db2.gz UDNWSCNYXRFHAN-PMACEKPBSA-N 1 0 354.498 2.938 20 10 FFCDRO Cc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)cc1Cl ZINC001279432675 1043106633 /nfs/dbraw/zinc/10/66/33/1043106633.db2.gz HPLONKMIMGZHAT-ROUUACIJSA-N 1 0 360.889 2.899 20 10 FFCDRO CCOc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(C(=O)OC)c2)c(O)c1 ZINC001237455554 1043177311 /nfs/dbraw/zinc/17/73/11/1043177311.db2.gz NFARBAXEEAIMER-LJQANCHMSA-N 1 0 370.449 2.724 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1CCc2nc(C(=O)N3CCCC3)sc2CC1 ZINC001237485270 1043197909 /nfs/dbraw/zinc/19/79/09/1043197909.db2.gz MVJCEWIRCVJPCU-UHFFFAOYSA-N 1 0 371.506 2.994 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C(=O)NCc2ccco2)C[C@H]2OCC[C@H]21 ZINC001237486325 1043199206 /nfs/dbraw/zinc/19/92/06/1043199206.db2.gz QKFGHBDVZDQOIK-QKYXUNIQSA-N 1 0 370.449 2.589 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 ZINC001237493531 1043206559 /nfs/dbraw/zinc/20/65/59/1043206559.db2.gz ZKEMNBDXKPJLJR-HNNXBMFYSA-N 1 0 350.459 2.504 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCCCN3C(C)=O)CC2)c(O)c(OC)c1 ZINC001237673575 1043302780 /nfs/dbraw/zinc/30/27/80/1043302780.db2.gz LXQNKXKKEAFCQE-UHFFFAOYSA-N 1 0 362.470 2.776 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)c(O)c(OC)c1 ZINC001237674438 1043303422 /nfs/dbraw/zinc/30/34/22/1043303422.db2.gz HOQCKEUAUHMXHE-BZNIZROVSA-N 1 0 363.376 2.935 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)c1O ZINC001237686289 1043313193 /nfs/dbraw/zinc/31/31/93/1043313193.db2.gz HMIWULKVMNJQRL-IRXDYDNUSA-N 1 0 371.868 2.953 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)c(O)c(OC)c1 ZINC001237686457 1043313584 /nfs/dbraw/zinc/31/35/84/1043313584.db2.gz ZSNNSOLVDNPNPO-UHFFFAOYSA-N 1 0 374.481 2.634 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(I)c2O)C1 ZINC001237781031 1043354126 /nfs/dbraw/zinc/35/41/26/1043354126.db2.gz RCADQNIRRZJYIZ-CYBMUJFWSA-N 1 0 374.266 2.913 20 10 FFCDRO Oc1ccc(F)c(Cl)c1CN1CC[C@H]2C[N@H+](CCn3ccnc3)C[C@H]21 ZINC001279683196 1043462338 /nfs/dbraw/zinc/46/23/38/1043462338.db2.gz AHABEOQEYDBGQG-XJKSGUPXSA-N 1 0 364.852 2.588 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001279698969 1043492110 /nfs/dbraw/zinc/49/21/10/1043492110.db2.gz FNGQYWSBGDZJNW-KRWDZBQOSA-N 1 0 369.303 2.760 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1O ZINC001238059837 1043505846 /nfs/dbraw/zinc/50/58/46/1043505846.db2.gz DYADKANZJMCYLD-UHFFFAOYSA-N 1 0 355.413 2.583 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(F)(C3CC3)C2)cc1 ZINC001279744610 1043575919 /nfs/dbraw/zinc/57/59/19/1043575919.db2.gz UCLVZRZNWOZRGI-UTKZUKDTSA-N 1 0 357.473 2.678 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC3(C)C[NH2+]C3)cc2)cc1 ZINC001238201497 1043605376 /nfs/dbraw/zinc/60/53/76/1043605376.db2.gz OBQDKBBTLQMZGK-QZQOTICOSA-N 1 0 373.482 2.808 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC[C@@H]3CC[NH2+]3)cc2)cc1 ZINC001238412340 1043692886 /nfs/dbraw/zinc/69/28/86/1043692886.db2.gz KHDSEWFYWWVDCP-YWBAYFEHSA-N 1 0 373.482 2.808 20 10 FFCDRO Cc1cc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)cc1Br ZINC001279823647 1043712167 /nfs/dbraw/zinc/71/21/67/1043712167.db2.gz JZDQUQRNGUSJAE-KRWDZBQOSA-N 1 0 369.303 2.760 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc3nonc32)[NH+](C)C)cc1 ZINC001310619654 1043713974 /nfs/dbraw/zinc/71/39/74/1043713974.db2.gz XMWKSGRSCLSESU-QGZVFWFLSA-N 1 0 368.441 2.713 20 10 FFCDRO C[NH2+]C1CN(S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)C1 ZINC001238919879 1043950652 /nfs/dbraw/zinc/95/06/52/1043950652.db2.gz WIZOIVLNDPPOJO-QZQOTICOSA-N 1 0 373.482 2.760 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C23CC(C(=O)Nc4onc(C)c4C)(C2)C3)c1 ZINC001279983173 1044033804 /nfs/dbraw/zinc/03/38/04/1044033804.db2.gz FTIJEEIVSHQTTA-UHFFFAOYSA-N 1 0 357.410 2.657 20 10 FFCDRO O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279983856 1044036024 /nfs/dbraw/zinc/03/60/24/1044036024.db2.gz UEURFEUSNVPFBI-RDTXWAMCSA-N 1 0 364.848 2.828 20 10 FFCDRO CCN(C(=O)[C@@H]1COCCC12C[NH+](Cc1ccc(C)cc1O)C2)C(C)C ZINC001280046494 1044133009 /nfs/dbraw/zinc/13/30/09/1044133009.db2.gz LHGIVBRWEBBUKQ-SFHVURJKSA-N 1 0 360.498 2.796 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3ccc(O)cc3O)C2)c(O)c1 ZINC001280046800 1044133991 /nfs/dbraw/zinc/13/39/91/1044133991.db2.gz QTAZDHLDGLSGOB-JLTOFOAXSA-N 1 0 354.406 2.572 20 10 FFCDRO C[C@H]1[C@@H](NC(=O)NCc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001312816166 1044174716 /nfs/dbraw/zinc/17/47/16/1044174716.db2.gz OYGFGSFVEVUKHM-KSSFIOAISA-N 1 0 357.429 2.994 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCOC23CCCC3)[NH+](C)C)cc1 ZINC001313394224 1044345135 /nfs/dbraw/zinc/34/51/35/1044345135.db2.gz KXJZUKNXOYQFEK-MOPGFXCFSA-N 1 0 374.529 2.756 20 10 FFCDRO O=C(Nc1nnco1)[C@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292153 1044560068 /nfs/dbraw/zinc/56/00/68/1044560068.db2.gz HQUVOTLNFFKHDV-RDTXWAMCSA-N 1 0 360.389 2.545 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1O ZINC001324389653 1046000713 /nfs/dbraw/zinc/00/07/13/1046000713.db2.gz IRSCHKCQCZQJFI-UHFFFAOYSA-N 1 0 359.445 2.582 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)C2)cc1 ZINC001325898062 1046679755 /nfs/dbraw/zinc/67/97/55/1046679755.db2.gz ZAMMLQBPCVYPAT-LSTHTHJFSA-N 1 0 374.529 2.694 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC001326983478 1047152628 /nfs/dbraw/zinc/15/26/28/1047152628.db2.gz DWFXXSHYVBJGTO-HNNXBMFYSA-N 1 0 371.865 2.523 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC001331518831 1047981413 /nfs/dbraw/zinc/98/14/13/1047981413.db2.gz KPIPFSAWHQTDBB-MSOLQXFVSA-N 1 0 353.457 2.764 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3ccc4oc(=O)[nH]c4c3)cc2F)CC1 ZINC001332395227 1048376826 /nfs/dbraw/zinc/37/68/26/1048376826.db2.gz GEWWZAMOHBJXBG-UHFFFAOYSA-N 1 0 370.428 2.714 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)ccc1N1CCCCC1 ZINC000736648119 1048629278 /nfs/dbraw/zinc/62/92/78/1048629278.db2.gz PELZMHJNZVTJSW-INIZCTEOSA-N 1 0 355.442 2.955 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N(CCC[NH3+])CC(F)(F)F)cs2)cc1 ZINC001333198613 1048755180 /nfs/dbraw/zinc/75/51/80/1048755180.db2.gz XHPPHDWGHRDKDI-UHFFFAOYSA-N 1 0 372.416 2.669 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC(C)(C)C ZINC001329940803 1048977796 /nfs/dbraw/zinc/97/77/96/1048977796.db2.gz MPCQPRHTVVAKBI-HNNXBMFYSA-N 1 0 365.493 2.645 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(F)c3N)cc2F)CC1 ZINC001293090310 1049482543 /nfs/dbraw/zinc/48/25/43/1049482543.db2.gz NRNDDIKZIQCBGZ-UHFFFAOYSA-N 1 0 374.435 2.619 20 10 FFCDRO Cc1cc(C(=O)NOC[C@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC001340588882 1050974957 /nfs/dbraw/zinc/97/49/57/1050974957.db2.gz MYZQXZVAQDWQSN-JTQLQIEISA-N 1 0 366.259 2.865 20 10 FFCDRO Cc1ccn2ncc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2c1 ZINC001304767408 1051689723 /nfs/dbraw/zinc/68/97/23/1051689723.db2.gz GLEMNHNZTBFTMP-HXUWFJFHSA-N 1 0 365.481 2.741 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]4CC[C@]43C[NH3+])cs2)cc1 ZINC001341334454 1051690522 /nfs/dbraw/zinc/69/05/22/1051690522.db2.gz FVKFXRPSADEZCZ-LIRRHRJNSA-N 1 0 356.495 2.660 20 10 FFCDRO C[NH+]1CCN(c2ccc(NCc3cc(Cl)cc(F)c3O)nc2)CC1 ZINC001308214518 1052432798 /nfs/dbraw/zinc/43/27/98/1052432798.db2.gz SSXDLWLAFVWJPQ-UHFFFAOYSA-N 1 0 350.825 2.944 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn3cccc(F)c3n2)N(C)C)cc1 ZINC001308543919 1052466748 /nfs/dbraw/zinc/46/67/48/1052466748.db2.gz MKWOQVZACWHDMR-IBGZPJMESA-N 1 0 355.461 2.932 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c2cc(F)ccc2n1C ZINC001308793019 1052499459 /nfs/dbraw/zinc/49/94/59/1052499459.db2.gz PLZIZRPOLZBGMM-HXUWFJFHSA-N 1 0 362.445 2.944 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001337644766 1054917188 /nfs/dbraw/zinc/91/71/88/1054917188.db2.gz PLHSSQMBOFHNOZ-UHFFFAOYSA-N 1 0 367.449 2.585 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(O)c1OC ZINC001352023689 1055132176 /nfs/dbraw/zinc/13/21/76/1055132176.db2.gz XSAUGVDBINIMCC-BLLLJJGKSA-N 1 0 363.376 2.983 20 10 FFCDRO CC(C)n1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001352052316 1055156639 /nfs/dbraw/zinc/15/66/39/1055156639.db2.gz KCECQDQRDPILJG-LJQANCHMSA-N 1 0 372.517 2.632 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001352101022 1055191192 /nfs/dbraw/zinc/19/11/92/1055191192.db2.gz WOGKQLDVVYXGTB-PBTNIWHWSA-N 1 0 373.453 2.948 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@](C)(O)c1ccccc1 ZINC001349568107 1055343869 /nfs/dbraw/zinc/34/38/69/1055343869.db2.gz FCEIPOMJQJLNCK-JTSKRJEESA-N 1 0 371.500 2.963 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848926458 1055378882 /nfs/dbraw/zinc/37/88/82/1055378882.db2.gz QDWUNRRFYBJTNA-XZOQPEGZSA-N 1 0 365.521 2.964 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001357385607 1055888002 /nfs/dbraw/zinc/88/80/02/1055888002.db2.gz XDCRJBVTORBNTJ-IAOVAPTHSA-N 1 0 365.424 2.514 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001544576788 1071663027 /nfs/dbraw/zinc/66/30/27/1071663027.db2.gz CCOLDQNHNFPCES-UHFFFAOYSA-N 1 0 353.466 2.896 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000849349295 1056836134 /nfs/dbraw/zinc/83/61/34/1056836134.db2.gz ZIJLMHCVZLRVTI-CVEARBPZSA-N 1 0 361.486 2.873 20 10 FFCDRO CCc1cc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC001519556575 1058821109 /nfs/dbraw/zinc/82/11/09/1058821109.db2.gz ZCLKFUSJILYGAO-UHFFFAOYSA-N 1 0 368.481 2.699 20 10 FFCDRO CCCn1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001354675789 1059352140 /nfs/dbraw/zinc/35/21/40/1059352140.db2.gz GFNVMTPGWPPWIA-SFHVURJKSA-N 1 0 358.490 2.784 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2F)CC1 ZINC001355302707 1060092642 /nfs/dbraw/zinc/09/26/42/1060092642.db2.gz SRXUZCLSOJZXHH-WIYYLYMNSA-N 1 0 361.505 2.872 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cc4n(n3)CCCC4)cc2F)CC1 ZINC000848535764 1060238313 /nfs/dbraw/zinc/23/83/13/1060238313.db2.gz KBTKGEUBEVDMER-UHFFFAOYSA-N 1 0 371.504 2.790 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC[NH2+]1 ZINC001521465175 1060603494 /nfs/dbraw/zinc/60/34/94/1060603494.db2.gz YVQBCWSADOBOQU-ZIAGYGMSSA-N 1 0 367.440 2.761 20 10 FFCDRO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001546421738 1061134710 /nfs/dbraw/zinc/13/47/10/1061134710.db2.gz QSHNPYSSGRWJHM-HNNXBMFYSA-N 1 0 355.486 2.667 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)cc1C ZINC001461251487 1061268910 /nfs/dbraw/zinc/26/89/10/1061268910.db2.gz GKNLUGMVSFYSAU-KRWDZBQOSA-N 1 0 356.470 2.721 20 10 FFCDRO COc1cc(C)c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c(O)c1 ZINC001462434051 1061622341 /nfs/dbraw/zinc/62/23/41/1061622341.db2.gz AQPYGEKNAOXCTJ-UHFFFAOYSA-N 1 0 359.413 2.756 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001528038429 1061725747 /nfs/dbraw/zinc/72/57/47/1061725747.db2.gz YBAOIQIKMFZEGH-ZWKOTPCHSA-N 1 0 361.486 2.567 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCOC3CCCC3)cc2)CC1 ZINC001477667751 1061766788 /nfs/dbraw/zinc/76/67/88/1061766788.db2.gz ZEUSNASGCHFDGX-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1)C1CCCCC1 ZINC001464534379 1062670819 /nfs/dbraw/zinc/67/08/19/1062670819.db2.gz ARHATTHWMOHKSI-FPOVZHCZSA-N 1 0 359.514 2.527 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001465532424 1063125446 /nfs/dbraw/zinc/12/54/46/1063125446.db2.gz BYFSXVMPISDILI-LSDHHAIUSA-N 1 0 369.456 2.961 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2csc(Cl)n2)[NH+](C)C)cc1 ZINC001439961822 1063240440 /nfs/dbraw/zinc/24/04/40/1063240440.db2.gz SSNBOKIYOANNRD-AWEZNQCLSA-N 1 0 352.891 2.895 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1F ZINC001465930619 1063269001 /nfs/dbraw/zinc/26/90/01/1063269001.db2.gz YURXPZIGCGMVCC-HZPDHXFCSA-N 1 0 363.477 2.603 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC001533683887 1063373505 /nfs/dbraw/zinc/37/35/05/1063373505.db2.gz LZGZDKFWMXHFOP-MRXNPFEDSA-N 1 0 355.457 2.997 20 10 FFCDRO C[C@@H]1CCc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn2C1 ZINC001472280513 1064998701 /nfs/dbraw/zinc/99/87/01/1064998701.db2.gz FOZMJIVWNQGBOZ-DNVCBOLYSA-N 1 0 369.513 2.564 20 10 FFCDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC001575927477 1078178728 /nfs/dbraw/zinc/17/87/28/1078178728.db2.gz YTJYCRVZIKFMLT-HNAYVOBHSA-N 1 0 353.466 2.778 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)cc1F ZINC001473935002 1065423471 /nfs/dbraw/zinc/42/34/71/1065423471.db2.gz LOMOKWNWASMFIK-UHFFFAOYSA-N 1 0 351.447 2.553 20 10 FFCDRO C[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001576220594 1078207698 /nfs/dbraw/zinc/20/76/98/1078207698.db2.gz LCEBULMTAWSJHK-GQIGUUNPSA-N 1 0 355.482 2.862 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CCC([NH3+])CC2)cc1 ZINC001579589598 1078646746 /nfs/dbraw/zinc/64/67/46/1078646746.db2.gz KMFUVYXSKZJZHU-UHFFFAOYSA-N 1 0 353.466 2.835 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(N2CC[C@@H]([NH3+])C2)nnc1C(C)(C)C ZINC001579618074 1078650676 /nfs/dbraw/zinc/65/06/76/1078650676.db2.gz HGCGJPFHWXOVQP-MRXNPFEDSA-N 1 0 356.518 2.536 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1F ZINC001560589683 1076282190 /nfs/dbraw/zinc/28/21/90/1076282190.db2.gz XKVJHEMWCQBAAC-UHFFFAOYSA-N 1 0 371.522 2.622 20 10 FFCDRO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1c(O)cccc1Br ZINC001560593453 1076282817 /nfs/dbraw/zinc/28/28/17/1076282817.db2.gz DKTQLTVCDLQSQN-LBPRGKRZSA-N 1 0 374.275 2.660 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(O)c1 ZINC000369081718 512219272 /nfs/dbraw/zinc/21/92/72/512219272.db2.gz CCWXUZJYDIKWJI-PKOBYXMFSA-N 1 0 355.438 2.645 20 10 FFCDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786434 506622713 /nfs/dbraw/zinc/62/27/13/506622713.db2.gz GVKLMGAZGZITKV-SFHVURJKSA-N 1 0 374.529 2.587 20 10 FFCDRO O=C([C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCOCC1 ZINC000025473265 507503877 /nfs/dbraw/zinc/50/38/77/507503877.db2.gz MBXNJQMSNVOWJD-KRWDZBQOSA-N 1 0 354.450 2.616 20 10 FFCDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)c(C)n1-c1ccccc1 ZINC000073322853 507913873 /nfs/dbraw/zinc/91/38/73/507913873.db2.gz KSSNDEIMQITRKS-UHFFFAOYSA-N 1 0 355.482 2.935 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000090232095 507916230 /nfs/dbraw/zinc/91/62/30/507916230.db2.gz NUZKLDYLBXONGH-OAHLLOKOSA-N 1 0 365.543 2.750 20 10 FFCDRO O=C(CCC[NH2+]Cc1cc2c(cc1O)OCO2)N1Cc2ccccc2C1 ZINC000111405867 508096754 /nfs/dbraw/zinc/09/67/54/508096754.db2.gz DYMHBOSYHLJDQY-UHFFFAOYSA-N 1 0 354.406 2.533 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c(O)c1 ZINC000093272104 508131772 /nfs/dbraw/zinc/13/17/72/508131772.db2.gz PPIOVIASARAXEO-UHFFFAOYSA-N 1 0 356.470 2.992 20 10 FFCDRO O=C(CC[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134258814 508514270 /nfs/dbraw/zinc/51/42/70/508514270.db2.gz XYZNVGNGSPXKAG-RHSMWYFYSA-N 1 0 366.889 2.943 20 10 FFCDRO O=C(CC1CCOCC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269353 508515104 /nfs/dbraw/zinc/51/51/04/508515104.db2.gz ODYYNZKXPQWAAK-KRWDZBQOSA-N 1 0 366.889 2.943 20 10 FFCDRO COCCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158051048 508649614 /nfs/dbraw/zinc/64/96/14/508649614.db2.gz KBYCMNNGBALSIU-INIZCTEOSA-N 1 0 354.878 2.943 20 10 FFCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151550055 509041428 /nfs/dbraw/zinc/04/14/28/509041428.db2.gz LNEXKUZTFKCLQH-SFHVURJKSA-N 1 0 358.461 2.688 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(S(N)(=O)=O)cc1 ZINC000126665149 509109617 /nfs/dbraw/zinc/10/96/17/509109617.db2.gz AFFGVCVKUSZXLF-CQSZACIVSA-N 1 0 359.495 2.567 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191808844 509191867 /nfs/dbraw/zinc/19/18/67/509191867.db2.gz DMBWBUREPFJLRR-KRWDZBQOSA-N 1 0 370.449 2.609 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(O)c1 ZINC000186026018 509487780 /nfs/dbraw/zinc/48/77/80/509487780.db2.gz BPMJMKKBCVXKNB-GFCCVEGCSA-N 1 0 362.442 2.616 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1O ZINC000186054480 509500692 /nfs/dbraw/zinc/50/06/92/509500692.db2.gz SLZFGFTWZJLSAE-FZKQIMNGSA-N 1 0 350.422 2.735 20 10 FFCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000186100442 509522515 /nfs/dbraw/zinc/52/25/15/509522515.db2.gz PZUXBTPZKVUQPI-NSHDSACASA-N 1 0 358.891 2.653 20 10 FFCDRO COc1ccc(C[NH+]2CCC(CNC(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000237287049 509613760 /nfs/dbraw/zinc/61/37/60/509613760.db2.gz DCNMGZIWBCLSFA-UHFFFAOYSA-N 1 0 367.493 2.848 20 10 FFCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000179900179 509666276 /nfs/dbraw/zinc/66/62/76/509666276.db2.gz NKAJFURLCOWJIO-UHFFFAOYSA-N 1 0 355.482 2.935 20 10 FFCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000193152973 509799684 /nfs/dbraw/zinc/79/96/84/509799684.db2.gz GCBXVKQQJUFMMD-UHFFFAOYSA-N 1 0 355.438 2.881 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183473545 509811900 /nfs/dbraw/zinc/81/19/00/509811900.db2.gz ZWOOEOKBBBAJRK-KRWDZBQOSA-N 1 0 353.466 2.782 20 10 FFCDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000193399075 509896767 /nfs/dbraw/zinc/89/67/67/509896767.db2.gz CUMDQSBMCBLJSC-RPCJCACASA-N 1 0 361.530 2.673 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc(OC)c1OC ZINC000183701503 509934619 /nfs/dbraw/zinc/93/46/19/509934619.db2.gz WUTJEQICAFFMNI-SFHVURJKSA-N 1 0 372.465 2.568 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268987731 510177102 /nfs/dbraw/zinc/17/71/02/510177102.db2.gz QNRZRSHMOBABIH-BEFAXECRSA-N 1 0 367.534 2.750 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1O ZINC000181015809 510240380 /nfs/dbraw/zinc/24/03/80/510240380.db2.gz BYMFPFJEIVNISH-UHFFFAOYSA-N 1 0 374.934 2.894 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cn(C(C)(C)C)nn3)cc2F)CC1 ZINC000190981993 510448399 /nfs/dbraw/zinc/44/83/99/510448399.db2.gz BDDLLDGLRHFLLK-UHFFFAOYSA-N 1 0 374.508 2.604 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000191209115 510549431 /nfs/dbraw/zinc/54/94/31/510549431.db2.gz AJUIJIOQWZCWKD-LBPRGKRZSA-N 1 0 364.392 2.988 20 10 FFCDRO COc1cc(O)c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000182124147 510768676 /nfs/dbraw/zinc/76/86/76/510768676.db2.gz PJDZUGZJYGTEFZ-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000263691703 510793385 /nfs/dbraw/zinc/79/33/85/510793385.db2.gz PXCSOGIRFZEPGV-KZNAEPCWSA-N 1 0 373.541 2.773 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178855732 510805817 /nfs/dbraw/zinc/80/58/17/510805817.db2.gz AAGMUMKHZFJZIW-FQEVSTJZSA-N 1 0 371.437 2.597 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000275358769 510883481 /nfs/dbraw/zinc/88/34/81/510883481.db2.gz VYEYEVMYOCSPKW-LPHOPBHVSA-N 1 0 361.417 2.704 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nnc(C4CC4)o3)CC2)cc1 ZINC000276326741 510933102 /nfs/dbraw/zinc/93/31/02/510933102.db2.gz UXANYJMVODYTCC-UHFFFAOYSA-N 1 0 357.458 2.580 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277706035 510971004 /nfs/dbraw/zinc/97/10/04/510971004.db2.gz RQFWTJYGGCFWQB-UHFFFAOYSA-N 1 0 355.843 2.748 20 10 FFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000278002710 510977729 /nfs/dbraw/zinc/97/77/29/510977729.db2.gz VJPJIPKCZYECDD-GXTWGEPZSA-N 1 0 364.442 2.856 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473373 510993629 /nfs/dbraw/zinc/99/36/29/510993629.db2.gz HVTIPNOYBITLOG-SXBQZSJRSA-N 1 0 364.423 2.518 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473371 510993742 /nfs/dbraw/zinc/99/37/42/510993742.db2.gz HVTIPNOYBITLOG-PWECECGKSA-N 1 0 364.423 2.518 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000278550308 510999135 /nfs/dbraw/zinc/99/91/35/510999135.db2.gz YYTVVYKGSILHJX-TZMCWYRMSA-N 1 0 364.442 2.999 20 10 FFCDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000278661886 511003615 /nfs/dbraw/zinc/00/36/15/511003615.db2.gz KTUPIDGDCWZHAE-UHFFFAOYSA-N 1 0 358.442 2.683 20 10 FFCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287457160 511050410 /nfs/dbraw/zinc/05/04/10/511050410.db2.gz NAFCVKXVWNYWMS-PXNSSMCTSA-N 1 0 354.498 2.831 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(O)c1 ZINC000294472083 511075921 /nfs/dbraw/zinc/07/59/21/511075921.db2.gz WSLQWAJUNDQQFM-OAHLLOKOSA-N 1 0 363.479 2.626 20 10 FFCDRO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000289188038 511094945 /nfs/dbraw/zinc/09/49/45/511094945.db2.gz BDNQBKRZUCIXKR-UHFFFAOYSA-N 1 0 365.543 2.581 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CCC(O)CC1 ZINC000294806710 511182931 /nfs/dbraw/zinc/18/29/31/511182931.db2.gz JAJOCOXEZGZJGG-UHFFFAOYSA-N 1 0 356.466 2.518 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)cc2)CC1 ZINC000295127182 511291154 /nfs/dbraw/zinc/29/11/54/511291154.db2.gz XOFNJPBFEUMYOC-OAQYLSRUSA-N 1 0 373.541 2.598 20 10 FFCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272360186 511491736 /nfs/dbraw/zinc/49/17/36/511491736.db2.gz SBUPUPYUCSVPPS-BIENJYKASA-N 1 0 351.466 2.573 20 10 FFCDRO COc1cccc(C2([NH2+]CC(=O)NCc3ccc(N(C)C)cc3)CC2)c1 ZINC000299123837 511523657 /nfs/dbraw/zinc/52/36/57/511523657.db2.gz VVOGPPRDKNPKFL-UHFFFAOYSA-N 1 0 353.466 2.656 20 10 FFCDRO CCn1nc(C)c(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000295814917 511523812 /nfs/dbraw/zinc/52/38/12/511523812.db2.gz UHBGWFAFRUWGEU-CQSZACIVSA-N 1 0 365.428 2.966 20 10 FFCDRO CCn1ccnc1[C@H](C)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000295877330 511542553 /nfs/dbraw/zinc/54/25/53/511542553.db2.gz HKGSNLDGIMZLCY-SFHVURJKSA-N 1 0 371.529 2.775 20 10 FFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000273671040 511569620 /nfs/dbraw/zinc/56/96/20/511569620.db2.gz XUUGPRBPUZRNBW-AWEZNQCLSA-N 1 0 350.482 2.763 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000295999237 511583821 /nfs/dbraw/zinc/58/38/21/511583821.db2.gz OFVIIVVAVJVACR-SUMWQHHRSA-N 1 0 360.479 2.981 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296367470 511716319 /nfs/dbraw/zinc/71/63/19/511716319.db2.gz JBERABYFUKGERB-KGLIPLIRSA-N 1 0 362.470 2.853 20 10 FFCDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292790271 511719988 /nfs/dbraw/zinc/71/99/88/511719988.db2.gz MISHJMIJNHKAIG-GOSISDBHSA-N 1 0 360.479 2.525 20 10 FFCDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)ccc1O ZINC000317817312 511804985 /nfs/dbraw/zinc/80/49/85/511804985.db2.gz NTNLJECAOSVDDR-CQSZACIVSA-N 1 0 366.259 2.511 20 10 FFCDRO CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000363887422 511832568 /nfs/dbraw/zinc/83/25/68/511832568.db2.gz LIFBKSDOJARSIP-UHFFFAOYSA-N 1 0 351.922 2.895 20 10 FFCDRO COCCOCCOCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000274625885 511893063 /nfs/dbraw/zinc/89/30/63/511893063.db2.gz GZSFAIIBSFATNS-INIZCTEOSA-N 1 0 351.487 2.991 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297150169 512038805 /nfs/dbraw/zinc/03/88/05/512038805.db2.gz GEHGEIIABKQYEP-UHFFFAOYSA-N 1 0 372.517 2.953 20 10 FFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000285284162 512064089 /nfs/dbraw/zinc/06/40/89/512064089.db2.gz VBJRASSJQFERQK-QGZVFWFLSA-N 1 0 360.454 2.811 20 10 FFCDRO CN1CCN(C)[C@@H](C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293787720 512084446 /nfs/dbraw/zinc/08/44/46/512084446.db2.gz QLZGMYYMNDTOAV-FPOVZHCZSA-N 1 0 353.510 2.902 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1O ZINC000371845505 512600365 /nfs/dbraw/zinc/60/03/65/512600365.db2.gz FEKRSRHBCMJSAN-WMLDXEAASA-N 1 0 367.921 2.512 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369859031 512651502 /nfs/dbraw/zinc/65/15/02/512651502.db2.gz LUPHVXLSYVNDOB-UXHICEINSA-N 1 0 374.529 2.536 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1Cc1ccccn1 ZINC000372027330 512685132 /nfs/dbraw/zinc/68/51/32/512685132.db2.gz WPMUBAVIZCACFE-FQEVSTJZSA-N 1 0 365.477 2.947 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000370636944 513026983 /nfs/dbraw/zinc/02/69/83/513026983.db2.gz SURZOQNSKXMXEB-DOTOQJQBSA-N 1 0 352.482 2.781 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccnn2)C1 ZINC000568779561 519210440 /nfs/dbraw/zinc/21/04/40/519210440.db2.gz PNVIDSXZLJKAPS-UHFFFAOYSA-N 1 0 363.465 2.861 20 10 FFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN(CC4CC4)c4ccccc43)c21 ZINC000592966166 520663955 /nfs/dbraw/zinc/66/39/55/520663955.db2.gz VQHCPZXIGJPVTH-INIZCTEOSA-N 1 0 365.481 2.596 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000824009893 608468385 /nfs/dbraw/zinc/46/83/85/608468385.db2.gz DZOFJKCCEYZQEJ-JTQLQIEISA-N 1 0 355.373 2.765 20 10 FFCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OC)c1O ZINC000825317832 608547686 /nfs/dbraw/zinc/54/76/86/608547686.db2.gz DFKJFLLHFPXSPY-UHFFFAOYSA-N 1 0 353.426 2.993 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826210167 608590377 /nfs/dbraw/zinc/59/03/77/608590377.db2.gz HOYCUFNZSVTSDY-UHFFFAOYSA-N 1 0 363.421 2.870 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CC(F)(F)C2)[NH+](C)C)cc1 ZINC000899098871 735447339 /nfs/dbraw/zinc/44/73/39/735447339.db2.gz UFZLANHUTRFMEG-OAHLLOKOSA-N 1 0 354.445 2.842 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cccc4c3OCC4)SC2=S)CC1 ZINC000899261118 735467573 /nfs/dbraw/zinc/46/75/73/735467573.db2.gz ZYJGGUDNSQLEDI-RVDMUPIBSA-N 1 0 360.504 2.917 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000746978141 735521970 /nfs/dbraw/zinc/52/19/70/735521970.db2.gz LADZGFFYQRKZDC-LSDHHAIUSA-N 1 0 350.482 2.811 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000091959458 728463885 /nfs/dbraw/zinc/46/38/85/728463885.db2.gz KKPVVHVHXATZOS-UHFFFAOYSA-N 1 0 362.861 2.947 20 10 FFCDRO CS[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092010733 728464084 /nfs/dbraw/zinc/46/40/84/728464084.db2.gz RIWHSKXMWOAXCE-MRXNPFEDSA-N 1 0 361.555 2.976 20 10 FFCDRO CCN(CC)c1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1F ZINC000093394897 728475945 /nfs/dbraw/zinc/47/59/45/728475945.db2.gz XBMWZNDWAKVXKM-UHFFFAOYSA-N 1 0 351.510 2.951 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000113326048 728554068 /nfs/dbraw/zinc/55/40/68/728554068.db2.gz FCLWDCQMROMJEP-UHFFFAOYSA-N 1 0 363.255 2.983 20 10 FFCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129901735 728713920 /nfs/dbraw/zinc/71/39/20/728713920.db2.gz FRMDEPZMAKSPDT-AWEZNQCLSA-N 1 0 353.894 2.744 20 10 FFCDRO CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000134263801 728729304 /nfs/dbraw/zinc/72/93/04/728729304.db2.gz FSLQNYCSAUXYQY-FUHWJXTLSA-N 1 0 367.921 2.712 20 10 FFCDRO CC(C)[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000134263778 728729327 /nfs/dbraw/zinc/72/93/27/728729327.db2.gz FSLQNYCSAUXYQY-WMZOPIPTSA-N 1 0 367.921 2.712 20 10 FFCDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCSc1nccs1 ZINC000173561398 729050360 /nfs/dbraw/zinc/05/03/60/729050360.db2.gz LROPYERRVRRZBD-AWEZNQCLSA-N 1 0 357.545 2.535 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCC(=O)OC(C)(C)C)c1O ZINC000174433478 729071969 /nfs/dbraw/zinc/07/19/69/729071969.db2.gz GGYIFUAABWIEBL-UHFFFAOYSA-N 1 0 360.248 2.985 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)cc(OC)c1O ZINC000179888559 729198286 /nfs/dbraw/zinc/19/82/86/729198286.db2.gz MRIOJHXPMLQEQK-GFCCVEGCSA-N 1 0 358.232 2.691 20 10 FFCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCSc2nccs2)C1 ZINC000183288363 729300646 /nfs/dbraw/zinc/30/06/46/729300646.db2.gz ZEJHPCIUCJTULN-ZIAGYGMSSA-N 1 0 354.545 2.751 20 10 FFCDRO CC[C@H](C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)[NH+](CC)CC ZINC000753738356 736090507 /nfs/dbraw/zinc/09/05/07/736090507.db2.gz OZOMYINJADJWTK-QGZVFWFLSA-N 1 0 351.466 2.603 20 10 FFCDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000186421554 729364684 /nfs/dbraw/zinc/36/46/84/729364684.db2.gz ATOYJIIPBSGLBW-NSHDSACASA-N 1 0 352.406 2.690 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000779038195 738431310 /nfs/dbraw/zinc/43/13/10/738431310.db2.gz JXWCQEBZDOLICM-ZJUUUORDSA-N 1 0 350.278 2.547 20 10 FFCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759182 738444652 /nfs/dbraw/zinc/44/46/52/738444652.db2.gz GGGMTOXMVJQKNL-PKOBYXMFSA-N 1 0 350.478 2.938 20 10 FFCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)NCc1ccco1 ZINC000858133069 730417458 /nfs/dbraw/zinc/41/74/58/730417458.db2.gz JEJQTJQFDUAEQN-SNVBAGLBSA-N 1 0 353.216 2.542 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)[C@@]12CCCO2 ZINC000858156513 730418110 /nfs/dbraw/zinc/41/81/10/730418110.db2.gz JPHYLVQDMLKNJE-OAGGEKHMSA-N 1 0 356.260 2.971 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000858165738 730418475 /nfs/dbraw/zinc/41/84/75/730418475.db2.gz YWMKINGKXOXFMT-JGGQBBKZSA-N 1 0 367.287 2.891 20 10 FFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862244920 730681084 /nfs/dbraw/zinc/68/10/84/730681084.db2.gz HBVPWYYVVGVSJE-LBPRGKRZSA-N 1 0 354.244 2.930 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000862254095 730682620 /nfs/dbraw/zinc/68/26/20/730682620.db2.gz VSHLKNHCZDNEJP-POZUXBRTSA-N 1 0 353.457 2.714 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000862254094 730682717 /nfs/dbraw/zinc/68/27/17/730682717.db2.gz VSHLKNHCZDNEJP-LSBZLQRGSA-N 1 0 353.457 2.714 20 10 FFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862478758 730703992 /nfs/dbraw/zinc/70/39/92/730703992.db2.gz PKPXQOSCZDHKMN-WMLDXEAASA-N 1 0 350.459 2.815 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925349983 738497986 /nfs/dbraw/zinc/49/79/86/738497986.db2.gz CESHOBYOQOEWHN-AWEZNQCLSA-N 1 0 365.861 2.683 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866442459 731060982 /nfs/dbraw/zinc/06/09/82/731060982.db2.gz MIPFZDKYLVEDGM-OIBJUYFYSA-N 1 0 354.191 2.830 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866442458 731060986 /nfs/dbraw/zinc/06/09/86/731060986.db2.gz MIPFZDKYLVEDGM-GMSGAONNSA-N 1 0 354.191 2.830 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000866577331 731076180 /nfs/dbraw/zinc/07/61/80/731076180.db2.gz FVYNSAIAOIWZAO-HNNXBMFYSA-N 1 0 362.495 2.810 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CCOCC1 ZINC000866763910 731096842 /nfs/dbraw/zinc/09/68/42/731096842.db2.gz JMAUPBVIZKUZGK-OAHLLOKOSA-N 1 0 370.852 2.645 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@@H]3CC3(F)F)CC2)cc1 ZINC000876900313 732294540 /nfs/dbraw/zinc/29/45/40/732294540.db2.gz HNGHYEQDEUONIV-QAPCUYQASA-N 1 0 353.457 2.841 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(CS(=O)(=O)NC(C)C)cc1 ZINC000877016672 732312858 /nfs/dbraw/zinc/31/28/58/732312858.db2.gz BMBVFLGKFPQKSM-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CSC(C)(C)CC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000877030180 732315357 /nfs/dbraw/zinc/31/53/57/732315357.db2.gz AEIDFQSJBJTGMO-UHFFFAOYSA-N 1 0 356.557 2.543 20 10 FFCDRO CCn1ncnc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071145 732321444 /nfs/dbraw/zinc/32/14/44/732321444.db2.gz FNNGCRRMKXKUFT-ZDUSSCGKSA-N 1 0 351.401 2.658 20 10 FFCDRO CO[C@@]1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000877071956 732321678 /nfs/dbraw/zinc/32/16/78/732321678.db2.gz VUJKRSNOQSRDFJ-KBXCAEBGSA-N 1 0 356.413 2.652 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000877680238 732412350 /nfs/dbraw/zinc/41/23/50/732412350.db2.gz UJAISGKAEIMXCE-UKRRQHHQSA-N 1 0 350.459 2.993 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(F)(F)F)CC3)cc2)CC1 ZINC000877823256 732442199 /nfs/dbraw/zinc/44/21/99/732442199.db2.gz WSTBFPQWSDAIIE-KRWDZBQOSA-N 1 0 358.404 2.801 20 10 FFCDRO C[C@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)c1ccccc1O ZINC000879650576 732742498 /nfs/dbraw/zinc/74/24/98/732742498.db2.gz ICKIOGLFLFLWIM-IYJAJMOOSA-N 1 0 350.459 2.803 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1O ZINC000879651667 732742592 /nfs/dbraw/zinc/74/25/92/732742592.db2.gz FZCKPWQTGOJHOC-LBPRGKRZSA-N 1 0 350.365 2.961 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1ccc(Br)cc1O ZINC000927156837 738698134 /nfs/dbraw/zinc/69/81/34/738698134.db2.gz RYQDZBJYWCNNSX-NZVBXONLSA-N 1 0 356.260 2.735 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3cccs3)cc2)CC1 ZINC000883068149 733327984 /nfs/dbraw/zinc/32/79/84/733327984.db2.gz JRTSEUZWIUGPOE-UHFFFAOYSA-N 1 0 358.511 2.542 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000883173137 733346047 /nfs/dbraw/zinc/34/60/47/733346047.db2.gz CSNMHEVLJPKXBY-PKOBYXMFSA-N 1 0 350.528 2.771 20 10 FFCDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Br)ccc3O)O2)CO1 ZINC000886334629 733775121 /nfs/dbraw/zinc/77/51/21/733775121.db2.gz ZCMDSERGCHQWAY-DJSGYFEHSA-N 1 0 356.260 2.971 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000886668169 733814489 /nfs/dbraw/zinc/81/44/89/733814489.db2.gz OCXMJGZGUSQNHN-ZMSDIMECSA-N 1 0 368.905 2.757 20 10 FFCDRO C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665792 734206086 /nfs/dbraw/zinc/20/60/86/734206086.db2.gz XWTZRDRLFGPXTI-ZDUSSCGKSA-N 1 0 358.408 2.579 20 10 FFCDRO [NH3+][C@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000717152409 734374526 /nfs/dbraw/zinc/37/45/26/734374526.db2.gz RBWATYSBIXWCBI-MNOVXSKESA-N 1 0 353.182 2.866 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000717152415 734374666 /nfs/dbraw/zinc/37/46/66/734374666.db2.gz RBWATYSBIXWCBI-WDEREUQCSA-N 1 0 353.182 2.866 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)c2nccs2)[NH+](C)C)cc1 ZINC000891247240 734404182 /nfs/dbraw/zinc/40/41/82/734404182.db2.gz RWOUORYIUZZULP-MRXNPFEDSA-N 1 0 360.527 2.906 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(O)c1OC ZINC000893318290 734685509 /nfs/dbraw/zinc/68/55/09/734685509.db2.gz FOKILUYEKZKNIN-HNNXBMFYSA-N 1 0 351.443 2.965 20 10 FFCDRO CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC000894459663 734861918 /nfs/dbraw/zinc/86/19/18/734861918.db2.gz WIOVUMIWTMCVCO-UHFFFAOYSA-N 1 0 353.457 2.520 20 10 FFCDRO COc1ccc(C[N@H+](C)CCn2cc(Br)cn2)c(O)c1OC ZINC000894529186 734874742 /nfs/dbraw/zinc/87/47/42/734874742.db2.gz ZFTDSAUNSLFNNC-UHFFFAOYSA-N 1 0 370.247 2.500 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(Br)nn3)cc2)CC1 ZINC000895144617 734968295 /nfs/dbraw/zinc/96/82/95/734968295.db2.gz MTRXFRNWHSOUDE-UHFFFAOYSA-N 1 0 362.275 2.603 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000895150592 734969116 /nfs/dbraw/zinc/96/91/16/734969116.db2.gz BUOVHCFIIPVKQE-ROUUACIJSA-N 1 0 352.450 2.697 20 10 FFCDRO C[C@H]1C[NH+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000895568428 735025060 /nfs/dbraw/zinc/02/50/60/735025060.db2.gz UWOLDAXEXHEIST-RYUDHWBXSA-N 1 0 364.467 2.542 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000895923784 735074060 /nfs/dbraw/zinc/07/40/60/735074060.db2.gz XZTKCEMFRLOMBM-ZBFHGGJFSA-N 1 0 354.445 2.700 20 10 FFCDRO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CN1CCOc1ccccc1 ZINC000742373121 735234770 /nfs/dbraw/zinc/23/47/70/735234770.db2.gz OPNIEWOYMPHIGA-CQSZACIVSA-N 1 0 360.841 2.815 20 10 FFCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000903227328 736059965 /nfs/dbraw/zinc/05/99/65/736059965.db2.gz LYSZOSXAVLNQTO-INIZCTEOSA-N 1 0 367.921 2.550 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN4CCSC[C@H]34)CC2)cc1 ZINC000903270923 736069935 /nfs/dbraw/zinc/06/99/35/736069935.db2.gz IYDRXSHOZNOTHP-WOJBJXKFSA-N 1 0 361.555 2.833 20 10 FFCDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903273527 736070694 /nfs/dbraw/zinc/07/06/94/736070694.db2.gz AISUOQZFGNLWMO-AWEZNQCLSA-N 1 0 350.413 2.679 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC3(CC2)OCCO3)c2c1c(F)ccc2O ZINC000903373385 736084660 /nfs/dbraw/zinc/08/46/60/736084660.db2.gz VEWHRGKFYRNXCY-TZMCWYRMSA-N 1 0 351.418 2.717 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903893088 736184105 /nfs/dbraw/zinc/18/41/05/736184105.db2.gz QDHRDYRCNDMVCB-SFESLNEESA-N 1 0 352.862 2.551 20 10 FFCDRO CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755295253 736247567 /nfs/dbraw/zinc/24/75/67/736247567.db2.gz XAOONWLUBXKXOK-DLBZAZTESA-N 1 0 365.543 2.863 20 10 FFCDRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)ccc1O ZINC000756365647 736325265 /nfs/dbraw/zinc/32/52/65/736325265.db2.gz YVKQSSBDIZRZGZ-GFCCVEGCSA-N 1 0 365.861 2.951 20 10 FFCDRO CCC[C@H](O)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982987 736779359 /nfs/dbraw/zinc/77/93/59/736779359.db2.gz OTMMUYZECJPHDD-HOTGVXAUSA-N 1 0 354.878 2.677 20 10 FFCDRO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762720868 736861508 /nfs/dbraw/zinc/86/15/08/736861508.db2.gz DTMUJYSXOVNBGF-LJQANCHMSA-N 1 0 361.873 2.544 20 10 FFCDRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000763558495 736947696 /nfs/dbraw/zinc/94/76/96/736947696.db2.gz JNFWYXCQVSLDGR-XHDPSFHLSA-N 1 0 358.276 2.983 20 10 FFCDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000764906297 737061246 /nfs/dbraw/zinc/06/12/46/737061246.db2.gz ZMAUETNBOBISEO-QGZVFWFLSA-N 1 0 367.559 2.999 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000765406956 737116041 /nfs/dbraw/zinc/11/60/41/737116041.db2.gz BPNUEXPBPAQJOH-MRXNPFEDSA-N 1 0 361.511 2.772 20 10 FFCDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765787293 737158516 /nfs/dbraw/zinc/15/85/16/737158516.db2.gz DAWCXIVUHCGJOZ-CVEARBPZSA-N 1 0 367.921 2.548 20 10 FFCDRO O=C(C[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915980 737476791 /nfs/dbraw/zinc/47/67/91/737476791.db2.gz OOMMOSTVMQWMNO-CVEARBPZSA-N 1 0 352.862 2.695 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)CCc2noc(C)n2)c1O ZINC000769246323 737510350 /nfs/dbraw/zinc/51/03/50/737510350.db2.gz AUMAHQYOAPURIU-UHFFFAOYSA-N 1 0 356.220 2.529 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000769946439 737586168 /nfs/dbraw/zinc/58/61/68/737586168.db2.gz WTKLAZIIKPUQLT-AWEZNQCLSA-N 1 0 370.335 2.579 20 10 FFCDRO CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)COC1 ZINC000771056689 737689751 /nfs/dbraw/zinc/68/97/51/737689751.db2.gz GNVXMFDOWZBCHA-OAHLLOKOSA-N 1 0 352.862 2.553 20 10 FFCDRO O=C(CCOCC1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771056695 737689900 /nfs/dbraw/zinc/68/99/00/737689900.db2.gz GOBYBXMEFOTAPN-QGZVFWFLSA-N 1 0 366.889 2.943 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000772797641 737843918 /nfs/dbraw/zinc/84/39/18/737843918.db2.gz HTBLAUDOICLYNM-GFCCVEGCSA-N 1 0 361.467 2.792 20 10 FFCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773044702 737865564 /nfs/dbraw/zinc/86/55/64/737865564.db2.gz REICTUVFLGACTN-GJDIJTJZSA-N 1 0 358.935 2.984 20 10 FFCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000773272797 737887219 /nfs/dbraw/zinc/88/72/19/737887219.db2.gz IXYYWZRIUVWNGX-CQSZACIVSA-N 1 0 351.466 2.650 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000774188478 737967744 /nfs/dbraw/zinc/96/77/44/737967744.db2.gz SKZYPGWTVQDDGN-GOSISDBHSA-N 1 0 360.479 2.682 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1cc(Br)ccc1O ZINC000775503132 738097921 /nfs/dbraw/zinc/09/79/21/738097921.db2.gz BYSHFGOWZBXBBK-DZGCQCFKSA-N 1 0 357.292 2.916 20 10 FFCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000775619459 738107000 /nfs/dbraw/zinc/10/70/00/738107000.db2.gz PYPDVNGWJZJMCA-CYBMUJFWSA-N 1 0 353.894 2.599 20 10 FFCDRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775831796 738129983 /nfs/dbraw/zinc/12/99/83/738129983.db2.gz UTKGIIWJXZJVKN-OAHLLOKOSA-N 1 0 362.495 2.886 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](C(F)(F)F)O3)cc2)CC1 ZINC000922455582 738148270 /nfs/dbraw/zinc/14/82/70/738148270.db2.gz OXZZVRSCHLNTRB-IAGOWNOFSA-N 1 0 358.404 2.847 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@]2(OC)CCS(=O)(=O)C2)cc1 ZINC000922616099 738174068 /nfs/dbraw/zinc/17/40/68/738174068.db2.gz SEUCKSNGDPPEKC-IBGZPJMESA-N 1 0 368.543 2.606 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c1O ZINC000786947064 739091849 /nfs/dbraw/zinc/09/18/49/739091849.db2.gz XUZGVMMKQDWBLL-SNVBAGLBSA-N 1 0 362.289 2.548 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1C(C)C ZINC000795655247 740049420 /nfs/dbraw/zinc/04/94/20/740049420.db2.gz YCLDXDMFIQVEQX-INIZCTEOSA-N 1 0 354.516 2.680 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)S(C)(=O)=O ZINC000796341799 740134199 /nfs/dbraw/zinc/13/41/99/740134199.db2.gz YUNVBCONNGXJJN-MRXNPFEDSA-N 1 0 358.507 2.772 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cccc(OC)c2O)s1 ZINC000796530421 740150032 /nfs/dbraw/zinc/15/00/32/740150032.db2.gz KFYIKPXYXSTPTB-GHMZBOCLSA-N 1 0 364.471 2.568 20 10 FFCDRO COc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000797879814 740283704 /nfs/dbraw/zinc/28/37/04/740283704.db2.gz ONACBMFNEKQPOW-UHFFFAOYSA-N 1 0 366.458 2.553 20 10 FFCDRO Cc1[nH+]ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1Cl ZINC000798389596 740327896 /nfs/dbraw/zinc/32/78/96/740327896.db2.gz ZSFRXWPBPJOWJZ-HNNXBMFYSA-N 1 0 358.873 2.779 20 10 FFCDRO O=C(NCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000798956474 740377250 /nfs/dbraw/zinc/37/72/50/740377250.db2.gz ZKDGTFMSCAZXAQ-UHFFFAOYSA-N 1 0 350.768 2.936 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000809786071 741343655 /nfs/dbraw/zinc/34/36/55/741343655.db2.gz OAVXTSLXUINNEC-HNNXBMFYSA-N 1 0 354.516 2.583 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815563654 741945738 /nfs/dbraw/zinc/94/57/38/741945738.db2.gz JXGPDVNCAQOSSM-HNNXBMFYSA-N 1 0 362.495 2.909 20 10 FFCDRO Oc1c(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)ccc2ccccc21 ZINC000816608517 742046800 /nfs/dbraw/zinc/04/68/00/742046800.db2.gz BICWVRZPSVYAEC-INIZCTEOSA-N 1 0 354.372 2.898 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000824502271 743093926 /nfs/dbraw/zinc/09/39/26/743093926.db2.gz ZDLVKALAUCJPPB-HNNXBMFYSA-N 1 0 354.219 2.987 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000824677163 743127118 /nfs/dbraw/zinc/12/71/18/743127118.db2.gz AKWXIELFUCCMRW-DGCLKSJQSA-N 1 0 368.421 2.780 20 10 FFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000824817593 743154823 /nfs/dbraw/zinc/15/48/23/743154823.db2.gz CBFSNJCTDGGOTA-CYBMUJFWSA-N 1 0 354.244 2.930 20 10 FFCDRO COc1cc(CN2CC[NH+](C(C)(C)CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000824824240 743155780 /nfs/dbraw/zinc/15/57/80/743155780.db2.gz IKMCZMGFSZPUPJ-UHFFFAOYSA-N 1 0 350.503 2.587 20 10 FFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000824855861 743165297 /nfs/dbraw/zinc/16/52/97/743165297.db2.gz QXQFEEQXIQFLEX-HZPDHXFCSA-N 1 0 370.287 2.907 20 10 FFCDRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825089980 743208245 /nfs/dbraw/zinc/20/82/45/743208245.db2.gz LXLFXOSESSYMGW-INIZCTEOSA-N 1 0 352.228 2.987 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1 ZINC000825132250 743216493 /nfs/dbraw/zinc/21/64/93/743216493.db2.gz YYTRRGVXOYBWNK-UHFFFAOYSA-N 1 0 368.886 2.693 20 10 FFCDRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1O ZINC000825138445 743217307 /nfs/dbraw/zinc/21/73/07/743217307.db2.gz MDIPSQHOXLOJLU-AWEZNQCLSA-N 1 0 366.259 2.511 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000827785719 744977116 /nfs/dbraw/zinc/97/71/16/744977116.db2.gz DNFYHYBJNHBPAH-KRWDZBQOSA-N 1 0 357.420 2.592 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(C[NH3+])c1 ZINC000830798609 745432158 /nfs/dbraw/zinc/43/21/58/745432158.db2.gz QKMUHPYIRDIHAV-UHFFFAOYSA-N 1 0 364.243 2.671 20 10 FFCDRO Cc1cc(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000832293343 745673697 /nfs/dbraw/zinc/67/36/97/745673697.db2.gz VHAIHNBLKAMJRQ-GOSISDBHSA-N 1 0 361.873 2.909 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834850445 745913804 /nfs/dbraw/zinc/91/38/04/745913804.db2.gz MOIOWTSTQJPMJL-OCCSQVGLSA-N 1 0 357.292 2.652 20 10 FFCDRO CCN(C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1)S(C)(=O)=O ZINC000835028147 745932690 /nfs/dbraw/zinc/93/26/90/745932690.db2.gz KBPLDXLGYIVVHD-SREVYHEPSA-N 1 0 365.543 2.512 20 10 FFCDRO O=C(NCCCSc1nccs1)NC1CC[NH+](C2CCC2)CC1 ZINC000838512969 746655605 /nfs/dbraw/zinc/65/56/05/746655605.db2.gz BREGXENUANELQC-UHFFFAOYSA-N 1 0 354.545 2.941 20 10 FFCDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000838769626 746709624 /nfs/dbraw/zinc/70/96/24/746709624.db2.gz HXJVXNJSZOJBER-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838984301 746750914 /nfs/dbraw/zinc/75/09/14/746750914.db2.gz OGSMHIBYVJADCJ-HNNXBMFYSA-N 1 0 371.319 2.926 20 10 FFCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839073549 746767857 /nfs/dbraw/zinc/76/78/57/746767857.db2.gz NNBOQSIFHRSZEZ-HNNXBMFYSA-N 1 0 371.319 2.926 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841744262 747446657 /nfs/dbraw/zinc/44/66/57/747446657.db2.gz GOPGIIKMMMIOFG-LBPRGKRZSA-N 1 0 368.886 2.946 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841986482 747497368 /nfs/dbraw/zinc/49/73/68/747497368.db2.gz NNKDNTCNNMFJFQ-SMDDNHRTSA-N 1 0 370.291 2.827 20 10 FFCDRO CC[C@@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843484969 747843304 /nfs/dbraw/zinc/84/33/04/747843304.db2.gz XKGDEVSMGUGMJD-CYBMUJFWSA-N 1 0 365.275 2.719 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000844911580 748134661 /nfs/dbraw/zinc/13/46/61/748134661.db2.gz PGWNGRNZMQEVIB-FMKPAKJESA-N 1 0 369.849 2.815 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000845935473 748356626 /nfs/dbraw/zinc/35/66/26/748356626.db2.gz CQXTUVQNNQEORK-UHFFFAOYSA-N 1 0 358.507 2.774 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1O ZINC000846139098 748414651 /nfs/dbraw/zinc/41/46/51/748414651.db2.gz PYUVCPFNBCARKV-LBPRGKRZSA-N 1 0 350.440 2.623 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1O ZINC000848513885 748947499 /nfs/dbraw/zinc/94/74/99/748947499.db2.gz HZBOPHAGZXQPPA-SNVBAGLBSA-N 1 0 359.264 2.586 20 10 FFCDRO CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531715 748951600 /nfs/dbraw/zinc/95/16/00/748951600.db2.gz UMTVYVGVAXVQLR-UGZDLDLSSA-N 1 0 350.278 2.583 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)ccc1O ZINC000848562474 748961443 /nfs/dbraw/zinc/96/14/43/748961443.db2.gz DQFLJXXHPHCEHN-AAEUAGOBSA-N 1 0 365.275 2.881 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000848572848 748963651 /nfs/dbraw/zinc/96/36/51/748963651.db2.gz WLQBKBXYNOCZSK-JOYOIKCWSA-N 1 0 355.232 2.789 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1F ZINC000850364726 749353540 /nfs/dbraw/zinc/35/35/40/749353540.db2.gz QKMYNXSENXPGPL-UHFFFAOYSA-N 1 0 370.412 2.739 20 10 FFCDRO O=C1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)N1 ZINC000850389127 749357614 /nfs/dbraw/zinc/35/76/14/749357614.db2.gz UANJAHMCTRXYAZ-AWEZNQCLSA-N 1 0 366.303 2.808 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCc2cncc(C)n2)c1O ZINC000850390310 749357634 /nfs/dbraw/zinc/35/76/34/749357634.db2.gz DVZHHUWERSNUFF-UHFFFAOYSA-N 1 0 352.232 2.594 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850520800 749381240 /nfs/dbraw/zinc/38/12/40/749381240.db2.gz YLURBAQFJIZLDQ-WCBMZHEXSA-N 1 0 355.353 2.646 20 10 FFCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000851660293 749643199 /nfs/dbraw/zinc/64/31/99/749643199.db2.gz JTVKSTIFVZBVTQ-KBPBESRZSA-N 1 0 352.910 2.983 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)CSC)cc2F)CC1 ZINC000066773888 845481689 /nfs/dbraw/zinc/48/16/89/845481689.db2.gz RZVQFVOLVUNTCC-AWEZNQCLSA-N 1 0 353.507 2.583 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1C ZINC000385484097 845827991 /nfs/dbraw/zinc/82/79/91/845827991.db2.gz OQZJUOZZXOBEKB-MRXNPFEDSA-N 1 0 350.459 2.729 20 10 FFCDRO COc1ccc(C[NH2+]CCc2nnc(-c3ccccc3)o2)c(O)c1OC ZINC000893200180 970936823 /nfs/dbraw/zinc/93/68/23/970936823.db2.gz QMZGHHWKGNSXLS-UHFFFAOYSA-N 1 0 355.394 2.792 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000840301234 971020114 /nfs/dbraw/zinc/02/01/14/971020114.db2.gz DKULRSMRIOQHEB-APWZRJJASA-N 1 0 358.530 2.776 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837079 1013058790 /nfs/dbraw/zinc/05/87/90/1013058790.db2.gz BGCMGYFDMSIYTI-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO O=C1CO[C@@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)CN1C1CCCC1 ZINC001275837518 1013064673 /nfs/dbraw/zinc/06/46/73/1013064673.db2.gz JPIPPUYOUVHUGF-LJQANCHMSA-N 1 0 364.873 2.792 20 10 FFCDRO C[NH+](C)CC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000185683230 971308317 /nfs/dbraw/zinc/30/83/17/971308317.db2.gz QEZABFZMQWZSGJ-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000186076051 971337082 /nfs/dbraw/zinc/33/70/82/971337082.db2.gz CXCKZXAFJCUUGK-HOTGVXAUSA-N 1 0 370.449 2.731 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000840479051 971357752 /nfs/dbraw/zinc/35/77/52/971357752.db2.gz LJMJSQFWRJRHIS-QGZVFWFLSA-N 1 0 360.546 2.975 20 10 FFCDRO Cn1ccc(C2CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)n1 ZINC000896496214 971521407 /nfs/dbraw/zinc/52/14/07/971521407.db2.gz RSXCDBGAWJREQJ-UHFFFAOYSA-N 1 0 358.461 2.775 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000783219899 971622040 /nfs/dbraw/zinc/62/20/40/971622040.db2.gz BJIYNGDOSWDGBF-QUCCMNQESA-N 1 0 359.514 2.683 20 10 FFCDRO C[N@@H+]1CCCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888590337 1013111547 /nfs/dbraw/zinc/11/15/47/1013111547.db2.gz ZCRDFAIIIALPGG-UHFFFAOYSA-N 1 0 350.426 2.566 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896857543 971900902 /nfs/dbraw/zinc/90/09/02/971900902.db2.gz PYAYMUSWHNSNNG-QFUCXCTJSA-N 1 0 355.434 2.865 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1C ZINC000969413986 959496142 /nfs/dbraw/zinc/49/61/42/959496142.db2.gz MGYJTOQGIWHBOG-GGPKGHCWSA-N 1 0 358.482 2.509 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@H](O)C2)C1 ZINC000683501866 960793629 /nfs/dbraw/zinc/79/36/29/960793629.db2.gz ZVUUZNHDGXQEHJ-SJORKVTESA-N 1 0 369.509 2.685 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275952037 1013220801 /nfs/dbraw/zinc/22/08/01/1013220801.db2.gz RQNLMYTWOFHDQY-OAQYLSRUSA-N 1 0 359.514 2.664 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000773395316 1013277456 /nfs/dbraw/zinc/27/74/56/1013277456.db2.gz FHGXEHZXGOCWOF-RYRKJORJSA-N 1 0 352.434 2.647 20 10 FFCDRO Cc1noc(C2CC2)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246713 962564412 /nfs/dbraw/zinc/56/44/12/962564412.db2.gz CGWFKIMIMCAPQB-QGZVFWFLSA-N 1 0 356.470 2.959 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3nccnc32)[NH+](C)C)cc1 ZINC000891247970 962580872 /nfs/dbraw/zinc/58/08/72/962580872.db2.gz JBHYMVRPFDMELY-IBGZPJMESA-N 1 0 363.465 2.729 20 10 FFCDRO Cc1ccc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000891249725 962587035 /nfs/dbraw/zinc/58/70/35/962587035.db2.gz VYXSERWNMGMQMV-ZTVSIKPCSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn(C(C)(C)C)c2)[NH+](C)C)cc1 ZINC000891256495 962620321 /nfs/dbraw/zinc/62/03/21/962620321.db2.gz YTXFJXKZIZCXSV-SFHVURJKSA-N 1 0 357.502 2.737 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107975 963173550 /nfs/dbraw/zinc/17/35/50/963173550.db2.gz QRUAYNHVBBUMTD-IBGZPJMESA-N 1 0 370.440 2.579 20 10 FFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000873190522 1013415228 /nfs/dbraw/zinc/41/52/28/1013415228.db2.gz AFZOXFCTKPGSKS-OAQYLSRUSA-N 1 0 357.450 2.722 20 10 FFCDRO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269417869 964137538 /nfs/dbraw/zinc/13/75/38/964137538.db2.gz RTZPZOOYBLWDJY-GVDBMIGSSA-N 1 0 356.470 2.515 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(CCN(CC(F)F)C4=O)C3)ccc21 ZINC001276112054 1013474255 /nfs/dbraw/zinc/47/42/55/1013474255.db2.gz MWTJBEUFWWJREB-HXUWFJFHSA-N 1 0 363.452 2.759 20 10 FFCDRO C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000101658152 965328528 /nfs/dbraw/zinc/32/85/28/965328528.db2.gz RJWBPNRHUZQMHF-XSLAGTTESA-N 1 0 359.514 2.962 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccccn1 ZINC000092011066 965357780 /nfs/dbraw/zinc/35/77/80/965357780.db2.gz QDMMKAWABUBIJP-UHFFFAOYSA-N 1 0 350.466 2.544 20 10 FFCDRO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000933974244 965500427 /nfs/dbraw/zinc/50/04/27/965500427.db2.gz RXZPSFDKNQLKQO-HXUWFJFHSA-N 1 0 372.538 2.937 20 10 FFCDRO Cc1nc(CN2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)oc1C ZINC000728560046 967374993 /nfs/dbraw/zinc/37/49/93/967374993.db2.gz KEYRNSULOKJHNR-UHFFFAOYSA-N 1 0 352.438 2.863 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000983927905 967490331 /nfs/dbraw/zinc/49/03/31/967490331.db2.gz SAADERXEUAJSLN-MLYOOKFZSA-N 1 0 360.498 2.803 20 10 FFCDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000897066537 973216979 /nfs/dbraw/zinc/21/69/79/973216979.db2.gz BPTBUSCXPYRNGG-IBGZPJMESA-N 1 0 358.438 2.504 20 10 FFCDRO C[C@@H](Cc1ccncc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893451501 974118696 /nfs/dbraw/zinc/11/86/96/974118696.db2.gz HSUGXZLJXRQVBJ-OXJNMPFZSA-N 1 0 369.513 2.681 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001116040084 1032085182 /nfs/dbraw/zinc/08/51/82/1032085182.db2.gz LPDHUQAGQWLMOP-UXHICEINSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000178471934 975029622 /nfs/dbraw/zinc/02/96/22/975029622.db2.gz VIBCNLMOKNADQV-MSOLQXFVSA-N 1 0 374.529 2.647 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)N(C)C)cc1 ZINC000898448221 976460369 /nfs/dbraw/zinc/46/03/69/976460369.db2.gz QVPBUQOKCKXAKO-ICSRJNTNSA-N 1 0 361.530 2.673 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450116 976460436 /nfs/dbraw/zinc/46/04/36/976460436.db2.gz NTEOWMYVDRMXNS-IBGZPJMESA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)N(C)C)cc1 ZINC000898448229 976460535 /nfs/dbraw/zinc/46/05/35/976460535.db2.gz QWWMGVJWHYMZAI-MRXNPFEDSA-N 1 0 369.435 2.897 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc3[nH]c(=O)oc32)N(C)C)cc1 ZINC000898447252 976468895 /nfs/dbraw/zinc/46/88/95/976468895.db2.gz IDBICCWOEZFBJZ-GOSISDBHSA-N 1 0 354.454 2.992 20 10 FFCDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876792353 1014393816 /nfs/dbraw/zinc/39/38/16/1014393816.db2.gz SYMZNZZCCMYYQZ-HXUWFJFHSA-N 1 0 354.498 2.891 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000893750577 977536610 /nfs/dbraw/zinc/53/66/10/977536610.db2.gz UZYUYQXPBUHWRJ-MJGOQNOKSA-N 1 0 374.529 2.756 20 10 FFCDRO OCCCCOc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000876963629 1014435139 /nfs/dbraw/zinc/43/51/39/1014435139.db2.gz GGYRIIAJBJJCCV-UHFFFAOYSA-N 1 0 370.493 2.964 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCC[C@H]1C ZINC000876997685 1014444657 /nfs/dbraw/zinc/44/46/57/1014444657.db2.gz DRMGQMVSZVTXLU-IAGOWNOFSA-N 1 0 359.514 2.527 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000255955106 978096501 /nfs/dbraw/zinc/09/65/01/978096501.db2.gz NWRQZVVEVQPFIN-XLIONFOSSA-N 1 0 359.514 2.854 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCc2ccccc21 ZINC000877116987 1014478904 /nfs/dbraw/zinc/47/89/04/1014478904.db2.gz FLWORUUIBWAOEA-QFIPXVFZSA-N 1 0 352.478 2.571 20 10 FFCDRO C[C@H]1C(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000021995213 979109520 /nfs/dbraw/zinc/10/95/20/979109520.db2.gz TZOXZQJRKWTROQ-INIZCTEOSA-N 1 0 366.465 2.999 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@](C)(O)c1ccccc1 ZINC000877598738 1014639935 /nfs/dbraw/zinc/63/99/35/1014639935.db2.gz KISVAWQYNDVGDX-QFIPXVFZSA-N 1 0 354.494 2.987 20 10 FFCDRO [NH3+]Cc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000904666664 980324389 /nfs/dbraw/zinc/32/43/89/980324389.db2.gz UAAFKHCMRWJPTR-UHFFFAOYSA-N 1 0 368.481 2.676 20 10 FFCDRO C[NH2+]C[C@@H]1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000653049301 980362262 /nfs/dbraw/zinc/36/22/62/980362262.db2.gz BIWXTLQMFKFPKA-HNNXBMFYSA-N 1 0 355.482 2.597 20 10 FFCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877653988 1014662439 /nfs/dbraw/zinc/66/24/39/1014662439.db2.gz JBTZOKIJHOKWNR-UHFFFAOYSA-N 1 0 367.493 2.920 20 10 FFCDRO CCOc1cccc(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1O ZINC000877687289 1014680457 /nfs/dbraw/zinc/68/04/57/1014680457.db2.gz HCNPPMRFXZJTJX-ZWKOTPCHSA-N 1 0 369.465 2.795 20 10 FFCDRO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000877713858 1014695552 /nfs/dbraw/zinc/69/55/52/1014695552.db2.gz GNRHRTFBTDHCNZ-FQEVSTJZSA-N 1 0 357.454 2.571 20 10 FFCDRO Nc1ccc(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000841665415 981091974 /nfs/dbraw/zinc/09/19/74/981091974.db2.gz NSYXOTHQHCEMFR-UHFFFAOYSA-N 1 0 352.482 2.907 20 10 FFCDRO C[C@@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000907493788 981257497 /nfs/dbraw/zinc/25/74/97/981257497.db2.gz SSKZVMMUVSYZRJ-PPDQVPDSSA-N 1 0 359.514 2.821 20 10 FFCDRO COC(=O)Cc1ccnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000897523323 981431069 /nfs/dbraw/zinc/43/10/69/981431069.db2.gz UIWVQPJSXWAEIB-GOSISDBHSA-N 1 0 356.470 2.578 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3NC(C)(C)C(=O)N3CC3CCCC3)cc2)CC1 ZINC000877857574 1014750749 /nfs/dbraw/zinc/75/07/49/1014750749.db2.gz VFWPCUGMWXNZQR-FQEVSTJZSA-N 1 0 370.541 2.838 20 10 FFCDRO COc1ccc(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c(O)c1OC ZINC000898165817 982631990 /nfs/dbraw/zinc/63/19/90/982631990.db2.gz NVLPYEXXFGWFNW-HNNXBMFYSA-N 1 0 355.438 2.789 20 10 FFCDRO C[C@H]([NH3+])C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000911632850 983860433 /nfs/dbraw/zinc/86/04/33/983860433.db2.gz LDPOSQRUBNXLLJ-KRWDZBQOSA-N 1 0 359.514 2.779 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000911667237 983864014 /nfs/dbraw/zinc/86/40/14/983864014.db2.gz OZUOMOCDJYRQSI-XHSDSOJGSA-N 1 0 373.419 2.759 20 10 FFCDRO C[C@H]1CN(C(=O)CN(Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000072952739 983953321 /nfs/dbraw/zinc/95/33/21/983953321.db2.gz GXJMGJRYMVGRME-HOTGVXAUSA-N 1 0 358.438 2.623 20 10 FFCDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000156341425 984321033 /nfs/dbraw/zinc/32/10/33/984321033.db2.gz TUVUJRJEUHNJEK-UHFFFAOYSA-N 1 0 372.509 2.922 20 10 FFCDRO CN(Cc1cnc(N2CCCC2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222049 984933902 /nfs/dbraw/zinc/93/39/02/984933902.db2.gz PWPCKDFLVQDVKL-UHFFFAOYSA-N 1 0 355.486 2.654 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(=O)NCc3ccccc3)CC2)cc1 ZINC000765380962 985054689 /nfs/dbraw/zinc/05/46/89/985054689.db2.gz IIGNSDIEKBRZBE-UHFFFAOYSA-N 1 0 353.466 2.570 20 10 FFCDRO COc1ccc([C@H]2C[C@@H]([NH2+]CC(=O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168606366 985788158 /nfs/dbraw/zinc/78/81/58/985788158.db2.gz GEFGPVRHDGLTMP-MGPUTAFESA-N 1 0 357.406 2.799 20 10 FFCDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000186325565 985943682 /nfs/dbraw/zinc/94/36/82/985943682.db2.gz HEVQQYIZZCXJGV-PMACEKPBSA-N 1 0 361.530 2.894 20 10 FFCDRO CC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000174621245 986304478 /nfs/dbraw/zinc/30/44/78/986304478.db2.gz NIXHSSYXMQJCBA-INIZCTEOSA-N 1 0 367.440 2.857 20 10 FFCDRO Cc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000878909921 1015279011 /nfs/dbraw/zinc/27/90/11/1015279011.db2.gz YZVIZRCBWMBEGN-UHFFFAOYSA-N 1 0 353.470 2.772 20 10 FFCDRO CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001078474992 987148822 /nfs/dbraw/zinc/14/88/22/987148822.db2.gz AVPQROKAAZCQPG-CEXWTWQISA-N 1 0 360.498 2.757 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)cc2)CC1 ZINC000922338166 988448246 /nfs/dbraw/zinc/44/82/46/988448246.db2.gz IEAPOFVTJLYYNO-XUVXKRRUSA-N 1 0 371.525 2.683 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000762795834 988633241 /nfs/dbraw/zinc/63/32/41/988633241.db2.gz ZDBRQTADAMGDAQ-SFHVURJKSA-N 1 0 371.485 2.748 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCCC[C@H]1C(C)C)cc2=O ZINC000763052023 989003351 /nfs/dbraw/zinc/00/33/51/989003351.db2.gz OWZNPRMURFUVGV-HOCLYGCPSA-N 1 0 360.458 2.916 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000879376661 1015504288 /nfs/dbraw/zinc/50/42/88/1015504288.db2.gz IAQCLHFHHRCQHI-CYBMUJFWSA-N 1 0 368.437 2.566 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154582966 990308078 /nfs/dbraw/zinc/30/80/78/990308078.db2.gz JZWBPXDGUPXKNM-DOTOQJQBSA-N 1 0 352.438 2.807 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](CC3CC3)[C@@H](C(N)=O)C3CC3)cc2)CC1 ZINC000879488254 1015556555 /nfs/dbraw/zinc/55/65/55/1015556555.db2.gz QBUWMQVJCXRTDL-OAQYLSRUSA-N 1 0 371.525 2.778 20 10 FFCDRO c1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c2c(c1)OCCO2 ZINC000922947539 990761553 /nfs/dbraw/zinc/76/15/53/990761553.db2.gz RAAJFAIMIJJBSN-UHFFFAOYSA-N 1 0 354.450 2.627 20 10 FFCDRO O=C(CN1CCNCC[NH2+]CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000923462092 991161175 /nfs/dbraw/zinc/16/11/75/991161175.db2.gz CLPNBQBWRJYHJD-UHFFFAOYSA-N 1 0 366.469 2.535 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000067976034 991295564 /nfs/dbraw/zinc/29/55/64/991295564.db2.gz BPOILGLWDADLON-SFHVURJKSA-N 1 0 372.465 2.791 20 10 FFCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cccc(I)c2O)C1 ZINC001237784245 992717770 /nfs/dbraw/zinc/71/77/70/992717770.db2.gz SRNSIUDWUOWFBP-ZDUSSCGKSA-N 1 0 374.266 2.911 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593220740 994315336 /nfs/dbraw/zinc/31/53/36/994315336.db2.gz USRORYOMIOAPFR-IBNJYYFUSA-N 1 0 368.433 2.997 20 10 FFCDRO C[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809567973 994540213 /nfs/dbraw/zinc/54/02/13/994540213.db2.gz SNJWYQWAAPRRCJ-IBGZPJMESA-N 1 0 365.521 2.748 20 10 FFCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809741384 994600981 /nfs/dbraw/zinc/60/09/81/994600981.db2.gz STABDEGZKINFSD-UHFFFAOYSA-N 1 0 361.398 2.743 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccn1 ZINC000809742480 994601424 /nfs/dbraw/zinc/60/14/24/994601424.db2.gz ZLRRVHSIDRIBRS-UHFFFAOYSA-N 1 0 372.488 2.621 20 10 FFCDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(N2CCOCC2)cc1 ZINC000809741450 994601772 /nfs/dbraw/zinc/60/17/72/994601772.db2.gz VSLOOHRQAIKVFV-UHFFFAOYSA-N 1 0 355.482 2.957 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000809784423 994613050 /nfs/dbraw/zinc/61/30/50/994613050.db2.gz JSUYKYUBORRDHQ-QGZVFWFLSA-N 1 0 361.486 2.519 20 10 FFCDRO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000903433435 1015887706 /nfs/dbraw/zinc/88/77/06/1015887706.db2.gz WOLYZCKUMPNYGG-MRXNPFEDSA-N 1 0 356.470 2.680 20 10 FFCDRO CCCn1nccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082535556 994846345 /nfs/dbraw/zinc/84/63/45/994846345.db2.gz GUFZRMCRNPJTMJ-SJLPKXTDSA-N 1 0 370.497 2.860 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCN1C1CCOCC1 ZINC000747624260 994871244 /nfs/dbraw/zinc/87/12/44/994871244.db2.gz LLPFLRYYPFRLGC-HXUWFJFHSA-N 1 0 357.498 2.546 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC001136874824 996936179 /nfs/dbraw/zinc/93/61/79/996936179.db2.gz UEVVHJVCKADKIZ-LAUBAEHRSA-N 1 0 368.525 2.767 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000730227885 996993470 /nfs/dbraw/zinc/99/34/70/996993470.db2.gz KAPLCPNVMKTYBQ-QGZVFWFLSA-N 1 0 368.525 2.768 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)c1 ZINC000824715808 997067305 /nfs/dbraw/zinc/06/73/05/997067305.db2.gz OCWNVANPIOTQSM-IBGZPJMESA-N 1 0 371.481 2.921 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000824832474 997119345 /nfs/dbraw/zinc/11/93/45/997119345.db2.gz YOCKIPQWXLETRZ-GXTWGEPZSA-N 1 0 372.387 2.634 20 10 FFCDRO CCOC(=O)C1(O)CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000824849724 997126404 /nfs/dbraw/zinc/12/64/04/997126404.db2.gz HECMEVOUNQSFIH-UHFFFAOYSA-N 1 0 365.470 2.588 20 10 FFCDRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(F)ccc(O)c1O)Cc1ccccc12 ZINC000881073509 1016115012 /nfs/dbraw/zinc/11/50/12/1016115012.db2.gz OHEKSYJOABWMQY-UHFFFAOYSA-N 1 0 370.424 2.856 20 10 FFCDRO COc1cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825519234 997412142 /nfs/dbraw/zinc/41/21/42/997412142.db2.gz BJKSRFSJSRLWHT-HXUWFJFHSA-N 1 0 367.486 2.881 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)ccc21 ZINC000730902798 997557744 /nfs/dbraw/zinc/55/77/44/997557744.db2.gz IWAFIGKTORSWPZ-IBGZPJMESA-N 1 0 356.514 2.839 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[N@H+](CCC4CC4)C[C@H]32)cc1 ZINC001084862130 997711380 /nfs/dbraw/zinc/71/13/80/997711380.db2.gz WEDGLUOLMAHOQJ-NVXWUHKLSA-N 1 0 355.442 2.795 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3[O-])CC[C@H]21 ZINC001144308015 998304120 /nfs/dbraw/zinc/30/41/20/998304120.db2.gz GXPLWRJNWRGWBL-IINYFYTJSA-N 1 0 371.250 2.737 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(O)c1 ZINC001144503786 998612038 /nfs/dbraw/zinc/61/20/38/998612038.db2.gz CXPQJLUFQMSGAZ-APWZRJJASA-N 1 0 354.450 2.900 20 10 FFCDRO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504663 998612079 /nfs/dbraw/zinc/61/20/79/998612079.db2.gz YUUUFTUGOZZPSC-UHFFFAOYSA-N 1 0 366.458 2.930 20 10 FFCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001144509829 998623296 /nfs/dbraw/zinc/62/32/96/998623296.db2.gz LJGGDHMPAKNHNZ-HNNXBMFYSA-N 1 0 366.458 2.881 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2cc(C)[nH]n2)cc1C ZINC001085166470 999059435 /nfs/dbraw/zinc/05/94/35/999059435.db2.gz CCGALUPELJPSMU-RTBURBONSA-N 1 0 370.497 2.795 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C(C)C)CC1)cc2=O ZINC000734152925 999205549 /nfs/dbraw/zinc/20/55/49/999205549.db2.gz WLNTYZIJRGGWGE-CQSZACIVSA-N 1 0 360.458 2.870 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2csnn2)cc1C ZINC001085287834 999301470 /nfs/dbraw/zinc/30/14/70/999301470.db2.gz CSEHQKWXONVIKR-HUUCEWRRSA-N 1 0 360.483 2.686 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C)C[C@@H]3CCCC[C@H]31)cc2=O ZINC000735871175 999502957 /nfs/dbraw/zinc/50/29/57/999502957.db2.gz DFAKTYLVJSWAJO-DVOMOZLQSA-N 1 0 358.442 2.765 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000766239182 999655213 /nfs/dbraw/zinc/65/52/13/999655213.db2.gz HGCBTCJPDSDAIH-HXUWFJFHSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000741791186 999742885 /nfs/dbraw/zinc/74/28/85/999742885.db2.gz QVEAPYNDPYRKDX-FQEVSTJZSA-N 1 0 351.494 2.933 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000742940010 999793152 /nfs/dbraw/zinc/79/31/52/999793152.db2.gz OWGCCDKPMOHOEX-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([N@@H+]3CCc4cccc(O)c4C3)CC2=O)cc1 ZINC001168946720 1000010916 /nfs/dbraw/zinc/01/09/16/1000010916.db2.gz JKFGPSOQEFDIMD-GOSISDBHSA-N 1 0 366.461 2.950 20 10 FFCDRO Cc1nc(COC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)no1 ZINC000766635316 1000033670 /nfs/dbraw/zinc/03/36/70/1000033670.db2.gz WMWSDJWDACNFAV-UHFFFAOYSA-N 1 0 368.437 2.843 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cn[nH]c2)C1 ZINC000767992347 1000167829 /nfs/dbraw/zinc/16/78/29/1000167829.db2.gz MCFTUXWICGEPKF-UHFFFAOYSA-N 1 0 351.454 2.794 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O ZINC000768249471 1000200708 /nfs/dbraw/zinc/20/07/08/1000200708.db2.gz GYVVUGQLWOXMPM-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1O ZINC000846147383 1000209382 /nfs/dbraw/zinc/20/93/82/1000209382.db2.gz UNDDFDPMFGRGTD-DLBZAZTESA-N 1 0 370.497 2.657 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000846171454 1000216014 /nfs/dbraw/zinc/21/60/14/1000216014.db2.gz HAKNIMWKSNMTKP-INIZCTEOSA-N 1 0 370.497 2.993 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c1O ZINC000846147314 1000219119 /nfs/dbraw/zinc/21/91/19/1000219119.db2.gz VGQALANBVUZGJF-IEBWSBKVSA-N 1 0 370.493 2.995 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)cc1 ZINC001096640703 1016394716 /nfs/dbraw/zinc/39/47/16/1016394716.db2.gz FOWPADFDHQVHGQ-IKGGRYGDSA-N 1 0 355.442 2.984 20 10 FFCDRO C[C@@H](COCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000846663903 1000403745 /nfs/dbraw/zinc/40/37/45/1000403745.db2.gz RFKYNSGGCABMPO-OXJNMPFZSA-N 1 0 355.482 2.689 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCC2OCCO2)C1 ZINC000769664230 1000571335 /nfs/dbraw/zinc/57/13/35/1000571335.db2.gz BJLLEAHHTRDQAF-UHFFFAOYSA-N 1 0 372.465 2.714 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(OCCC(=O)NC)CC2)cc1F ZINC000770286667 1000729370 /nfs/dbraw/zinc/72/93/70/1000729370.db2.gz PBQAPXRXXHXOER-UHFFFAOYSA-N 1 0 365.493 2.789 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000770382557 1000758691 /nfs/dbraw/zinc/75/86/91/1000758691.db2.gz UOKODFVVWKMXGT-JSGCOSHPSA-N 1 0 364.442 2.999 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785985035 1001513785 /nfs/dbraw/zinc/51/37/85/1001513785.db2.gz JUSLBKLDIFKZPK-FQEVSTJZSA-N 1 0 373.522 2.576 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)cc2F)CC1 ZINC000787205659 1001675540 /nfs/dbraw/zinc/67/55/40/1001675540.db2.gz DPVMJNHVDGMQBS-HGKCTWBKSA-N 1 0 360.477 2.565 20 10 FFCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@H]2C1 ZINC001204341222 1001837799 /nfs/dbraw/zinc/83/77/99/1001837799.db2.gz BFASASYEBCLGTQ-ZIAGYGMSSA-N 1 0 369.303 2.937 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746757415 1001842728 /nfs/dbraw/zinc/84/27/28/1001842728.db2.gz PFQCFWHMQOUDPB-QGZVFWFLSA-N 1 0 362.518 2.615 20 10 FFCDRO CCCN(CC)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000746940942 1002469946 /nfs/dbraw/zinc/46/99/46/1002469946.db2.gz CVBDQKZHMQZBPA-UHFFFAOYSA-N 1 0 362.518 2.649 20 10 FFCDRO CC/C=C\CC[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001276260146 1016641124 /nfs/dbraw/zinc/64/11/24/1016641124.db2.gz XSEVKQDXBPUIOJ-WAYWQWQTSA-N 1 0 357.498 2.522 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]cnc3c2)[NH+](C)C)cc1 ZINC001184427356 1002613838 /nfs/dbraw/zinc/61/38/38/1002613838.db2.gz WTQGSIQBBZXQLT-IBGZPJMESA-N 1 0 351.454 2.662 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000775461867 1003839057 /nfs/dbraw/zinc/83/90/57/1003839057.db2.gz UAIMZLBOCITTGA-OAQYLSRUSA-N 1 0 369.509 2.814 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](CC)c3ccccc3O)C2)nc1 ZINC000775551154 1004297317 /nfs/dbraw/zinc/29/73/17/1004297317.db2.gz IMSZUQOPNJHBIY-KRWDZBQOSA-N 1 0 355.438 2.893 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000806809533 1004420124 /nfs/dbraw/zinc/42/01/24/1004420124.db2.gz BECQAMXTQYWWKD-IFXJQAMLSA-N 1 0 357.454 2.891 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000775834609 1004569372 /nfs/dbraw/zinc/56/93/72/1004569372.db2.gz BFTOKTCHFGUQEZ-HNNXBMFYSA-N 1 0 368.481 2.744 20 10 FFCDRO COc1ncc(/C=C\C(=O)N(CC[NH+]2CCCC2)c2ccccc2)cn1 ZINC000775862059 1004651383 /nfs/dbraw/zinc/65/13/83/1004651383.db2.gz DLUPNDOCOKAKKQ-KTKRTIGZSA-N 1 0 352.438 2.627 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cccnc2N2CCOCC2)ccc1OC ZINC001199178966 1004858596 /nfs/dbraw/zinc/85/85/96/1004858596.db2.gz PIPJDEFYBIWJKY-UHFFFAOYSA-N 1 0 371.481 2.753 20 10 FFCDRO CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(OC)c(OC)cc1O ZINC000775641866 1004906574 /nfs/dbraw/zinc/90/65/74/1004906574.db2.gz GAJQHZXEZCKVKF-UHFFFAOYSA-N 1 0 374.437 2.879 20 10 FFCDRO CN(C)c1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC001199722493 1005014006 /nfs/dbraw/zinc/01/40/06/1005014006.db2.gz RNBKOKNLIMRSON-UHFFFAOYSA-N 1 0 364.490 2.599 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2F)C[C@H](C)O1 ZINC000850034890 1005780233 /nfs/dbraw/zinc/78/02/33/1005780233.db2.gz SXBGPDVYQNCEID-GASCZTMLSA-N 1 0 358.461 2.872 20 10 FFCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406923 1005813579 /nfs/dbraw/zinc/81/35/79/1005813579.db2.gz ZCNKQBCNVAGOLS-UHFFFAOYSA-N 1 0 368.403 2.690 20 10 FFCDRO Cn1c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nc2ccccc21 ZINC000850405787 1005813641 /nfs/dbraw/zinc/81/36/41/1005813641.db2.gz DZDBXEQKJXAEDJ-UHFFFAOYSA-N 1 0 350.466 2.824 20 10 FFCDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000850492959 1005818428 /nfs/dbraw/zinc/81/84/28/1005818428.db2.gz RTZHDRBZPDTGPV-DNVCBOLYSA-N 1 0 366.477 2.755 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850567543 1005823027 /nfs/dbraw/zinc/82/30/27/1005823027.db2.gz FKCIZYFPXTUOLZ-AWEZNQCLSA-N 1 0 370.453 2.989 20 10 FFCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000850568312 1005823129 /nfs/dbraw/zinc/82/31/29/1005823129.db2.gz VIABZNHHHMRUSL-GOSISDBHSA-N 1 0 368.477 2.750 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850752770 1005835899 /nfs/dbraw/zinc/83/58/99/1005835899.db2.gz SMBSMCMHLGMSLP-UHFFFAOYSA-N 1 0 368.481 2.689 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851640526 1005902123 /nfs/dbraw/zinc/90/21/23/1005902123.db2.gz XJAZLQFVGKDOGF-JXFKEZNVSA-N 1 0 351.450 2.625 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1F ZINC000851655931 1005903593 /nfs/dbraw/zinc/90/35/93/1005903593.db2.gz CUXLGGWGVMULGK-IEBWSBKVSA-N 1 0 370.472 2.837 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccccc1O ZINC000851880217 1005920039 /nfs/dbraw/zinc/92/00/39/1005920039.db2.gz VPXWQDBUPUZKBX-INIZCTEOSA-N 1 0 367.449 2.849 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000851958330 1005926842 /nfs/dbraw/zinc/92/68/42/1005926842.db2.gz AYWKPALRZORKDO-SQNIBIBYSA-N 1 0 374.529 2.836 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000852012064 1005932787 /nfs/dbraw/zinc/93/27/87/1005932787.db2.gz DNFRDBHQZRFJDH-APWZRJJASA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)[NH+]3CCC(C)CC3)C2)cc1 ZINC000852188507 1005949348 /nfs/dbraw/zinc/94/93/48/1005949348.db2.gz JFKYVDCDCCUVPB-ZWKOTPCHSA-N 1 0 374.529 2.694 20 10 FFCDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000813856920 1006057832 /nfs/dbraw/zinc/05/78/32/1006057832.db2.gz DTQMUKFBDFTNRW-CZUORRHYSA-N 1 0 367.440 2.904 20 10 FFCDRO O=C(c1cccc2c1C[NH2+]C2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000852805355 1006193571 /nfs/dbraw/zinc/19/35/71/1006193571.db2.gz XDWDOHIYSCDZGR-KRWDZBQOSA-N 1 0 352.434 2.817 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852882223 1006219934 /nfs/dbraw/zinc/21/99/34/1006219934.db2.gz AMMXNVWUEPHQPU-RHSMWYFYSA-N 1 0 353.422 2.586 20 10 FFCDRO COCCC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC000881851023 1006241457 /nfs/dbraw/zinc/24/14/57/1006241457.db2.gz NJFJYHKYALJGHH-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C34CC(C(F)(F)F)(C3)C4)cc2)CC1 ZINC000881854026 1006243447 /nfs/dbraw/zinc/24/34/47/1006243447.db2.gz SFRHFEJHTRGCPN-UHFFFAOYSA-N 1 0 367.415 2.787 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c(Cl)n[nH]c3C3CC3)cc2)CC1 ZINC000881854704 1006244324 /nfs/dbraw/zinc/24/43/24/1006244324.db2.gz INONZMHXCJEBSJ-UHFFFAOYSA-N 1 0 373.888 2.622 20 10 FFCDRO C[C@@H]1CCCc2ncc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)n21 ZINC001134686279 1006436279 /nfs/dbraw/zinc/43/62/79/1006436279.db2.gz GIQZQUXEUDOVNJ-QAPCUYQASA-N 1 0 369.513 2.879 20 10 FFCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111572361 1006531368 /nfs/dbraw/zinc/53/13/68/1006531368.db2.gz ORATWQXTEJYEPY-UHFFFAOYSA-N 1 0 365.493 2.791 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000111682566 1006572524 /nfs/dbraw/zinc/57/25/24/1006572524.db2.gz DLNPKXVQWYYUOI-UHFFFAOYSA-N 1 0 363.461 2.997 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC([NH2+]C(C)C)CC3)CC2)cc1 ZINC000111851198 1006640682 /nfs/dbraw/zinc/64/06/82/1006640682.db2.gz LMYSYWUDLKGLCV-UHFFFAOYSA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)cc1 ZINC000854301614 1006768291 /nfs/dbraw/zinc/76/82/91/1006768291.db2.gz QRXMHUXBZBNJRZ-IEBWSBKVSA-N 1 0 372.513 2.544 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCC(F)(F)CC3)cc2)CC1 ZINC000883566208 1006873803 /nfs/dbraw/zinc/87/38/03/1006873803.db2.gz PXSIKLPMMJMBHY-UHFFFAOYSA-N 1 0 366.456 2.816 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cncc(F)c1 ZINC000883603002 1006902971 /nfs/dbraw/zinc/90/29/71/1006902971.db2.gz HVUHMOHQVZIWLB-HNNXBMFYSA-N 1 0 371.460 2.533 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000775257003 1007111711 /nfs/dbraw/zinc/11/17/11/1007111711.db2.gz CMDSKCOVZLUFFH-OAHLLOKOSA-N 1 0 357.429 2.952 20 10 FFCDRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775261483 1007117599 /nfs/dbraw/zinc/11/75/99/1007117599.db2.gz VLBPZQWLVXVAAD-MRXNPFEDSA-N 1 0 373.522 2.860 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258434 1007127739 /nfs/dbraw/zinc/12/77/39/1007127739.db2.gz ALEVHCNHWPGCLI-UWVAXJGDSA-N 1 0 359.514 2.869 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2cc(C)ccc2O)N2CCOCC2)cc1 ZINC000113313186 1007318910 /nfs/dbraw/zinc/31/89/10/1007318910.db2.gz REEVDTZDASYMBD-FQEVSTJZSA-N 1 0 356.466 2.872 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884222983 1007325347 /nfs/dbraw/zinc/32/53/47/1007325347.db2.gz GSFVAWUZQHQRGF-LJQANCHMSA-N 1 0 350.466 2.729 20 10 FFCDRO C[NH2+]CCOc1cccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC000884386102 1007406890 /nfs/dbraw/zinc/40/68/90/1007406890.db2.gz FPQFUSZPCSSXOE-UHFFFAOYSA-N 1 0 371.481 2.502 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000775370424 1007547413 /nfs/dbraw/zinc/54/74/13/1007547413.db2.gz GFNWDEGHTZNCEK-CYBMUJFWSA-N 1 0 372.421 2.851 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000775376009 1007585832 /nfs/dbraw/zinc/58/58/32/1007585832.db2.gz RAOKMYRTWFHXRH-QWHCGFSZSA-N 1 0 372.421 2.850 20 10 FFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000817575208 1007654882 /nfs/dbraw/zinc/65/48/82/1007654882.db2.gz GGGUSLRZGMFCHP-AEFFLSMTSA-N 1 0 359.514 2.826 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000856256194 1007739776 /nfs/dbraw/zinc/73/97/76/1007739776.db2.gz UESKSQSUHVVLFE-NRFANRHFSA-N 1 0 367.493 2.765 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000817997607 1007827779 /nfs/dbraw/zinc/82/77/79/1007827779.db2.gz SGVHTYVETXFCGB-JOCHJYFZSA-N 1 0 350.462 2.819 20 10 FFCDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000885935576 1007842481 /nfs/dbraw/zinc/84/24/81/1007842481.db2.gz NZCQJLXMESIOHT-WSTZPKSXSA-N 1 0 359.514 2.826 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(COCCO)cc3)cc2)CC1 ZINC000818233335 1007889538 /nfs/dbraw/zinc/88/95/38/1007889538.db2.gz JEIBZZGSXWKNLP-UHFFFAOYSA-N 1 0 355.482 2.559 20 10 FFCDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C[C@H]2C1 ZINC000818329657 1007903003 /nfs/dbraw/zinc/90/30/03/1007903003.db2.gz BFHIHZUHFLKBQE-ZFORQUDYSA-N 1 0 371.525 2.682 20 10 FFCDRO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000818657919 1007961988 /nfs/dbraw/zinc/96/19/88/1007961988.db2.gz KYSCCJYKZUIPHF-SFHVURJKSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000114586767 1007969204 /nfs/dbraw/zinc/96/92/04/1007969204.db2.gz WULXNHLUGFYYDO-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO CCOc1cncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000856766869 1007972182 /nfs/dbraw/zinc/97/21/82/1007972182.db2.gz DSMJYCQIYYUGKH-UHFFFAOYSA-N 1 0 359.445 2.870 20 10 FFCDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094431 1008032298 /nfs/dbraw/zinc/03/22/98/1008032298.db2.gz GQFPSRSUXXVJLW-LJQANCHMSA-N 1 0 369.421 2.501 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094996 1008032475 /nfs/dbraw/zinc/03/24/75/1008032475.db2.gz QSIXNBDJVJUQTE-OAQYLSRUSA-N 1 0 368.477 2.739 20 10 FFCDRO CC1CC[NH+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000819164052 1008053563 /nfs/dbraw/zinc/05/35/63/1008053563.db2.gz GANFHHKLMXMEHN-UHFFFAOYSA-N 1 0 359.470 2.669 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000819167673 1008055278 /nfs/dbraw/zinc/05/52/78/1008055278.db2.gz FNKPKRAAIQOKGL-UHFFFAOYSA-N 1 0 359.470 2.813 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3ccc(F)cc3C)CC2)cc1 ZINC000819394557 1008114998 /nfs/dbraw/zinc/11/49/98/1008114998.db2.gz ZNGVQZCAMWXBMQ-IBGZPJMESA-N 1 0 373.472 2.738 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000819381599 1008128666 /nfs/dbraw/zinc/12/86/66/1008128666.db2.gz ZUCAYQMVSNFANF-CTNGQTDRSA-N 1 0 370.493 2.689 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3cccc(C)c3)CC2)cc1 ZINC000819388819 1008132108 /nfs/dbraw/zinc/13/21/08/1008132108.db2.gz DIAXTHPPIRNDAW-FQEVSTJZSA-N 1 0 355.482 2.599 20 10 FFCDRO O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819454698 1008138864 /nfs/dbraw/zinc/13/88/64/1008138864.db2.gz SMAATWULXIJHAR-GLCJEOIMSA-N 1 0 369.509 2.570 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000819825328 1008237917 /nfs/dbraw/zinc/23/79/17/1008237917.db2.gz RRUGRYUCLLUIHG-VQTJNVASSA-N 1 0 367.493 2.684 20 10 FFCDRO CN(C)c1cc(F)c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC000858116108 1008304074 /nfs/dbraw/zinc/30/40/74/1008304074.db2.gz OJYJVPBYAVROBD-GOSISDBHSA-N 1 0 359.420 2.922 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858242225 1008331797 /nfs/dbraw/zinc/33/17/97/1008331797.db2.gz GHQJIWCHEPATPO-FQEVSTJZSA-N 1 0 354.498 2.879 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1 ZINC000858488225 1008367477 /nfs/dbraw/zinc/36/74/77/1008367477.db2.gz CXJWHNVCXWNFPI-FUHWJXTLSA-N 1 0 365.485 2.510 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc(N(C)C)cc1 ZINC000858565441 1008383090 /nfs/dbraw/zinc/38/30/90/1008383090.db2.gz PPWPEUXVBGCWLT-DYESRHJHSA-N 1 0 354.498 2.699 20 10 FFCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001136507026 1008498487 /nfs/dbraw/zinc/49/84/87/1008498487.db2.gz QWORPJSLXPPYEO-UHFFFAOYSA-N 1 0 357.414 2.954 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000773624898 1008520998 /nfs/dbraw/zinc/52/09/98/1008520998.db2.gz LPIDSQNQJLYEGQ-JXFKEZNVSA-N 1 0 374.529 2.756 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000886228797 1008606847 /nfs/dbraw/zinc/60/68/47/1008606847.db2.gz GDYMPZBWOQSRTM-IAGOWNOFSA-N 1 0 363.458 2.605 20 10 FFCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324918 1008636992 /nfs/dbraw/zinc/63/69/92/1008636992.db2.gz LWLLADHTXIXGCQ-ICSRJNTNSA-N 1 0 359.514 2.682 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000886325657 1008639398 /nfs/dbraw/zinc/63/93/98/1008639398.db2.gz NCTNZYNMSFEIKF-UHFFFAOYSA-N 1 0 366.509 2.744 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCc4cccnc43)cc2)C1 ZINC000886508715 1008707373 /nfs/dbraw/zinc/70/73/73/1008707373.db2.gz LKBYREAAQZFZKR-IEBWSBKVSA-N 1 0 350.466 2.560 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822967946 1008845196 /nfs/dbraw/zinc/84/51/96/1008845196.db2.gz TXMDJSZZVKVAQZ-IRXDYDNUSA-N 1 0 362.518 2.551 20 10 FFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749291 1008858987 /nfs/dbraw/zinc/85/89/87/1008858987.db2.gz OOFKRJJTSXLDHJ-PXNSSMCTSA-N 1 0 359.514 2.683 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823253981 1008975588 /nfs/dbraw/zinc/97/55/88/1008975588.db2.gz XRFDPIXTVPIYJS-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823264660 1008981736 /nfs/dbraw/zinc/98/17/36/1008981736.db2.gz VVITXONRIVCXLO-KRWDZBQOSA-N 1 0 362.518 2.553 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000823244289 1008992828 /nfs/dbraw/zinc/99/28/28/1008992828.db2.gz VJCIDCGVMSKCDQ-ZWKOTPCHSA-N 1 0 374.529 2.553 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000823481231 1009085924 /nfs/dbraw/zinc/08/59/24/1009085924.db2.gz CLWSLTPQYPRJHA-MRXNPFEDSA-N 1 0 362.518 2.566 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000823575748 1009116471 /nfs/dbraw/zinc/11/64/71/1009116471.db2.gz ACTNIITXTCRFCE-OXJNMPFZSA-N 1 0 357.450 2.922 20 10 FFCDRO CCOC(=O)CN(CCc1nc2ccccc2n1C)Cc1ccccc1O ZINC000823575968 1009116931 /nfs/dbraw/zinc/11/69/31/1009116931.db2.gz FYWWCYRTTINLLN-UHFFFAOYSA-N 1 0 367.449 2.887 20 10 FFCDRO CC[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823602456 1009137150 /nfs/dbraw/zinc/13/71/50/1009137150.db2.gz NESGAOPVYUQFIP-AZUAARDMSA-N 1 0 361.530 2.755 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000823660339 1009161711 /nfs/dbraw/zinc/16/17/11/1009161711.db2.gz KDHQZUDGFUYVGP-OAQYLSRUSA-N 1 0 371.525 2.650 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726950 1009207929 /nfs/dbraw/zinc/20/79/29/1009207929.db2.gz ZIPGQIVSKRMJCI-MJGOQNOKSA-N 1 0 374.529 2.647 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cs2)cc1 ZINC000825558293 1009274509 /nfs/dbraw/zinc/27/45/09/1009274509.db2.gz FZKVJIWRDGDPRF-WBVHZDCISA-N 1 0 370.522 2.920 20 10 FFCDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000861341405 1009350297 /nfs/dbraw/zinc/35/02/97/1009350297.db2.gz PKOICRQJMYSAOW-JXFKEZNVSA-N 1 0 357.454 2.755 20 10 FFCDRO COC(=O)c1c(C[NH2+][C@@H](CO)Cc2ccccc2)c2cc(F)ccc2n1C ZINC001181072879 1009974611 /nfs/dbraw/zinc/97/46/11/1009974611.db2.gz LFJVSEHMSLZPIO-MRXNPFEDSA-N 1 0 370.424 2.797 20 10 FFCDRO Oc1ccc2oc3c(c2c1C[NH+]1CCN(c2nccnn2)CC1)CCCC3 ZINC000863271451 1010153458 /nfs/dbraw/zinc/15/34/58/1010153458.db2.gz KAPGVPXPMHCAQM-UHFFFAOYSA-N 1 0 365.437 2.524 20 10 FFCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001181577637 1010156953 /nfs/dbraw/zinc/15/69/53/1010156953.db2.gz VWDWRCNZJMTXNE-HNNXBMFYSA-N 1 0 366.458 2.900 20 10 FFCDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000773958248 1010318775 /nfs/dbraw/zinc/31/87/75/1010318775.db2.gz CPVXYXNBCDYDKG-OAQYLSRUSA-N 1 0 361.530 2.992 20 10 FFCDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000774066951 1010455380 /nfs/dbraw/zinc/45/53/80/1010455380.db2.gz QWHLSZHQSPYFKH-LJQANCHMSA-N 1 0 369.465 2.670 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(C)cc1O ZINC000794805884 1010685948 /nfs/dbraw/zinc/68/59/48/1010685948.db2.gz RQNLZDGRUHDZDN-UTKZUKDTSA-N 1 0 367.449 2.996 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCC(CNC(C)=O)CC3)CC2)cc1 ZINC000865444707 1010787457 /nfs/dbraw/zinc/78/74/57/1010787457.db2.gz XIVOQZWDHHABSD-UHFFFAOYSA-N 1 0 359.514 2.949 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)COC1CCOCC1 ZINC000120751741 1010865342 /nfs/dbraw/zinc/86/53/42/1010865342.db2.gz PMYLXFRMXUAWGN-KRWDZBQOSA-N 1 0 361.438 2.544 20 10 FFCDRO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(N2CCCCCC2)cc1 ZINC000866519638 1011008150 /nfs/dbraw/zinc/00/81/50/1011008150.db2.gz SXKUKLRZLAZJLY-LAUBAEHRSA-N 1 0 373.497 2.939 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC000866526622 1011011718 /nfs/dbraw/zinc/01/17/18/1011011718.db2.gz NMTJKMXWSFMHAR-AWEZNQCLSA-N 1 0 364.486 2.858 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[N@@H+]1C1CC1 ZINC000121952553 1011132710 /nfs/dbraw/zinc/13/27/10/1011132710.db2.gz FWSRABBEAHCLGT-WBVHZDCISA-N 1 0 374.554 2.664 20 10 FFCDRO C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000868086936 1011162357 /nfs/dbraw/zinc/16/23/57/1011162357.db2.gz IVDDGTXRDSWLLX-OAHLLOKOSA-N 1 0 357.454 2.893 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868180516 1011191668 /nfs/dbraw/zinc/19/16/68/1011191668.db2.gz HMXAMXKYRSLMFA-DLBZAZTESA-N 1 0 352.438 2.998 20 10 FFCDRO C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)c1ccccc1O ZINC000868617794 1011389440 /nfs/dbraw/zinc/38/94/40/1011389440.db2.gz OXUTXRFJJGWZDR-HNNXBMFYSA-N 1 0 372.469 2.678 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868710904 1011435345 /nfs/dbraw/zinc/43/53/45/1011435345.db2.gz NRKBBYXNQMRXII-ILZDJORESA-N 1 0 358.530 2.728 20 10 FFCDRO COCCOc1ccc(N2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172130333 1011633459 /nfs/dbraw/zinc/63/34/59/1011633459.db2.gz OCAVLTSKTOIWOL-AERCQKQUSA-N 1 0 373.541 2.849 20 10 FFCDRO CC(C)CN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275028117 1011828625 /nfs/dbraw/zinc/82/86/25/1011828625.db2.gz RGIAHWYEVIERDR-NRFANRHFSA-N 1 0 357.498 2.596 20 10 FFCDRO CCOc1ccc(CN2CCc3nnc(N4CCCC4)cc3C2)c(O)c1 ZINC000828098703 1032597898 /nfs/dbraw/zinc/59/78/98/1032597898.db2.gz ADYKRQANEGJMPY-UHFFFAOYSA-N 1 0 354.454 2.739 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CC4CCOCC4)C3=O)C2)c1 ZINC001275238969 1012121375 /nfs/dbraw/zinc/12/13/75/1012121375.db2.gz NUXFOEIEVUQUOO-NRFANRHFSA-N 1 0 358.482 2.552 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c(O)c1 ZINC001275241624 1012129721 /nfs/dbraw/zinc/12/97/21/1012129721.db2.gz GORVYONXLCTQGS-SFHVURJKSA-N 1 0 354.397 2.623 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001275253784 1012152722 /nfs/dbraw/zinc/15/27/22/1012152722.db2.gz GTZKFPLVLWCOSK-LJQANCHMSA-N 1 0 368.424 2.871 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1C(=O)OC(C)(C)C ZINC001173055389 1012212767 /nfs/dbraw/zinc/21/27/67/1012212767.db2.gz ITSHYYXAEZTVKZ-OCCSQVGLSA-N 1 0 366.458 2.724 20 10 FFCDRO Cc1cc(CC(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1ccccc1 ZINC000828150712 1032609235 /nfs/dbraw/zinc/60/92/35/1032609235.db2.gz UOLAGEHDIBMYBT-UHFFFAOYSA-N 1 0 369.509 2.600 20 10 FFCDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc(O)c1O)Cc1ccccc12 ZINC000870184056 1012245162 /nfs/dbraw/zinc/24/51/62/1012245162.db2.gz BSALEBQHEATNNB-UHFFFAOYSA-N 1 0 352.434 2.717 20 10 FFCDRO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001275386534 1012406389 /nfs/dbraw/zinc/40/63/89/1012406389.db2.gz WZAJFBRJDIFATG-MRXNPFEDSA-N 1 0 358.482 2.883 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001173369520 1012509080 /nfs/dbraw/zinc/50/90/80/1012509080.db2.gz UTXFOZARNWZMCW-OAQYLSRUSA-N 1 0 366.509 2.877 20 10 FFCDRO COc1cc(N2CC[NH+](CCC[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000828262863 1032640581 /nfs/dbraw/zinc/64/05/81/1032640581.db2.gz BXLJXIMCYZRWRP-MRXNPFEDSA-N 1 0 364.486 2.651 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000870869491 1012612588 /nfs/dbraw/zinc/61/25/88/1012612588.db2.gz VTRVLKRLYCZKEL-XJNFMUPTSA-N 1 0 363.477 2.573 20 10 FFCDRO CN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001275580110 1012641773 /nfs/dbraw/zinc/64/17/73/1012641773.db2.gz UPWBXLGTSPOSEC-UTKZUKDTSA-N 1 0 352.434 2.546 20 10 FFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275597865 1012673267 /nfs/dbraw/zinc/67/32/67/1012673267.db2.gz KQIYVEGPOLQRDM-OAQYLSRUSA-N 1 0 357.498 2.894 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)CN1CC(F)(F)F ZINC001275673013 1012817753 /nfs/dbraw/zinc/81/77/53/1012817753.db2.gz UUYYCVCOJCLFTL-UHFFFAOYSA-N 1 0 372.387 2.865 20 10 FFCDRO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275772090 1012990833 /nfs/dbraw/zinc/99/08/33/1012990833.db2.gz XFZDJBVAJVGKOP-SFHVURJKSA-N 1 0 360.498 2.764 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359571 1032679047 /nfs/dbraw/zinc/67/90/47/1032679047.db2.gz YJHRIBLHOLFAQU-SJORKVTESA-N 1 0 367.440 2.761 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc2n(n1)CCC2 ZINC000827095188 1017103860 /nfs/dbraw/zinc/10/38/60/1017103860.db2.gz BUUJJFUIVLSYCM-OAHLLOKOSA-N 1 0 374.872 2.583 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1CCC2(CCOCC2)C1=O ZINC000777523518 1017270721 /nfs/dbraw/zinc/27/07/21/1017270721.db2.gz ONNMQFIVOZYAPP-UHFFFAOYSA-N 1 0 359.514 2.950 20 10 FFCDRO CCON1CCC([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000924715245 1017442040 /nfs/dbraw/zinc/44/20/40/1017442040.db2.gz LLCFBUQJBNSHCW-HZPDHXFCSA-N 1 0 365.493 2.945 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3CCCO)cc2)C1 ZINC000924726090 1017449200 /nfs/dbraw/zinc/44/92/00/1017449200.db2.gz KWZKHFARAFNBCX-SFHLNBCPSA-N 1 0 373.541 2.809 20 10 FFCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000924726179 1017449858 /nfs/dbraw/zinc/44/98/58/1017449858.db2.gz LMCZYGYEYHYANR-DOTOQJQBSA-N 1 0 368.481 2.643 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)cc2F)CC1 ZINC000924760575 1017467230 /nfs/dbraw/zinc/46/72/30/1017467230.db2.gz PUUCTZTYJFNZNP-CTNGQTDRSA-N 1 0 361.505 2.893 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 ZINC000924830542 1017509056 /nfs/dbraw/zinc/50/90/56/1017509056.db2.gz BUOXHOUQTCZOAP-KNQAVFIVSA-N 1 0 373.541 2.612 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3c(C)noc3C)CC2)cc1 ZINC000924831267 1017510097 /nfs/dbraw/zinc/51/00/97/1017510097.db2.gz JOVFNISHKCRYEE-OAHLLOKOSA-N 1 0 358.486 2.773 20 10 FFCDRO CC1([NH+]2CCCC2)CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000925186931 1017652980 /nfs/dbraw/zinc/65/29/80/1017652980.db2.gz AMNUXUTYRDKEBI-UHFFFAOYSA-N 1 0 371.481 2.954 20 10 FFCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925472664 1017759887 /nfs/dbraw/zinc/75/98/87/1017759887.db2.gz FTBUWOIPZMQKAB-KRWDZBQOSA-N 1 0 369.431 2.916 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H](C)[NH3+] ZINC000827365749 1017782140 /nfs/dbraw/zinc/78/21/40/1017782140.db2.gz WUAUDWPGVNFTLS-DEXNDLTESA-N 1 0 365.493 2.675 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)cc1 ZINC001137404423 1017905781 /nfs/dbraw/zinc/90/57/81/1017905781.db2.gz ISYMXOOVLULXJZ-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO CCC(=O)N1CCC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000827472275 1018174675 /nfs/dbraw/zinc/17/46/75/1018174675.db2.gz CAGRZKNWEGSBKX-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926873095 1018276305 /nfs/dbraw/zinc/27/63/05/1018276305.db2.gz KIWIQMPSFLPOSN-UXHICEINSA-N 1 0 359.514 2.539 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCOC34CCCCC4)cc2)CC1 ZINC000926872372 1018276537 /nfs/dbraw/zinc/27/65/37/1018276537.db2.gz DVPONCNYWLIELH-FQEVSTJZSA-N 1 0 371.525 2.970 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)cc2)CC1 ZINC000828564926 1032754658 /nfs/dbraw/zinc/75/46/58/1032754658.db2.gz YDXJSOIWVSARDE-NQIIRXRSSA-N 1 0 371.525 2.792 20 10 FFCDRO C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)c1ccccc1O ZINC000926998517 1018318459 /nfs/dbraw/zinc/31/84/59/1018318459.db2.gz PDOTXLFLCAQRIL-CYBMUJFWSA-N 1 0 373.457 2.626 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000827661850 1018604003 /nfs/dbraw/zinc/60/40/03/1018604003.db2.gz HPUTZIIQWZGRMI-UHFFFAOYSA-N 1 0 358.438 2.707 20 10 FFCDRO COc1ccc(OCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000827662979 1018604324 /nfs/dbraw/zinc/60/43/24/1018604324.db2.gz XIUPMVLWMRXGEU-UHFFFAOYSA-N 1 0 356.466 2.825 20 10 FFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725359 1018629190 /nfs/dbraw/zinc/62/91/90/1018629190.db2.gz FTIJMEZHZGRGLL-UZLBHIALSA-N 1 0 353.466 2.709 20 10 FFCDRO C[C@H](NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000827726130 1018630599 /nfs/dbraw/zinc/63/05/99/1018630599.db2.gz RSLDBHRDEDKESW-YWZLYKJASA-N 1 0 371.456 2.582 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000801575519 1019129673 /nfs/dbraw/zinc/12/96/73/1019129673.db2.gz JKWRJVPAWHNIFA-LJQANCHMSA-N 1 0 367.493 2.694 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COC[C@@H]2C)C1 ZINC000928908974 1019174262 /nfs/dbraw/zinc/17/42/62/1019174262.db2.gz JYVMDNSAOFEORA-MAUKXSAKSA-N 1 0 355.482 2.559 20 10 FFCDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000902085754 1019818835 /nfs/dbraw/zinc/81/88/35/1019818835.db2.gz HVQJRKCOWLJQQF-SFHVURJKSA-N 1 0 352.482 2.720 20 10 FFCDRO c1nnc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1C1CC1 ZINC000930058260 1019847676 /nfs/dbraw/zinc/84/76/76/1019847676.db2.gz JIGPNSZIRSDCSO-SFHVURJKSA-N 1 0 367.497 2.829 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000930851876 1020211316 /nfs/dbraw/zinc/21/13/16/1020211316.db2.gz CQHDYURDJAEUCI-UHFFFAOYSA-N 1 0 372.494 2.641 20 10 FFCDRO C[C@@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CCC1 ZINC000900185585 1020250571 /nfs/dbraw/zinc/25/05/71/1020250571.db2.gz OVUXNXDEYJBIRE-RDTXWAMCSA-N 1 0 358.486 2.561 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c(O)c1 ZINC000725853932 1020271422 /nfs/dbraw/zinc/27/14/22/1020271422.db2.gz YZPUETJNQWZLFP-OAHLLOKOSA-N 1 0 356.422 2.695 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)CCN2CC[NH+](CC)CC2)cc1 ZINC000725879389 1020275208 /nfs/dbraw/zinc/27/52/08/1020275208.db2.gz FWVIMLRKSSAVNQ-UHFFFAOYSA-N 1 0 360.546 2.519 20 10 FFCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000902759007 1020456841 /nfs/dbraw/zinc/45/68/41/1020456841.db2.gz MZPLKQLPSWYYNC-CMKODMSKSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC001222360304 1032912508 /nfs/dbraw/zinc/91/25/08/1032912508.db2.gz MRQSLASYXRACJB-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903381370 1020815065 /nfs/dbraw/zinc/81/50/65/1020815065.db2.gz WAWXXJZYFZSPTD-RDTXWAMCSA-N 1 0 357.454 2.917 20 10 FFCDRO CCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H]1CCCCO1 ZINC000749292491 1020919935 /nfs/dbraw/zinc/91/99/35/1020919935.db2.gz QRWUZPNONIUKBC-HXUWFJFHSA-N 1 0 361.530 2.992 20 10 FFCDRO COC(=O)C1=C(C)O[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000778219531 1021136274 /nfs/dbraw/zinc/13/62/74/1021136274.db2.gz HLMYHSUYMAQFBY-IAGOWNOFSA-N 1 0 361.438 2.609 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@H](O)C3)cc2F)CC1 ZINC001116502387 1021249902 /nfs/dbraw/zinc/24/99/02/1021249902.db2.gz UVNYUMLBKKFQSY-FXAWDEMLSA-N 1 0 363.521 2.806 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@@H](O)C3)cc2F)CC1 ZINC001116502388 1021250793 /nfs/dbraw/zinc/25/07/93/1021250793.db2.gz UVNYUMLBKKFQSY-PXNSSMCTSA-N 1 0 363.521 2.806 20 10 FFCDRO C[C@@H]1Cc2ccc3c(c2C(=O)C1)C(=O)c1cccc(OC2C[NH2+]C2)c1C3=O ZINC001218053277 1032973052 /nfs/dbraw/zinc/97/30/52/1032973052.db2.gz VMGUIHLYFJYQAS-LLVKDONJSA-N 1 0 361.397 2.578 20 10 FFCDRO COc1c(C)c(OC2CC3(C[NH2+]C3)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218057048 1032974011 /nfs/dbraw/zinc/97/40/11/1032974011.db2.gz XVCNWHQPLOLYGS-UHFFFAOYSA-N 1 0 363.413 2.910 20 10 FFCDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218063068 1032976063 /nfs/dbraw/zinc/97/60/63/1032976063.db2.gz XEUSLNGHFDVKAF-VXGBXAGGSA-N 1 0 366.373 2.890 20 10 FFCDRO COc1cccc(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c1O ZINC000934940117 1021477778 /nfs/dbraw/zinc/47/77/78/1021477778.db2.gz ILKPBBCNLIXQGT-FMIVXFBMSA-N 1 0 370.449 2.671 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(O)c1 ZINC001117750350 1021857807 /nfs/dbraw/zinc/85/78/07/1021857807.db2.gz HPYKLSYBVNFMGG-SPLOXXLWSA-N 1 0 367.449 2.914 20 10 FFCDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000041442395 1022075562 /nfs/dbraw/zinc/07/55/62/1022075562.db2.gz QAXJGRGCWCIGRT-UHFFFAOYSA-N 1 0 368.525 2.852 20 10 FFCDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000780480845 1022467050 /nfs/dbraw/zinc/46/70/50/1022467050.db2.gz QXSLVSLOELNUDZ-OAHLLOKOSA-N 1 0 364.530 2.975 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cc1F ZINC001118908705 1022468105 /nfs/dbraw/zinc/46/81/05/1022468105.db2.gz JCOZKUQIXHGYNO-UHFFFAOYSA-N 1 0 355.429 2.987 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1C ZINC001118914753 1022472222 /nfs/dbraw/zinc/47/22/22/1022472222.db2.gz NSAXYHMIDZZHBK-BGYRXZFFSA-N 1 0 365.477 2.849 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(F)F)nc3)cc2)CC1 ZINC001119340318 1022700131 /nfs/dbraw/zinc/70/01/31/1022700131.db2.gz WXCOHUIEPDCCBT-UHFFFAOYSA-N 1 0 360.408 2.701 20 10 FFCDRO COC(=O)c1c(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c2cc(F)ccc2n1C ZINC001119444008 1022769811 /nfs/dbraw/zinc/76/98/11/1022769811.db2.gz ZABLVGAELCGACT-UHFFFAOYSA-N 1 0 372.400 2.506 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001222634371 1033084964 /nfs/dbraw/zinc/08/49/64/1033084964.db2.gz BHVABXGIUIMPRK-TZIWHRDSSA-N 1 0 361.530 2.971 20 10 FFCDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000752074738 1023049117 /nfs/dbraw/zinc/04/91/17/1023049117.db2.gz GWAFSKVLMBSKLJ-RXVVDRJESA-N 1 0 361.530 2.846 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+]CC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218322968 1033104343 /nfs/dbraw/zinc/10/43/43/1033104343.db2.gz WFEDXNAWWVOCCJ-ZBFHGGJFSA-N 1 0 355.365 2.555 20 10 FFCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076308497 1023280246 /nfs/dbraw/zinc/28/02/46/1023280246.db2.gz RNYYFFPEBGENDS-HXUWFJFHSA-N 1 0 359.514 2.696 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cc(N)cc(F)c2)[NH+](C)C)cc1 ZINC001120573429 1023368069 /nfs/dbraw/zinc/36/80/69/1023368069.db2.gz JVMSVAZGLLSJGE-IBGZPJMESA-N 1 0 373.476 2.576 20 10 FFCDRO CCC[N@H+](CC(C)C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754012221 1023415592 /nfs/dbraw/zinc/41/55/92/1023415592.db2.gz IGNCOBHKWYQSHN-HXUWFJFHSA-N 1 0 363.546 2.546 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1F ZINC000754037949 1023417339 /nfs/dbraw/zinc/41/73/39/1023417339.db2.gz HQYDCBWWIIMSCQ-XHSDSOJGSA-N 1 0 363.477 2.744 20 10 FFCDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001218395091 1033135665 /nfs/dbraw/zinc/13/56/65/1033135665.db2.gz ZZYZNIOFEFXVJL-QRWLVFNGSA-N 1 0 368.437 2.661 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+]C[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218417779 1033145766 /nfs/dbraw/zinc/14/57/66/1033145766.db2.gz XMOKPJKKOOIVLQ-APPDUMDISA-N 1 0 351.402 2.853 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC=CCC1 ZINC000779371349 1023751510 /nfs/dbraw/zinc/75/15/10/1023751510.db2.gz HADQZIGGEPIRQL-UHFFFAOYSA-N 1 0 354.498 2.690 20 10 FFCDRO CC[C@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)O1 ZINC000756931545 1023771246 /nfs/dbraw/zinc/77/12/46/1023771246.db2.gz JOKOLKMIBKGGOW-QFBILLFUSA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1C ZINC000757656872 1023843087 /nfs/dbraw/zinc/84/30/87/1023843087.db2.gz OZQONJLUIMDJOM-DOTOQJQBSA-N 1 0 356.470 2.584 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)C(=O)NCC4)CC2)cc1 ZINC000757661728 1023844882 /nfs/dbraw/zinc/84/48/82/1023844882.db2.gz PHTKNMWTMWZBOQ-UHFFFAOYSA-N 1 0 365.477 2.740 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CSc3ccc(C)cn3)CC2)cc1 ZINC000758209057 1023965378 /nfs/dbraw/zinc/96/53/78/1023965378.db2.gz HEAOTMIXBKJNTR-SFHVURJKSA-N 1 0 373.522 2.674 20 10 FFCDRO O=C(Cc1ccccc1)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000193395116 1024500471 /nfs/dbraw/zinc/50/04/71/1024500471.db2.gz SVYRLYGNMNFBCG-UHFFFAOYSA-N 1 0 350.462 2.768 20 10 FFCDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000759585126 1024673447 /nfs/dbraw/zinc/67/34/47/1024673447.db2.gz XTFZEDAJWICSAQ-RBUKOAKNSA-N 1 0 361.530 2.894 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC001141156678 1025538429 /nfs/dbraw/zinc/53/84/29/1025538429.db2.gz QKKGWHCBIGQFHF-UHFFFAOYSA-N 1 0 364.243 2.578 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC001141159441 1025542461 /nfs/dbraw/zinc/54/24/61/1025542461.db2.gz DCZSAMSRNQPTLF-IBGZPJMESA-N 1 0 370.449 2.833 20 10 FFCDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141160315 1025544861 /nfs/dbraw/zinc/54/48/61/1025544861.db2.gz VKGTUTWDSVLMRF-VXKWHMMOSA-N 1 0 366.461 2.862 20 10 FFCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837881767 1026082113 /nfs/dbraw/zinc/08/21/13/1026082113.db2.gz HFVZVPHULGCESX-PKOBYXMFSA-N 1 0 374.529 2.710 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000839604091 1026754844 /nfs/dbraw/zinc/75/48/44/1026754844.db2.gz ALNACUPJNUTCRY-VGSWGCGISA-N 1 0 369.509 2.813 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000840128809 1026970976 /nfs/dbraw/zinc/97/09/76/1026970976.db2.gz VCMUWZZOHVIFTG-GXTWGEPZSA-N 1 0 372.387 2.552 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000840261291 1027024595 /nfs/dbraw/zinc/02/45/95/1027024595.db2.gz MLCODNAEXDFQIJ-VDGAXYAQSA-N 1 0 358.530 2.918 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840477876 1027087912 /nfs/dbraw/zinc/08/79/12/1027087912.db2.gz AWKZUNNGYCKZST-MSOLQXFVSA-N 1 0 360.546 2.975 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c3nc[nH]c3ccc2F)[NH+](C)C)cc1 ZINC001158716976 1027106024 /nfs/dbraw/zinc/10/60/24/1027106024.db2.gz JTFSNNSAOINXPR-QGZVFWFLSA-N 1 0 369.444 2.801 20 10 FFCDRO CCOc1ccc(O)c(CN2CCN(C(=O)Cc3ccccc3C)CC2)c1 ZINC000092733468 1027428163 /nfs/dbraw/zinc/42/81/63/1027428163.db2.gz VYGZBGONIFLLSK-UHFFFAOYSA-N 1 0 368.477 2.986 20 10 FFCDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000093415491 1027714802 /nfs/dbraw/zinc/71/48/02/1027714802.db2.gz HJRKDNQXTJZQLD-OAQYLSRUSA-N 1 0 356.466 2.697 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795691936 1027819213 /nfs/dbraw/zinc/81/92/13/1027819213.db2.gz OAMRLGLXVCHBCJ-WBVHZDCISA-N 1 0 362.514 2.993 20 10 FFCDRO [NH3+][C@@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC001160924046 1027926009 /nfs/dbraw/zinc/92/60/09/1027926009.db2.gz AOUAJFVPBRRQMA-QQHSFYSYSA-N 1 0 370.493 2.916 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000781362546 1029164877 /nfs/dbraw/zinc/16/48/77/1029164877.db2.gz YOAQCXNQPJHPAQ-MRXNPFEDSA-N 1 0 374.554 2.689 20 10 FFCDRO C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000781397106 1029190203 /nfs/dbraw/zinc/19/02/03/1029190203.db2.gz XEAJSPNTUSAWOG-VQIMIIECSA-N 1 0 373.497 2.733 20 10 FFCDRO Cn1ccc2c1nc(Cl)nc2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655418 1029291137 /nfs/dbraw/zinc/29/11/37/1029291137.db2.gz ADVCQIDSFYRPOP-UHFFFAOYSA-N 1 0 370.888 2.986 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(-c4ccccn4)ncn3)cc2)CC1 ZINC001156658418 1029292853 /nfs/dbraw/zinc/29/28/53/1029292853.db2.gz BVOXTMIQDGAUMU-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO Fc1cc(CNc2[nH]c3cc4c(cc3[nH+]2)OCO4)ccc1N1CCOCC1 ZINC000840886518 1029905121 /nfs/dbraw/zinc/90/51/21/1029905121.db2.gz YUEXVMQTERRSMT-UHFFFAOYSA-N 1 0 370.384 2.879 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000840940210 1029936471 /nfs/dbraw/zinc/93/64/71/1029936471.db2.gz WVYUBBXYSVFJBW-UHFFFAOYSA-N 1 0 358.461 2.722 20 10 FFCDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044700 1029997434 /nfs/dbraw/zinc/99/74/34/1029997434.db2.gz XQONQFPSTOLPPV-GOSISDBHSA-N 1 0 358.442 2.849 20 10 FFCDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000841094191 1030034227 /nfs/dbraw/zinc/03/42/27/1030034227.db2.gz QGIBYJOENQRQEL-KBPBESRZSA-N 1 0 354.454 2.588 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000841100022 1030035674 /nfs/dbraw/zinc/03/56/74/1030035674.db2.gz COXFGCWTIQJJHY-UHFFFAOYSA-N 1 0 366.465 2.874 20 10 FFCDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841149552 1030074530 /nfs/dbraw/zinc/07/45/30/1030074530.db2.gz JIZJBCGFTLMGCU-UHFFFAOYSA-N 1 0 370.453 2.567 20 10 FFCDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Nc1ccc(N)cc1 ZINC000841300929 1030171021 /nfs/dbraw/zinc/17/10/21/1030171021.db2.gz XDPNVLMMGDYETC-UHFFFAOYSA-N 1 0 373.545 2.929 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1 ZINC000841321343 1030194938 /nfs/dbraw/zinc/19/49/38/1030194938.db2.gz GMJPJGNXWYSKFV-UHFFFAOYSA-N 1 0 353.470 2.895 20 10 FFCDRO [NH3+]CCOc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000841324504 1030197614 /nfs/dbraw/zinc/19/76/14/1030197614.db2.gz JRKBGIBJBBEOMF-UHFFFAOYSA-N 1 0 352.438 2.722 20 10 FFCDRO [NH3+]CCOc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841324517 1030197727 /nfs/dbraw/zinc/19/77/27/1030197727.db2.gz JXONIROGZIQEAL-UHFFFAOYSA-N 1 0 354.454 2.946 20 10 FFCDRO Nc1ccc(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000841689274 1030406017 /nfs/dbraw/zinc/40/60/17/1030406017.db2.gz PGWHTJFAHHDDAX-UHFFFAOYSA-N 1 0 352.482 2.907 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841707670 1030420435 /nfs/dbraw/zinc/42/04/35/1030420435.db2.gz XHDRVYVRJJCNRS-JJTKIYQPSA-N 1 0 374.554 2.664 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841710168 1030421782 /nfs/dbraw/zinc/42/17/82/1030421782.db2.gz UCWCXYMKCSFXLT-NRFANRHFSA-N 1 0 364.493 2.973 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000841739693 1030437926 /nfs/dbraw/zinc/43/79/26/1030437926.db2.gz BBTOEZHEDCYQLR-OXQOHEQNSA-N 1 0 368.481 2.583 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000841779045 1030461133 /nfs/dbraw/zinc/46/11/33/1030461133.db2.gz KZACPULNHWPPSR-LJQANCHMSA-N 1 0 362.518 2.679 20 10 FFCDRO CC(C)[C@@H]([NH3+])CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782278 1030462499 /nfs/dbraw/zinc/46/24/99/1030462499.db2.gz KYVCRHUALTYWGA-INIZCTEOSA-N 1 0 370.444 2.539 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000841793548 1030469913 /nfs/dbraw/zinc/46/99/13/1030469913.db2.gz MYGNXSIBTPJTRZ-NRFANRHFSA-N 1 0 356.514 2.818 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000841795085 1030471505 /nfs/dbraw/zinc/47/15/05/1030471505.db2.gz GIJYJQXDYXLPQS-HXUWFJFHSA-N 1 0 362.493 2.957 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000841829096 1030491082 /nfs/dbraw/zinc/49/10/82/1030491082.db2.gz XVCNNSPXCSTASY-VQTJNVASSA-N 1 0 352.482 2.697 20 10 FFCDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841842985 1030499032 /nfs/dbraw/zinc/49/90/32/1030499032.db2.gz ASFMPWPAPSIVIP-BBRMVZONSA-N 1 0 370.444 2.539 20 10 FFCDRO C[C@H]1[C@@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841906811 1030534221 /nfs/dbraw/zinc/53/42/21/1030534221.db2.gz UZRLQGKEFIHHGK-JXFKEZNVSA-N 1 0 352.482 2.774 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000841916405 1030540917 /nfs/dbraw/zinc/54/09/17/1030540917.db2.gz ZEBGOBUWKAGKAY-UHFFFAOYSA-N 1 0 356.470 2.809 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCCC1 ZINC000841986657 1030568728 /nfs/dbraw/zinc/56/87/28/1030568728.db2.gz MVEPOUGUEDNFBT-ZWKOTPCHSA-N 1 0 361.486 2.600 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699642182 1030700478 /nfs/dbraw/zinc/70/04/78/1030700478.db2.gz XGCSBYWXGDUBOU-YJBOKZPZSA-N 1 0 363.502 2.867 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@H]3C[N@H+](Cc4ccccc4O)CCN3C2)n1 ZINC001203551762 1030758988 /nfs/dbraw/zinc/75/89/88/1030758988.db2.gz MUJGCAICQJATON-VQTJNVASSA-N 1 0 353.466 2.571 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001203555526 1030763054 /nfs/dbraw/zinc/76/30/54/1030763054.db2.gz BZLGULQQGFNFDV-SFHVURJKSA-N 1 0 364.449 2.833 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001203623865 1030791428 /nfs/dbraw/zinc/79/14/28/1030791428.db2.gz XIKNEQPPQXOCGU-PXNSSMCTSA-N 1 0 372.440 2.877 20 10 FFCDRO COc1ccc(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)c(O)c1 ZINC001203629964 1030796162 /nfs/dbraw/zinc/79/61/62/1030796162.db2.gz PDLOMBXAMWLZCS-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001203635405 1030799019 /nfs/dbraw/zinc/79/90/19/1030799019.db2.gz SRPFRBWOGJPQSO-CYBMUJFWSA-N 1 0 352.232 2.807 20 10 FFCDRO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203656722 1030808960 /nfs/dbraw/zinc/80/89/60/1030808960.db2.gz VXIBPBYAOXAOMH-JFIYKMOQSA-N 1 0 364.873 2.551 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001203657896 1030810118 /nfs/dbraw/zinc/81/01/18/1030810118.db2.gz IAHGYOAVLCVKSB-RTBURBONSA-N 1 0 373.884 2.916 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c1 ZINC001203675132 1030822002 /nfs/dbraw/zinc/82/20/02/1030822002.db2.gz OEWIAWRCSWUMNB-LJQANCHMSA-N 1 0 352.434 2.854 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203681186 1030824759 /nfs/dbraw/zinc/82/47/59/1030824759.db2.gz PRARGOBZMKIIAE-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203876813 1030949467 /nfs/dbraw/zinc/94/94/67/1030949467.db2.gz JSIRLMSWEQGNBE-KRWDZBQOSA-N 1 0 352.434 2.736 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)cc1 ZINC001203933466 1030993043 /nfs/dbraw/zinc/99/30/43/1030993043.db2.gz MAJBNAWCQKPACR-HXUWFJFHSA-N 1 0 364.493 2.786 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)cc1 ZINC001203933823 1030993988 /nfs/dbraw/zinc/99/39/88/1030993988.db2.gz ROEKHHSBBCCSDW-HXUWFJFHSA-N 1 0 371.525 2.604 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC)[C@@H]3C2)cc1 ZINC001203940797 1030998540 /nfs/dbraw/zinc/99/85/40/1030998540.db2.gz ZNUZZCMGBDXCKD-HSALFYBXSA-N 1 0 359.514 2.506 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC001203940136 1030998578 /nfs/dbraw/zinc/99/85/78/1030998578.db2.gz VYNYUNRAPYWNFQ-OALUTQOASA-N 1 0 351.498 2.891 20 10 FFCDRO CNC(=O)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccc(OC)c(F)c1 ZINC000842879518 1031011683 /nfs/dbraw/zinc/01/16/83/1031011683.db2.gz JAQGKOIPBMEQDK-RDJZCZTQSA-N 1 0 372.440 2.722 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000842882933 1031019213 /nfs/dbraw/zinc/01/92/13/1031019213.db2.gz BXFWTAHKIIOWBT-YOEHRIQHSA-N 1 0 363.477 2.712 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000797615223 1031162448 /nfs/dbraw/zinc/16/24/48/1031162448.db2.gz XAIFXIDLLZTWJU-AWEZNQCLSA-N 1 0 373.453 2.791 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c(O)c1 ZINC001204273460 1031198810 /nfs/dbraw/zinc/19/88/10/1031198810.db2.gz BXGARMXDHSCKEK-POZUXBRTSA-N 1 0 356.422 2.551 20 10 FFCDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(O)cc4O)C3)CC2=O)cc1 ZINC001204273805 1031200822 /nfs/dbraw/zinc/20/08/22/1031200822.db2.gz VPRUKIXLDMGUTN-NRFANRHFSA-N 1 0 368.433 2.735 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CN1c1cccc(F)c1 ZINC001204274076 1031201975 /nfs/dbraw/zinc/20/19/75/1031201975.db2.gz HMXWSCVLVVXWMD-HXUWFJFHSA-N 1 0 356.397 2.866 20 10 FFCDRO Oc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC001204274690 1031202392 /nfs/dbraw/zinc/20/23/92/1031202392.db2.gz GHXKZUMEGNEOEU-UHFFFAOYSA-N 1 0 353.344 2.834 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204329655 1031232820 /nfs/dbraw/zinc/23/28/20/1031232820.db2.gz UGYZQTGTHXDMFH-HXUWFJFHSA-N 1 0 359.514 2.746 20 10 FFCDRO COc1cc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001204344929 1031240718 /nfs/dbraw/zinc/24/07/18/1031240718.db2.gz LNZCLQCDFSYKHQ-QZTJIDSGSA-N 1 0 354.450 2.670 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)cc(O)c1O ZINC001204345562 1031241053 /nfs/dbraw/zinc/24/10/53/1031241053.db2.gz UPRURCHZYWXRHN-UHFFFAOYSA-N 1 0 371.393 2.555 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC001143110645 1031241057 /nfs/dbraw/zinc/24/10/57/1031241057.db2.gz MYOJORKCQVVLHU-GOSISDBHSA-N 1 0 360.498 2.903 20 10 FFCDRO COc1cc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc(O)c1O ZINC001204348754 1031246019 /nfs/dbraw/zinc/24/60/19/1031246019.db2.gz OONHGXNIGXGOCE-AWEZNQCLSA-N 1 0 374.485 2.720 20 10 FFCDRO Cc1ccc(OCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000843299660 1031297519 /nfs/dbraw/zinc/29/75/19/1031297519.db2.gz VPYIWBBLVSULMZ-LJQANCHMSA-N 1 0 355.482 2.955 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1cccc(C)c1O)Cc1ccc(OC)c(F)c1 ZINC000843415353 1031390138 /nfs/dbraw/zinc/39/01/38/1031390138.db2.gz SOGUXOXEEHMAGB-INIZCTEOSA-N 1 0 360.429 2.543 20 10 FFCDRO COC[C@]1(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCC[NH2+]1 ZINC000843478672 1031421009 /nfs/dbraw/zinc/42/10/09/1031421009.db2.gz VSROAYPOADBNQN-HXUWFJFHSA-N 1 0 359.445 2.732 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001205706441 1031945992 /nfs/dbraw/zinc/94/59/92/1031945992.db2.gz JGZYWYXPEGALLZ-ZIAGYGMSSA-N 1 0 366.458 2.687 20 10 FFCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CCC1(F)F ZINC001205787054 1031992796 /nfs/dbraw/zinc/99/27/96/1031992796.db2.gz DTDQFFCVNQKGOC-AWEZNQCLSA-N 1 0 359.848 2.593 20 10 FFCDRO Nc1ccc2c(c1NC(=O)c1cccc(C[NH3+])c1)C(=O)c1ccccc1C2=O ZINC001219001878 1033453517 /nfs/dbraw/zinc/45/35/17/1033453517.db2.gz HGVAAXRHRQDWNI-UHFFFAOYSA-N 1 0 371.396 2.755 20 10 FFCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000831123462 1033956019 /nfs/dbraw/zinc/95/60/19/1033956019.db2.gz SBUYRZANZMXTOF-QWHCGFSZSA-N 1 0 370.444 2.682 20 10 FFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccc(N2CCCCC2)cc1 ZINC001138219510 1033972450 /nfs/dbraw/zinc/97/24/50/1033972450.db2.gz FHHVNZIIYOHMQL-UHFFFAOYSA-N 1 0 361.530 2.994 20 10 FFCDRO CCc1nocc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000831560582 1034125307 /nfs/dbraw/zinc/12/53/07/1034125307.db2.gz CCDBYBLDXHMOJD-UHFFFAOYSA-N 1 0 368.481 2.699 20 10 FFCDRO CCO[C@@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H]2CCCO[C@H]12 ZINC001138339538 1034170250 /nfs/dbraw/zinc/17/02/50/1034170250.db2.gz FOQNJKHDJISVOW-KNKQGSTJSA-N 1 0 372.509 2.859 20 10 FFCDRO CN1CCCc2cc(C[NH+]3C[C@@H]4CN(C(=O)c5ccco5)C[C@H]4C3)ccc21 ZINC001138356732 1034193208 /nfs/dbraw/zinc/19/32/08/1034193208.db2.gz MPVYVSOUDISLRY-RTBURBONSA-N 1 0 365.477 2.866 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c(OC)c1 ZINC001138388186 1034222313 /nfs/dbraw/zinc/22/23/13/1034222313.db2.gz RWQHHWWXXPPWHV-UHFFFAOYSA-N 1 0 361.530 2.838 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(OC)c1 ZINC001138388782 1034224153 /nfs/dbraw/zinc/22/41/53/1034224153.db2.gz DJRKGPHOUYECIE-RUYXUALKSA-N 1 0 359.514 2.744 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1 ZINC001277057347 1034327529 /nfs/dbraw/zinc/32/75/29/1034327529.db2.gz XZCLAPQSSDXGTG-NRFANRHFSA-N 1 0 358.482 2.655 20 10 FFCDRO CCCOc1cccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832266848 1034688427 /nfs/dbraw/zinc/68/84/27/1034688427.db2.gz JQPKXIDCOHGQST-HXUWFJFHSA-N 1 0 355.482 2.900 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)nc2C2CCCCC2)cc1 ZINC000832267487 1034690307 /nfs/dbraw/zinc/69/03/07/1034690307.db2.gz TWRRWWMQUIJZCJ-IBGZPJMESA-N 1 0 369.513 2.964 20 10 FFCDRO Oc1c(O)c(O)c(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(O)c1O ZINC001226467672 1034697578 /nfs/dbraw/zinc/69/75/78/1034697578.db2.gz IRLSEGVRWUDNNF-HZSPNIEDSA-N 1 0 373.405 2.504 20 10 FFCDRO Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279260 1034697794 /nfs/dbraw/zinc/69/77/94/1034697794.db2.gz IAGSASNKSMDNLO-INIZCTEOSA-N 1 0 368.437 2.668 20 10 FFCDRO CCOc1ccccc1CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293162 1034705360 /nfs/dbraw/zinc/70/53/60/1034705360.db2.gz QMCTYKFQQYZXKQ-IBGZPJMESA-N 1 0 355.482 2.900 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c1 ZINC001139097119 1034933985 /nfs/dbraw/zinc/93/39/85/1034933985.db2.gz ULURUQVEEXAFPS-UHFFFAOYSA-N 1 0 364.453 2.506 20 10 FFCDRO COC(=O)c1cccc2c1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139409981 1035094161 /nfs/dbraw/zinc/09/41/61/1035094161.db2.gz YZHJPABKCXYWDB-UHFFFAOYSA-N 1 0 365.477 2.741 20 10 FFCDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054886 1035325070 /nfs/dbraw/zinc/32/50/70/1035325070.db2.gz ZIQNEILSRGTNLS-UHFFFAOYSA-N 1 0 358.461 2.863 20 10 FFCDRO O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055336 1035325290 /nfs/dbraw/zinc/32/52/90/1035325290.db2.gz DNFOMYBFIQIPOQ-KRWDZBQOSA-N 1 0 355.413 2.565 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1O ZINC001140180465 1035370000 /nfs/dbraw/zinc/37/00/00/1035370000.db2.gz XDDXJGJXIJUCBM-XKGZKEIXSA-N 1 0 369.465 2.857 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)c1O ZINC001140180801 1035370615 /nfs/dbraw/zinc/37/06/15/1035370615.db2.gz MCJQADGLYWRQNF-IBGZPJMESA-N 1 0 366.527 2.789 20 10 FFCDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140284101 1035418383 /nfs/dbraw/zinc/41/83/83/1035418383.db2.gz LMVRMGCWVKUHLJ-UHFFFAOYSA-N 1 0 371.525 2.625 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC001140286897 1035419646 /nfs/dbraw/zinc/41/96/46/1035419646.db2.gz VJSMONOYCRYQMI-UHFFFAOYSA-N 1 0 360.498 2.955 20 10 FFCDRO Oc1cccc(Cl)c1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001140338920 1035443930 /nfs/dbraw/zinc/44/39/30/1035443930.db2.gz BAQDLJXWRNIDEY-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140465865 1035485654 /nfs/dbraw/zinc/48/56/54/1035485654.db2.gz SOIMJORGXXMPHD-UKRRQHHQSA-N 1 0 356.850 2.506 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001140467501 1035486363 /nfs/dbraw/zinc/48/63/63/1035486363.db2.gz RTRMYBRWGNAENL-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000835036731 1035491664 /nfs/dbraw/zinc/49/16/64/1035491664.db2.gz QPVLDPLXMNXZFT-AWUSRGSFSA-N 1 0 365.521 2.775 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000835041721 1035492349 /nfs/dbraw/zinc/49/23/49/1035492349.db2.gz ABPJWXUNYNJYNJ-CHYADLBTSA-N 1 0 368.403 2.539 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]C/C=C\c2ccc(N(C)C)cc2)cc1O ZINC000835054128 1035494583 /nfs/dbraw/zinc/49/45/83/1035494583.db2.gz RERLFFWEPPSBEZ-HMECNJMJSA-N 1 0 370.493 2.921 20 10 FFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000835071955 1035509354 /nfs/dbraw/zinc/50/93/54/1035509354.db2.gz AKKZYMYETUFGFX-NRFANRHFSA-N 1 0 354.494 2.833 20 10 FFCDRO O=C(c1ccco1)N1C[C@@H]2C[NH+](Cc3cc(Cl)c(O)cc3O)C[C@H]2C1 ZINC001232259967 1035530586 /nfs/dbraw/zinc/53/05/86/1035530586.db2.gz NFTNSAJIQRFUPT-STQMWFEESA-N 1 0 362.813 2.548 20 10 FFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232266260 1035537488 /nfs/dbraw/zinc/53/74/88/1035537488.db2.gz SQGUVPOMSWISTI-UHFFFAOYSA-N 1 0 355.910 2.514 20 10 FFCDRO COC(=O)c1c(CN2CCN(Cc3ccco3)CC2)c2ccccc2n1C ZINC001232408151 1035656434 /nfs/dbraw/zinc/65/64/34/1035656434.db2.gz XBEOBUMIGGHSPO-UHFFFAOYSA-N 1 0 367.449 2.876 20 10 FFCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC001140617038 1035736380 /nfs/dbraw/zinc/73/63/80/1035736380.db2.gz AOPNWDAPHPMMKY-MRXNPFEDSA-N 1 0 350.459 2.768 20 10 FFCDRO CCOC(=O)C1CCN(C2CC[NH+](Cc3cc(C)ccc3O)CC2)CC1 ZINC001140619855 1035742238 /nfs/dbraw/zinc/74/22/38/1035742238.db2.gz RWWBFFBJPDPANK-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)c1 ZINC001140620235 1035745276 /nfs/dbraw/zinc/74/52/76/1035745276.db2.gz HDMRAFNXIWUWTJ-RIFZZMRRSA-N 1 0 370.449 2.561 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)c1 ZINC001140620099 1035746303 /nfs/dbraw/zinc/74/63/03/1035746303.db2.gz CHIDXBBVAGMNEG-GGPKGHCWSA-N 1 0 358.482 2.550 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001140744774 1036034793 /nfs/dbraw/zinc/03/47/93/1036034793.db2.gz LGBRRUGFGSQJQH-UWJYYQICSA-N 1 0 352.434 2.512 20 10 FFCDRO CO[C@H](CN1CC[NH+](Cc2ccc(O)c(C)c2O)CC1)c1ccccc1 ZINC001140747626 1036045679 /nfs/dbraw/zinc/04/56/79/1036045679.db2.gz GTOKOIGCFGPMLE-HXUWFJFHSA-N 1 0 356.466 2.912 20 10 FFCDRO CN(C)c1ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c(O)c1 ZINC001232837469 1036090317 /nfs/dbraw/zinc/09/03/17/1036090317.db2.gz IEJJAKLAGSAHQX-IRXDYDNUSA-N 1 0 371.506 2.724 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001232838870 1036096030 /nfs/dbraw/zinc/09/60/30/1036096030.db2.gz NGECUDQHEHBTRB-QUCCMNQESA-N 1 0 366.509 2.807 20 10 FFCDRO CO[C@@H](CN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1)c1ccccc1 ZINC001232841034 1036096566 /nfs/dbraw/zinc/09/65/66/1036096566.db2.gz QEPBRBBUOTVNRP-QFIPXVFZSA-N 1 0 369.509 2.964 20 10 FFCDRO C[N@H+](CCF)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC001232983194 1036216891 /nfs/dbraw/zinc/21/68/91/1036216891.db2.gz AVLWDHNRONEVBI-UHFFFAOYSA-N 1 0 367.465 2.851 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233013390 1036248916 /nfs/dbraw/zinc/24/89/16/1036248916.db2.gz WJVJHASDPOEKAS-RXVVDRJESA-N 1 0 374.481 2.949 20 10 FFCDRO Oc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(O)c1O ZINC001233014747 1036250735 /nfs/dbraw/zinc/25/07/35/1036250735.db2.gz ABTIRHAQGNPUEY-ZWKOTPCHSA-N 1 0 354.450 2.757 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC12CC2 ZINC001233111709 1036354438 /nfs/dbraw/zinc/35/44/38/1036354438.db2.gz UQAJAUYXSCJQRK-ZDUSSCGKSA-N 1 0 354.244 2.848 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001233110091 1036355305 /nfs/dbraw/zinc/35/53/05/1036355305.db2.gz SERTYHSJEFVGNH-UHFFFAOYSA-N 1 0 351.248 2.892 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](C3CCC3)CC2)cc1Br ZINC001233135383 1036386328 /nfs/dbraw/zinc/38/63/28/1036386328.db2.gz RQOLBNVFQFEJHD-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc1Br ZINC001233142011 1036392673 /nfs/dbraw/zinc/39/26/73/1036392673.db2.gz PIWFTNIMARTDEG-INIZCTEOSA-N 1 0 370.243 2.835 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3CC[C@H]4[C@@H]3CC[N@@H+]4C)cs2)cc1 ZINC001277346667 1036444963 /nfs/dbraw/zinc/44/49/63/1036444963.db2.gz NEGABYJKHMCSHO-IRXDYDNUSA-N 1 0 356.495 2.795 20 10 FFCDRO CC(=O)N1CCC2(CC1)C[N@H+](Cc1cc(C(C)(C)C)ccc1O)CCO2 ZINC001233285142 1036493331 /nfs/dbraw/zinc/49/33/31/1036493331.db2.gz USJQHRMASDQNHC-UHFFFAOYSA-N 1 0 360.498 2.903 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)c1 ZINC001233284958 1036493446 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OOLCSEIVJLCUHH-OCCSQVGLSA-N 1 0 364.442 2.635 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)cc1O ZINC001233485723 1036653571 /nfs/dbraw/zinc/65/35/71/1036653571.db2.gz IOISQTLQWPXRKR-QMMMGPOBSA-N 1 0 359.304 2.585 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cc1O ZINC001233484195 1036653887 /nfs/dbraw/zinc/65/38/87/1036653887.db2.gz AZNCKUXEMRRZMY-QRWLVFNGSA-N 1 0 356.422 2.880 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)[C@@H]1c1ccccc1 ZINC001233484491 1036654065 /nfs/dbraw/zinc/65/40/65/1036654065.db2.gz MEKMDQOUJBAWPM-IBGZPJMESA-N 1 0 368.433 2.599 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141028449 1036767804 /nfs/dbraw/zinc/76/78/04/1036767804.db2.gz OYXPZEKKUWRFIZ-ZDUSSCGKSA-N 1 0 366.458 2.851 20 10 FFCDRO COc1cc(O)c(CN2CCC([NH+]3CCC(F)CC3)CC2)c(OC)c1 ZINC001141029547 1036769835 /nfs/dbraw/zinc/76/98/35/1036769835.db2.gz VKWBIJMOBUAHEP-UHFFFAOYSA-N 1 0 352.450 2.808 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCOC)C3)c(O)c1 ZINC001277827712 1036892531 /nfs/dbraw/zinc/89/25/31/1036892531.db2.gz YLASKTXXIGJSIP-NRFANRHFSA-N 1 0 360.498 2.948 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4[C@H](CCC(=O)N4C)C3)c2c1 ZINC001234577493 1037098872 /nfs/dbraw/zinc/09/88/72/1037098872.db2.gz FFTCIABWFZTKMX-DNVCBOLYSA-N 1 0 354.450 2.997 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2[O-])C1=O ZINC001277509112 1037546917 /nfs/dbraw/zinc/54/69/17/1037546917.db2.gz AOPKCLJSJHBXSX-GOSISDBHSA-N 1 0 370.852 2.788 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CC[NH2+]C[C@H]2C(C)C)c(O)c1 ZINC001235460348 1037561583 /nfs/dbraw/zinc/56/15/83/1037561583.db2.gz YAZYHJSHXKDYOT-SFHVURJKSA-N 1 0 364.486 2.544 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)c2ccccc21 ZINC001235699603 1037696264 /nfs/dbraw/zinc/69/62/64/1037696264.db2.gz QJXNIJYSJPVADJ-UHFFFAOYSA-N 1 0 352.526 2.775 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)Cc2nnn(C)c21 ZINC001231587499 1037707689 /nfs/dbraw/zinc/70/76/89/1037707689.db2.gz LUFHSHLWTYYDEZ-OAHLLOKOSA-N 1 0 352.438 2.810 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)c1O ZINC001231592799 1037711178 /nfs/dbraw/zinc/71/11/78/1037711178.db2.gz PWCMWCPUUOLSAT-KNQAVFIVSA-N 1 0 372.509 2.942 20 10 FFCDRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccc(C)c2O)cs1 ZINC001231593882 1037714917 /nfs/dbraw/zinc/71/49/17/1037714917.db2.gz WELVCKXXWHHLNG-DLBZAZTESA-N 1 0 357.479 2.841 20 10 FFCDRO Fc1ccccc1[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001235740013 1037718236 /nfs/dbraw/zinc/71/82/36/1037718236.db2.gz AWSCNBODXMFFSF-OAQYLSRUSA-N 1 0 355.457 2.809 20 10 FFCDRO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(O)cc1O ZINC001231634462 1037754098 /nfs/dbraw/zinc/75/40/98/1037754098.db2.gz NJQCDVFTALIJDZ-ZDUSSCGKSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(O)cc1O ZINC001231633897 1037756200 /nfs/dbraw/zinc/75/62/00/1037756200.db2.gz CJYNYNSUDFKCKU-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1cc(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)c(O)cc1O ZINC001231636724 1037759080 /nfs/dbraw/zinc/75/90/80/1037759080.db2.gz UVBGNEFIMPNXLJ-UHFFFAOYSA-N 1 0 368.433 2.660 20 10 FFCDRO COc1cc(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)c(O)cc1O ZINC001231640116 1037766244 /nfs/dbraw/zinc/76/62/44/1037766244.db2.gz OUQXMNLPPVFTHO-UHFFFAOYSA-N 1 0 370.449 2.843 20 10 FFCDRO COC(=O)C[C@@H]1C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001235850511 1037792178 /nfs/dbraw/zinc/79/21/78/1037792178.db2.gz ZTJSSCIKJSPLQE-GOSISDBHSA-N 1 0 358.413 2.535 20 10 FFCDRO COCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)C1=O ZINC001277975028 1037806264 /nfs/dbraw/zinc/80/62/64/1037806264.db2.gz BVUOYUSBLLIVLE-OAQYLSRUSA-N 1 0 360.498 2.977 20 10 FFCDRO COC(=O)[C@H](N)C1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001236067800 1037911721 /nfs/dbraw/zinc/91/17/21/1037911721.db2.gz PYKVRYSBMQCPNH-HXUWFJFHSA-N 1 0 355.482 2.806 20 10 FFCDRO Fc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001236126305 1037941569 /nfs/dbraw/zinc/94/15/69/1037941569.db2.gz UMTLFEKKJQNUQP-NRFANRHFSA-N 1 0 355.457 2.809 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c(O)c1 ZINC001231844969 1037944026 /nfs/dbraw/zinc/94/40/26/1037944026.db2.gz UMGORSLVFJBLQW-XKGZKEIXSA-N 1 0 358.482 2.515 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CCN(c3ccnc(N4CCCC4)n3)CC2)c(O)c1 ZINC001231848049 1037945926 /nfs/dbraw/zinc/94/59/26/1037945926.db2.gz HDTZXUPLAFVQFF-UHFFFAOYSA-N 1 0 367.497 2.721 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 ZINC001231850912 1037946294 /nfs/dbraw/zinc/94/62/94/1037946294.db2.gz WIORIWBNWAJDAF-UHFFFAOYSA-N 1 0 374.506 2.906 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](Oc2cc(C)ncn2)C1 ZINC001231854215 1037952027 /nfs/dbraw/zinc/95/20/27/1037952027.db2.gz BBYJCTKEOGKNIM-SFHVURJKSA-N 1 0 356.470 2.903 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001231857646 1037955851 /nfs/dbraw/zinc/95/58/51/1037955851.db2.gz MARVQGKTPYIUFD-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)cc1Cl ZINC001231869892 1037964181 /nfs/dbraw/zinc/96/41/81/1037964181.db2.gz ZFAKHIYPPXLWFH-LJQANCHMSA-N 1 0 372.856 2.773 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2ccc4ccccc4c2O)C3)n1 ZINC001231878235 1037970793 /nfs/dbraw/zinc/97/07/93/1037970793.db2.gz HFOBXOUXVLFBOF-OXQOHEQNSA-N 1 0 351.406 2.637 20 10 FFCDRO CNC(=O)CN1CCCC12CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC001231878063 1037972185 /nfs/dbraw/zinc/97/21/85/1037972185.db2.gz DPIHJBNIOMMAJO-UHFFFAOYSA-N 1 0 367.493 2.722 20 10 FFCDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C1 ZINC001255494874 1037973443 /nfs/dbraw/zinc/97/34/43/1037973443.db2.gz WTQCSSIIJHYSOF-NRFANRHFSA-N 1 0 366.509 2.877 20 10 FFCDRO COc1ccc(Br)c(CN(C2CC2)[C@H]2CCC[NH2+]C2)c1O ZINC001236238671 1038000878 /nfs/dbraw/zinc/00/08/78/1038000878.db2.gz BHFTVQFYTLADDB-LBPRGKRZSA-N 1 0 355.276 2.880 20 10 FFCDRO CCCN(Cc1cccc(I)c1O)[C@H]1CC[NH2+]C1 ZINC001236323880 1038044825 /nfs/dbraw/zinc/04/48/25/1038044825.db2.gz MEDOMURSQZMUDT-LBPRGKRZSA-N 1 0 360.239 2.571 20 10 FFCDRO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001276557596 1038064279 /nfs/dbraw/zinc/06/42/79/1038064279.db2.gz MSVJEFVIZWUZHV-HXUWFJFHSA-N 1 0 360.454 2.561 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OCC(F)(F)F)cc1O)CC2 ZINC001277982655 1038072777 /nfs/dbraw/zinc/07/27/77/1038072777.db2.gz BOTZKMPLELLDQD-AWEZNQCLSA-N 1 0 372.387 2.681 20 10 FFCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC[C@@H]1[NH3+] ZINC001236416218 1038078388 /nfs/dbraw/zinc/07/83/88/1038078388.db2.gz SFPIYMMOHOIEMF-WFASDCNBSA-N 1 0 354.878 2.665 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3[C@@H](C)CNCC3(F)F)CC2)cc1 ZINC001236433842 1038086964 /nfs/dbraw/zinc/08/69/64/1038086964.db2.gz MIEVKOVIJAWAIU-YJBOKZPZSA-N 1 0 353.457 2.698 20 10 FFCDRO COc1ccc(N2CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)c(OC)c1 ZINC001232018247 1038111570 /nfs/dbraw/zinc/11/15/70/1038111570.db2.gz HPHYAHKAKQJWME-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC001236750774 1038234671 /nfs/dbraw/zinc/23/46/71/1038234671.db2.gz JXPOCQFKLSEQQY-FOIQADDNSA-N 1 0 365.470 2.817 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)[C@H]1C ZINC001236752697 1038237902 /nfs/dbraw/zinc/23/79/02/1038237902.db2.gz FHEHYNALGCIUPH-CMPLNLGQSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)nc1 ZINC001236753047 1038240929 /nfs/dbraw/zinc/24/09/29/1038240929.db2.gz GFVSEARLSMBGMB-INIZCTEOSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)cc1OC ZINC001236755088 1038243655 /nfs/dbraw/zinc/24/36/55/1038243655.db2.gz YPNPFVRKCPDARG-INIZCTEOSA-N 1 0 368.433 2.640 20 10 FFCDRO CCc1ccc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001236786065 1038265841 /nfs/dbraw/zinc/26/58/41/1038265841.db2.gz CQEDKBCTEFJIQG-RTWAWAEBSA-N 1 0 367.493 2.825 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c(O)c1 ZINC001236788829 1038270911 /nfs/dbraw/zinc/27/09/11/1038270911.db2.gz PHDZGSCNCHMRLP-LJQANCHMSA-N 1 0 372.509 2.806 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c(O)c1 ZINC001236811500 1038285940 /nfs/dbraw/zinc/28/59/40/1038285940.db2.gz PWSOCBXFCRSROV-PHZGNYQRSA-N 1 0 358.482 2.836 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc(-n4cncn4)c3)CC2)c(C)c1 ZINC001236890216 1038332746 /nfs/dbraw/zinc/33/27/46/1038332746.db2.gz QKQKSSWUHNHTNC-UHFFFAOYSA-N 1 0 363.465 2.907 20 10 FFCDRO Clc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC001236924708 1038358761 /nfs/dbraw/zinc/35/87/61/1038358761.db2.gz OOMUJSRKHYPBPR-UHFFFAOYSA-N 1 0 352.862 2.516 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236929636 1038361391 /nfs/dbraw/zinc/36/13/91/1038361391.db2.gz HSPCAYNHVGBDOA-HNNXBMFYSA-N 1 0 366.889 2.952 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)[C@@H]4CCCC[C@@H]43)c(F)c2)CC1 ZINC001236933413 1038365234 /nfs/dbraw/zinc/36/52/34/1038365234.db2.gz WQINNLUOJRYNJN-QUCCMNQESA-N 1 0 359.489 2.911 20 10 FFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932641 1038365658 /nfs/dbraw/zinc/36/56/58/1038365658.db2.gz XUDMQZJZBXVSHE-SFHVURJKSA-N 1 0 365.905 2.619 20 10 FFCDRO CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001278043606 1038413970 /nfs/dbraw/zinc/41/39/70/1038413970.db2.gz KXVQQRVJZTXTHP-UHFFFAOYSA-N 1 0 362.470 2.664 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c(O)c1 ZINC001237048658 1038423832 /nfs/dbraw/zinc/42/38/32/1038423832.db2.gz MOPXRKFPMLGGBR-RLLQIKCJSA-N 1 0 358.482 2.774 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001237057920 1038426784 /nfs/dbraw/zinc/42/67/84/1038426784.db2.gz GPHYEGKFQGFJPX-UHFFFAOYSA-N 1 0 362.367 2.951 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001237063419 1038430436 /nfs/dbraw/zinc/43/04/36/1038430436.db2.gz QDCWEZKXUIZNQY-AWEZNQCLSA-N 1 0 369.343 2.777 20 10 FFCDRO C[C@@H]1c2cccn2CCN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256232077 1038441489 /nfs/dbraw/zinc/44/14/89/1038441489.db2.gz JLBYIEFERNOLEX-OXQOHEQNSA-N 1 0 369.513 2.943 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001237111509 1038446550 /nfs/dbraw/zinc/44/65/50/1038446550.db2.gz QCHHDBWAPBKURB-CYBMUJFWSA-N 1 0 360.376 2.587 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)C1=O ZINC001237122554 1038449423 /nfs/dbraw/zinc/44/94/23/1038449423.db2.gz VUQOLFYYMHFTQN-UHFFFAOYSA-N 1 0 370.852 2.646 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)n1 ZINC001237143712 1038454757 /nfs/dbraw/zinc/45/47/57/1038454757.db2.gz MHHZKLAWHUTSQV-ZDUSSCGKSA-N 1 0 369.343 2.863 20 10 FFCDRO CC(C)(C)OC(=O)N1C(CN2CCc3cccc(O)c3C2)=CS[C@@H]1N ZINC001208664261 1038476918 /nfs/dbraw/zinc/47/69/18/1038476918.db2.gz RSVBKZFECZBJJP-MRXNPFEDSA-N 1 0 363.483 2.818 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001256448997 1038517289 /nfs/dbraw/zinc/51/72/89/1038517289.db2.gz VSXXRHGUJXUYSQ-SUYBPPKGSA-N 1 0 366.458 2.509 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001256521037 1038541623 /nfs/dbraw/zinc/54/16/23/1038541623.db2.gz XNNOWYHZQMBZDO-FYINFDKHSA-N 1 0 356.466 2.774 20 10 FFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208986518 1038619113 /nfs/dbraw/zinc/61/91/13/1038619113.db2.gz JMJMUFWJCJQQBC-MRXNPFEDSA-N 1 0 350.459 2.850 20 10 FFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(O)c2)cc1 ZINC001257141725 1038722461 /nfs/dbraw/zinc/72/24/61/1038722461.db2.gz GDTOBDJOEDPVMM-ORAYPTAESA-N 1 0 359.422 2.529 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC001251347458 1039081568 /nfs/dbraw/zinc/08/15/68/1039081568.db2.gz OKDJOFURSOYKCW-FQEVSTJZSA-N 1 0 364.486 2.855 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)cc1C ZINC001251347459 1039082076 /nfs/dbraw/zinc/08/20/76/1039082076.db2.gz OKDJOFURSOYKCW-HXUWFJFHSA-N 1 0 364.486 2.855 20 10 FFCDRO CC[N@H+](Cc1ccccc1O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251409821 1039116572 /nfs/dbraw/zinc/11/65/72/1039116572.db2.gz LKRKXGAOUBTDRE-LJQANCHMSA-N 1 0 350.459 2.586 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)[NH+](C)C)cc1 ZINC001251500562 1039158072 /nfs/dbraw/zinc/15/80/72/1039158072.db2.gz HDPRFCYWDYAAKC-IKGGRYGDSA-N 1 0 366.456 2.652 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)[NH+](C)C)cc1 ZINC001251500557 1039158088 /nfs/dbraw/zinc/15/80/88/1039158088.db2.gz HDPRFCYWDYAAKC-BBWFWOEESA-N 1 0 366.456 2.652 20 10 FFCDRO Oc1cc(O)c(CC[NH2+]C2CCN(CCc3ccccc3)CC2)cc1O ZINC001258135256 1039213145 /nfs/dbraw/zinc/21/31/45/1039213145.db2.gz WTHCFZZVUWEWBU-UHFFFAOYSA-N 1 0 356.466 2.643 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC(F)(F)F)C3=O)C2)c1O ZINC001276683600 1039528199 /nfs/dbraw/zinc/52/81/99/1039528199.db2.gz NOFCSDJMTDAHML-KRWDZBQOSA-N 1 0 370.371 2.604 20 10 FFCDRO CCC[C@H](O)C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001252781968 1039701752 /nfs/dbraw/zinc/70/17/52/1039701752.db2.gz YTHPYVMDUGRXMO-FPOVZHCZSA-N 1 0 362.514 2.775 20 10 FFCDRO Cc1cc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)ccc1N(C)C ZINC001278687175 1039779481 /nfs/dbraw/zinc/77/94/81/1039779481.db2.gz RAYOHLNAFQPYBH-UHFFFAOYSA-N 1 0 353.514 2.882 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H](O)CCOCc1ccccc1)CCC2 ZINC001253278424 1040093526 /nfs/dbraw/zinc/09/35/26/1040093526.db2.gz BKGDLCIWPHHBTM-LJQANCHMSA-N 1 0 357.450 2.814 20 10 FFCDRO O=C(Cc1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001278746343 1040442464 /nfs/dbraw/zinc/44/24/64/1040442464.db2.gz TUUCRTFZMDJNIJ-IYBDPMFKSA-N 1 0 358.463 2.577 20 10 FFCDRO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249177649 1040617388 /nfs/dbraw/zinc/61/73/88/1040617388.db2.gz HLYNVOARTBMXSC-HXUWFJFHSA-N 1 0 363.454 2.663 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCN(c4ccncn4)CC3)ccc2O1 ZINC001249252011 1040654957 /nfs/dbraw/zinc/65/49/57/1040654957.db2.gz FEQQNGNIISJVOA-UHFFFAOYSA-N 1 0 352.438 2.689 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001249735320 1040967824 /nfs/dbraw/zinc/96/78/24/1040967824.db2.gz JJYZIGAYZQLBLO-FQEVSTJZSA-N 1 0 363.454 2.869 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)CC2(C)COC2)c(O)c1 ZINC001249737437 1040973698 /nfs/dbraw/zinc/97/36/98/1040973698.db2.gz IRWLOEZAQFVOFZ-UHFFFAOYSA-N 1 0 351.443 2.583 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC001254809982 1040974153 /nfs/dbraw/zinc/97/41/53/1040974153.db2.gz QSGZYGHNWADNIL-QGZVFWFLSA-N 1 0 374.481 2.880 20 10 FFCDRO O=C(NCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001278552415 1041117787 /nfs/dbraw/zinc/11/77/87/1041117787.db2.gz TWVXIFVZTZRFHK-KRWDZBQOSA-N 1 0 371.403 2.952 20 10 FFCDRO O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(Cl)cc2O)[nH]1 ZINC001278554143 1041130689 /nfs/dbraw/zinc/13/06/89/1041130689.db2.gz NJDPYQYSDZNNQS-CALCHBBNSA-N 1 0 359.857 2.995 20 10 FFCDRO CN(C)CC[N@@H+]1CCC2(CN(Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC001278560697 1041167083 /nfs/dbraw/zinc/16/70/83/1041167083.db2.gz IULTZZOZXPLSDL-UHFFFAOYSA-N 1 0 358.313 2.768 20 10 FFCDRO COCCOCN1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001278569489 1041212661 /nfs/dbraw/zinc/21/26/61/1041212661.db2.gz YOCZFSZVKXXNRN-UHFFFAOYSA-N 1 0 368.905 2.954 20 10 FFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001278605733 1041393274 /nfs/dbraw/zinc/39/32/74/1041393274.db2.gz IUCYWSSSSAZEAC-FQEVSTJZSA-N 1 0 367.484 2.910 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001279140784 1042916026 /nfs/dbraw/zinc/91/60/26/1042916026.db2.gz KEFDQQMOGHNJGJ-OKZBNKHCSA-N 1 0 354.450 2.653 20 10 FFCDRO COCCOCN1CCC2(C1)CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001279149412 1042920307 /nfs/dbraw/zinc/92/03/07/1042920307.db2.gz GSROSNIAONLNNG-UHFFFAOYSA-N 1 0 361.530 2.661 20 10 FFCDRO O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001279196962 1042941506 /nfs/dbraw/zinc/94/15/06/1042941506.db2.gz FPETYOCJFNDIPD-GUYCJALGSA-N 1 0 356.401 2.665 20 10 FFCDRO Cc1ccccc1C[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237205148 1043052226 /nfs/dbraw/zinc/05/22/26/1043052226.db2.gz GKCARFPXMFQFCN-UHFFFAOYSA-N 1 0 358.507 2.862 20 10 FFCDRO CCn1ccnc1CN1CC2(C1)CCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001279422184 1043096450 /nfs/dbraw/zinc/09/64/50/1043096450.db2.gz ZZOVQAOTLVPGER-UHFFFAOYSA-N 1 0 358.461 2.846 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237382666 1043129769 /nfs/dbraw/zinc/12/97/69/1043129769.db2.gz MQBPPMGRBWEKBX-FZMZJTMJSA-N 1 0 355.276 2.737 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(O)cccc2Cl)c1 ZINC001237444024 1043169567 /nfs/dbraw/zinc/16/95/67/1043169567.db2.gz NTIVYAIFZZNDFI-KRWDZBQOSA-N 1 0 360.841 2.979 20 10 FFCDRO CCc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(C(=O)OC)c2)c(O)c1 ZINC001237456547 1043177247 /nfs/dbraw/zinc/17/72/47/1043177247.db2.gz RQLGRUQVTAJWFP-LJQANCHMSA-N 1 0 354.450 2.888 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCCC3)[C@@H]2C1 ZINC001237487571 1043200228 /nfs/dbraw/zinc/20/02/28/1043200228.db2.gz BKHBEIFUFCTGRC-SLYNCCJLSA-N 1 0 372.509 2.986 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001237488832 1043203105 /nfs/dbraw/zinc/20/31/05/1043203105.db2.gz RTQOZMLHHXXNTJ-MRXNPFEDSA-N 1 0 358.482 2.740 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC001237488056 1043203664 /nfs/dbraw/zinc/20/36/64/1043203664.db2.gz QBFNLIOQZBQSNQ-XLIONFOSSA-N 1 0 364.445 2.850 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)cc1Br ZINC001237685069 1043311784 /nfs/dbraw/zinc/31/17/84/1043311784.db2.gz NBMQGWHSAKHLGN-WFASDCNBSA-N 1 0 367.287 2.906 20 10 FFCDRO C[NH+]1CCC(C[NH+]2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)CC1 ZINC001237804233 1043368139 /nfs/dbraw/zinc/36/81/39/1043368139.db2.gz ZEPCJBXNAAIHGR-UHFFFAOYSA-N 1 0 355.885 2.644 20 10 FFCDRO [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC001237812124 1043374100 /nfs/dbraw/zinc/37/41/00/1043374100.db2.gz DRZBZLNWYBRCDR-UHFFFAOYSA-N 1 0 372.277 2.942 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3OCCN(Cc4scnc4C)[C@H]3C2)c(O)c1 ZINC001279663859 1043425759 /nfs/dbraw/zinc/42/57/59/1043425759.db2.gz IFDHQKQVJSOPLL-HKUYNNGSSA-N 1 0 373.522 2.805 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c(Cl)c1 ZINC001279664671 1043427520 /nfs/dbraw/zinc/42/75/20/1043427520.db2.gz DZIGPSFAJDZRSH-IRXDYDNUSA-N 1 0 362.861 2.626 20 10 FFCDRO CCOc1ccc(N2CCC3(CCC[N@H+](CC(=O)N(C)C)C3)CC2)cc1 ZINC001279731301 1043546515 /nfs/dbraw/zinc/54/65/15/1043546515.db2.gz DQDXPKGBRGAECP-UHFFFAOYSA-N 1 0 359.514 2.856 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)cc1 ZINC001279743736 1043572162 /nfs/dbraw/zinc/57/21/62/1043572162.db2.gz MVQGBTSFUGBTKR-IBGZPJMESA-N 1 0 357.498 2.909 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C23CC(C(=O)NCC(F)F)(C2)C3)cc1 ZINC001279743468 1043572394 /nfs/dbraw/zinc/57/23/94/1043572394.db2.gz KQSRQEAVUCRTKG-UHFFFAOYSA-N 1 0 351.441 2.926 20 10 FFCDRO C[C@@H](NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1)[C@H]1C[NH2+]CCO1 ZINC001238623476 1043794115 /nfs/dbraw/zinc/79/41/15/1043794115.db2.gz AUTAQJLTMQGONI-PFJLVBMKSA-N 1 0 374.466 2.757 20 10 FFCDRO O=C(Nc1cn[nH]c1)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279982007 1044031595 /nfs/dbraw/zinc/03/15/95/1044031595.db2.gz LYOLDHROOCJEES-DPIQGUFMSA-N 1 0 360.845 2.865 20 10 FFCDRO O=C(NCc1c[nH]cn1)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001279982989 1044033444 /nfs/dbraw/zinc/03/34/44/1044033444.db2.gz BZKSXOINHKFZIT-MRXNPFEDSA-N 1 0 374.872 2.687 20 10 FFCDRO O=C(NCc1c[nH]cn1)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279983750 1044036354 /nfs/dbraw/zinc/03/63/54/1044036354.db2.gz PZUSERHVEMLQJZ-IVWMJMPLSA-N 1 0 374.872 2.543 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N(C)C)c(O)c1 ZINC001280034666 1044112845 /nfs/dbraw/zinc/11/28/45/1044112845.db2.gz CWSYPLAVQKYYEQ-VVVONTASSA-N 1 0 359.514 2.831 20 10 FFCDRO CN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O)C1CC(F)(F)C1 ZINC001280298742 1044564994 /nfs/dbraw/zinc/56/49/94/1044564994.db2.gz SSNZXASEBXJDRF-XIKOKIGWSA-N 1 0 354.372 2.752 20 10 FFCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001280313097 1044588455 /nfs/dbraw/zinc/58/84/55/1044588455.db2.gz PUXYIZRHRKGWAP-WBMJQRKESA-N 1 0 353.260 2.632 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)NCC(F)F)c1O ZINC001280345624 1044634143 /nfs/dbraw/zinc/63/41/43/1044634143.db2.gz BCDICOLZRUMLKM-CQSZACIVSA-N 1 0 370.465 2.698 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(F)(C3CC3)C2)c1O ZINC001280349863 1044640008 /nfs/dbraw/zinc/64/00/08/1044640008.db2.gz WEVGZZBKTBVYOH-HRAATJIYSA-N 1 0 358.457 2.934 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn2c1 ZINC001539235559 1070594085 /nfs/dbraw/zinc/59/40/85/1070594085.db2.gz LTAHDAZFFRYMKE-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO Cc1ccc(C[N@@H+](CCO)Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001320022062 1045329840 /nfs/dbraw/zinc/32/98/40/1045329840.db2.gz FICCLCXHFHAPTR-UHFFFAOYSA-N 1 0 371.500 2.880 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC001320131521 1045354398 /nfs/dbraw/zinc/35/43/98/1045354398.db2.gz TUDLHNBDCWSHGY-DOTOQJQBSA-N 1 0 374.506 2.958 20 10 FFCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320607804 1045436226 /nfs/dbraw/zinc/43/62/26/1045436226.db2.gz JLKNZINPZYUMTE-FQEVSTJZSA-N 1 0 371.500 2.579 20 10 FFCDRO Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc2c[nH+]cn21 ZINC001320690630 1045449708 /nfs/dbraw/zinc/44/97/08/1045449708.db2.gz IZYKMZDLYIBNOZ-UHFFFAOYSA-N 1 0 368.412 2.548 20 10 FFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC001321979962 1045900702 /nfs/dbraw/zinc/90/07/02/1045900702.db2.gz MXMSWTKBHXMXHE-UONOGXRCSA-N 1 0 370.291 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4ncccc4c3)cc2)CC1 ZINC001288334907 1047449146 /nfs/dbraw/zinc/44/91/46/1047449146.db2.gz TWWMYTWLBMQYAZ-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO CSc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1 ZINC001289599640 1047707320 /nfs/dbraw/zinc/70/73/20/1047707320.db2.gz HRXGIUBKMGAOOM-KRWDZBQOSA-N 1 0 358.511 2.902 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2F)CC1 ZINC001331966694 1048190044 /nfs/dbraw/zinc/19/00/44/1048190044.db2.gz UCQXRRYOOWFPRB-NQIIRXRSSA-N 1 0 361.505 2.872 20 10 FFCDRO CC(C)n1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001333013629 1048671624 /nfs/dbraw/zinc/67/16/24/1048671624.db2.gz ONNWGWZYNNPDIH-SFHVURJKSA-N 1 0 358.490 2.954 20 10 FFCDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000738441020 1048685482 /nfs/dbraw/zinc/68/54/82/1048685482.db2.gz YLVMDAAZXXFNLG-JKSUJKDBSA-N 1 0 360.458 2.719 20 10 FFCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@@H]2C1 ZINC001333312061 1048826799 /nfs/dbraw/zinc/82/67/99/1048826799.db2.gz IUMBCLLHDAYKRE-GASCZTMLSA-N 1 0 354.450 2.927 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2F)CC1 ZINC001330427253 1049162848 /nfs/dbraw/zinc/16/28/48/1049162848.db2.gz XESIYBOZJSNWTQ-KZNAEPCWSA-N 1 0 374.504 2.955 20 10 FFCDRO CCOC(=O)CN(Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1O ZINC001330809624 1049339777 /nfs/dbraw/zinc/33/97/77/1049339777.db2.gz XAOACCPSRGOVIR-UHFFFAOYSA-N 1 0 366.421 2.538 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C(C)C)[nH]3)cc2F)CC1 ZINC001339779670 1050200540 /nfs/dbraw/zinc/20/05/40/1050200540.db2.gz JTEZZOLMDMRVGY-UHFFFAOYSA-N 1 0 373.476 2.744 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3C[NH2+]CCC34CCC4)CC2)cc1 ZINC001341586586 1050213837 /nfs/dbraw/zinc/21/38/37/1050213837.db2.gz YGHUAZKAGSTYFL-IBGZPJMESA-N 1 0 357.498 2.560 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)CC1 ZINC001303084320 1051273460 /nfs/dbraw/zinc/27/34/60/1051273460.db2.gz FKYTVLMSFSMOPD-UHFFFAOYSA-N 1 0 371.456 2.663 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CN(C)c2ccccc2)[NH+](C)C)cc1 ZINC001304768043 1051690407 /nfs/dbraw/zinc/69/04/07/1051690407.db2.gz KLFUQPBXVTZNJP-HXUWFJFHSA-N 1 0 354.498 2.608 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC001307500763 1052315236 /nfs/dbraw/zinc/31/52/36/1052315236.db2.gz FTHUARPHXLQXNO-MRXNPFEDSA-N 1 0 352.475 2.880 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001308233207 1052434961 /nfs/dbraw/zinc/43/49/61/1052434961.db2.gz CEFWENFYZKJAMG-UHFFFAOYSA-N 1 0 361.436 2.885 20 10 FFCDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001308298972 1052443514 /nfs/dbraw/zinc/44/35/14/1052443514.db2.gz ZVCKFJXQIZKFJJ-INIZCTEOSA-N 1 0 350.459 2.855 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC001308543010 1052466639 /nfs/dbraw/zinc/46/66/39/1052466639.db2.gz FUHFSGJOWZUZSQ-DJABAAGCSA-N 1 0 361.530 2.923 20 10 FFCDRO COC(=O)C1([C@@]2(O)CCC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)CCC1 ZINC001308955783 1052527256 /nfs/dbraw/zinc/52/72/56/1052527256.db2.gz ZVLDBERVYLJKOJ-VWTGBZJHSA-N 1 0 372.509 2.936 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c(O)c1OC ZINC001335468438 1053383063 /nfs/dbraw/zinc/38/30/63/1053383063.db2.gz ZKICWMFIPORBGY-GOSISDBHSA-N 1 0 353.365 2.685 20 10 FFCDRO CO[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001335847571 1053599768 /nfs/dbraw/zinc/59/97/68/1053599768.db2.gz OIHCLNACZOBUSR-SFTDATJTSA-N 1 0 371.525 2.650 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001337798127 1055023403 /nfs/dbraw/zinc/02/34/03/1055023403.db2.gz DKOPWEAQUAXADN-IHRRRGAJSA-N 1 0 352.500 2.980 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)c1O ZINC000848893815 1055314446 /nfs/dbraw/zinc/31/44/46/1055314446.db2.gz CVZLWAHUXDAQSH-UHFFFAOYSA-N 1 0 367.493 2.913 20 10 FFCDRO Cc1cc(N)cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001357484584 1055921328 /nfs/dbraw/zinc/92/13/28/1055921328.db2.gz SLTCKRZSCGDGOX-HXUWFJFHSA-N 1 0 369.513 2.745 20 10 FFCDRO CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001350777034 1055935572 /nfs/dbraw/zinc/93/55/72/1055935572.db2.gz TWOMUUDBNVFQJG-UHFFFAOYSA-N 1 0 365.393 2.777 20 10 FFCDRO Oc1cccc(Br)c1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001351328939 1056201074 /nfs/dbraw/zinc/20/10/74/1056201074.db2.gz GMLWTKNUSTXUAT-DOTOQJQBSA-N 1 0 369.303 2.622 20 10 FFCDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC001351351898 1056215330 /nfs/dbraw/zinc/21/53/30/1056215330.db2.gz LDTHGQOTSJBXIX-HNNXBMFYSA-N 1 0 359.445 2.959 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1F ZINC001351508880 1056299208 /nfs/dbraw/zinc/29/92/08/1056299208.db2.gz VVPKGMRFUIKVQM-HNAYVOBHSA-N 1 0 350.409 2.605 20 10 FFCDRO CN(C)Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC001446562321 1058528470 /nfs/dbraw/zinc/52/84/70/1058528470.db2.gz BXKUMPBVZHMHIZ-INIZCTEOSA-N 1 0 358.438 2.868 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2c(Cl)cncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001458685951 1060648395 /nfs/dbraw/zinc/64/83/95/1060648395.db2.gz YWNMDGYSMFZVCO-HNNXBMFYSA-N 1 0 363.849 2.846 20 10 FFCDRO CCC(CC)CS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001475766189 1061259559 /nfs/dbraw/zinc/25/95/59/1061259559.db2.gz OQPJIVZUPTWYPE-GOSISDBHSA-N 1 0 355.548 2.711 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC001461363650 1061299448 /nfs/dbraw/zinc/29/94/48/1061299448.db2.gz JSQRHKHKHVNPNO-JTSKRJEESA-N 1 0 371.500 2.659 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1O ZINC001461991834 1061473929 /nfs/dbraw/zinc/47/39/29/1061473929.db2.gz HFFDSHVOKVGERU-CYBMUJFWSA-N 1 0 366.820 2.627 20 10 FFCDRO C[C@H]1[C@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@@H+]1C ZINC001476769048 1061475659 /nfs/dbraw/zinc/47/56/59/1061475659.db2.gz YVADZATWEKSPHH-UONOGXRCSA-N 1 0 350.426 2.610 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(O)c1 ZINC001462231304 1061546975 /nfs/dbraw/zinc/54/69/75/1061546975.db2.gz CRACGOVTWYBMDK-STQMWFEESA-N 1 0 372.387 2.552 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N(C)C)c(F)c2)[NH+](C)C)cc1 ZINC001463279515 1062030327 /nfs/dbraw/zinc/03/03/27/1062030327.db2.gz IVQIMUJJMNUYJC-HXUWFJFHSA-N 1 0 372.488 2.990 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001464600346 1062709050 /nfs/dbraw/zinc/70/90/50/1062709050.db2.gz CUJQNLZWGJOTLS-IBGZPJMESA-N 1 0 359.514 2.602 20 10 FFCDRO CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1 ZINC001439958986 1063240609 /nfs/dbraw/zinc/24/06/09/1063240609.db2.gz ARCIYLJYNJFDLP-VQTJNVASSA-N 1 0 355.482 2.859 20 10 FFCDRO COc1cccc(F)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439960132 1063241593 /nfs/dbraw/zinc/24/15/93/1063241593.db2.gz JTIASNCRUFHHTR-QGZVFWFLSA-N 1 0 359.445 2.933 20 10 FFCDRO CCCN(CC(C)(C)O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471544907 1064711917 /nfs/dbraw/zinc/71/19/17/1064711917.db2.gz OCVZKOVUBDIUJE-SFHVURJKSA-N 1 0 364.534 2.548 20 10 FFCDRO CC[C@@H](C)CC[C@H](O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471565837 1064717318 /nfs/dbraw/zinc/71/73/18/1064717318.db2.gz WJERAAJESCOVBT-XLIONFOSSA-N 1 0 361.530 2.632 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001474255517 1065477521 /nfs/dbraw/zinc/47/75/21/1065477521.db2.gz OFUXFOVPEZSGPL-WKILWMFISA-N 1 0 364.461 2.872 20 10 FFCDRO COC(=O)COc1ccccc1C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001474612519 1065562077 /nfs/dbraw/zinc/56/20/77/1065562077.db2.gz KRKMUKMOFQBMCS-UHFFFAOYSA-N 1 0 372.465 2.815 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC001577951332 1078414602 /nfs/dbraw/zinc/41/46/02/1078414602.db2.gz LQUWGOGMOFOQNG-CQSZACIVSA-N 1 0 356.422 2.617 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCCC[C@@H]2C[NH3+])CCCC1 ZINC001579248846 1078600811 /nfs/dbraw/zinc/60/08/11/1078600811.db2.gz OGVABZUBKZSLJJ-OAHLLOKOSA-N 1 0 355.482 2.869 20 10 FFCDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562966262 1074801652 /nfs/dbraw/zinc/80/16/52/1074801652.db2.gz RQYLKAFZUCWVNC-GJZGRUSLSA-N 1 0 364.453 2.953 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560555264 1076279756 /nfs/dbraw/zinc/27/97/56/1076279756.db2.gz HJFQQCLXMKSGDG-KRWDZBQOSA-N 1 0 362.470 2.737 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC001560986836 1076316714 /nfs/dbraw/zinc/31/67/14/1076316714.db2.gz MHYYQOQXRDGZCV-UHFFFAOYSA-N 1 0 354.516 2.856 20 10 FFCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC001563793348 1076583161 /nfs/dbraw/zinc/58/31/61/1076583161.db2.gz DPRKPVIBFIMXCZ-QGZVFWFLSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3ccc[nH]3)C2)cc1C ZINC001565918902 1076802306 /nfs/dbraw/zinc/80/23/06/1076802306.db2.gz YXCMUIDDBLUTED-PKOBYXMFSA-N 1 0 355.482 2.949 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC001568604260 1077102624 /nfs/dbraw/zinc/10/26/24/1077102624.db2.gz CQRCXSBECPUNSO-AAEUAGOBSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C2CC2)cc1C ZINC001569310559 1077137700 /nfs/dbraw/zinc/13/77/00/1077137700.db2.gz GJJDTCZHBCPEOY-CTAFRAEOSA-N 1 0 372.509 2.803 20 10 FFCDRO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Br)ccc1O ZINC000038047245 506434692 /nfs/dbraw/zinc/43/46/92/506434692.db2.gz IZBQPNMMWBBJDP-LBPRGKRZSA-N 1 0 350.278 2.630 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000067010752 506726075 /nfs/dbraw/zinc/72/60/75/506726075.db2.gz MHSLFLIQYVLIFM-OAHLLOKOSA-N 1 0 361.511 2.854 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000056794315 507096104 /nfs/dbraw/zinc/09/61/04/507096104.db2.gz NNDMQFQTSDILNT-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)c1ccsc1 ZINC000057106780 507174913 /nfs/dbraw/zinc/17/49/13/507174913.db2.gz CRFVOYFPTMSCLU-UHFFFAOYSA-N 1 0 360.435 2.577 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(O)c3)cc2F)CC1 ZINC000106922438 507829650 /nfs/dbraw/zinc/82/96/50/507829650.db2.gz OOKJNBUJGYITPL-UHFFFAOYSA-N 1 0 371.456 2.532 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000078498131 507877135 /nfs/dbraw/zinc/87/71/35/507877135.db2.gz CONGGBMKESWAQD-UHFFFAOYSA-N 1 0 373.522 2.827 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000156679563 508461849 /nfs/dbraw/zinc/46/18/49/508461849.db2.gz IXKPAKGGUBLOLR-SFHVURJKSA-N 1 0 354.450 2.669 20 10 FFCDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000157768330 508609369 /nfs/dbraw/zinc/60/93/69/508609369.db2.gz RKTDZBWCDUHMGN-HNNXBMFYSA-N 1 0 371.529 2.980 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000118722683 508666188 /nfs/dbraw/zinc/66/61/88/508666188.db2.gz OSJCPKWJYPUDAE-UHFFFAOYSA-N 1 0 373.472 2.810 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COCc1ccccc1 ZINC000154189705 508733135 /nfs/dbraw/zinc/73/31/35/508733135.db2.gz RJHLUJVTROUNKT-QFIPXVFZSA-N 1 0 370.493 2.533 20 10 FFCDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Br)ccc1O ZINC000185449495 509183082 /nfs/dbraw/zinc/18/30/82/509183082.db2.gz MDVGUACTHQLPBJ-LBPRGKRZSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000186078701 509511399 /nfs/dbraw/zinc/51/13/99/509511399.db2.gz YHRFQQFSIOPHQF-CQSZACIVSA-N 1 0 356.422 2.867 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)ccc1O ZINC000186100458 509523503 /nfs/dbraw/zinc/52/35/03/509523503.db2.gz PZUXBTPZKVUQPI-LLVKDONJSA-N 1 0 358.891 2.653 20 10 FFCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000183049397 509566192 /nfs/dbraw/zinc/56/61/92/509566192.db2.gz YPYUEADVBINONQ-UYAOXDASSA-N 1 0 354.498 2.689 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000179675139 509568613 /nfs/dbraw/zinc/56/86/13/509568613.db2.gz LISCEILHROQHHZ-UHFFFAOYSA-N 1 0 358.413 2.888 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)c1 ZINC000237283024 509611248 /nfs/dbraw/zinc/61/12/48/509611248.db2.gz CMWWITAZNGGCJG-HXUWFJFHSA-N 1 0 353.466 2.773 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000179877166 509657849 /nfs/dbraw/zinc/65/78/49/509657849.db2.gz HYOKLGJONCOKMK-UHFFFAOYSA-N 1 0 355.276 2.906 20 10 FFCDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000237549007 509676266 /nfs/dbraw/zinc/67/62/66/509676266.db2.gz GCMIJVSPZXFFGW-HOTGVXAUSA-N 1 0 354.450 2.931 20 10 FFCDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000186449421 509714268 /nfs/dbraw/zinc/71/42/68/509714268.db2.gz OGJHGHWFTFLSCR-HOCLYGCPSA-N 1 0 365.449 2.544 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180453025 509931100 /nfs/dbraw/zinc/93/11/00/509931100.db2.gz UEEDQTPQSICGEH-GXTWGEPZSA-N 1 0 374.300 2.870 20 10 FFCDRO CCCCNC(=O)C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000177278604 509976810 /nfs/dbraw/zinc/97/68/10/509976810.db2.gz HQVMMPIGTGHKRK-UHFFFAOYSA-N 1 0 350.434 2.862 20 10 FFCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000180596567 510005184 /nfs/dbraw/zinc/00/51/84/510005184.db2.gz POVWRUAPTRHJNK-UHFFFAOYSA-N 1 0 372.440 2.863 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2F)CC1 ZINC000193991179 510165356 /nfs/dbraw/zinc/16/53/56/510165356.db2.gz FPVLXWDQYKDHQY-LSTHTHJFSA-N 1 0 360.473 2.834 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1OC ZINC000181287534 510339922 /nfs/dbraw/zinc/33/99/22/510339922.db2.gz KOAGJNXSYYSWIS-UHFFFAOYSA-N 1 0 359.401 2.768 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC000177947745 510342654 /nfs/dbraw/zinc/34/26/54/510342654.db2.gz UYKCVKWIJYNRNU-ICSRJNTNSA-N 1 0 356.514 2.913 20 10 FFCDRO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1F ZINC000187606331 510350875 /nfs/dbraw/zinc/35/08/75/510350875.db2.gz ROECINCWBNLQCU-UHFFFAOYSA-N 1 0 368.405 2.500 20 10 FFCDRO COc1cc(Cl)cc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000184689673 510464201 /nfs/dbraw/zinc/46/42/01/510464201.db2.gz NRCCXKUIQWKLIU-KRWDZBQOSA-N 1 0 367.921 2.656 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000263777356 510837278 /nfs/dbraw/zinc/83/72/78/510837278.db2.gz NZWNYGSAEZOIRL-MRXNPFEDSA-N 1 0 372.488 2.599 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000275378088 510891208 /nfs/dbraw/zinc/89/12/08/510891208.db2.gz WZBSOBXYYFOYFC-NHYWBVRUSA-N 1 0 358.276 2.901 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1OC ZINC000276814402 510946938 /nfs/dbraw/zinc/94/69/38/510946938.db2.gz VJGOOZHVLDNIEY-MRXNPFEDSA-N 1 0 362.470 2.823 20 10 FFCDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000277158942 510955992 /nfs/dbraw/zinc/95/59/92/510955992.db2.gz FNQMPOFFVQNXFS-HNNXBMFYSA-N 1 0 367.559 2.996 20 10 FFCDRO C[C@H]1CN(CCC[NH2+]Cc2cc(Br)ccc2O)CCCO1 ZINC000277711041 510970316 /nfs/dbraw/zinc/97/03/16/510970316.db2.gz IREOZYBIAHKKPC-ZDUSSCGKSA-N 1 0 357.292 2.745 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H](C[NH3+])OC)cc1 ZINC000278289892 510988150 /nfs/dbraw/zinc/98/81/50/510988150.db2.gz QXZWKNHPRLBPHO-HXUWFJFHSA-N 1 0 371.481 2.658 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000297689230 511035684 /nfs/dbraw/zinc/03/56/84/511035684.db2.gz LVBOQEOVHQTAAG-SUMWQHHRSA-N 1 0 360.479 2.981 20 10 FFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287401841 511047927 /nfs/dbraw/zinc/04/79/27/511047927.db2.gz KTDDEIDMAGSJFH-XLIONFOSSA-N 1 0 354.498 2.831 20 10 FFCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1O ZINC000271154311 511100335 /nfs/dbraw/zinc/10/03/35/511100335.db2.gz GOBHZJCXTXRWHF-UHFFFAOYSA-N 1 0 356.422 2.957 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333338353 511208643 /nfs/dbraw/zinc/20/86/43/511208643.db2.gz PHFLBURPHSHIFC-UHFFFAOYSA-N 1 0 368.437 2.666 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)c1ccccc1)cc2=O ZINC000271637971 511271204 /nfs/dbraw/zinc/27/12/04/511271204.db2.gz GPGOHSNSLGWPBY-MRXNPFEDSA-N 1 0 354.410 2.853 20 10 FFCDRO CCC1([NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000295129218 511292508 /nfs/dbraw/zinc/29/25/08/511292508.db2.gz ASOZUWMQJKRHNU-UHFFFAOYSA-N 1 0 363.477 2.591 20 10 FFCDRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000295212283 511322949 /nfs/dbraw/zinc/32/29/49/511322949.db2.gz QCMXLODVNYWGNA-OCCSQVGLSA-N 1 0 353.413 2.514 20 10 FFCDRO C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000295212282 511323549 /nfs/dbraw/zinc/32/35/49/511323549.db2.gz QCMXLODVNYWGNA-JSGCOSHPSA-N 1 0 353.413 2.514 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298709018 511383561 /nfs/dbraw/zinc/38/35/61/511383561.db2.gz GFKYLBSNNIXWDE-IPMKNSEASA-N 1 0 373.497 2.710 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCCCn1cc(Br)cn1)OCO2 ZINC000280639110 511544481 /nfs/dbraw/zinc/54/44/81/511544481.db2.gz RACQBGARSCSDFJ-UHFFFAOYSA-N 1 0 368.231 2.650 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@@]4(CCOC4)C3)cc2)CC1 ZINC000295983079 511578183 /nfs/dbraw/zinc/57/81/83/511578183.db2.gz LIUVYXQIYYBUIO-UWJYYQICSA-N 1 0 360.498 2.682 20 10 FFCDRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296231592 511664843 /nfs/dbraw/zinc/66/48/43/511664843.db2.gz AKEABOJWZPEWOV-QGZVFWFLSA-N 1 0 358.463 2.709 20 10 FFCDRO NC(=O)c1c[nH+]ccc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000302137224 511707387 /nfs/dbraw/zinc/70/73/87/511707387.db2.gz FGJTZUIHNHMKTM-LBPRGKRZSA-N 1 0 362.380 2.863 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1O ZINC000363868496 511818824 /nfs/dbraw/zinc/81/88/24/511818824.db2.gz NJXIMQRITMRWBG-DGCLKSJQSA-N 1 0 365.275 2.818 20 10 FFCDRO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(C)cc1O ZINC000366443134 512026815 /nfs/dbraw/zinc/02/68/15/512026815.db2.gz FPSYUADFDJADQA-HKUYNNGSSA-N 1 0 350.528 2.949 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(O)c1 ZINC000275116254 512046866 /nfs/dbraw/zinc/04/68/66/512046866.db2.gz FQMPXHVMEXPDAH-ZDUSSCGKSA-N 1 0 360.376 2.681 20 10 FFCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293727024 512063778 /nfs/dbraw/zinc/06/37/78/512063778.db2.gz OBXZDLYVQYHHNM-JKSUJKDBSA-N 1 0 365.493 2.865 20 10 FFCDRO COc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371848259 512602084 /nfs/dbraw/zinc/60/20/84/512602084.db2.gz YNVKNMGWYUUFHV-BZUAXINKSA-N 1 0 354.878 2.738 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000376009288 512613972 /nfs/dbraw/zinc/61/39/72/512613972.db2.gz WNBTYBGXBRXQSF-BZNIZROVSA-N 1 0 372.259 2.543 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000473815283 515760820 /nfs/dbraw/zinc/76/08/20/515760820.db2.gz WUOKEHLVEMUMJJ-HXUWFJFHSA-N 1 0 357.498 2.896 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1O ZINC000528654757 516596132 /nfs/dbraw/zinc/59/61/32/516596132.db2.gz XFEWZGBCJMNZNJ-IBGZPJMESA-N 1 0 361.825 2.704 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4(=O)=O)c2c1 ZINC000530108408 517571927 /nfs/dbraw/zinc/57/19/27/517571927.db2.gz MFNFMUZPCWUZQP-CVEARBPZSA-N 1 0 361.463 2.706 20 10 FFCDRO COc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[nH]n1 ZINC000628627983 523641975 /nfs/dbraw/zinc/64/19/75/523641975.db2.gz LJLSCNDDBDVBEK-UHFFFAOYSA-N 1 0 367.453 2.778 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737363595 598837552 /nfs/dbraw/zinc/83/75/52/598837552.db2.gz BNVGYUOVLHEWTC-UHFFFAOYSA-N 1 0 364.453 2.639 20 10 FFCDRO C[N@H+](Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000821615665 606490547 /nfs/dbraw/zinc/49/05/47/606490547.db2.gz IAIDFFZNZXCIFJ-UHFFFAOYSA-N 1 0 361.352 2.806 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000154575725 728807266 /nfs/dbraw/zinc/80/72/66/728807266.db2.gz OIUHEAWZHDEONY-AWEZNQCLSA-N 1 0 354.545 2.895 20 10 FFCDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000157811937 728877454 /nfs/dbraw/zinc/87/74/54/728877454.db2.gz YWCRIWJWNJNDMC-UHFFFAOYSA-N 1 0 364.559 2.721 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000898175985 735322790 /nfs/dbraw/zinc/32/27/90/735322790.db2.gz ZTSQAPCVDWMLFO-BBRMVZONSA-N 1 0 361.515 2.872 20 10 FFCDRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203157 728395007 /nfs/dbraw/zinc/39/50/07/728395007.db2.gz ZBALPTJAVLQYSF-CQSZACIVSA-N 1 0 355.429 2.713 20 10 FFCDRO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000104944811 728503940 /nfs/dbraw/zinc/50/39/40/728503940.db2.gz TYVCNUBCUCYWCH-VWLOTQADSA-N 1 0 358.507 2.763 20 10 FFCDRO CC(=O)N1CCC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000113359156 728554129 /nfs/dbraw/zinc/55/41/29/728554129.db2.gz HCKVGTLFODIFKI-GOSISDBHSA-N 1 0 365.905 2.611 20 10 FFCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119465042 728594877 /nfs/dbraw/zinc/59/48/77/728594877.db2.gz UXNBMVZCIGRBOL-ZDUSSCGKSA-N 1 0 364.467 2.631 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CSC)cc2F)CC1 ZINC000133477825 728727049 /nfs/dbraw/zinc/72/70/49/728727049.db2.gz AWNQFMCEMLUPAH-AWEZNQCLSA-N 1 0 368.522 2.518 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177769498 729146107 /nfs/dbraw/zinc/14/61/07/729146107.db2.gz DYPIZPFTQKDPID-MRXNPFEDSA-N 1 0 361.511 2.523 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182305048 729274462 /nfs/dbraw/zinc/27/44/62/729274462.db2.gz UNRSNPUONUZGCM-QGZVFWFLSA-N 1 0 352.500 2.527 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000237588873 729561827 /nfs/dbraw/zinc/56/18/27/729561827.db2.gz YDQDMAQQSKOQKL-UHFFFAOYSA-N 1 0 350.260 2.935 20 10 FFCDRO CC(C)CN1CCO[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858088138 730416179 /nfs/dbraw/zinc/41/61/79/730416179.db2.gz ROKADSNVEZGKET-CYBMUJFWSA-N 1 0 357.292 2.601 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1F ZINC000858171489 730418594 /nfs/dbraw/zinc/41/85/94/730418594.db2.gz WPOYUSOHXWFFOV-UHFFFAOYSA-N 1 0 360.470 2.724 20 10 FFCDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858172110 730418619 /nfs/dbraw/zinc/41/86/19/730418619.db2.gz JZKHOTSXEICQOZ-BDJLRTHQSA-N 1 0 366.259 2.898 20 10 FFCDRO O[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000858301355 730422162 /nfs/dbraw/zinc/42/21/62/730422162.db2.gz WEHXUMOVQXMHNL-NVXWUHKLSA-N 1 0 369.303 2.679 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1O ZINC000858602679 730429704 /nfs/dbraw/zinc/42/97/04/730429704.db2.gz GIFZPKFMFCYNFU-IINYFYTJSA-N 1 0 353.260 2.959 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)cc2)CC1 ZINC000859886822 730468607 /nfs/dbraw/zinc/46/86/07/730468607.db2.gz SVNGPCSJQNMNSB-RNHFSVANSA-N 1 0 362.539 2.787 20 10 FFCDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862222315 730677830 /nfs/dbraw/zinc/67/78/30/730677830.db2.gz VBFNPONFDZHSMC-ZDUSSCGKSA-N 1 0 367.287 2.893 20 10 FFCDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000862465871 730703836 /nfs/dbraw/zinc/70/38/36/730703836.db2.gz VQNAPYZGXMUYMP-GFCCVEGCSA-N 1 0 356.216 2.515 20 10 FFCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862478759 730704154 /nfs/dbraw/zinc/70/41/54/730704154.db2.gz PKPXQOSCZDHKMN-YOEHRIQHSA-N 1 0 350.459 2.815 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000862551295 730708737 /nfs/dbraw/zinc/70/87/37/730708737.db2.gz LNLNKAFARHUTTG-CQSZACIVSA-N 1 0 353.260 2.706 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(Br)ccc1O ZINC000866413521 731057297 /nfs/dbraw/zinc/05/72/97/731057297.db2.gz SFESRKNCFLBKHO-YPMHNXCESA-N 1 0 357.292 2.651 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)CC1 ZINC000871602361 731649109 /nfs/dbraw/zinc/64/91/09/731649109.db2.gz RDDIVOXJZKIFKM-WJDWOHSUSA-N 1 0 370.503 2.925 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000877093725 732323214 /nfs/dbraw/zinc/32/32/14/732323214.db2.gz CVVRLVANDURGPG-YLJYHZDGSA-N 1 0 362.539 2.792 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)c(O)c1 ZINC000877416120 732359081 /nfs/dbraw/zinc/35/90/81/732359081.db2.gz IYWDLBZQTZMMCS-UHFFFAOYSA-N 1 0 364.442 2.669 20 10 FFCDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000877450927 732363643 /nfs/dbraw/zinc/36/36/43/732363643.db2.gz IANZQXYYVNBKMT-SJORKVTESA-N 1 0 356.495 2.625 20 10 FFCDRO COc1nsc(C[NH2+]Cc2cccc(OC)c2O)c1Br ZINC000877526549 732380884 /nfs/dbraw/zinc/38/08/84/732380884.db2.gz SMGSZVDTQBEQAF-UHFFFAOYSA-N 1 0 359.245 2.918 20 10 FFCDRO CC(=O)c1cc(Cl)cc(Cn2cc(CC[NH+]3CCCCC3)nn2)c1O ZINC000880999291 733002462 /nfs/dbraw/zinc/00/24/62/733002462.db2.gz JOOKLMNATKYYSH-UHFFFAOYSA-N 1 0 362.861 2.916 20 10 FFCDRO C[C@H]([NH2+]CC1CC2(C1)OCCO2)c1ccc(N2CCOCC2)cc1Cl ZINC000927003651 738680376 /nfs/dbraw/zinc/68/03/76/738680376.db2.gz CADQMYJIOFFTGB-AWEZNQCLSA-N 1 0 366.889 2.980 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(F)(F)F)ccn2)cc1 ZINC000884009891 733468648 /nfs/dbraw/zinc/46/86/48/733468648.db2.gz LCBVWWXBBXCGAM-CQSZACIVSA-N 1 0 352.360 2.596 20 10 FFCDRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891845828 734483189 /nfs/dbraw/zinc/48/31/89/734483189.db2.gz TVRRQNKCJQTKJN-MRXNPFEDSA-N 1 0 351.443 2.569 20 10 FFCDRO Cc1ncc(/C=C/C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000893608627 734726021 /nfs/dbraw/zinc/72/60/21/734726021.db2.gz XOOGKQIEHQPSMC-BQYQJAHWSA-N 1 0 356.495 2.533 20 10 FFCDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732799522 734766044 /nfs/dbraw/zinc/76/60/44/734766044.db2.gz URYGSPQFIPTPLV-AWEZNQCLSA-N 1 0 353.344 2.535 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000894452236 734860449 /nfs/dbraw/zinc/86/04/49/734860449.db2.gz AUKKWTKZWRJDFR-HNNXBMFYSA-N 1 0 362.857 2.796 20 10 FFCDRO C[C@@H]([NH2+]Cc1cn(C)nc1I)c1ccccc1O ZINC000895460939 735009762 /nfs/dbraw/zinc/00/97/62/735009762.db2.gz WTYRNQLGJLGOKT-SECBINFHSA-N 1 0 357.195 2.581 20 10 FFCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OC)c(OC)c1O ZINC000895573089 735025443 /nfs/dbraw/zinc/02/54/43/735025443.db2.gz GQBPCHIWKFYDPY-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c(O)c1OC ZINC000895939216 735077354 /nfs/dbraw/zinc/07/73/54/735077354.db2.gz QAEFWFRQWKZEBF-OAHLLOKOSA-N 1 0 351.830 2.756 20 10 FFCDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CCCO1 ZINC000897570720 735249702 /nfs/dbraw/zinc/24/97/02/735249702.db2.gz AGZUQRVZZIQGCS-GFCCVEGCSA-N 1 0 364.467 2.543 20 10 FFCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000749970135 735763942 /nfs/dbraw/zinc/76/39/42/735763942.db2.gz ZRMXBMKQGSUOOA-HNNXBMFYSA-N 1 0 354.516 2.512 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(O)c1C ZINC000756447744 736331766 /nfs/dbraw/zinc/33/17/66/736331766.db2.gz YCKVXIIKKPBTNG-INIZCTEOSA-N 1 0 362.495 2.779 20 10 FFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551690 736341717 /nfs/dbraw/zinc/34/17/17/736341717.db2.gz WMPKBGGYFRDXBY-RYUDHWBXSA-N 1 0 374.312 2.937 20 10 FFCDRO CC(F)(F)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000758010053 736445108 /nfs/dbraw/zinc/44/51/08/736445108.db2.gz HBOHGBYYVAMUMM-UHFFFAOYSA-N 1 0 351.441 2.880 20 10 FFCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000760698576 736661624 /nfs/dbraw/zinc/66/16/24/736661624.db2.gz LPCSSKKZPLGJNH-JBEBIEQOSA-N 1 0 353.488 2.832 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cnc(C)s3)CC2)cc1 ZINC000761436489 736734365 /nfs/dbraw/zinc/73/43/65/736734365.db2.gz SUJBRKPVADJHFR-OAHLLOKOSA-N 1 0 360.527 2.933 20 10 FFCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764766162 737047364 /nfs/dbraw/zinc/04/73/64/737047364.db2.gz YFCWZYOSDGKJPX-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(Br)c1O ZINC000765974992 737179391 /nfs/dbraw/zinc/17/93/91/737179391.db2.gz DYJXNNGGPOTTGL-UHFFFAOYSA-N 1 0 374.348 2.707 20 10 FFCDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978843 737179850 /nfs/dbraw/zinc/17/98/50/737179850.db2.gz PZEUIZZUOYMPTR-HNNXBMFYSA-N 1 0 370.584 2.931 20 10 FFCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000766589687 737245216 /nfs/dbraw/zinc/24/52/16/737245216.db2.gz BLDAKHIWARLYOF-CQSZACIVSA-N 1 0 361.877 2.729 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805074574 740935326 /nfs/dbraw/zinc/93/53/26/740935326.db2.gz LHZXQVYMSMEJND-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000768445881 737423196 /nfs/dbraw/zinc/42/31/96/737423196.db2.gz IYWOECXFXIHWQG-HNNXBMFYSA-N 1 0 356.388 2.866 20 10 FFCDRO O=C(C[C@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915983 737476802 /nfs/dbraw/zinc/47/68/02/737476802.db2.gz OOMMOSTVMQWMNO-HZPDHXFCSA-N 1 0 352.862 2.695 20 10 FFCDRO O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCCC1 ZINC000769403558 737524802 /nfs/dbraw/zinc/52/48/02/737524802.db2.gz DKEHJUOVRFKSHL-ZDUSSCGKSA-N 1 0 367.287 2.989 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3\SC(=S)N(C4CC4)C3=O)cc2)CC1 ZINC000771514924 737732067 /nfs/dbraw/zinc/73/20/67/737732067.db2.gz WSCGBPYYLYEZPB-VBKFSLOCSA-N 1 0 359.520 2.802 20 10 FFCDRO CN1CCN([C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)c2cccs2)CC1 ZINC000917392886 737755593 /nfs/dbraw/zinc/75/55/93/737755593.db2.gz RTPPHCQVSMOYBE-SFHVURJKSA-N 1 0 357.523 2.761 20 10 FFCDRO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107973 737871950 /nfs/dbraw/zinc/87/19/50/737871950.db2.gz SBXZUDNTUKESQC-YPMHNXCESA-N 1 0 350.356 2.626 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000775369915 738087599 /nfs/dbraw/zinc/08/75/99/738087599.db2.gz IYGBZWGSHPPHLQ-CYBMUJFWSA-N 1 0 365.451 2.534 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775661990 738109865 /nfs/dbraw/zinc/10/98/65/738109865.db2.gz BTQTZASWMAFMEI-KBPBESRZSA-N 1 0 354.878 2.717 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775833739 738129990 /nfs/dbraw/zinc/12/99/90/738129990.db2.gz LBCLLDJLFNOCDM-IFXJQAMLSA-N 1 0 362.495 2.540 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)cc1F ZINC000776520966 738202365 /nfs/dbraw/zinc/20/23/65/738202365.db2.gz RJNQACRDEFRTPA-IBGZPJMESA-N 1 0 354.466 2.854 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1O ZINC000922874842 738213086 /nfs/dbraw/zinc/21/30/86/738213086.db2.gz CUUWKAXLSAWIBF-XYYAHUGASA-N 1 0 372.259 2.935 20 10 FFCDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c(F)ccc(O)c1O ZINC000789946857 739399059 /nfs/dbraw/zinc/39/90/59/739399059.db2.gz MUPVAQJARBBMAL-GFCCVEGCSA-N 1 0 350.415 2.865 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000792899793 739716606 /nfs/dbraw/zinc/71/66/06/739716606.db2.gz MLQSFLIYRGCXOV-UHFFFAOYSA-N 1 0 355.360 2.770 20 10 FFCDRO COC(=O)CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000793230602 739755586 /nfs/dbraw/zinc/75/55/86/739755586.db2.gz GXDOCIUSFWGXMQ-UHFFFAOYSA-N 1 0 350.434 2.628 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(CS(C)(=O)=O)CC3)c2c1 ZINC000793724476 739808211 /nfs/dbraw/zinc/80/82/11/739808211.db2.gz DGCWQYREWCWZBU-UHFFFAOYSA-N 1 0 363.479 2.811 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000796528262 740150177 /nfs/dbraw/zinc/15/01/77/740150177.db2.gz FTCDFLQYWRIACJ-NEPJUHHUSA-N 1 0 360.483 2.788 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000800971832 740574045 /nfs/dbraw/zinc/57/40/45/740574045.db2.gz VRCVFRVPUXGAKQ-IEBWSBKVSA-N 1 0 368.518 2.929 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(Br)cc1O ZINC000806178885 741045635 /nfs/dbraw/zinc/04/56/35/741045635.db2.gz KLSHRNAFQIUCMI-YPMHNXCESA-N 1 0 351.244 2.976 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000808719960 741255229 /nfs/dbraw/zinc/25/52/29/741255229.db2.gz ZFRLIMBPGHYJBH-TZMCWYRMSA-N 1 0 360.907 2.819 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000809689159 741331799 /nfs/dbraw/zinc/33/17/99/741331799.db2.gz VYLYDACAZZWKEO-SFHVURJKSA-N 1 0 367.559 2.636 20 10 FFCDRO CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810226751 741399908 /nfs/dbraw/zinc/39/99/08/741399908.db2.gz KNKWTZQVTOGCRY-CYBMUJFWSA-N 1 0 369.405 2.513 20 10 FFCDRO CC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000810237872 741400270 /nfs/dbraw/zinc/40/02/70/741400270.db2.gz FRUYYOMSVHLTGL-LBPRGKRZSA-N 1 0 356.348 2.774 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000810252265 741402008 /nfs/dbraw/zinc/40/20/08/741402008.db2.gz MVAKJMPLWBUNMP-CYBMUJFWSA-N 1 0 352.500 2.657 20 10 FFCDRO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000814290709 741809603 /nfs/dbraw/zinc/80/96/03/741809603.db2.gz KUSBELIUWDPVQN-AWEZNQCLSA-N 1 0 350.413 2.836 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000815151298 741907359 /nfs/dbraw/zinc/90/73/59/741907359.db2.gz WRAWPTPYSVUNCN-SFHVURJKSA-N 1 0 350.478 2.941 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816569874 742043293 /nfs/dbraw/zinc/04/32/93/742043293.db2.gz ZEWNGMSYJUMQGS-UHFFFAOYSA-N 1 0 362.495 2.697 20 10 FFCDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000816662596 742051818 /nfs/dbraw/zinc/05/18/18/742051818.db2.gz SHYXWNVMRSJXIG-FQEVSTJZSA-N 1 0 350.478 2.893 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1O ZINC000817864732 742219254 /nfs/dbraw/zinc/21/92/54/742219254.db2.gz BAYDITDTRDBMIC-MDZLAQPJSA-N 1 0 357.292 2.969 20 10 FFCDRO CC(C)CN(CC[NH+](C)C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817995948 742227489 /nfs/dbraw/zinc/22/74/89/742227489.db2.gz JUZZSSYENDILHO-UHFFFAOYSA-N 1 0 360.527 2.976 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncc(CN(C)C)s3)C2)cc1 ZINC000818222535 742251409 /nfs/dbraw/zinc/25/14/09/742251409.db2.gz UPVBPTXNMJHUGF-OAHLLOKOSA-N 1 0 360.527 2.829 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000824576952 743110285 /nfs/dbraw/zinc/11/02/85/743110285.db2.gz WRHLSAFQYWULOE-CYBMUJFWSA-N 1 0 357.248 2.736 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000825182850 743223968 /nfs/dbraw/zinc/22/39/68/743223968.db2.gz COIMKRDDMLAJCI-KRWDZBQOSA-N 1 0 361.873 2.856 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825291477 743242943 /nfs/dbraw/zinc/24/29/43/743242943.db2.gz LNUMZAUPQAEOJG-SMDDNHRTSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)c1O ZINC000825326514 743248454 /nfs/dbraw/zinc/24/84/54/743248454.db2.gz NESKTBHSLMFCGC-ZFWWWQNUSA-N 1 0 351.834 2.798 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3O)[C@@H]2C1 ZINC000825943888 743346763 /nfs/dbraw/zinc/34/67/63/743346763.db2.gz LRYPYSIBJPTYQP-NUEKZKHPSA-N 1 0 367.287 2.891 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000825943749 743347206 /nfs/dbraw/zinc/34/72/06/743347206.db2.gz JYWLAIICNGBNTL-CZUORRHYSA-N 1 0 350.212 2.739 20 10 FFCDRO COC(=O)c1nc(C[NH2+]Cc2cc(OC)c(OC)cc2O)ccc1Cl ZINC000826980973 743483000 /nfs/dbraw/zinc/48/30/00/743483000.db2.gz DJNMLYHDECRJGT-UHFFFAOYSA-N 1 0 366.801 2.534 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133341 743515789 /nfs/dbraw/zinc/51/57/89/743515789.db2.gz SYQCQWJMIPNZOM-BXUZGUMPSA-N 1 0 353.260 2.564 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000827634250 744951542 /nfs/dbraw/zinc/95/15/42/744951542.db2.gz MMTYFNSHVZCITB-CYBMUJFWSA-N 1 0 367.287 2.907 20 10 FFCDRO C[C@H]([NH2+]C1CC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359481 745059374 /nfs/dbraw/zinc/05/93/74/745059374.db2.gz VTOOBZFLXFGNKI-LBPRGKRZSA-N 1 0 353.413 2.514 20 10 FFCDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCCSc1nccs1 ZINC000831138274 745488762 /nfs/dbraw/zinc/48/87/62/745488762.db2.gz PQHIQDOPTFOLFE-HNNXBMFYSA-N 1 0 362.524 2.893 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000832280756 745670721 /nfs/dbraw/zinc/67/07/21/745670721.db2.gz QRWJHQLORVCBLB-MRXNPFEDSA-N 1 0 360.527 2.865 20 10 FFCDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283869 745671385 /nfs/dbraw/zinc/67/13/85/745671385.db2.gz CQUYUFWJUABXPT-ACJLOTCBSA-N 1 0 361.873 2.990 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000832293202 745673656 /nfs/dbraw/zinc/67/36/56/745673656.db2.gz RGAVOPCQSGSXQS-FUHWJXTLSA-N 1 0 359.857 2.526 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000834585841 745863123 /nfs/dbraw/zinc/86/31/23/745863123.db2.gz UNFDDIYLVUDHGD-HXUWFJFHSA-N 1 0 362.539 2.980 20 10 FFCDRO O=S1(=O)CCCN1c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000834765926 745896900 /nfs/dbraw/zinc/89/69/00/745896900.db2.gz QBJYVIQHQCKILB-KRWDZBQOSA-N 1 0 358.463 2.709 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(Br)cc1O ZINC000834850011 745913962 /nfs/dbraw/zinc/91/39/62/745913962.db2.gz IJLCYPHHQPZEBN-TZMCWYRMSA-N 1 0 357.292 2.652 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1O ZINC000834851464 745914443 /nfs/dbraw/zinc/91/44/43/745914443.db2.gz XSUFEDRYDFGTGM-DZGCQCFKSA-N 1 0 371.319 2.961 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000835081524 745946791 /nfs/dbraw/zinc/94/67/91/745946791.db2.gz IWNJONGUDDHUQL-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1=O ZINC000838922323 746737722 /nfs/dbraw/zinc/73/77/22/746737722.db2.gz QPDSXFVXRYJEEV-CQSZACIVSA-N 1 0 366.303 2.760 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCSCC2)ccc1N1CCCCC1 ZINC000839174089 746793700 /nfs/dbraw/zinc/79/37/00/746793700.db2.gz CKLKSOWKSRLWCQ-UHFFFAOYSA-N 1 0 365.499 2.933 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000840888438 747213487 /nfs/dbraw/zinc/21/34/87/747213487.db2.gz KGVHTRJJZBIWAZ-JTQLQIEISA-N 1 0 350.278 2.630 20 10 FFCDRO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000841099867 747268814 /nfs/dbraw/zinc/26/88/14/747268814.db2.gz PSCLZZZZBAIGOH-PBHICJAKSA-N 1 0 369.849 2.672 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000841335912 747319463 /nfs/dbraw/zinc/31/94/63/747319463.db2.gz XJFCADAKCIILPP-OAHLLOKOSA-N 1 0 360.424 2.954 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@@H]1[NH3+] ZINC000841707088 747436913 /nfs/dbraw/zinc/43/69/13/747436913.db2.gz NETZHRPPSIIQHA-WMZOPIPTSA-N 1 0 362.543 2.509 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1O ZINC000841754015 747449818 /nfs/dbraw/zinc/44/98/18/747449818.db2.gz OYZHYNWINSOBNE-IUODEOHRSA-N 1 0 362.861 2.621 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000841799583 747464159 /nfs/dbraw/zinc/46/41/59/747464159.db2.gz YAHZTOHGZIRHNU-GDBMZVCRSA-N 1 0 350.482 2.859 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841977932 747495389 /nfs/dbraw/zinc/49/53/89/747495389.db2.gz QASZKJIKRABOSD-RISCZKNCSA-N 1 0 370.291 2.684 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000842785544 747687405 /nfs/dbraw/zinc/68/74/05/747687405.db2.gz UNTJDQLCBDSOSL-QGZVFWFLSA-N 1 0 367.902 2.525 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1O ZINC000842882570 747713149 /nfs/dbraw/zinc/71/31/49/747713149.db2.gz HFJNERNJDOYEQF-DGCLKSJQSA-N 1 0 367.854 2.931 20 10 FFCDRO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843351005 747815407 /nfs/dbraw/zinc/81/54/07/747815407.db2.gz ZTPSXYGICDNZSE-AWEZNQCLSA-N 1 0 355.507 2.933 20 10 FFCDRO CN(Cc1cccs1)c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000846067475 748395177 /nfs/dbraw/zinc/39/51/77/748395177.db2.gz GDYLPFTXLOJXQI-LJQANCHMSA-N 1 0 357.523 2.635 20 10 FFCDRO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846102140 748407593 /nfs/dbraw/zinc/40/75/93/748407593.db2.gz CYTUGARSCFGQPP-ZYLNGJIFSA-N 1 0 352.503 2.955 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1O ZINC000846150287 748415964 /nfs/dbraw/zinc/41/59/64/748415964.db2.gz CVCSVACGNLXBBD-NSHDSACASA-N 1 0 350.365 2.760 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cccc(OC)c2O)n1 ZINC000846163478 748417790 /nfs/dbraw/zinc/41/77/90/748417790.db2.gz IEHIODSVLUHXFF-LLVKDONJSA-N 1 0 350.440 2.927 20 10 FFCDRO C[C@@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1CC[NH3+] ZINC000846695656 748525486 /nfs/dbraw/zinc/52/54/86/748525486.db2.gz VYXGMGSELOTIIX-DYVFJYSZSA-N 1 0 358.511 2.906 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(OC)c1 ZINC000846748491 748537241 /nfs/dbraw/zinc/53/72/41/748537241.db2.gz RQOGSRNBGMHHRP-UHFFFAOYSA-N 1 0 362.392 2.795 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2scnc2C(F)(F)F)cc1 ZINC000848392834 748917675 /nfs/dbraw/zinc/91/76/75/748917675.db2.gz HWPFPDIHONTENC-LLVKDONJSA-N 1 0 358.389 2.658 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000848523478 748949467 /nfs/dbraw/zinc/94/94/67/748949467.db2.gz GXEPVMGCUKEUQW-WKEGUHRASA-N 1 0 358.154 2.737 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000848549450 748957077 /nfs/dbraw/zinc/95/70/77/748957077.db2.gz OYVPBMASKTWXDN-YBYGRFCBSA-N 1 0 362.289 2.725 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848594976 748969869 /nfs/dbraw/zinc/96/98/69/748969869.db2.gz ICCOZXFRUAJYMG-OAHLLOKOSA-N 1 0 358.408 2.708 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cnn3c2CCC3)C1 ZINC000850137718 749309556 /nfs/dbraw/zinc/30/95/56/749309556.db2.gz UXUBOUJOWSDGHL-KRWDZBQOSA-N 1 0 360.889 2.943 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000850136716 749309729 /nfs/dbraw/zinc/30/97/29/749309729.db2.gz AQVKKRVWXRGZRA-INIZCTEOSA-N 1 0 360.889 2.943 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000850341247 749344539 /nfs/dbraw/zinc/34/45/39/749344539.db2.gz DLKQGQFMTFLQRL-HNNXBMFYSA-N 1 0 365.857 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(Br)nn3C)C2)cc1 ZINC000850346038 749346057 /nfs/dbraw/zinc/34/60/57/749346057.db2.gz BKRZEQXNBBJCMC-LBPRGKRZSA-N 1 0 365.275 2.560 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850520799 749381314 /nfs/dbraw/zinc/38/13/14/749381314.db2.gz YLURBAQFJIZLDQ-SCZZXKLOSA-N 1 0 355.353 2.646 20 10 FFCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000850550526 749386436 /nfs/dbraw/zinc/38/64/36/749386436.db2.gz PYWSRBWETLAFKS-ZDUSSCGKSA-N 1 0 355.866 2.525 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000852845393 749965044 /nfs/dbraw/zinc/96/50/44/749965044.db2.gz WBYRHHDTQPDKJR-OAHLLOKOSA-N 1 0 358.511 2.919 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 ZINC000389897656 845839977 /nfs/dbraw/zinc/83/99/77/845839977.db2.gz NAMVFAIWCWIKKL-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO Cc1cc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c(C)n1-c1cccc(C)c1 ZINC000895774192 970936092 /nfs/dbraw/zinc/93/60/92/970936092.db2.gz WSKZFXYEJGIYFU-FQEVSTJZSA-N 1 0 367.493 2.787 20 10 FFCDRO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000895886931 971038155 /nfs/dbraw/zinc/03/81/55/971038155.db2.gz HVNWZMAGEQINNY-UHFFFAOYSA-N 1 0 368.477 2.920 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001275837816 1013060579 /nfs/dbraw/zinc/06/05/79/1013060579.db2.gz NPFWGPKUNCLMBR-GOSISDBHSA-N 1 0 361.829 2.658 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)C3C[NH+](C4CCOCC4)C3)cc2)CC1 ZINC000896265415 971386787 /nfs/dbraw/zinc/38/67/87/971386787.db2.gz NFLDCYJDROYDEL-UHFFFAOYSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cccnc3C)CC2)cc1 ZINC000237273043 971953665 /nfs/dbraw/zinc/95/36/65/971953665.db2.gz YRHFTAVBRVPTGQ-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO O=C1CO[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3O)C2)CN1C1CCCC1 ZINC001275892663 1013147677 /nfs/dbraw/zinc/14/76/77/1013147677.db2.gz HZFQINDQSWCCRS-LJQANCHMSA-N 1 0 364.873 2.792 20 10 FFCDRO CC(C)[C@@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000891241473 962528632 /nfs/dbraw/zinc/52/86/32/962528632.db2.gz ARIPQXHTIPYUHG-SXLOBPIMSA-N 1 0 361.530 2.923 20 10 FFCDRO CCn1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C1CC1 ZINC000891242254 962534284 /nfs/dbraw/zinc/53/42/84/962534284.db2.gz DJGMFRJESSDZTB-FQEVSTJZSA-N 1 0 369.513 2.879 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cc(C3CC3)no2)[NH+](C)C)cc1 ZINC000891248555 962577788 /nfs/dbraw/zinc/57/77/88/962577788.db2.gz YMNXPYUEASFXTB-IBGZPJMESA-N 1 0 356.470 2.580 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nc2C(C)(C)C)[NH+](C)C)cc1 ZINC000891249098 962593073 /nfs/dbraw/zinc/59/30/73/962593073.db2.gz PPUDYLVGZUMTMO-GOSISDBHSA-N 1 0 371.529 2.816 20 10 FFCDRO CCOCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177532 1013359746 /nfs/dbraw/zinc/35/97/46/1013359746.db2.gz WBEFVWBVCIFFDE-IKGGRYGDSA-N 1 0 373.457 2.611 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1Cn1cccn1 ZINC000873049934 1013362999 /nfs/dbraw/zinc/36/29/99/1013362999.db2.gz ISRBUMSAVFGWQK-OAQYLSRUSA-N 1 0 351.450 2.937 20 10 FFCDRO COc1ccc(C[NH2+]CCc2ccc(O)c(OC)c2)cc1Cn1cccn1 ZINC000873049798 1013363374 /nfs/dbraw/zinc/36/33/74/1013363374.db2.gz DZWNCHANERWZEC-UHFFFAOYSA-N 1 0 367.449 2.987 20 10 FFCDRO CCOC(=O)Cc1ccncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434325 963177989 /nfs/dbraw/zinc/17/79/89/963177989.db2.gz JCOKGYKTYIAKEN-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO CCOC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1C ZINC001167434678 963184719 /nfs/dbraw/zinc/18/47/19/963184719.db2.gz ROJBXOBBBIYYAM-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(S(C)(=O)=O)c1 ZINC000873152191 1013404937 /nfs/dbraw/zinc/40/49/37/1013404937.db2.gz ZDQVOBOKHYIZPD-UHFFFAOYSA-N 1 0 373.522 2.762 20 10 FFCDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160661963 963265258 /nfs/dbraw/zinc/26/52/58/963265258.db2.gz JQXZGPFDIIVGSQ-RBUKOAKNSA-N 1 0 373.497 2.567 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891526701 964426511 /nfs/dbraw/zinc/42/65/11/964426511.db2.gz ODODXHYQXRYDPP-KXBFYZLASA-N 1 0 355.486 2.811 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccnc1 ZINC000891594669 964536188 /nfs/dbraw/zinc/53/61/88/964536188.db2.gz NVYBACRWDYJISZ-BEFAXECRSA-N 1 0 355.486 2.811 20 10 FFCDRO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000894315164 964666574 /nfs/dbraw/zinc/66/65/74/964666574.db2.gz FHYBDSWSXCLBAF-KRWDZBQOSA-N 1 0 360.454 2.811 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c(O)c1OC ZINC000891647058 964711721 /nfs/dbraw/zinc/71/17/21/964711721.db2.gz SUAODPADKRWUJN-UHFFFAOYSA-N 1 0 370.449 2.934 20 10 FFCDRO CN(c1cccc(C[NH+]2CCCC2)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001176195250 1013645850 /nfs/dbraw/zinc/64/58/50/1013645850.db2.gz BEPOCNPJKYXYNU-UHFFFAOYSA-N 1 0 359.495 2.831 20 10 FFCDRO CN(c1cccc(C[NH+]2CCCC2)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001176199341 1013660623 /nfs/dbraw/zinc/66/06/23/1013660623.db2.gz SZDXIGXVTQLCEO-UHFFFAOYSA-N 1 0 373.522 2.873 20 10 FFCDRO CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176679195 966579746 /nfs/dbraw/zinc/57/97/46/966579746.db2.gz QDDQCYVHWRCLKN-OAHLLOKOSA-N 1 0 355.438 2.801 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)Cc1ccc(F)cc1C ZINC000895073233 967397434 /nfs/dbraw/zinc/39/74/34/967397434.db2.gz FTLMYTAYWSNKBZ-QGZVFWFLSA-N 1 0 374.456 2.851 20 10 FFCDRO COC(=O)c1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C ZINC000895143844 967893844 /nfs/dbraw/zinc/89/38/44/967893844.db2.gz CTMHTNPYDBTXQC-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)cc1 ZINC000892812320 970304395 /nfs/dbraw/zinc/30/43/95/970304395.db2.gz LDWSHZQRGFXGDN-RBUKOAKNSA-N 1 0 364.461 2.887 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c(O)c1OC ZINC000893073295 970560192 /nfs/dbraw/zinc/56/01/92/970560192.db2.gz HKRZRXYGYPEBQM-CJNGLKHVSA-N 1 0 356.422 2.693 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(O)c1OC ZINC000895452153 970634254 /nfs/dbraw/zinc/63/42/54/970634254.db2.gz WAZAMDPPVRSNFY-UHFFFAOYSA-N 1 0 372.465 2.660 20 10 FFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc(OC)c3O)C2)cc1F ZINC000895502920 970673730 /nfs/dbraw/zinc/67/37/30/970673730.db2.gz HOQLRULRUZXIFK-CQSZACIVSA-N 1 0 360.385 2.831 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC2CCC([NH3+])CC2)CCCC1 ZINC000653047065 1014215776 /nfs/dbraw/zinc/21/57/76/1014215776.db2.gz BWKWPPHZOWMGJM-UHFFFAOYSA-N 1 0 355.482 2.915 20 10 FFCDRO C/C(=C\c1cccnc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608107 975914005 /nfs/dbraw/zinc/91/40/05/975914005.db2.gz PDWVFHHSZLBOEN-SAPNQHFASA-N 1 0 350.466 2.553 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1C ZINC000876531705 1014294331 /nfs/dbraw/zinc/29/43/31/1014294331.db2.gz MQGBTKVKVOXTLL-KRWDZBQOSA-N 1 0 358.438 2.699 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)N(C)C)cc1 ZINC000898448263 976460298 /nfs/dbraw/zinc/46/02/98/976460298.db2.gz RGQUVOINKQJNPR-OTWHNJEPSA-N 1 0 365.493 2.579 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)N(C)C)cc1 ZINC000898448037 976470841 /nfs/dbraw/zinc/47/08/41/976470841.db2.gz OLMFWSRKQLZDOG-FQEVSTJZSA-N 1 0 355.530 2.757 20 10 FFCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893687563 977046816 /nfs/dbraw/zinc/04/68/16/977046816.db2.gz CBNMEVUGHASJOO-ZFWWWQNUSA-N 1 0 366.458 2.756 20 10 FFCDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000728905330 977074294 /nfs/dbraw/zinc/07/42/94/977074294.db2.gz JADDPGRMMQBINX-UHFFFAOYSA-N 1 0 361.530 2.810 20 10 FFCDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)ccn1 ZINC000876965866 1014434623 /nfs/dbraw/zinc/43/46/23/1014434623.db2.gz MHPPYKRWKYRIFT-HNNXBMFYSA-N 1 0 373.472 2.911 20 10 FFCDRO COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1OC ZINC000894144985 977982656 /nfs/dbraw/zinc/98/26/56/977982656.db2.gz HRCBOYNAXCYJCM-KDURUIRLSA-N 1 0 368.477 2.973 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(O)c1OC ZINC000894205000 978155821 /nfs/dbraw/zinc/15/58/21/978155821.db2.gz UNIIAZMEIOVHJR-INIZCTEOSA-N 1 0 370.449 2.894 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCC(=O)N(C)c3ccc(N)cc3)CC2)c1 ZINC000877077420 1014469001 /nfs/dbraw/zinc/46/90/01/1014469001.db2.gz HQRXVIDVIINUBY-UHFFFAOYSA-N 1 0 352.482 2.752 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)Cc1ccccc1 ZINC000877117061 1014478293 /nfs/dbraw/zinc/47/82/93/1014478293.db2.gz ZYMKGAZAZYVTSM-VGOFRKELSA-N 1 0 354.494 2.729 20 10 FFCDRO COc1ccc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)c(O)c1OC ZINC000894265197 978502965 /nfs/dbraw/zinc/50/29/65/978502965.db2.gz GAIYCMGDJFBJBL-FMIVXFBMSA-N 1 0 370.449 2.719 20 10 FFCDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000877361099 1014562582 /nfs/dbraw/zinc/56/25/82/1014562582.db2.gz QCGYFAHCYDRYJX-HIFRSBDPSA-N 1 0 366.387 2.698 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1O ZINC000905745764 980504257 /nfs/dbraw/zinc/50/42/57/980504257.db2.gz VZABVRNFYCWIRK-UHFFFAOYSA-N 1 0 368.437 2.613 20 10 FFCDRO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001272043578 980577416 /nfs/dbraw/zinc/57/74/16/980577416.db2.gz HKRYKEFKPMGMMC-KFWWJZLASA-N 1 0 362.470 2.919 20 10 FFCDRO CCCC[C@@H](CC)C[N@@H+]1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001272044876 980614854 /nfs/dbraw/zinc/61/48/54/980614854.db2.gz ZIQJVYKFOSVFHR-CQSZACIVSA-N 1 0 362.470 2.920 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(c3cc(C(=O)OC)on3)CC2)c1O ZINC000877704157 1014692963 /nfs/dbraw/zinc/69/29/63/1014692963.db2.gz JILJLCCPTFVDHD-UHFFFAOYSA-N 1 0 360.410 2.945 20 10 FFCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000897473788 981203876 /nfs/dbraw/zinc/20/38/76/981203876.db2.gz FRZMDWKFVNKZTI-AEFFLSMTSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237486049 981993211 /nfs/dbraw/zinc/99/32/11/981993211.db2.gz MGLQAWOPNQRZJA-FXAWDEMLSA-N 1 0 373.541 2.537 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000910559950 981998202 /nfs/dbraw/zinc/99/82/02/981998202.db2.gz YJEWCRWRHCDJSJ-LJQANCHMSA-N 1 0 374.573 2.524 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000877983513 1014796877 /nfs/dbraw/zinc/79/68/77/1014796877.db2.gz NITMNEJXUUPQLQ-HXUWFJFHSA-N 1 0 360.498 2.793 20 10 FFCDRO O=C1NCCN1CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000897582442 982330830 /nfs/dbraw/zinc/33/08/30/982330830.db2.gz XMCNKOLDRPFRNM-UHFFFAOYSA-N 1 0 356.514 2.914 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](c3nccc(C(F)(F)F)n3)C1)OCO2 ZINC000897616003 982423696 /nfs/dbraw/zinc/42/36/96/982423696.db2.gz GWXCIGHLUPNLSI-JTQLQIEISA-N 1 0 367.327 2.919 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000841955860 982465528 /nfs/dbraw/zinc/46/55/28/982465528.db2.gz PYWQNVYIHFKKPQ-FXAWDEMLSA-N 1 0 370.472 2.643 20 10 FFCDRO CN(C(=O)NCCc1ccc(N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000841955709 982466178 /nfs/dbraw/zinc/46/61/78/982466178.db2.gz KXECDGSGQYBWIO-UHFFFAOYSA-N 1 0 372.435 2.870 20 10 FFCDRO CC(C)C[C@H]1CC(=O)N(CN(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000072915292 983912716 /nfs/dbraw/zinc/91/27/16/983912716.db2.gz SQZPYRCEHGFCNH-IBGZPJMESA-N 1 0 359.514 2.807 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(C3CC3)C3CC3)CC2)cc1 ZINC000163952036 984315511 /nfs/dbraw/zinc/31/55/11/984315511.db2.gz JXVLLIIMBCNCHW-UHFFFAOYSA-N 1 0 371.525 2.760 20 10 FFCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157827369 984678344 /nfs/dbraw/zinc/67/83/44/984678344.db2.gz XMRRQCDGYRKSJA-FXAWDEMLSA-N 1 0 374.529 2.566 20 10 FFCDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000764925327 984820101 /nfs/dbraw/zinc/82/01/01/984820101.db2.gz NEKYBMSLPPUAHZ-IBGZPJMESA-N 1 0 372.557 2.882 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)c1 ZINC000169217903 984857391 /nfs/dbraw/zinc/85/73/91/984857391.db2.gz OHHGFKHPLKRMFZ-UHFFFAOYSA-N 1 0 374.506 2.916 20 10 FFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)n1 ZINC000765252173 985005992 /nfs/dbraw/zinc/00/59/92/985005992.db2.gz IELIFGXWHAAEMA-KSSFIOAISA-N 1 0 367.497 2.646 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000765309559 985032462 /nfs/dbraw/zinc/03/24/62/985032462.db2.gz GDCYBIPKMHELND-UHFFFAOYSA-N 1 0 371.456 2.823 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000765625901 985240937 /nfs/dbraw/zinc/24/09/37/985240937.db2.gz JWEPCFWXCYGZDJ-XLIONFOSSA-N 1 0 360.546 2.736 20 10 FFCDRO COc1ccc([C@@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168576699 985528975 /nfs/dbraw/zinc/52/89/75/985528975.db2.gz KIYQNLXAYXPIIQ-XPGWFJOJSA-N 1 0 359.422 2.650 20 10 FFCDRO COc1ccc([C@@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)CCO2)cc1 ZINC001168576701 985529411 /nfs/dbraw/zinc/52/94/11/985529411.db2.gz KIYQNLXAYXPIIQ-YSSFQJQWSA-N 1 0 359.422 2.650 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC3(N4CCCC4)CCOCC3)CC2)cc1 ZINC000765800957 985951480 /nfs/dbraw/zinc/95/14/80/985951480.db2.gz DVYKKOUHMVLWAI-UHFFFAOYSA-N 1 0 373.541 2.899 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2F)C[C@@H](C)O1 ZINC000173919359 986018217 /nfs/dbraw/zinc/01/82/17/986018217.db2.gz XGIRCTUNEXNPSG-HUUCEWRRSA-N 1 0 363.477 2.540 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000173937068 986030557 /nfs/dbraw/zinc/03/05/57/986030557.db2.gz ZBNIAJLXFLVVHB-UHFFFAOYSA-N 1 0 358.490 2.613 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn(CC4CCC4)c3)cc2)CC1 ZINC000922263230 988276702 /nfs/dbraw/zinc/27/67/02/988276702.db2.gz SOBSEHFRZIKPSO-UHFFFAOYSA-N 1 0 354.498 2.934 20 10 FFCDRO CO[C@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)COCc1ccccc1 ZINC000702841408 990046139 /nfs/dbraw/zinc/04/61/39/990046139.db2.gz SPDKRTCYLDDUMB-HXUWFJFHSA-N 1 0 359.422 2.832 20 10 FFCDRO CC(=O)c1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918860639 990513236 /nfs/dbraw/zinc/51/32/36/990513236.db2.gz BAPKTFQLNHNNJG-UHFFFAOYSA-N 1 0 351.450 2.571 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000920921575 990933221 /nfs/dbraw/zinc/93/32/21/990933221.db2.gz MJSVYUXLEBWZOM-XKGZKEIXSA-N 1 0 372.513 2.510 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000237543350 991242979 /nfs/dbraw/zinc/24/29/79/991242979.db2.gz XZUHYRPGUSVGOU-KRWDZBQOSA-N 1 0 363.465 2.955 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000179567964 991295895 /nfs/dbraw/zinc/29/58/95/991295895.db2.gz OJIXJQGOAXELAY-QGZVFWFLSA-N 1 0 374.506 2.891 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000879648462 1015625123 /nfs/dbraw/zinc/62/51/23/1015625123.db2.gz QHHULRQUCOBILB-CABCVRRESA-N 1 0 370.449 2.561 20 10 FFCDRO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000879650020 1015625273 /nfs/dbraw/zinc/62/52/73/1015625273.db2.gz XYXDVWBZWSOZRS-GDBMZVCRSA-N 1 0 359.422 2.659 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180647437 991526727 /nfs/dbraw/zinc/52/67/27/991526727.db2.gz DHXWHLUHTCQQMO-SXAWMYDMSA-N 1 0 352.434 2.892 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000181086044 991607789 /nfs/dbraw/zinc/60/77/89/991607789.db2.gz RCNJDPNJPFSSPJ-SXAWMYDMSA-N 1 0 352.434 2.892 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000184403792 992734478 /nfs/dbraw/zinc/73/44/78/992734478.db2.gz XEACTBNFZYGYLI-KRWDZBQOSA-N 1 0 368.525 2.850 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)c(O)c1 ZINC000808435887 994116372 /nfs/dbraw/zinc/11/63/72/994116372.db2.gz BCOXXXXBOHTFLO-OAHLLOKOSA-N 1 0 358.438 2.891 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cnnn3-c3ccccc3)CC2)cc1 ZINC000808711703 994228345 /nfs/dbraw/zinc/22/83/45/994228345.db2.gz PPPILIBSAZQJHL-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)C2)cc1C ZINC001086671721 994439481 /nfs/dbraw/zinc/43/94/81/994439481.db2.gz NDMOEMWZJXMQQU-FUHWJXTLSA-N 1 0 369.465 2.793 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)c1O ZINC000809740454 994601797 /nfs/dbraw/zinc/60/17/97/994601797.db2.gz ZDZLHTCNHDCVJB-UHFFFAOYSA-N 1 0 370.449 2.596 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000809785375 994612562 /nfs/dbraw/zinc/61/25/62/994612562.db2.gz VQKQSSPYLFJUCM-SFHVURJKSA-N 1 0 374.506 2.929 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593299774 994724345 /nfs/dbraw/zinc/72/43/45/994724345.db2.gz VSCZQGYPLAPCPB-AWEZNQCLSA-N 1 0 358.438 2.882 20 10 FFCDRO CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(C(F)(F)F)cc1O ZINC000810241209 994741882 /nfs/dbraw/zinc/74/18/82/994741882.db2.gz PAQQTHLRIVJCSP-LBPRGKRZSA-N 1 0 372.347 2.530 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3ccncc3C)C[C@H]2C)cc1C ZINC001082513488 994829320 /nfs/dbraw/zinc/82/93/20/994829320.db2.gz QBKYTNTUWUBEQF-YLJYHZDGSA-N 1 0 367.493 2.886 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nn(C)cc3C)C2)cc1C ZINC001086693618 995119123 /nfs/dbraw/zinc/11/91/23/995119123.db2.gz CYIXPRUHHAUHSM-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO CC(C)OCc1nc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000811518154 995162251 /nfs/dbraw/zinc/16/22/51/995162251.db2.gz IDKIMJQZRJOZKR-MRXNPFEDSA-N 1 0 373.501 2.597 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000730087563 996836132 /nfs/dbraw/zinc/83/61/32/996836132.db2.gz WDLCOJLCLUAFRC-LEWJYISDSA-N 1 0 367.493 2.765 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC001136875054 996936237 /nfs/dbraw/zinc/93/62/37/996936237.db2.gz WWZUQOFDZGJWBF-LAUBAEHRSA-N 1 0 368.525 2.767 20 10 FFCDRO Cc1cc(CC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccc1 ZINC000824732309 997075465 /nfs/dbraw/zinc/07/54/65/997075465.db2.gz BXYTUVHIMXCDGE-SFTDATJTSA-N 1 0 367.493 2.616 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(OC)c(OC)cc3O)C2)cc1 ZINC000826846857 1016101848 /nfs/dbraw/zinc/10/18/48/1016101848.db2.gz ZRGKNTGERPOIDW-OAHLLOKOSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000825130548 997224582 /nfs/dbraw/zinc/22/45/82/997224582.db2.gz YYEAOZGLZRDZOQ-UZLBHIALSA-N 1 0 357.450 2.943 20 10 FFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000730788753 997481761 /nfs/dbraw/zinc/48/17/61/997481761.db2.gz YYPULQDZDUSFME-GOSISDBHSA-N 1 0 355.482 2.853 20 10 FFCDRO Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000844175076 997692814 /nfs/dbraw/zinc/69/28/14/997692814.db2.gz FACLQJJSXKZPDV-OXJNMPFZSA-N 1 0 353.466 2.709 20 10 FFCDRO CC[C@@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCC[NH2+]1 ZINC000844172648 997693189 /nfs/dbraw/zinc/69/31/89/997693189.db2.gz LORGGUHZYKWPSK-MDOVXXIYSA-N 1 0 363.477 2.588 20 10 FFCDRO Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000844175074 997693521 /nfs/dbraw/zinc/69/35/21/997693521.db2.gz FACLQJJSXKZPDV-JXFKEZNVSA-N 1 0 353.466 2.709 20 10 FFCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000844177718 997696905 /nfs/dbraw/zinc/69/69/05/997696905.db2.gz FRHUNZNSBZWQEP-DYVFJYSZSA-N 1 0 367.440 2.761 20 10 FFCDRO Cc1cc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c(C)n1-c1ccccn1 ZINC000844194209 997717579 /nfs/dbraw/zinc/71/75/79/997717579.db2.gz BRQWDCNJFDUCHZ-UHFFFAOYSA-N 1 0 364.453 2.862 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500620 998608982 /nfs/dbraw/zinc/60/89/82/998608982.db2.gz WVHALFYIXBWEBB-LBPRGKRZSA-N 1 0 352.431 2.683 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2c(O)cc(O)cc2O)C1 ZINC001144503824 998612201 /nfs/dbraw/zinc/61/22/01/998612201.db2.gz DWHVQDCDYFWIJS-LJQANCHMSA-N 1 0 364.442 2.779 20 10 FFCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515553 998627480 /nfs/dbraw/zinc/62/74/80/998627480.db2.gz BMTDABGZMBTRBJ-UHFFFAOYSA-N 1 0 357.410 2.590 20 10 FFCDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516475 998628507 /nfs/dbraw/zinc/62/85/07/998628507.db2.gz ZKXKATYCKVHKBM-AWEZNQCLSA-N 1 0 369.421 2.816 20 10 FFCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000845948674 998690359 /nfs/dbraw/zinc/69/03/59/998690359.db2.gz BMYAALBIZCMHRR-ZWKOTPCHSA-N 1 0 361.530 2.929 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000733979612 999163930 /nfs/dbraw/zinc/16/39/30/999163930.db2.gz XLIOGEBOOOBECS-UHFFFAOYSA-N 1 0 368.525 2.852 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000734121769 999203385 /nfs/dbraw/zinc/20/33/85/999203385.db2.gz NCPUMUJOVKNNMH-UHFFFAOYSA-N 1 0 368.525 2.722 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1 ZINC000742373031 999772663 /nfs/dbraw/zinc/77/26/63/999772663.db2.gz LYQDRIKPMKOXGT-QGZVFWFLSA-N 1 0 370.449 2.560 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CCc1cccs1)cc2=O ZINC000746168628 999952840 /nfs/dbraw/zinc/95/28/40/999952840.db2.gz UCEJLZVXWPEDKU-UHFFFAOYSA-N 1 0 374.466 2.738 20 10 FFCDRO Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001169137898 1000024625 /nfs/dbraw/zinc/02/46/25/1000024625.db2.gz XVFFYTCFXQBTFN-OAQYLSRUSA-N 1 0 365.477 2.505 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(F)c1 ZINC000845950449 1000184353 /nfs/dbraw/zinc/18/43/53/1000184353.db2.gz ZEIORDWKKPAPQD-KRWDZBQOSA-N 1 0 371.456 2.826 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000768179717 1000191795 /nfs/dbraw/zinc/19/17/95/1000191795.db2.gz MSQMERGGXNECDG-UHFFFAOYSA-N 1 0 367.493 2.842 20 10 FFCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768451017 1000250719 /nfs/dbraw/zinc/25/07/19/1000250719.db2.gz LKNPJQUVNAKMGU-IBGZPJMESA-N 1 0 370.449 2.542 20 10 FFCDRO COC[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532072 1000286406 /nfs/dbraw/zinc/28/64/06/1000286406.db2.gz IKWNDYNLXLOHQT-KRWDZBQOSA-N 1 0 359.514 2.507 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000768754896 1000340457 /nfs/dbraw/zinc/34/04/57/1000340457.db2.gz IRMWKHHQMAUNME-UHFFFAOYSA-N 1 0 366.509 2.986 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000846696415 1000411951 /nfs/dbraw/zinc/41/19/51/1000411951.db2.gz GGGOARPRINZZAL-UHFFFAOYSA-N 1 0 370.497 2.630 20 10 FFCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000770379908 1000756969 /nfs/dbraw/zinc/75/69/69/1000756969.db2.gz KJZQDPMSOWPREM-GOSISDBHSA-N 1 0 374.485 2.885 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000770381941 1000758266 /nfs/dbraw/zinc/75/82/66/1000758266.db2.gz QKSHWEHVEFEPDM-LJQANCHMSA-N 1 0 352.482 2.956 20 10 FFCDRO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccc(O)c1O ZINC001148220000 1001072887 /nfs/dbraw/zinc/07/28/87/1001072887.db2.gz KAZBQZMKWULOOZ-UHFFFAOYSA-N 1 0 354.450 2.782 20 10 FFCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000771942662 1001250693 /nfs/dbraw/zinc/25/06/93/1001250693.db2.gz CIHAFXZKHPBNAA-GOSISDBHSA-N 1 0 374.485 2.933 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c1O ZINC001276246591 1016610129 /nfs/dbraw/zinc/61/01/29/1016610129.db2.gz BIQYMMYYDSNPMW-NRFANRHFSA-N 1 0 358.482 2.513 20 10 FFCDRO COC(=O)c1cccc2c1OCCN(Cc1cc(OC)c(OC)cc1O)C2 ZINC001184077846 1002490368 /nfs/dbraw/zinc/49/03/68/1002490368.db2.gz RUJMRYYOTZMFAR-UHFFFAOYSA-N 1 0 373.405 2.591 20 10 FFCDRO OCC[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@H]1CO ZINC001184363753 1002567125 /nfs/dbraw/zinc/56/71/25/1002567125.db2.gz BUMFOTCTBZVDFG-VXKWHMMOSA-N 1 0 366.505 2.672 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[NH+](CC)CC ZINC000791250454 1002623636 /nfs/dbraw/zinc/62/36/36/1002623636.db2.gz QVEYFOQYJLWDGJ-UHFFFAOYSA-N 1 0 363.502 2.717 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000773077448 1002896670 /nfs/dbraw/zinc/89/66/70/1002896670.db2.gz DOLNKBIXTGWYGE-PKOBYXMFSA-N 1 0 360.498 2.902 20 10 FFCDRO COc1c(O)c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)ccc1[N+](=O)[O-] ZINC000774901207 1003000314 /nfs/dbraw/zinc/00/03/14/1003000314.db2.gz AOKVBVPGINQCAR-UHFFFAOYSA-N 1 0 354.366 2.785 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000792805322 1003190100 /nfs/dbraw/zinc/19/01/00/1003190100.db2.gz FLEYCGPNTIOCLP-ROUUACIJSA-N 1 0 371.447 2.802 20 10 FFCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H](C)C1 ZINC000793586255 1003431232 /nfs/dbraw/zinc/43/12/32/1003431232.db2.gz HNAYQHRCPNJQQE-QZTJIDSGSA-N 1 0 370.493 2.858 20 10 FFCDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833193 1004547133 /nfs/dbraw/zinc/54/71/33/1004547133.db2.gz HVNZIUHMAXIIGT-CYBMUJFWSA-N 1 0 372.425 2.959 20 10 FFCDRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836044 1004564723 /nfs/dbraw/zinc/56/47/23/1004564723.db2.gz XUBFRWBIOGVHCO-INIZCTEOSA-N 1 0 355.482 2.866 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000807400409 1004586124 /nfs/dbraw/zinc/58/61/24/1004586124.db2.gz BDRXUFIAAFMVKB-AUUYWEPGSA-N 1 0 357.454 2.891 20 10 FFCDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000807440337 1004602072 /nfs/dbraw/zinc/60/20/72/1004602072.db2.gz ILQOSSRHNHJZDS-DZGCQCFKSA-N 1 0 361.442 2.922 20 10 FFCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(I)cc2O)C1 ZINC001205838844 1004619669 /nfs/dbraw/zinc/61/96/69/1004619669.db2.gz DFFPGDBLQBBPFJ-GWCFXTLKSA-N 1 0 360.239 2.556 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1OC ZINC000775979243 1004949121 /nfs/dbraw/zinc/94/91/21/1004949121.db2.gz TVHSUPYBJVVKNM-ATZDWAIDSA-N 1 0 363.458 2.867 20 10 FFCDRO COc1ccsc1C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC001199792423 1005029984 /nfs/dbraw/zinc/02/99/84/1005029984.db2.gz LYKJDDSRUXGTEJ-UHFFFAOYSA-N 1 0 361.511 2.677 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001195790236 1005044061 /nfs/dbraw/zinc/04/40/61/1005044061.db2.gz RDKPLXQXCPEKJP-HNNXBMFYSA-N 1 0 351.491 2.976 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccccn3)cc2F)CC1 ZINC000106506637 1005326665 /nfs/dbraw/zinc/32/66/65/1005326665.db2.gz KYCDBCPBQFRRAA-UHFFFAOYSA-N 1 0 357.433 2.684 20 10 FFCDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000108864150 1005747275 /nfs/dbraw/zinc/74/72/75/1005747275.db2.gz SCAMUKPDNAZEBA-HZPDHXFCSA-N 1 0 363.477 2.541 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2F)C[C@H](C)O1 ZINC000850034891 1005780271 /nfs/dbraw/zinc/78/02/71/1005780271.db2.gz SXBGPDVYQNCEID-GJZGRUSLSA-N 1 0 358.461 2.872 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000850345888 1005808908 /nfs/dbraw/zinc/80/89/08/1005808908.db2.gz NASZCUBAPDQKNB-OAHLLOKOSA-N 1 0 357.410 2.981 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](CO)[C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000850354310 1005810553 /nfs/dbraw/zinc/81/05/53/1005810553.db2.gz YQCWOFUTHLXDBT-TYCQWZJGSA-N 1 0 362.514 2.820 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000850480635 1005818016 /nfs/dbraw/zinc/81/80/16/1005818016.db2.gz AQFQFPCPYOFVPZ-SJLPKXTDSA-N 1 0 359.466 2.980 20 10 FFCDRO C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850483870 1005818201 /nfs/dbraw/zinc/81/82/01/1005818201.db2.gz XABQQFXCFYLWOT-AWEZNQCLSA-N 1 0 363.458 2.842 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000850488875 1005818613 /nfs/dbraw/zinc/81/86/13/1005818613.db2.gz VMVZNIKKROBRBK-RXVVDRJESA-N 1 0 359.514 2.507 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851640529 1005902194 /nfs/dbraw/zinc/90/21/94/1005902194.db2.gz XJAZLQFVGKDOGF-UZLBHIALSA-N 1 0 351.450 2.625 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3ccco3)CC1)cc2=O ZINC000852325019 1005977393 /nfs/dbraw/zinc/97/73/93/1005977393.db2.gz XBVLHICMOCFBFY-UHFFFAOYSA-N 1 0 370.409 2.584 20 10 FFCDRO C[NH+](C)CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001187290760 1006004012 /nfs/dbraw/zinc/00/40/12/1006004012.db2.gz HUWBGZSTLLHTHJ-UHFFFAOYSA-N 1 0 354.516 2.808 20 10 FFCDRO CCC[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1ccccc1O ZINC000110737184 1006113812 /nfs/dbraw/zinc/11/38/12/1006113812.db2.gz ZITOIJGGGWKNRT-UHFFFAOYSA-N 1 0 360.429 2.939 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC001202486340 1006114427 /nfs/dbraw/zinc/11/44/27/1006114427.db2.gz FRWQSZXAPBLQDI-GHTZIAJQSA-N 1 0 360.498 2.651 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)NCc3ccccc3)CC2)cc1 ZINC000129244508 1006227011 /nfs/dbraw/zinc/22/70/11/1006227011.db2.gz HYIQPSYSBJXNKD-UHFFFAOYSA-N 1 0 367.493 2.960 20 10 FFCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121365 1006305785 /nfs/dbraw/zinc/30/57/85/1006305785.db2.gz CZCRFMLPMGBPDJ-HTAPYJJXSA-N 1 0 354.494 2.902 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2OCO3)[NH+](C)C)cc1 ZINC001134681732 1006444214 /nfs/dbraw/zinc/44/42/14/1006444214.db2.gz DUIYHORLRRLRBJ-QGZVFWFLSA-N 1 0 355.438 2.514 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC3(C)C)CC2)cc1 ZINC000854309131 1006769156 /nfs/dbraw/zinc/76/91/56/1006769156.db2.gz GEWWNKSGMRHTEZ-LJQANCHMSA-N 1 0 359.514 2.760 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000775254911 1007096245 /nfs/dbraw/zinc/09/62/45/1007096245.db2.gz KSPMCDSYCNYELB-QGZVFWFLSA-N 1 0 359.514 2.870 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258435 1007127845 /nfs/dbraw/zinc/12/78/45/1007127845.db2.gz ALEVHCNHWPGCLI-ZWOKBUDYSA-N 1 0 359.514 2.869 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)cc1 ZINC000855231465 1007199104 /nfs/dbraw/zinc/19/91/04/1007199104.db2.gz ADWVPDDHGNSAHX-OXQOHEQNSA-N 1 0 357.498 2.797 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000113336822 1007340516 /nfs/dbraw/zinc/34/05/16/1007340516.db2.gz PYNCBPBBVDJSRM-UHFFFAOYSA-N 1 0 374.506 2.891 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000817178679 1007458734 /nfs/dbraw/zinc/45/87/34/1007458734.db2.gz GCQDJJYEQKTQGL-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO Cc1c([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nnn1-c1ccccc1 ZINC000817938093 1007818487 /nfs/dbraw/zinc/81/84/87/1007818487.db2.gz DJQIOGLMLRJUEK-FOIQADDNSA-N 1 0 364.497 2.992 20 10 FFCDRO Cc1cccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001191009237 1007870081 /nfs/dbraw/zinc/87/00/81/1007870081.db2.gz CAYKYIIRKQTQMU-UHFFFAOYSA-N 1 0 352.482 2.746 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000114584339 1007969245 /nfs/dbraw/zinc/96/92/45/1007969245.db2.gz GTKFFEYFQBASQW-UHFFFAOYSA-N 1 0 357.454 2.722 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966635 1007980922 /nfs/dbraw/zinc/98/09/22/1007980922.db2.gz LYHMJOTTYLPUAU-SOLBZPMBSA-N 1 0 368.493 2.562 20 10 FFCDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818967672 1008010498 /nfs/dbraw/zinc/01/04/98/1008010498.db2.gz YKCPEIQOJKPDRQ-FQEVSTJZSA-N 1 0 362.420 2.933 20 10 FFCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000818973434 1008013450 /nfs/dbraw/zinc/01/34/50/1008013450.db2.gz QEFJHYZFOZGQCO-NRFANRHFSA-N 1 0 370.493 2.670 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094879 1008032139 /nfs/dbraw/zinc/03/21/39/1008032139.db2.gz OYCLRPPDHZPGEX-NRFANRHFSA-N 1 0 368.477 2.739 20 10 FFCDRO C[C@H]1CCC[N@@H+](C(C)(C)CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164068 1008053101 /nfs/dbraw/zinc/05/31/01/1008053101.db2.gz GFBFUPHGGCVPRK-HNNXBMFYSA-N 1 0 359.470 2.667 20 10 FFCDRO CC(C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)[NH+]1CCC(C)CC1 ZINC000819163846 1008053462 /nfs/dbraw/zinc/05/34/62/1008053462.db2.gz BEZKYIPTSRHCJT-SFHVURJKSA-N 1 0 373.497 2.913 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000819381600 1008128653 /nfs/dbraw/zinc/12/86/53/1008128653.db2.gz ZUCAYQMVSNFANF-FPOVZHCZSA-N 1 0 370.493 2.689 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCC(=O)Nc3cccnc3)C2)cc1 ZINC000819380693 1008128754 /nfs/dbraw/zinc/12/87/54/1008128754.db2.gz RPCWGMNBLSLACS-INIZCTEOSA-N 1 0 354.454 2.535 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3C[NH+](C4CCCCC4)C3)C2)cc1 ZINC000819586536 1008184011 /nfs/dbraw/zinc/18/40/11/1008184011.db2.gz APLPOZDUTHEKKF-KRWDZBQOSA-N 1 0 371.525 2.902 20 10 FFCDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1C ZINC000858106767 1008302841 /nfs/dbraw/zinc/30/28/41/1008302841.db2.gz RFOBTCGSPNUWAV-UHFFFAOYSA-N 1 0 371.481 2.935 20 10 FFCDRO CN(C)c1cc(F)c(CNc2cc(C(N)=O)ccc2C[NH+](C)C)cc1F ZINC000858152515 1008312310 /nfs/dbraw/zinc/31/23/10/1008312310.db2.gz SXWUHTFAHQHCOS-UHFFFAOYSA-N 1 0 362.424 2.803 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858306310 1008342857 /nfs/dbraw/zinc/34/28/57/1008342857.db2.gz LUNWVEPWIXJMSX-JOCHJYFZSA-N 1 0 368.525 2.918 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncccc3OC)CC2)cc1 ZINC000858326643 1008346546 /nfs/dbraw/zinc/34/65/46/1008346546.db2.gz ZEVDDQSOPGFUQV-UHFFFAOYSA-N 1 0 356.470 2.723 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489944 1008368452 /nfs/dbraw/zinc/36/84/52/1008368452.db2.gz PZODXNIQNIGQCL-GXTWGEPZSA-N 1 0 372.860 2.721 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000821331687 1008442520 /nfs/dbraw/zinc/44/25/20/1008442520.db2.gz CXJSSTBCVPSIDN-IBGZPJMESA-N 1 0 366.509 2.986 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCc4cccnc43)cc2)C1 ZINC000886508714 1008707175 /nfs/dbraw/zinc/70/71/75/1008707175.db2.gz LKBYREAAQZFZKR-HKUYNNGSSA-N 1 0 350.466 2.560 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000886509007 1008708685 /nfs/dbraw/zinc/70/86/85/1008708685.db2.gz XHVUAGQTLATWCW-PXNSSMCTSA-N 1 0 369.513 2.609 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000822692420 1008737021 /nfs/dbraw/zinc/73/70/21/1008737021.db2.gz ZETRFDREDPKIOH-ROUUACIJSA-N 1 0 374.529 2.553 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000886634598 1008786125 /nfs/dbraw/zinc/78/61/25/1008786125.db2.gz HQJURLFITXIEAC-YOEHRIQHSA-N 1 0 355.438 2.806 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822967944 1008843241 /nfs/dbraw/zinc/84/32/41/1008843241.db2.gz TXMDJSZZVKVAQZ-IAGOWNOFSA-N 1 0 362.518 2.551 20 10 FFCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886749542 1008858940 /nfs/dbraw/zinc/85/89/40/1008858940.db2.gz VZTVXXIXZLASKF-INIZCTEOSA-N 1 0 352.482 2.943 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000823124895 1008928927 /nfs/dbraw/zinc/92/89/27/1008928927.db2.gz JLOZSAUOMMXHKA-SFHVURJKSA-N 1 0 361.486 2.567 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c2cc(F)ccc2n1C ZINC001206620586 1032367901 /nfs/dbraw/zinc/36/79/01/1032367901.db2.gz KUMKRNGVWXNCJJ-FQEVSTJZSA-N 1 0 360.429 2.841 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000126224533 1009219922 /nfs/dbraw/zinc/21/99/22/1009219922.db2.gz KEKXYHFKJYEOLA-OAHLLOKOSA-N 1 0 357.429 2.952 20 10 FFCDRO CC1CC[NH+](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 ZINC000302740885 1009616531 /nfs/dbraw/zinc/61/65/31/1009616531.db2.gz KDKSKQLVGBILHY-OAQYLSRUSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661411 1010044174 /nfs/dbraw/zinc/04/41/74/1010044174.db2.gz ZSHMFOVFPKMUGK-OAHLLOKOSA-N 1 0 366.456 2.768 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCc4occc4C3)cc2)CC1 ZINC000889663858 1010046058 /nfs/dbraw/zinc/04/60/58/1010046058.db2.gz WGSFOIBLBGZFCN-UHFFFAOYSA-N 1 0 368.481 2.689 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(C1CC1)C1CC1 ZINC000889669746 1010048319 /nfs/dbraw/zinc/04/83/19/1010048319.db2.gz DQDQGBWVZZZNHD-UHFFFAOYSA-N 1 0 356.514 2.768 20 10 FFCDRO Cc1ncc(CN(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000889673653 1010049723 /nfs/dbraw/zinc/04/97/23/1010049723.db2.gz LNCMIBWZICPXLD-UHFFFAOYSA-N 1 0 373.526 2.545 20 10 FFCDRO COC[C@@]1(C)C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000863340348 1010186470 /nfs/dbraw/zinc/18/64/70/1010186470.db2.gz KGZTUTSVNXRCQT-HXUWFJFHSA-N 1 0 359.422 2.569 20 10 FFCDRO Cc1cc(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)n1-c1ccccc1 ZINC000826674054 1010244658 /nfs/dbraw/zinc/24/46/58/1010244658.db2.gz QAPSGAJPHKPXIE-UHFFFAOYSA-N 1 0 369.509 2.552 20 10 FFCDRO C[NH+](C)CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000119895475 1010414805 /nfs/dbraw/zinc/41/48/05/1010414805.db2.gz MNVBLLJHKJPLON-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cncnc3C)C[C@H]2C)cc1C ZINC001093654069 1010420023 /nfs/dbraw/zinc/42/00/23/1010420023.db2.gz VWNXVVUTCGZFDT-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3cc(C)on3)C[C@H]2C)cc1C ZINC001093680467 1010443137 /nfs/dbraw/zinc/44/31/37/1010443137.db2.gz JHFNRDLBNRYJTL-CRAIPNDOSA-N 1 0 371.481 2.727 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2C)cc1C ZINC001093732552 1010509630 /nfs/dbraw/zinc/50/96/30/1010509630.db2.gz MGHSWYZUWUYULX-VQIMIIECSA-N 1 0 358.482 2.534 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](OC)C3CC3)C[C@H]2C)cc1C ZINC001093749248 1010521056 /nfs/dbraw/zinc/52/10/56/1010521056.db2.gz QCOUYVXFOOEOCW-XFQXTVEOSA-N 1 0 360.498 2.613 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C)cc1C ZINC001093743707 1010549641 /nfs/dbraw/zinc/54/96/41/1010549641.db2.gz IIGBUFIYCCEWFT-SJLPKXTDSA-N 1 0 370.497 2.544 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C)CCC3CC3)CC2)cc1 ZINC000120212898 1010571868 /nfs/dbraw/zinc/57/18/68/1010571868.db2.gz LTIDQDOESWLJLY-UHFFFAOYSA-N 1 0 374.529 2.649 20 10 FFCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000794801339 1010631644 /nfs/dbraw/zinc/63/16/44/1010631644.db2.gz IMSZILVGYUKALL-FQEVSTJZSA-N 1 0 354.498 2.796 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)cc1C ZINC001093917901 1010679128 /nfs/dbraw/zinc/67/91/28/1010679128.db2.gz HHAOLQNPZKNXIN-SJLPKXTDSA-N 1 0 371.481 2.809 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(C)cc1O ZINC000794805887 1010685723 /nfs/dbraw/zinc/68/57/23/1010685723.db2.gz RQNLZDGRUHDZDN-UWJYYQICSA-N 1 0 367.449 2.996 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3ccncc3)cc2F)CC1 ZINC000865201576 1010746703 /nfs/dbraw/zinc/74/67/03/1010746703.db2.gz HURQCERIWCKYPI-MRXNPFEDSA-N 1 0 370.472 2.783 20 10 FFCDRO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865806179 1010867481 /nfs/dbraw/zinc/86/74/81/1010867481.db2.gz HKGVRVXKHCLPDJ-NRFANRHFSA-N 1 0 355.457 2.939 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001276881209 1033395322 /nfs/dbraw/zinc/39/53/22/1033395322.db2.gz KWPMTMTZCOBFAT-GFCCVEGCSA-N 1 0 371.250 2.642 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC000866526777 1011011769 /nfs/dbraw/zinc/01/17/69/1011011769.db2.gz BXHGZUZZMFXRJS-AWEZNQCLSA-N 1 0 364.486 2.858 20 10 FFCDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000122105932 1011240866 /nfs/dbraw/zinc/24/08/66/1011240866.db2.gz NOHHGPNBZYXJNE-UHFFFAOYSA-N 1 0 371.456 2.540 20 10 FFCDRO O[C@H](CNCc1ccc2c(c1)CCN2Cc1ccccc1)C[NH+]1CCCC1 ZINC000796278159 1011620712 /nfs/dbraw/zinc/62/07/12/1011620712.db2.gz HXGCVDAVPOXYFR-JOCHJYFZSA-N 1 0 365.521 2.796 20 10 FFCDRO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001275034707 1011842166 /nfs/dbraw/zinc/84/21/66/1011842166.db2.gz KTFLWHOVIDAGMI-QGZVFWFLSA-N 1 0 372.387 2.865 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)c1O ZINC000828078330 1032593475 /nfs/dbraw/zinc/59/34/75/1032593475.db2.gz CZPKJSQSGLGJIX-UHFFFAOYSA-N 1 0 368.481 2.707 20 10 FFCDRO CN(C)c1ccc(CN2C[C@@]3(F)CN(CC4CCC4)C[C@@]3(F)C2=O)cc1 ZINC001275148852 1012001720 /nfs/dbraw/zinc/00/17/20/1012001720.db2.gz PTQZXICEFAFRDK-VQTJNVASSA-N 1 0 363.452 2.627 20 10 FFCDRO Cc1noc(C)c1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001275232348 1012114836 /nfs/dbraw/zinc/11/48/36/1012114836.db2.gz OMONTZAXPWWSAR-QZTJIDSGSA-N 1 0 355.438 2.763 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)C(C)(C)C)c1 ZINC001275239233 1012128548 /nfs/dbraw/zinc/12/85/48/1012128548.db2.gz SMOGHOVKPYUDEE-IAGOWNOFSA-N 1 0 358.482 2.881 20 10 FFCDRO COCCCN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001275253583 1012152842 /nfs/dbraw/zinc/15/28/42/1012152842.db2.gz CYFGBSDNWCPCKC-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1 ZINC001275254108 1012153135 /nfs/dbraw/zinc/15/31/35/1012153135.db2.gz LEOAWSVCFPGLAG-UHFFFAOYSA-N 1 0 368.424 2.871 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1O ZINC001275278773 1012191450 /nfs/dbraw/zinc/19/14/50/1012191450.db2.gz DALVGQHTBWUHRN-ZDUSSCGKSA-N 1 0 372.387 2.687 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1C(=O)OC(C)(C)C ZINC001173055390 1012211954 /nfs/dbraw/zinc/21/19/54/1012211954.db2.gz ITSHYYXAEZTVKZ-TZMCWYRMSA-N 1 0 366.458 2.724 20 10 FFCDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173054457 1012212286 /nfs/dbraw/zinc/21/22/86/1012212286.db2.gz MZSRIDOCJGWPNC-JDFRZJQESA-N 1 0 366.458 2.509 20 10 FFCDRO C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173054458 1012213705 /nfs/dbraw/zinc/21/37/05/1012213705.db2.gz MZSRIDOCJGWPNC-QEORTHHSSA-N 1 0 366.458 2.509 20 10 FFCDRO COc1cccc2c1C[C@H]([N@H+](C)Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001173162770 1012310537 /nfs/dbraw/zinc/31/05/37/1012310537.db2.gz ZDQZSHKGAIPYTH-IBGZPJMESA-N 1 0 368.477 2.967 20 10 FFCDRO Cc1nc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccc(O)cc3O)C2=O)cs1 ZINC001275672974 1012820323 /nfs/dbraw/zinc/82/03/23/1012820323.db2.gz UELYFHCCFOSWKC-IBGZPJMESA-N 1 0 373.478 2.630 20 10 FFCDRO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275770681 1012985599 /nfs/dbraw/zinc/98/55/99/1012985599.db2.gz FLMDTMVSJXADFG-SFHVURJKSA-N 1 0 360.498 2.764 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000925328899 1017707972 /nfs/dbraw/zinc/70/79/72/1017707972.db2.gz JDTBIRNBFBKFCH-QGZVFWFLSA-N 1 0 357.454 2.563 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000748961930 1017870465 /nfs/dbraw/zinc/87/04/65/1017870465.db2.gz SPSJJVREVOGFSL-YLJYHZDGSA-N 1 0 374.529 2.537 20 10 FFCDRO OCC1([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccncc2)CCC1 ZINC000827933652 1019021787 /nfs/dbraw/zinc/02/17/87/1019021787.db2.gz ALHWPGJJSOLVFR-NRFANRHFSA-N 1 0 367.493 2.912 20 10 FFCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000389811226 1019695325 /nfs/dbraw/zinc/69/53/25/1019695325.db2.gz ZFQNTFOFVWIQJB-JSGCOSHPSA-N 1 0 364.442 2.856 20 10 FFCDRO COC(=O)c1ccc(O)c([C@H](C)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903381367 1020815267 /nfs/dbraw/zinc/81/52/67/1020815267.db2.gz WAWXXJZYFZSPTD-KBXCAEBGSA-N 1 0 357.454 2.917 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000903390312 1020819325 /nfs/dbraw/zinc/81/93/25/1020819325.db2.gz UQAUNPHDMZMEAE-BEFAXECRSA-N 1 0 364.461 2.651 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218016820 1032954182 /nfs/dbraw/zinc/95/41/82/1032954182.db2.gz GMMQBEYRXSVZOE-HOCLYGCPSA-N 1 0 369.392 2.945 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218016817 1032954645 /nfs/dbraw/zinc/95/46/45/1032954645.db2.gz GMMQBEYRXSVZOE-GDBMZVCRSA-N 1 0 369.392 2.945 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000934705129 1021362629 /nfs/dbraw/zinc/36/26/29/1021362629.db2.gz QPUTUBIDWRBGHO-UHFFFAOYSA-N 1 0 356.466 2.924 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(n2cccn2)CC1 ZINC000934940976 1021477901 /nfs/dbraw/zinc/47/79/01/1021477901.db2.gz TYQCWZDXYORCAA-INIZCTEOSA-N 1 0 374.872 2.512 20 10 FFCDRO COCCCC[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001276367324 1021600377 /nfs/dbraw/zinc/60/03/77/1021600377.db2.gz LDAHRECLBANWOM-OAQYLSRUSA-N 1 0 359.514 2.746 20 10 FFCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C(O[C@@H]2CN3C[C@H]2[NH2+]CC3)=C1 ZINC001218111009 1033003231 /nfs/dbraw/zinc/00/32/31/1033003231.db2.gz PVZLYMOBEKVCHS-MJJLBULHSA-N 1 0 369.381 2.751 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCN2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000721869270 1022658837 /nfs/dbraw/zinc/65/88/37/1022658837.db2.gz LEBNUUHQMKINPK-UHFFFAOYSA-N 1 0 363.502 2.779 20 10 FFCDRO Cc1cccc(C[NH2+]CCN2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000721882699 1022662663 /nfs/dbraw/zinc/66/26/63/1022662663.db2.gz ZGUGSDWVVYNGDH-UHFFFAOYSA-N 1 0 363.502 2.779 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@H]3CCC[NH2+]C3)c21 ZINC001218284813 1033087077 /nfs/dbraw/zinc/08/70/77/1033087077.db2.gz DCPRTCQKQYPBAO-NSHDSACASA-N 1 0 352.346 2.501 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)[C@@H](C)C3)cc2F)CC1 ZINC000752953229 1023234036 /nfs/dbraw/zinc/23/40/36/1023234036.db2.gz JSMRIIGNMQDXIR-HOTGVXAUSA-N 1 0 362.493 2.765 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1c(F)cccc1F ZINC000076549295 1023320204 /nfs/dbraw/zinc/32/02/04/1023320204.db2.gz DRQFYAZLEMYGBD-IBGZPJMESA-N 1 0 362.420 2.967 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCOCC2)cc1 ZINC000753732279 1023373598 /nfs/dbraw/zinc/37/35/98/1023373598.db2.gz QIFTXSXIPHUZHU-AWEZNQCLSA-N 1 0 352.438 2.956 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C)[C@H]3CC[NH3+])CC2)cc1 ZINC001120589535 1023373803 /nfs/dbraw/zinc/37/38/03/1023373803.db2.gz PBCBOEIFFPVONQ-OXQOHEQNSA-N 1 0 374.529 2.823 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cc1F ZINC000753739165 1023374224 /nfs/dbraw/zinc/37/42/24/1023374224.db2.gz QXLAUVNMVWGRGI-INIZCTEOSA-N 1 0 363.477 2.747 20 10 FFCDRO CCN(C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000779222540 1023382739 /nfs/dbraw/zinc/38/27/39/1023382739.db2.gz QJSKNUVOZNXMKU-OAQYLSRUSA-N 1 0 369.509 2.705 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)c3ccc(C)cc3)CC2)cc1 ZINC000754026518 1023416724 /nfs/dbraw/zinc/41/67/24/1023416724.db2.gz UBIZEVKOTICPNY-OAQYLSRUSA-N 1 0 369.509 2.623 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000755121951 1023567431 /nfs/dbraw/zinc/56/74/31/1023567431.db2.gz YEIOKZOUIICTHF-PONJGIIJSA-N 1 0 367.493 2.912 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc3ccc(OC)cc31)CC2 ZINC001276835788 1033142282 /nfs/dbraw/zinc/14/22/82/1033142282.db2.gz SGMPUNNRFUPZBA-SFHVURJKSA-N 1 0 354.450 2.902 20 10 FFCDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218426786 1033148596 /nfs/dbraw/zinc/14/85/96/1033148596.db2.gz XWPSZXDDXQEWRH-ABAIWWIYSA-N 1 0 366.373 2.747 20 10 FFCDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001218426789 1033149096 /nfs/dbraw/zinc/14/90/96/1033149096.db2.gz XWPSZXDDXQEWRH-IAQYHMDHSA-N 1 0 366.373 2.747 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)cc1 ZINC000756480428 1023717360 /nfs/dbraw/zinc/71/73/60/1023717360.db2.gz WNHUXQDFPMIELY-WBMJQRKESA-N 1 0 358.413 2.994 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000756482920 1023718097 /nfs/dbraw/zinc/71/80/97/1023718097.db2.gz LBCUWBLPVZYGKL-OWCLPIDISA-N 1 0 364.486 2.719 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC000756593238 1023733057 /nfs/dbraw/zinc/73/30/57/1023733057.db2.gz WXIJAWHFHXRMAG-ROUUACIJSA-N 1 0 354.498 2.957 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000756705042 1023747873 /nfs/dbraw/zinc/74/78/73/1023747873.db2.gz USXTVZQOPPZXPN-IBGZPJMESA-N 1 0 358.530 2.934 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000756865462 1023760854 /nfs/dbraw/zinc/76/08/54/1023760854.db2.gz ZWSOKGRZERUMDE-RTBURBONSA-N 1 0 371.433 2.712 20 10 FFCDRO C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000078375318 1023811920 /nfs/dbraw/zinc/81/19/20/1023811920.db2.gz XLEXCZNTPLWNDW-UHFFFAOYSA-N 1 0 353.466 2.984 20 10 FFCDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C[N@@H+]2C1 ZINC001123484377 1023824233 /nfs/dbraw/zinc/82/42/33/1023824233.db2.gz SWTRGCZMLAWKAZ-QFUCXCTJSA-N 1 0 371.525 2.602 20 10 FFCDRO CN(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1cc[nH+]cc1 ZINC000779484372 1023932864 /nfs/dbraw/zinc/93/28/64/1023932864.db2.gz BYVDDADFAWCMSC-LJQANCHMSA-N 1 0 369.465 2.821 20 10 FFCDRO CC[NH+]1CCC(n2nccc2NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000779515348 1023948984 /nfs/dbraw/zinc/94/89/84/1023948984.db2.gz UHLZTQVTBJSTTI-XQRVVYSFSA-N 1 0 356.426 2.603 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000758483117 1024136247 /nfs/dbraw/zinc/13/62/47/1024136247.db2.gz LNQPGBMFKPHHQF-SFHVURJKSA-N 1 0 356.466 2.782 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(C[C@@H]4C(=O)NC4CCC4)CC3)ccc21 ZINC001141141038 1025509413 /nfs/dbraw/zinc/50/94/13/1025509413.db2.gz OGLSMPKFYHAOFV-GOSISDBHSA-N 1 0 369.509 2.786 20 10 FFCDRO CN1CCOc2cc(CN3CC[NH+](CCc4cccs4)CC3)ccc21 ZINC001141143387 1025517060 /nfs/dbraw/zinc/51/70/60/1025517060.db2.gz XBVDVCRFEBKFNK-UHFFFAOYSA-N 1 0 357.523 2.937 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC4(CC3)OC(=O)c3ncccc34)ccc21 ZINC001141144194 1025518156 /nfs/dbraw/zinc/51/81/56/1025518156.db2.gz DKJYQDWMXGGOPH-UHFFFAOYSA-N 1 0 365.433 2.572 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)ccc21 ZINC001141145551 1025521896 /nfs/dbraw/zinc/52/18/96/1025521896.db2.gz VUCRAZFKJZDJNW-RDJZCZTQSA-N 1 0 359.470 2.566 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001141157348 1025539436 /nfs/dbraw/zinc/53/94/36/1025539436.db2.gz GKJKWPHOTCKWLH-LAUBAEHRSA-N 1 0 370.449 2.943 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000838032094 1026177076 /nfs/dbraw/zinc/17/70/76/1026177076.db2.gz RQQZGCZIHGUFQR-NRFANRHFSA-N 1 0 356.514 2.696 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000840479674 1027089235 /nfs/dbraw/zinc/08/92/35/1027089235.db2.gz QOSZHXIOZBBMEA-UZLBHIALSA-N 1 0 358.530 2.870 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccccc1C ZINC001159084631 1027261400 /nfs/dbraw/zinc/26/14/00/1027261400.db2.gz VDZZVVZKHPKWDQ-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO O=C(c1ccncc1)c1ccccc1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001160264035 1027653343 /nfs/dbraw/zinc/65/33/43/1027653343.db2.gz RRBGIKGMTOFNIU-UHFFFAOYSA-N 1 0 359.433 2.861 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534737 1027755130 /nfs/dbraw/zinc/75/51/30/1027755130.db2.gz BKQGSQPEWVDYNK-AWEZNQCLSA-N 1 0 358.398 2.781 20 10 FFCDRO Nc1nc(Cl)cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160616857 1027777924 /nfs/dbraw/zinc/77/79/24/1027777924.db2.gz WAIQLKIWDDWQNZ-IAGOWNOFSA-N 1 0 371.828 2.977 20 10 FFCDRO Nc1ccc(CC(=O)N(c2ncnc3ccccc32)C2CC[NH2+]CC2)cc1 ZINC001161090279 1028006870 /nfs/dbraw/zinc/00/68/70/1028006870.db2.gz KJEJPHWEODYCGL-UHFFFAOYSA-N 1 0 361.449 2.540 20 10 FFCDRO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001103767035 1028168748 /nfs/dbraw/zinc/16/87/48/1028168748.db2.gz WPSCBUNVBPIILC-CZUORRHYSA-N 1 0 357.458 2.947 20 10 FFCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532151 1028217708 /nfs/dbraw/zinc/21/77/08/1028217708.db2.gz OCRRGSZYBIVOMM-BBRMVZONSA-N 1 0 371.403 2.622 20 10 FFCDRO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534084 1028218734 /nfs/dbraw/zinc/21/87/34/1028218734.db2.gz DORFWPJFWWBTBO-CQSZACIVSA-N 1 0 371.403 2.624 20 10 FFCDRO COC(=O)c1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155629758 1028824509 /nfs/dbraw/zinc/82/45/09/1028824509.db2.gz OMTRPOGAFSDGCN-IXIUHKBRSA-N 1 0 368.481 2.663 20 10 FFCDRO CCCc1cc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n2ncnc2n1 ZINC001164318751 1029243860 /nfs/dbraw/zinc/24/38/60/1029243860.db2.gz YBXTZYRRSBQPSB-SFHVURJKSA-N 1 0 367.501 2.858 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc4nccc-4[n-][nH+]3)CC2)cc1 ZINC001164330105 1029247946 /nfs/dbraw/zinc/24/79/46/1029247946.db2.gz KMMGRSKEIBIQTB-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cncnc3C3CC3)CC2)cc1 ZINC001164334664 1029249138 /nfs/dbraw/zinc/24/91/38/1029249138.db2.gz VPPMGDGSWPKSGX-UHFFFAOYSA-N 1 0 367.497 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H](F)Oc3ccnc(Cl)c3)cc2)CC1 ZINC001156655761 1029291757 /nfs/dbraw/zinc/29/17/57/1029291757.db2.gz JGPSDLCMMVEPKI-SFHVURJKSA-N 1 0 364.852 2.909 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4ccccn4)nn3)cc2)CC1 ZINC001156660358 1029292560 /nfs/dbraw/zinc/29/25/60/1029292560.db2.gz VTJITFJUJUDGCQ-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000840953448 1029940792 /nfs/dbraw/zinc/94/07/92/1029940792.db2.gz QUZCJOFMTPOVMN-UHFFFAOYSA-N 1 0 355.442 2.686 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000840949439 1029942175 /nfs/dbraw/zinc/94/21/75/1029942175.db2.gz WBGVSOQDJFRWBT-NRFANRHFSA-N 1 0 351.494 2.994 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CC1 ZINC000840965736 1029948254 /nfs/dbraw/zinc/94/82/54/1029948254.db2.gz IRUBEBJAWJPMPC-UHFFFAOYSA-N 1 0 370.518 2.916 20 10 FFCDRO Cc1cc(C)cc(-n2ncc(CNC[C@H]([NH3+])c3ccc(N(C)C)cc3)n2)c1 ZINC000841045838 1030000986 /nfs/dbraw/zinc/00/09/86/1030000986.db2.gz REPTUKAQSUXRKC-NRFANRHFSA-N 1 0 364.497 2.740 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841073147 1030018058 /nfs/dbraw/zinc/01/80/58/1030018058.db2.gz RBZKZKPALDWRIX-MRXNPFEDSA-N 1 0 372.513 2.710 20 10 FFCDRO O=C(NCc1ccccc1O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841276863 1030150682 /nfs/dbraw/zinc/15/06/82/1030150682.db2.gz ZDWUTTFUYCRYQM-KRWDZBQOSA-N 1 0 369.421 2.623 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000841608231 1030364475 /nfs/dbraw/zinc/36/44/75/1030364475.db2.gz YSPXIILACAEZBL-FQEVSTJZSA-N 1 0 352.482 2.948 20 10 FFCDRO [NH3+][C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000841707044 1030418834 /nfs/dbraw/zinc/41/88/34/1030418834.db2.gz MIDSFGGNYWOHNO-LJQANCHMSA-N 1 0 370.522 2.739 20 10 FFCDRO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000841741797 1030440029 /nfs/dbraw/zinc/44/00/29/1030440029.db2.gz QUIGTYBXRWDSSF-KRWDZBQOSA-N 1 0 374.529 2.615 20 10 FFCDRO C[C@@H](CCC[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782858 1030463484 /nfs/dbraw/zinc/46/34/84/1030463484.db2.gz SMLYQIXJXVQVQT-ZDUSSCGKSA-N 1 0 370.444 2.683 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000841793383 1030470176 /nfs/dbraw/zinc/47/01/76/1030470176.db2.gz JONRSPZFTWMATE-KDURUIRLSA-N 1 0 356.514 2.959 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841877329 1030514345 /nfs/dbraw/zinc/51/43/45/1030514345.db2.gz MWLBVQKWRZPBOQ-OXJNMPFZSA-N 1 0 352.482 2.631 20 10 FFCDRO COCCN1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000784574366 1030693058 /nfs/dbraw/zinc/69/30/58/1030693058.db2.gz ZGVGAYLQSMJKJR-CVEARBPZSA-N 1 0 369.456 2.567 20 10 FFCDRO COc1ccc([C@H](C[NH3+])CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000842473298 1030747694 /nfs/dbraw/zinc/74/76/94/1030747694.db2.gz TVSYEUOWMYSTJJ-OAHLLOKOSA-N 1 0 360.454 2.900 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c1O ZINC001203615667 1030787508 /nfs/dbraw/zinc/78/75/08/1030787508.db2.gz VXWHUVVSEMYHML-UHFFFAOYSA-N 1 0 354.406 2.848 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c(O)c1 ZINC001203621323 1030787996 /nfs/dbraw/zinc/78/79/96/1030787996.db2.gz ABTLDGVGUDTKBE-UHFFFAOYSA-N 1 0 354.454 2.826 20 10 FFCDRO CCOC[C@@H]1CN(Cc2ccc(OC)cc2O)Cc2nnn(CC3CC3)c21 ZINC001203622227 1030788821 /nfs/dbraw/zinc/78/88/21/1030788821.db2.gz VBITYWPERUBNID-INIZCTEOSA-N 1 0 372.469 2.538 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c(O)c1 ZINC001203622251 1030792717 /nfs/dbraw/zinc/79/27/17/1030792717.db2.gz VOARJLMZZDZIJX-QFBILLFUSA-N 1 0 370.424 2.630 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001203634595 1030798177 /nfs/dbraw/zinc/79/81/77/1030798177.db2.gz MXYJEKJQRRDKDZ-FQEVSTJZSA-N 1 0 356.466 2.734 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001203642902 1030801948 /nfs/dbraw/zinc/80/19/48/1030801948.db2.gz PUWJCVHXACHVRT-ZMSDIMECSA-N 1 0 368.271 2.781 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664162 1030811916 /nfs/dbraw/zinc/81/19/16/1030811916.db2.gz PIMDSSBKLZLWTR-OAHLLOKOSA-N 1 0 354.878 2.941 20 10 FFCDRO CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203665863 1030814642 /nfs/dbraw/zinc/81/46/42/1030814642.db2.gz YNZWUSABZHUMER-UHFFFAOYSA-N 1 0 372.918 2.683 20 10 FFCDRO COc1ccc(O)c(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1 ZINC001203669777 1030816721 /nfs/dbraw/zinc/81/67/21/1030816721.db2.gz DKDGTDRQXDEAGL-QZTJIDSGSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC001203673170 1030821010 /nfs/dbraw/zinc/82/10/10/1030821010.db2.gz PNQPSKKOAUDBOM-NQIIRXRSSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC001203675443 1030821647 /nfs/dbraw/zinc/82/16/47/1030821647.db2.gz WWHRFHYBOKBWHA-UHFFFAOYSA-N 1 0 362.433 2.854 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCCN3Cc3ccn(C)n3)CC2)c1 ZINC001203675282 1030822849 /nfs/dbraw/zinc/82/28/49/1030822849.db2.gz SDZPLONEYVXSPL-UHFFFAOYSA-N 1 0 370.497 2.765 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001203684105 1030829385 /nfs/dbraw/zinc/82/93/85/1030829385.db2.gz NCYYVSQIZVJAJA-CYBMUJFWSA-N 1 0 369.343 2.863 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1-n1ccnn1 ZINC000796702163 1030888622 /nfs/dbraw/zinc/88/86/22/1030888622.db2.gz KKNIKSAVNIWSEP-KRWDZBQOSA-N 1 0 363.465 2.955 20 10 FFCDRO COc1ncncc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000842687002 1030901562 /nfs/dbraw/zinc/90/15/62/1030901562.db2.gz RWAQMKFFIOGRMQ-CQSZACIVSA-N 1 0 364.396 2.845 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccnn3-c3ccccn3)C2)cc1 ZINC000842713989 1030917125 /nfs/dbraw/zinc/91/71/25/1030917125.db2.gz LOTWLALHJUPUNC-KRWDZBQOSA-N 1 0 363.465 2.892 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H](Cc2ccc(F)cc2C)C(=O)NC)c(O)c1 ZINC000842721532 1030923958 /nfs/dbraw/zinc/92/39/58/1030923958.db2.gz HOGGPQXQZRFGSO-KRWDZBQOSA-N 1 0 374.456 2.933 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001203931673 1030990001 /nfs/dbraw/zinc/99/00/01/1030990001.db2.gz SQBBBPVAPXNGTI-ACRUOGEOSA-N 1 0 353.466 2.958 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)cc1 ZINC001203933164 1030992039 /nfs/dbraw/zinc/99/20/39/1030992039.db2.gz IHWSKEMUVQXKEK-UHFFFAOYSA-N 1 0 351.494 2.925 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cc1 ZINC001203933277 1030993952 /nfs/dbraw/zinc/99/39/52/1030993952.db2.gz KEOULFOYMHRGIZ-KNQAVFIVSA-N 1 0 367.493 2.813 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)cc1 ZINC001203938394 1030997029 /nfs/dbraw/zinc/99/70/29/1030997029.db2.gz CGNPBEDHLRZIMF-QHAWAJNXSA-N 1 0 373.541 2.848 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCOC)C3=O)C2)cc1 ZINC001203939316 1030998273 /nfs/dbraw/zinc/99/82/73/1030998273.db2.gz NWSXOKVEATXRMG-QFIPXVFZSA-N 1 0 373.541 2.994 20 10 FFCDRO CCOC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c3ccccc23)CCC1=O ZINC001204235109 1031180533 /nfs/dbraw/zinc/18/05/33/1031180533.db2.gz GDZGKGXZLJTKIN-GOSISDBHSA-N 1 0 354.450 2.860 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274084 1031201426 /nfs/dbraw/zinc/20/14/26/1031201426.db2.gz HXBFFZHIFHHWDB-NRFANRHFSA-N 1 0 367.449 2.508 20 10 FFCDRO CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278069 1031204382 /nfs/dbraw/zinc/20/43/82/1031204382.db2.gz RRFQMGMBXSMMFE-UHFFFAOYSA-N 1 0 352.438 2.790 20 10 FFCDRO CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(N3CCCC3)cc1)CCO2 ZINC001204323192 1031228584 /nfs/dbraw/zinc/22/85/84/1031228584.db2.gz PIPWKHKKXJOCKF-UHFFFAOYSA-N 1 0 357.498 2.500 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c1O ZINC001204339236 1031234757 /nfs/dbraw/zinc/23/47/57/1031234757.db2.gz BUQMUIKWIQTZPP-FZMZJTMJSA-N 1 0 355.276 2.689 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC001143110646 1031240167 /nfs/dbraw/zinc/24/01/67/1031240167.db2.gz MYOJORKCQVVLHU-SFHVURJKSA-N 1 0 360.498 2.903 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)cc(O)c1O ZINC001204346049 1031242425 /nfs/dbraw/zinc/24/24/25/1031242425.db2.gz KIMRJIIVUFYGFH-VQIMIIECSA-N 1 0 370.449 2.730 20 10 FFCDRO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(O)c1O ZINC001204352100 1031247666 /nfs/dbraw/zinc/24/76/66/1031247666.db2.gz YIAAUPXNUGERRJ-ZWKOTPCHSA-N 1 0 354.450 2.813 20 10 FFCDRO Cc1cc(C(=O)CN2CCC(C[NH3+])CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843345045 1031338064 /nfs/dbraw/zinc/33/80/64/1031338064.db2.gz NXPXFJBHXPIFLT-UHFFFAOYSA-N 1 0 369.465 2.676 20 10 FFCDRO CCOC(=O)c1ccsc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350139 1031340611 /nfs/dbraw/zinc/34/06/11/1031340611.db2.gz KAIYUBSORJSGBC-UHFFFAOYSA-N 1 0 373.478 2.775 20 10 FFCDRO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843350848 1031343574 /nfs/dbraw/zinc/34/35/74/1031343574.db2.gz WXCQDERZLKVJLM-CQSZACIVSA-N 1 0 369.465 2.901 20 10 FFCDRO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350476 1031344736 /nfs/dbraw/zinc/34/47/36/1031344736.db2.gz RVGOZOBGTAQDTN-CQSZACIVSA-N 1 0 367.449 2.696 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350475 1031344793 /nfs/dbraw/zinc/34/47/93/1031344793.db2.gz RVGOZOBGTAQDTN-AWEZNQCLSA-N 1 0 367.449 2.696 20 10 FFCDRO C[NH+](C)CCCOc1ccc(-c2ccn(Cc3ccccn3)c(=O)c2)cn1 ZINC001205249118 1031626778 /nfs/dbraw/zinc/62/67/78/1031626778.db2.gz SZAHLSDCTMXUBD-UHFFFAOYSA-N 1 0 364.449 2.684 20 10 FFCDRO [NH3+]C[C@@H]1CN(Cc2ccc(OCC(F)(F)F)cc2O)CCC1(F)F ZINC001205787013 1031993454 /nfs/dbraw/zinc/99/34/54/1031993454.db2.gz DMMGDJUQJOBURU-LLVKDONJSA-N 1 0 354.319 2.749 20 10 FFCDRO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(CO)cc1 ZINC000830544057 1033667044 /nfs/dbraw/zinc/66/70/44/1033667044.db2.gz KONDMQSUVCHLFY-SFHVURJKSA-N 1 0 374.868 2.932 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001276965765 1033855205 /nfs/dbraw/zinc/85/52/05/1033855205.db2.gz ARJIBBVSKWRLJR-CQSZACIVSA-N 1 0 367.287 2.811 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000830954001 1033878120 /nfs/dbraw/zinc/87/81/20/1033878120.db2.gz QHDIHTNOLFNPEK-NJYVYQBISA-N 1 0 373.541 2.727 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3c(C)n(C)c4ccccc34)CC[C@@H]21 ZINC001138253895 1034022065 /nfs/dbraw/zinc/02/20/65/1034022065.db2.gz KBYDDNBRHMRUIR-LEWJYISDSA-N 1 0 355.482 2.698 20 10 FFCDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000831352883 1034048365 /nfs/dbraw/zinc/04/83/65/1034048365.db2.gz FEHCPKDJQPLGRR-MOPGFXCFSA-N 1 0 361.530 2.893 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001277025637 1034169576 /nfs/dbraw/zinc/16/95/76/1034169576.db2.gz GALDONJIAITBJC-VLIAUNLRSA-N 1 0 362.445 2.774 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(NC(=O)N4CCCC4)CC3)ccc21 ZINC001138358974 1034194908 /nfs/dbraw/zinc/19/49/08/1034194908.db2.gz FTXCRMFBMXWFLY-UHFFFAOYSA-N 1 0 356.514 2.839 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c(OC)c1 ZINC001138392502 1034226733 /nfs/dbraw/zinc/22/67/33/1034226733.db2.gz YCSOIQCAWUAYMA-GOSISDBHSA-N 1 0 356.470 2.985 20 10 FFCDRO Cc1cnc2n1CCC21CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138498124 1034337431 /nfs/dbraw/zinc/33/74/31/1034337431.db2.gz SJHPFYUJMPQNDK-UHFFFAOYSA-N 1 0 366.509 2.966 20 10 FFCDRO Cc1cncnc1OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500289 1034342586 /nfs/dbraw/zinc/34/25/86/1034342586.db2.gz WCRASIJULCBTEF-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138501261 1034343681 /nfs/dbraw/zinc/34/36/81/1034343681.db2.gz NFHZXUIKMHZZNH-HKUYNNGSSA-N 1 0 360.498 2.934 20 10 FFCDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001138607326 1034461091 /nfs/dbraw/zinc/46/10/91/1034461091.db2.gz KQWLGAUATKQGKX-GOSISDBHSA-N 1 0 356.466 2.913 20 10 FFCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138679277 1034538608 /nfs/dbraw/zinc/53/86/08/1034538608.db2.gz WMDWOUDHKBJLNY-KRWDZBQOSA-N 1 0 369.303 2.633 20 10 FFCDRO C[NH+](C)CCOc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001138772170 1034639755 /nfs/dbraw/zinc/63/97/55/1034639755.db2.gz SLEQBJUIHSMTBQ-UHFFFAOYSA-N 1 0 356.466 2.987 20 10 FFCDRO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265926 1034686126 /nfs/dbraw/zinc/68/61/26/1034686126.db2.gz BXJFROQEZMWWIN-QZTJIDSGSA-N 1 0 359.445 2.865 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000832273566 1034694509 /nfs/dbraw/zinc/69/45/09/1034694509.db2.gz OTMPAECTTGMCST-RBUKOAKNSA-N 1 0 374.916 2.825 20 10 FFCDRO COc1ccccc1/C(C)=C\C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283719 1034700155 /nfs/dbraw/zinc/70/01/55/1034700155.db2.gz ANGJWLQNZKUJHN-RXHHAWBHSA-N 1 0 353.466 2.981 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000832284887 1034701990 /nfs/dbraw/zinc/70/19/90/1034701990.db2.gz NTDWYBPHJHTXIG-RTBURBONSA-N 1 0 351.450 2.629 20 10 FFCDRO CCN(CC(=O)OC(C)(C)C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257500 1035032359 /nfs/dbraw/zinc/03/23/59/1035032359.db2.gz CJKXGGPWARGYMU-UHFFFAOYSA-N 1 0 352.475 2.626 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C3(C)CC3)cc2F)CC1 ZINC001221805445 1035082508 /nfs/dbraw/zinc/08/25/08/1035082508.db2.gz WHHCLQBYAQPSQN-HNNXBMFYSA-N 1 0 362.493 2.955 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)ccc1N(C)C ZINC001139673429 1035194217 /nfs/dbraw/zinc/19/42/17/1035194217.db2.gz BYOIZNJVFBZBJJ-LJQANCHMSA-N 1 0 359.514 2.568 20 10 FFCDRO Oc1ccc(F)cc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001140054267 1035323365 /nfs/dbraw/zinc/32/33/65/1035323365.db2.gz OFTBLMWMYXDZDS-POZUXBRTSA-N 1 0 358.413 2.985 20 10 FFCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000834517969 1035403019 /nfs/dbraw/zinc/40/30/19/1035403019.db2.gz BAZYWFGLYFXBFP-HRCADAONSA-N 1 0 358.461 2.950 20 10 FFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCOCC1 ZINC000834531390 1035404491 /nfs/dbraw/zinc/40/44/91/1035404491.db2.gz YJZGCGBIAAHPFD-QGZVFWFLSA-N 1 0 362.514 2.569 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+][C@H]2CCc3cccc(O)c32)cc(OC)c1 ZINC000834611788 1035418167 /nfs/dbraw/zinc/41/81/67/1035418167.db2.gz OJZGOFIAENZNRM-BEFAXECRSA-N 1 0 357.450 2.838 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCn4c(nnc4C(C)C)C3)cc2)CC1 ZINC001140304493 1035426118 /nfs/dbraw/zinc/42/61/18/1035426118.db2.gz RGFPTSZLQRPGFK-UHFFFAOYSA-N 1 0 368.529 2.559 20 10 FFCDRO COCCN1CCOC[C@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1 ZINC001140338377 1035443675 /nfs/dbraw/zinc/44/36/75/1035443675.db2.gz HGOKBYCFCAKFKS-LJQANCHMSA-N 1 0 368.905 2.606 20 10 FFCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001140338547 1035443762 /nfs/dbraw/zinc/44/37/62/1035443762.db2.gz LHNPXRFIFVXYMI-KVSKMBFKSA-N 1 0 367.873 2.688 20 10 FFCDRO CCOC(=O)CC[NH+](CCC(=O)OCC)Cc1ccc(Cl)cc1O ZINC001140464198 1035484810 /nfs/dbraw/zinc/48/48/10/1035484810.db2.gz GHVGDFLPXNBKNF-UHFFFAOYSA-N 1 0 357.834 2.754 20 10 FFCDRO Cn1cc(N2CC[C@]3(CCC[N@H+](Cc4ccc(Cl)cc4O)C3)C2=O)cn1 ZINC001140464920 1035485462 /nfs/dbraw/zinc/48/54/62/1035485462.db2.gz FBJYDCHXMIRCRD-IBGZPJMESA-N 1 0 374.872 2.798 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000835038931 1035491595 /nfs/dbraw/zinc/49/15/95/1035491595.db2.gz DJVYGBVNBAFQGB-QWNKOJSDSA-N 1 0 364.493 2.733 20 10 FFCDRO CCOC1CC(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000835048329 1035492605 /nfs/dbraw/zinc/49/26/05/1035492605.db2.gz GVBCSUGAZPOQQT-AATRIKPKSA-N 1 0 373.541 2.625 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](Cc4ccns4)C3)C2=O)cc1 ZINC001277628570 1035496062 /nfs/dbraw/zinc/49/60/62/1035496062.db2.gz QOMUHRISKABJKA-FQEVSTJZSA-N 1 0 370.522 2.834 20 10 FFCDRO COCCCN1CCC2(CC[NH+](Cc3c(C)cc(C)cc3O)CC2)C1=O ZINC001277204551 1035528288 /nfs/dbraw/zinc/52/82/88/1035528288.db2.gz OECHTFIHFBEZRA-UHFFFAOYSA-N 1 0 360.498 2.860 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204740 1035529894 /nfs/dbraw/zinc/52/98/94/1035529894.db2.gz VTJNHUFXSNYELC-MDASCCDHSA-N 1 0 352.425 2.882 20 10 FFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405459 1035653966 /nfs/dbraw/zinc/65/39/66/1035653966.db2.gz LBPBEPBHBOEYSB-CQSZACIVSA-N 1 0 358.438 2.740 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC(n3ccnc3)CC2)c2ccccc2n1C ZINC001232406474 1035656407 /nfs/dbraw/zinc/65/64/07/1035656407.db2.gz WRWJNJAITHZLQY-UHFFFAOYSA-N 1 0 352.438 2.999 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)c1 ZINC001140620424 1035746201 /nfs/dbraw/zinc/74/62/01/1035746201.db2.gz NRERAZXBUDZNFC-HXUWFJFHSA-N 1 0 352.438 2.510 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)c1 ZINC001140621992 1035749500 /nfs/dbraw/zinc/74/95/00/1035749500.db2.gz UBNHUQYZPZXBHA-SFTDATJTSA-N 1 0 367.493 2.879 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001140663848 1035818269 /nfs/dbraw/zinc/81/82/69/1035818269.db2.gz PXTLOGRPWRSWTC-UHFFFAOYSA-N 1 0 356.445 2.832 20 10 FFCDRO Cc1nnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)o1 ZINC001140664943 1035820654 /nfs/dbraw/zinc/82/06/54/1035820654.db2.gz XEMUUSPLTGBBAS-UHFFFAOYSA-N 1 0 360.433 2.733 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001140744772 1036035683 /nfs/dbraw/zinc/03/56/83/1036035683.db2.gz LGBRRUGFGSQJQH-LAUBAEHRSA-N 1 0 352.434 2.512 20 10 FFCDRO Cc1c(O)ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)c1O ZINC001140748539 1036045992 /nfs/dbraw/zinc/04/59/92/1036045992.db2.gz MYJMLHNCNIFENO-HKUYNNGSSA-N 1 0 354.450 2.744 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1O ZINC001140749830 1036053067 /nfs/dbraw/zinc/05/30/67/1036053067.db2.gz NXKWSTMWTLZFLG-UHFFFAOYSA-N 1 0 358.413 2.940 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c(O)c1 ZINC001232836233 1036091048 /nfs/dbraw/zinc/09/10/48/1036091048.db2.gz MAPKAQRLJAMISP-UHFFFAOYSA-N 1 0 351.450 2.944 20 10 FFCDRO COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841757 1036096925 /nfs/dbraw/zinc/09/69/25/1036096925.db2.gz RCKWSXZKHPOVMX-KRWDZBQOSA-N 1 0 357.454 2.905 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(O)c1 ZINC001232841932 1036098918 /nfs/dbraw/zinc/09/89/18/1036098918.db2.gz UTJAFMINEWMUNM-SFHVURJKSA-N 1 0 351.450 2.689 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccc(I)cc2O)C[C@@]1(C)O ZINC001232975644 1036207557 /nfs/dbraw/zinc/20/75/57/1036207557.db2.gz JEIJWDZWLWISKP-QMTHXVAHSA-N 1 0 361.223 2.590 20 10 FFCDRO CC1C[NH+](Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2O)C1 ZINC001232981049 1036213635 /nfs/dbraw/zinc/21/36/35/1036213635.db2.gz WMVVIHQNSXOGSK-UHFFFAOYSA-N 1 0 361.486 2.901 20 10 FFCDRO Oc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cc(O)c1O ZINC001233013405 1036250640 /nfs/dbraw/zinc/25/06/40/1036250640.db2.gz WNXXGLCINCYOBW-QRWLVFNGSA-N 1 0 356.422 2.880 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c(O)c1 ZINC001140852899 1036286551 /nfs/dbraw/zinc/28/65/51/1036286551.db2.gz DDNDHJLSUCVFPD-OAQYLSRUSA-N 1 0 367.497 2.883 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2Cc3nccn3C[C@@H](COC)C2)c(O)c1 ZINC001140853023 1036287079 /nfs/dbraw/zinc/28/70/79/1036287079.db2.gz JHJYVMYYIMUPIU-INIZCTEOSA-N 1 0 358.486 2.713 20 10 FFCDRO COc1cc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1Br ZINC001233139619 1036389593 /nfs/dbraw/zinc/38/95/93/1036389593.db2.gz MMPXZKMSPWLAEL-ZDUSSCGKSA-N 1 0 355.276 2.833 20 10 FFCDRO COC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCCCC1 ZINC001536532618 1069999355 /nfs/dbraw/zinc/99/93/55/1069999355.db2.gz STIUETIXHPJOLZ-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO CCOC(=O)c1c(C[N@H+](CC)CCN2CCOCC2)c2ccccc2n1C ZINC001233272925 1036479297 /nfs/dbraw/zinc/47/92/97/1036479297.db2.gz HHHOBORJFHUDEW-UHFFFAOYSA-N 1 0 373.497 2.509 20 10 FFCDRO Cc1ccc(C[N@H+]2CCc3nc(C(=O)N4CCCC4)sc3CC2)c(O)c1 ZINC001140952470 1036556601 /nfs/dbraw/zinc/55/66/01/1036556601.db2.gz SXDSBMAUGQUCLF-UHFFFAOYSA-N 1 0 371.506 2.994 20 10 FFCDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482890 1036651043 /nfs/dbraw/zinc/65/10/43/1036651043.db2.gz GEOQVOYPSIIEDK-OLZOCXBDSA-N 1 0 366.458 2.929 20 10 FFCDRO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483040 1036651931 /nfs/dbraw/zinc/65/19/31/1036651931.db2.gz LYKWFNLEEASWED-QWHCGFSZSA-N 1 0 366.458 2.929 20 10 FFCDRO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(O)c(O)cc4O)C3)CC2=O)c1 ZINC001233484460 1036653256 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ZINC001234991429 1037284710 /nfs/dbraw/zinc/28/47/10/1037284710.db2.gz MQVSYEAJTFEVSQ-YJBOKZPZSA-N 1 0 367.367 2.919 20 10 FFCDRO CCOC(=O)c1c(CN2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001234998792 1037288297 /nfs/dbraw/zinc/28/82/97/1037288297.db2.gz JVSPEMOAELUEQE-OAQYLSRUSA-N 1 0 355.482 2.931 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1cc(C)n(-c2ccccc2)c1C ZINC001235325124 1037478080 /nfs/dbraw/zinc/47/80/80/1037478080.db2.gz VXXLAVKFWWWCAG-DZFGPLHGSA-N 1 0 367.493 2.820 20 10 FFCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccccc2)cc1O ZINC001231469560 1037613981 /nfs/dbraw/zinc/61/39/81/1037613981.db2.gz HLOWYUZYDUJAOD-UHFFFAOYSA-N 1 0 369.509 2.650 20 10 FFCDRO COc1ccc(Br)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC001231553012 1037674288 /nfs/dbraw/zinc/67/42/88/1037674288.db2.gz OVJXDRDWORRUPY-GFCCVEGCSA-N 1 0 355.276 2.833 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)ccc3ccccc32)[C@@H](CO)C1 ZINC001231586618 1037705270 /nfs/dbraw/zinc/70/52/70/1037705270.db2.gz JVBNCCQDJLYVJB-MRXNPFEDSA-N 1 0 372.465 2.959 20 10 FFCDRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1O ZINC001231591530 1037707462 /nfs/dbraw/zinc/70/74/62/1037707462.db2.gz GEJCRKSZBJWPBQ-JOCHJYFZSA-N 1 0 365.477 2.624 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)c1O ZINC001231592398 1037710281 /nfs/dbraw/zinc/71/02/81/1037710281.db2.gz HIBLJGDTSWTDIQ-NRFANRHFSA-N 1 0 368.481 2.610 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001231593500 1037713325 /nfs/dbraw/zinc/71/33/25/1037713325.db2.gz QUAIJAOSPKXLCI-NQIIRXRSSA-N 1 0 351.450 2.624 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636821 1037757232 /nfs/dbraw/zinc/75/72/32/1037757232.db2.gz AHHHLTRJTRWRTQ-TZMCWYRMSA-N 1 0 366.458 2.842 20 10 FFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3O)C2)n1 ZINC001231640876 1037766871 /nfs/dbraw/zinc/76/68/71/1037766871.db2.gz VLZHSMIYSJGUMO-AWEZNQCLSA-N 1 0 360.410 2.553 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(CC)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236009806 1037887787 /nfs/dbraw/zinc/88/77/87/1037887787.db2.gz WKBSENPLDMKLLF-QGZVFWFLSA-N 1 0 364.486 2.688 20 10 FFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)n1 ZINC001231857586 1037953712 /nfs/dbraw/zinc/95/37/12/1037953712.db2.gz KXRNHVCRPRNZKA-KRWDZBQOSA-N 1 0 357.454 2.818 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc3ccccc3c2O)CC1)N1CCOCC1 ZINC001231883288 1037976404 /nfs/dbraw/zinc/97/64/04/1037976404.db2.gz NSMWKUZNYNLKJP-UHFFFAOYSA-N 1 0 369.465 2.552 20 10 FFCDRO O=S1(=O)CCCCN1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC001231883579 1037979074 /nfs/dbraw/zinc/97/90/74/1037979074.db2.gz QJQJASQNYWRWGQ-UHFFFAOYSA-N 1 0 374.506 2.935 20 10 FFCDRO COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236217997 1037992042 /nfs/dbraw/zinc/99/20/42/1037992042.db2.gz RBFPZMMYOWJOMD-KGLIPLIRSA-N 1 0 371.275 2.643 20 10 FFCDRO CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001276552929 1038006989 /nfs/dbraw/zinc/00/69/89/1038006989.db2.gz HHALFOSCKISDKX-UHFFFAOYSA-N 1 0 362.470 2.664 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@](F)(CO)CC2)c(O)cc1Br ZINC001236748632 1038232547 /nfs/dbraw/zinc/23/25/47/1038232547.db2.gz TUXMHAROMJFJSR-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1OC ZINC001236749557 1038235358 /nfs/dbraw/zinc/23/53/58/1038235358.db2.gz KAUYJIBJTXNESG-CABCVRRESA-N 1 0 367.339 2.637 20 10 FFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236750040 1038235676 /nfs/dbraw/zinc/23/56/76/1038235676.db2.gz GUZGSLOIIPYTGM-JTQLQIEISA-N 1 0 358.232 2.548 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1c1ccccc1 ZINC001236753934 1038240596 /nfs/dbraw/zinc/24/05/96/1038240596.db2.gz QYRSIMSXPNXBOM-IRXDYDNUSA-N 1 0 371.433 2.798 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)cc1OC ZINC001236753733 1038241596 /nfs/dbraw/zinc/24/15/96/1038241596.db2.gz OWPWMFTUQLTYIX-UHFFFAOYSA-N 1 0 374.481 2.634 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001236763478 1038247625 /nfs/dbraw/zinc/24/76/25/1038247625.db2.gz AAYFJICRPLORMP-UHFFFAOYSA-N 1 0 358.232 2.635 20 10 FFCDRO Oc1cc(CN2CC[C@H](Oc3ccccn3)C2)c(O)cc1Br ZINC001236763162 1038249128 /nfs/dbraw/zinc/24/91/28/1038249128.db2.gz WLBBSZKOMFJGCH-LBPRGKRZSA-N 1 0 365.227 2.909 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c(O)c1 ZINC001236790781 1038272058 /nfs/dbraw/zinc/27/20/58/1038272058.db2.gz XWOAYQAEFSKVMC-WSTZPKSXSA-N 1 0 369.465 2.803 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Cl)c1 ZINC001236797525 1038276428 /nfs/dbraw/zinc/27/64/28/1038276428.db2.gz FVOQDVYPWKCUNK-QWHCGFSZSA-N 1 0 360.841 2.835 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c(O)c1 ZINC001236808797 1038283999 /nfs/dbraw/zinc/28/39/99/1038283999.db2.gz MTSMWORVIYTXEB-NRFANRHFSA-N 1 0 367.449 2.733 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236809458 1038284320 /nfs/dbraw/zinc/28/43/20/1038284320.db2.gz RYWNZWCEEIULCT-ROUUACIJSA-N 1 0 353.466 2.668 20 10 FFCDRO COc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c([O-])c1Cl ZINC001236810340 1038286420 /nfs/dbraw/zinc/28/64/20/1038286420.db2.gz UDKBECSDWROBTD-UHFFFAOYSA-N 1 0 367.921 2.514 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)c(O)c1 ZINC001236814010 1038288031 /nfs/dbraw/zinc/28/80/31/1038288031.db2.gz NXJVSJGBAPOQIU-UHFFFAOYSA-N 1 0 367.449 2.733 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(O)c1 ZINC001236817090 1038290376 /nfs/dbraw/zinc/29/03/76/1038290376.db2.gz BRMYHHSDAFCHHG-UHFFFAOYSA-N 1 0 370.449 2.852 20 10 FFCDRO O=C1OCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1Cl)CC2 ZINC001236932672 1038365193 /nfs/dbraw/zinc/36/51/93/1038365193.db2.gz YHGFEILFABELJR-UHFFFAOYSA-N 1 0 364.873 2.706 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4cc(O)ccc4C3)c(F)c2)CC1 ZINC001236936920 1038366943 /nfs/dbraw/zinc/36/69/43/1038366943.db2.gz URESYKHUQMDOIV-UHFFFAOYSA-N 1 0 355.457 2.841 20 10 FFCDRO FC(F)(F)[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236982984 1038397672 /nfs/dbraw/zinc/39/76/72/1038397672.db2.gz UIQGOIMEZZAIII-OAHLLOKOSA-N 1 0 363.811 2.513 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001237040148 1038417066 /nfs/dbraw/zinc/41/70/66/1038417066.db2.gz FFVBJOAOSQSOIK-NRFANRHFSA-N 1 0 352.434 2.911 20 10 FFCDRO CC(C)c1ccc(CN2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)c(O)c1 ZINC001237049156 1038423166 /nfs/dbraw/zinc/42/31/66/1038423166.db2.gz SRTFDRCYRBUSNZ-UHFFFAOYSA-N 1 0 370.497 2.540 20 10 FFCDRO CC(=O)NCc1ncn2c1C[N@H+](Cc1ccc(C(C)C)cc1O)CCC2 ZINC001237053144 1038425173 /nfs/dbraw/zinc/42/51/73/1038425173.db2.gz HFLVBWNROKWHMA-UHFFFAOYSA-N 1 0 356.470 2.754 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)c(O)c1 ZINC001237052933 1038425423 /nfs/dbraw/zinc/42/54/23/1038425423.db2.gz FKWVCTBELZHLOX-IBGZPJMESA-N 1 0 372.509 2.977 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CCC1(F)F ZINC001237054258 1038425723 /nfs/dbraw/zinc/42/57/23/1038425723.db2.gz XXZGFSVLQJRNLI-NSHDSACASA-N 1 0 355.303 2.783 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237065431 1038431425 /nfs/dbraw/zinc/43/14/25/1038431425.db2.gz OUAIXQWPTCKHMW-UHFFFAOYSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)c(Br)c1 ZINC001237065392 1038431437 /nfs/dbraw/zinc/43/14/37/1038431437.db2.gz OBBQKAWVPYKIDC-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(Br)c1 ZINC001237069737 1038433289 /nfs/dbraw/zinc/43/32/89/1038433289.db2.gz HWZKAXFCBYYNMJ-GFCCVEGCSA-N 1 0 355.276 2.832 20 10 FFCDRO O=C(NC1CC1)[C@H]1C[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3Cl)C[C@H]2C1 ZINC001237123962 1038451168 /nfs/dbraw/zinc/45/11/68/1038451168.db2.gz IFVZKIXKBCMTNE-CNDDSTCGSA-N 1 0 352.837 2.921 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c1 ZINC001278615394 1038818095 /nfs/dbraw/zinc/81/80/95/1038818095.db2.gz QUDDNYBYTXDLLU-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO COCC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCC1 ZINC001251501623 1039160145 /nfs/dbraw/zinc/16/01/45/1039160145.db2.gz WEIOUCJITZIQAB-GOSISDBHSA-N 1 0 362.518 2.614 20 10 FFCDRO CCOC(=O)CCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001258130481 1039206077 /nfs/dbraw/zinc/20/60/77/1039206077.db2.gz IRUIUKFLJWAHKM-MRXNPFEDSA-N 1 0 364.486 2.948 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246534812 1039384941 /nfs/dbraw/zinc/38/49/41/1039384941.db2.gz YZWNOSJILKHPDQ-QOKNQOGYSA-N 1 0 360.498 2.906 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc3ccccc32)N1C1COC1 ZINC001276682814 1039501869 /nfs/dbraw/zinc/50/18/69/1039501869.db2.gz BSLFHSMFVBNRQS-RTBURBONSA-N 1 0 352.434 2.510 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C)c1O)C2 ZINC001276682915 1039505444 /nfs/dbraw/zinc/50/54/44/1039505444.db2.gz DVFTVGMVCIWMKQ-NRFANRHFSA-N 1 0 358.482 2.718 20 10 FFCDRO OCCc1ccc(OC[C@H](O)C[NH2+]Cc2cc3ccccc3cc2O)cc1 ZINC001253163603 1040013907 /nfs/dbraw/zinc/01/39/07/1040013907.db2.gz COVZYZSCHYVVCA-HXUWFJFHSA-N 1 0 367.445 2.610 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4CN(Cc5ccc[nH]5)C[C@H]43)ccc21 ZINC001278745475 1040429015 /nfs/dbraw/zinc/42/90/15/1040429015.db2.gz FZJHVOCAGSGHFY-FXAWDEMLSA-N 1 0 352.482 2.550 20 10 FFCDRO CC(C)(C)c1cc(O)c(C[NH+]2CCC3(CC2)CNC(=O)CO3)cc1Cl ZINC001248885496 1040494016 /nfs/dbraw/zinc/49/40/16/1040494016.db2.gz ZAWZGMBCXFLERH-UHFFFAOYSA-N 1 0 366.889 2.824 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+](CCOC(C)C)CCOC(C)C)c(O)c1 ZINC001249201151 1040624189 /nfs/dbraw/zinc/62/41/89/1040624189.db2.gz HPBYFWRIKLWUNA-UHFFFAOYSA-N 1 0 367.486 2.760 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)c1 ZINC001249201214 1040625654 /nfs/dbraw/zinc/62/56/54/1040625654.db2.gz KONSSFSWGFMCBZ-LJQANCHMSA-N 1 0 355.434 2.899 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C)ccn3)C2)c(O)c1 ZINC001249216969 1040630987 /nfs/dbraw/zinc/63/09/87/1040630987.db2.gz ISRRODLTLRZCPI-GOSISDBHSA-N 1 0 370.449 2.855 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3ncccc3C)CC2)c(O)c1 ZINC001249217874 1040633438 /nfs/dbraw/zinc/63/34/38/1040633438.db2.gz UCQHNBRZYLSDQQ-UHFFFAOYSA-N 1 0 370.449 2.855 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)CC2)ncn1 ZINC001249259457 1040656763 /nfs/dbraw/zinc/65/67/63/1040656763.db2.gz ZXSILEYNSSJTJM-UHFFFAOYSA-N 1 0 366.465 2.997 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001249735416 1040969972 /nfs/dbraw/zinc/96/99/72/1040969972.db2.gz NDSUZSOYYPVXRP-HUUCEWRRSA-N 1 0 351.443 2.724 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cc2F)CC1 ZINC001261245686 1041097208 /nfs/dbraw/zinc/09/72/08/1041097208.db2.gz LOPDRJLSQTWBBC-NRFANRHFSA-N 1 0 373.516 2.969 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)NC(C)C)C3)CC2)c(O)c1 ZINC001278565888 1041191801 /nfs/dbraw/zinc/19/18/01/1041191801.db2.gz VJPXZLIRISJQOA-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCCC3(CN(C(=O)NC(C)C)C3)C2)c1O ZINC001278576150 1041237967 /nfs/dbraw/zinc/23/79/67/1041237967.db2.gz IJMVUFVAKCJZLW-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N)cc1 ZINC001262603380 1041748262 /nfs/dbraw/zinc/74/82/62/1041748262.db2.gz GRJAJGLRCTXADK-HXUWFJFHSA-N 1 0 367.497 2.860 20 10 FFCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(N)cc1 ZINC001262603379 1041748310 /nfs/dbraw/zinc/74/83/10/1041748310.db2.gz GRJAJGLRCTXADK-FQEVSTJZSA-N 1 0 367.497 2.860 20 10 FFCDRO CCCn1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC001262644823 1041772865 /nfs/dbraw/zinc/77/28/65/1041772865.db2.gz ILUWMOREXPVYOJ-IBGZPJMESA-N 1 0 357.502 2.700 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001263160703 1042140953 /nfs/dbraw/zinc/14/09/53/1042140953.db2.gz KWKVSXZKFVTHIG-YYWHXJBOSA-N 1 0 371.525 2.575 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCc3c[nH]cn3)C2)cc1C ZINC001263903067 1042521831 /nfs/dbraw/zinc/52/18/31/1042521831.db2.gz HDCWKJFPGRLPOI-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3nccc3C)C2)cc1C ZINC001264479719 1042689820 /nfs/dbraw/zinc/68/98/20/1042689820.db2.gz BZRHKPQYYTYRFQ-RBUKOAKNSA-N 1 0 370.497 2.583 20 10 FFCDRO O=C(Cc1ccsc1)N1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC001279192283 1042940002 /nfs/dbraw/zinc/94/00/02/1042940002.db2.gz IBDVXLCDRNGINZ-UHFFFAOYSA-N 1 0 360.454 2.870 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CN(Cc4cccc(=O)[nH]4)C3)CC2)c1O ZINC001279290111 1042985346 /nfs/dbraw/zinc/98/53/46/1042985346.db2.gz FSOWKJLPHZBAOE-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1O ZINC001279312305 1042995267 /nfs/dbraw/zinc/99/52/67/1042995267.db2.gz HWIUVNUUGGCMHP-ZBFHGGJFSA-N 1 0 374.403 2.634 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001279431842 1043106288 /nfs/dbraw/zinc/10/62/88/1043106288.db2.gz BYUNSWSASNITQG-MSOLQXFVSA-N 1 0 354.498 2.932 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)c(O)c1 ZINC001279433515 1043108338 /nfs/dbraw/zinc/10/83/38/1043108338.db2.gz YIEYVMLZLDXOFY-UHFFFAOYSA-N 1 0 371.403 2.789 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)[C@@H]2C1 ZINC001279438009 1043111962 /nfs/dbraw/zinc/11/19/62/1043111962.db2.gz UUGAZLPHXLGAIT-FXAWDEMLSA-N 1 0 356.466 2.672 20 10 FFCDRO COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)c3[O-])C[C@H]2CC1 ZINC001279441915 1043117500 /nfs/dbraw/zinc/11/75/00/1043117500.db2.gz JOLWDTBQXIHZKU-IYBDPMFKSA-N 1 0 368.905 2.810 20 10 FFCDRO Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001279491098 1043177761 /nfs/dbraw/zinc/17/77/61/1043177761.db2.gz VELFHCMHKCMYHZ-TXEJJXNPSA-N 1 0 351.422 2.894 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001237486324 1043198303 /nfs/dbraw/zinc/19/83/03/1043198303.db2.gz QJICRHUIXPBNMF-IIBYNOLFSA-N 1 0 351.450 2.971 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3c(C)n(C)c4ccccc43)C2)C1 ZINC001279540996 1043237329 /nfs/dbraw/zinc/23/73/29/1043237329.db2.gz MSTACQGIBZEDHU-UHFFFAOYSA-N 1 0 357.498 2.615 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCn4c(C)cnc43)CC2)c(O)c(OC)c1 ZINC001237671768 1043301420 /nfs/dbraw/zinc/30/14/20/1043301420.db2.gz AXCHLLHTBXIWQA-UHFFFAOYSA-N 1 0 357.454 2.852 20 10 FFCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237675225 1043302737 /nfs/dbraw/zinc/30/27/37/1043302737.db2.gz CCTSWEHBWOTBKO-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@H]1C ZINC001237683938 1043310181 /nfs/dbraw/zinc/31/01/81/1043310181.db2.gz LPDCMFFRBLPJDU-KGLIPLIRSA-N 1 0 351.443 2.821 20 10 FFCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(Br)c(C)cc3O)CC[N@@H+]2C1 ZINC001237685386 1043311160 /nfs/dbraw/zinc/31/11/60/1043311160.db2.gz YPOGAQJIKBRKFV-LSDHHAIUSA-N 1 0 369.303 2.758 20 10 FFCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(I)c1O ZINC001237774945 1043351661 /nfs/dbraw/zinc/35/16/61/1043351661.db2.gz ASYHIRXEQMQWAC-WDEREUQCSA-N 1 0 360.239 2.521 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CCN(COCCOC)C3)CC2)c(O)c1 ZINC001279663758 1043425363 /nfs/dbraw/zinc/42/53/63/1043425363.db2.gz DMPWRFBETFLYFZ-UHFFFAOYSA-N 1 0 362.514 2.863 20 10 FFCDRO Oc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(F)(F)F)cc(O)c1O ZINC001279682604 1043460490 /nfs/dbraw/zinc/46/04/90/1043460490.db2.gz UFDHEAPWLXIRRZ-BETUJISGSA-N 1 0 360.376 2.795 20 10 FFCDRO Oc1ccc(F)c(Cl)c1CN1CC2(C1)CC[N@H+](CCn1ccnc1)C2 ZINC001279684729 1043465959 /nfs/dbraw/zinc/46/59/59/1043465959.db2.gz RMFGENHEKHYWMP-UHFFFAOYSA-N 1 0 364.852 2.589 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1O ZINC001279698970 1043491766 /nfs/dbraw/zinc/49/17/66/1043491766.db2.gz FNGQYWSBGDZJNW-QGZVFWFLSA-N 1 0 369.303 2.760 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001238061357 1043507520 /nfs/dbraw/zinc/50/75/20/1043507520.db2.gz LXHDXKCSBIBJOU-GHTZIAJQSA-N 1 0 354.425 2.945 20 10 FFCDRO COc1ccc(N2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c(OC)c1 ZINC001279758485 1043595918 /nfs/dbraw/zinc/59/59/18/1043595918.db2.gz GMNMFZMIRAWBFT-HXUWFJFHSA-N 1 0 356.470 2.919 20 10 FFCDRO O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2)N1CCCC12CC2 ZINC001279845415 1043764276 /nfs/dbraw/zinc/76/42/76/1043764276.db2.gz KGPWQTQFWHXJPP-HGKCTWBKSA-N 1 0 356.466 2.711 20 10 FFCDRO Cn1ccnc1NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001279968472 1044000821 /nfs/dbraw/zinc/00/08/21/1044000821.db2.gz KTMMOJFWEHAVAA-JXFKEZNVSA-N 1 0 354.454 2.757 20 10 FFCDRO O=C([C@@H]1CCSC12C[NH+](Cc1ccccc1O)C2)N1CCCC12CC2 ZINC001279971117 1044008015 /nfs/dbraw/zinc/00/80/15/1044008015.db2.gz PYGJXGWBPGHTND-INIZCTEOSA-N 1 0 358.507 2.855 20 10 FFCDRO C[C@@H]1CN(C(=O)C23CC([NH2+]Cc4cc(Cl)ccc4O)(C2)C3)C[C@H](C)O1 ZINC001279983385 1044033158 /nfs/dbraw/zinc/03/31/58/1044033158.db2.gz JBSAQHYXYOXOOM-NFAYLAGKSA-N 1 0 364.873 2.694 20 10 FFCDRO CCN(C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2O1)C(C)C ZINC001280047016 1044134328 /nfs/dbraw/zinc/13/43/28/1044134328.db2.gz VGFDQLOVWCESQX-GGPKGHCWSA-N 1 0 360.498 2.937 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N[C@H](C)c2ncc[nH]2)c1O ZINC001280347030 1044635808 /nfs/dbraw/zinc/63/58/08/1044635808.db2.gz ZXDLBAKPZKAVOT-SXGZJXTBSA-N 1 0 354.454 2.574 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001280349800 1044639929 /nfs/dbraw/zinc/63/99/29/1044639929.db2.gz SVPIDPSSMJMXAZ-SFHVURJKSA-N 1 0 360.498 2.716 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)COC4)cc2F)CC1 ZINC001319278442 1045095360 /nfs/dbraw/zinc/09/53/60/1045095360.db2.gz GFCZXRINKYQNCW-UHFFFAOYSA-N 1 0 355.457 2.898 20 10 FFCDRO C[NH+]1CCN(c2ccc(C3=CCN(C(=O)C(F)(F)F)CC3)cc2)CC1 ZINC001244224909 1045114063 /nfs/dbraw/zinc/11/40/63/1045114063.db2.gz VLZTYNWFVMYKIE-UHFFFAOYSA-N 1 0 353.388 2.616 20 10 FFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C2CC2)C1=O ZINC001319381584 1045132170 /nfs/dbraw/zinc/13/21/70/1045132170.db2.gz XPEKMCBWPVFNGA-AWEZNQCLSA-N 1 0 353.260 2.740 20 10 FFCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318340400 1045274899 /nfs/dbraw/zinc/27/48/99/1045274899.db2.gz NLNXMJZSJQAXSU-OAHLLOKOSA-N 1 0 365.493 2.787 20 10 FFCDRO C[N@H+](CCNS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001318456877 1045305353 /nfs/dbraw/zinc/30/53/53/1045305353.db2.gz NTRQVLFJZYNZFZ-UHFFFAOYSA-N 1 0 370.559 2.968 20 10 FFCDRO COc1cccc(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c1O ZINC001320639944 1045441421 /nfs/dbraw/zinc/44/14/21/1045441421.db2.gz IIORJKPPSOGJIV-UHFFFAOYSA-N 1 0 368.355 2.939 20 10 FFCDRO COc1nc(Cl)c(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)n1C ZINC001326048249 1046743187 /nfs/dbraw/zinc/74/31/87/1046743187.db2.gz XMUDLRQIGFOOCS-CYBMUJFWSA-N 1 0 364.877 2.707 20 10 FFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001326688341 1047036948 /nfs/dbraw/zinc/03/69/48/1047036948.db2.gz QDBOQDBDDZRVAR-WBVHZDCISA-N 1 0 358.511 2.919 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CN2CCc3ccccc32)[NH+](C)C)cc1 ZINC001289601062 1047708236 /nfs/dbraw/zinc/70/82/36/1047708236.db2.gz YWJYXJSXFMIIJG-OAQYLSRUSA-N 1 0 366.509 2.534 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1F ZINC001331517741 1047982049 /nfs/dbraw/zinc/98/20/49/1047982049.db2.gz FKXICYLVXBCFQV-SCLBCKFNSA-N 1 0 354.441 2.688 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1F ZINC001331517748 1047982072 /nfs/dbraw/zinc/98/20/72/1047982072.db2.gz FKXICYLVXBCFQV-UGSOOPFHSA-N 1 0 354.441 2.688 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](C)C[C@H]3n3cncn3)C2)cc1 ZINC001328097559 1048176108 /nfs/dbraw/zinc/17/61/08/1048176108.db2.gz LYDSGWNUTICYCS-WOUAJJJCSA-N 1 0 355.486 2.885 20 10 FFCDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000738441018 1048683942 /nfs/dbraw/zinc/68/39/42/1048683942.db2.gz YLVMDAAZXXFNLG-HOTGVXAUSA-N 1 0 360.458 2.719 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC2CC3(CC([NH3+])C3)C2)CCCC1 ZINC001342663363 1051272880 /nfs/dbraw/zinc/27/28/80/1051272880.db2.gz XBRWWKKCDNSADK-UHFFFAOYSA-N 1 0 367.493 2.915 20 10 FFCDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC001342865015 1051473607 /nfs/dbraw/zinc/47/36/07/1051473607.db2.gz WODDRXJQHKIGIK-HOTGVXAUSA-N 1 0 350.459 2.631 20 10 FFCDRO CCOC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC001308580286 1052473152 /nfs/dbraw/zinc/47/31/52/1052473152.db2.gz PMOINHDBNXIYBK-UHFFFAOYSA-N 1 0 357.454 2.912 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308807490 1052501922 /nfs/dbraw/zinc/50/19/22/1052501922.db2.gz UVXMBYHKKYHUQU-CQSZACIVSA-N 1 0 356.850 2.771 20 10 FFCDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c(O)c1 ZINC001308869054 1052510143 /nfs/dbraw/zinc/51/01/43/1052510143.db2.gz HJHKDXYOTIBHDZ-MRXNPFEDSA-N 1 0 362.470 2.959 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]c1C ZINC001308972492 1052528840 /nfs/dbraw/zinc/52/88/40/1052528840.db2.gz PSBUFEYIHJWUCU-HXUWFJFHSA-N 1 0 372.513 2.958 20 10 FFCDRO CN(C)c1ccc([C@H](CNCc2n[nH]cc2Br)[NH+](C)C)cc1 ZINC001308972847 1052528853 /nfs/dbraw/zinc/52/88/53/1052528853.db2.gz UCLGDNPMIMJOGU-INIZCTEOSA-N 1 0 366.307 2.631 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001345858484 1052645314 /nfs/dbraw/zinc/64/53/14/1052645314.db2.gz VWPMQZRJTAEEQU-HLIPFELVSA-N 1 0 371.525 2.901 20 10 FFCDRO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(N)cc2)CC1 ZINC001334774238 1053068279 /nfs/dbraw/zinc/06/82/79/1053068279.db2.gz HDIXGBJNFCADHE-UHFFFAOYSA-N 1 0 353.466 2.601 20 10 FFCDRO CN(C)c1cc(F)c(CN[C@H]2CCCN(c3cccnc3)C2=O)cc1F ZINC001335154465 1053238079 /nfs/dbraw/zinc/23/80/79/1053238079.db2.gz BSOWAPYQWWBPNR-KRWDZBQOSA-N 1 0 360.408 2.711 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001346836394 1053360870 /nfs/dbraw/zinc/36/08/70/1053360870.db2.gz PRJILXDENAWYLC-NRFANRHFSA-N 1 0 373.541 2.632 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@@H+]4C3)C2)cc1 ZINC001347318378 1053835107 /nfs/dbraw/zinc/83/51/07/1053835107.db2.gz UTZPHFOLLGWBAX-MJQMVNBJSA-N 1 0 357.498 2.511 20 10 FFCDRO OCCCOCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001348075434 1054622707 /nfs/dbraw/zinc/62/27/07/1054622707.db2.gz QTORKHKAXHSSFS-UHFFFAOYSA-N 1 0 371.319 2.928 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001348555460 1054788673 /nfs/dbraw/zinc/78/86/73/1054788673.db2.gz OHHLHMWOHBIRKD-UHFFFAOYSA-N 1 0 354.498 2.738 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC(C)([NH+]4CCC4)CC3)cc2F)CC1 ZINC001350337925 1055732790 /nfs/dbraw/zinc/73/27/90/1055732790.db2.gz HVORUUDTJCJZCN-UHFFFAOYSA-N 1 0 360.521 2.638 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC001357488282 1055921294 /nfs/dbraw/zinc/92/12/94/1055921294.db2.gz XNRQDPSRPIBDCA-YZGWKJHDSA-N 1 0 359.514 2.648 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1ccccc1 ZINC001200365691 1056489528 /nfs/dbraw/zinc/48/95/28/1056489528.db2.gz NEBSCHZAOAEYFC-MRXNPFEDSA-N 1 0 370.472 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)C2)cc1 ZINC001520258597 1059540804 /nfs/dbraw/zinc/54/08/04/1059540804.db2.gz RUSJWEUZRFSWRQ-MLYOOKFZSA-N 1 0 371.525 2.758 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001355262962 1060052481 /nfs/dbraw/zinc/05/24/81/1060052481.db2.gz FKDDKVHHXMJTGW-CMKODMSKSA-N 1 0 358.530 2.933 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)ncc3C)cc2F)CC1 ZINC001521017445 1060311757 /nfs/dbraw/zinc/31/17/57/1060311757.db2.gz XVOBPNYMKKTEDK-UHFFFAOYSA-N 1 0 374.435 2.740 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458558837 1060624099 /nfs/dbraw/zinc/62/40/99/1060624099.db2.gz YDFHBOBIBLLOHI-LKUPDRCFSA-N 1 0 361.442 2.948 20 10 FFCDRO CCc1nn(C)c(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC001458681814 1060646571 /nfs/dbraw/zinc/64/65/71/1060646571.db2.gz MTNLWFOPOZGNOU-MRXNPFEDSA-N 1 0 360.462 2.672 20 10 FFCDRO COc1nc(Cl)c(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)n1C ZINC001461142276 1061223670 /nfs/dbraw/zinc/22/36/70/1061223670.db2.gz SVAVMKMRVRUCGP-UHFFFAOYSA-N 1 0 364.877 2.849 20 10 FFCDRO COc1cc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)ccc1O ZINC001461217014 1061253168 /nfs/dbraw/zinc/25/31/68/1061253168.db2.gz UEEXYKDZOMGEPD-UHFFFAOYSA-N 1 0 373.472 2.624 20 10 FFCDRO CC[N@@H+]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H]1C ZINC001476768231 1061475256 /nfs/dbraw/zinc/47/52/56/1061475256.db2.gz YTGDAQQALAQJHG-OAHLLOKOSA-N 1 0 364.453 2.954 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4c(s3)CCC4)cc2)CC1 ZINC001462469838 1061636148 /nfs/dbraw/zinc/63/61/48/1061636148.db2.gz VPMXXEQURFDGLD-UHFFFAOYSA-N 1 0 355.507 2.919 20 10 FFCDRO CCOC[C@H]1CCCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001479185329 1062276610 /nfs/dbraw/zinc/27/66/10/1062276610.db2.gz GUYXLDLILNDDQT-HXUWFJFHSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(C)co3)CC2)cc1 ZINC001524981916 1063081551 /nfs/dbraw/zinc/08/15/51/1063081551.db2.gz FNIDJGSWGWKPCQ-UHFFFAOYSA-N 1 0 357.454 2.539 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001465532423 1063125965 /nfs/dbraw/zinc/12/59/65/1063125965.db2.gz BYFSXVMPISDILI-HUUCEWRRSA-N 1 0 369.456 2.961 20 10 FFCDRO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC001466215944 1063366510 /nfs/dbraw/zinc/36/65/10/1063366510.db2.gz PNVZSHOSZBGERQ-GJZGRUSLSA-N 1 0 360.424 2.995 20 10 FFCDRO CCSc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC001533682731 1063372539 /nfs/dbraw/zinc/37/25/39/1063372539.db2.gz DEWYCRMNFWSVEN-UHFFFAOYSA-N 1 0 370.522 2.875 20 10 FFCDRO Cc1cc(F)c(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001533684644 1063373880 /nfs/dbraw/zinc/37/38/80/1063373880.db2.gz RIFXSYNEDTWNLH-UHFFFAOYSA-N 1 0 373.447 2.884 20 10 FFCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001497424087 1063703650 /nfs/dbraw/zinc/70/36/50/1063703650.db2.gz YNFQOTSTEMEFTJ-CTNGQTDRSA-N 1 0 360.498 2.901 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)cc2)CC1 ZINC001468679201 1064021962 /nfs/dbraw/zinc/02/19/62/1064021962.db2.gz MBXCIZJHVDKZAQ-QUCCMNQESA-N 1 0 356.514 2.768 20 10 FFCDRO COc1c[nH]nc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001469687321 1064192199 /nfs/dbraw/zinc/19/21/99/1064192199.db2.gz JJXZXQWXGYTOKP-UHFFFAOYSA-N 1 0 367.453 2.778 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]3C3CCCC3)cc2)CC1 ZINC001471191646 1064596601 /nfs/dbraw/zinc/59/66/01/1064596601.db2.gz QOZAAUSTGVGWBG-HXUWFJFHSA-N 1 0 356.514 2.913 20 10 FFCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471192443 1064596912 /nfs/dbraw/zinc/59/69/12/1064596912.db2.gz YYAJHCYGPWZXQT-BEKAIBRUSA-N 1 0 356.514 2.530 20 10 FFCDRO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC001471640395 1064742163 /nfs/dbraw/zinc/74/21/63/1064742163.db2.gz MSMOAMZXPWZTHQ-VQTJNVASSA-N 1 0 367.493 2.684 20 10 FFCDRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC001473329737 1065243561 /nfs/dbraw/zinc/24/35/61/1065243561.db2.gz OSVOXNWHGBPJLG-QEEYODRMSA-N 1 0 365.470 2.926 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCCC[C@@H]1C ZINC001473933214 1065421921 /nfs/dbraw/zinc/42/19/21/1065421921.db2.gz JEMYGAAUVUSLRX-ZWKOTPCHSA-N 1 0 362.537 2.930 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)CC2=O)cc1 ZINC001474204085 1065470990 /nfs/dbraw/zinc/47/09/90/1065470990.db2.gz WGEHWUVGENGWRU-HNNXBMFYSA-N 1 0 357.429 2.795 20 10 FFCDRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001474510625 1065539795 /nfs/dbraw/zinc/53/97/95/1065539795.db2.gz MRNNPSBTRZQIDZ-JKSUJKDBSA-N 1 0 368.861 2.915 20 10 FFCDRO CN(C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1)c1ccc(-c2nccs2)cc1 ZINC001578392821 1078468850 /nfs/dbraw/zinc/46/88/50/1078468850.db2.gz NNJOIRHEULVPMF-ZDUSSCGKSA-N 1 0 353.451 2.887 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC001578424755 1078473151 /nfs/dbraw/zinc/47/31/51/1078473151.db2.gz USMQAWSRZLLQLH-QGZVFWFLSA-N 1 0 350.422 2.837 20 10 FFCDRO Cc1cc(CCNC(=O)C[NH2+]C[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC001579592806 1078646811 /nfs/dbraw/zinc/64/68/11/1078646811.db2.gz MJSZMFZLOBPKDG-HXUWFJFHSA-N 1 0 355.482 2.521 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(N2CCC[C@@H]([NH3+])C2)nnc1C(C)(C)C ZINC001579618332 1078651028 /nfs/dbraw/zinc/65/10/28/1078651028.db2.gz KOHGHXLTSSFQPU-QGZVFWFLSA-N 1 0 370.545 2.926 20 10 FFCDRO [NH3+][C@@H]1CCN(c2nnc(C3CCC3)n2CCCSc2nccs2)C1 ZINC001580381242 1078794293 /nfs/dbraw/zinc/79/42/93/1078794293.db2.gz NPBLODCBCZFPIK-CYBMUJFWSA-N 1 0 364.544 2.722 20 10 FFCDRO Cc1cccc(C)c1NCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001558123538 1075946909 /nfs/dbraw/zinc/94/69/09/1075946909.db2.gz HWRIIRPCTQVKIA-UHFFFAOYSA-N 1 0 366.509 2.784 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC001560302523 1076261523 /nfs/dbraw/zinc/26/15/23/1076261523.db2.gz BQILTDQRVSGSSV-IBGZPJMESA-N 1 0 356.514 2.519 20 10 FFCDRO NC(=O)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC001560424437 1076272656 /nfs/dbraw/zinc/27/26/56/1076272656.db2.gz TZLMOHQVVPSILX-GOSISDBHSA-N 1 0 355.457 2.860 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1Cn1cccn1 ZINC001560485112 1076276077 /nfs/dbraw/zinc/27/60/77/1076276077.db2.gz JVARMMAOAMHAJP-LJQANCHMSA-N 1 0 364.449 2.646 20 10 FFCDRO CC(C)C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)N1CCOCC1 ZINC001560516284 1076276970 /nfs/dbraw/zinc/27/69/70/1076276970.db2.gz ZUSLSXDDUGBGCH-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO Cn1c2ccc(OS(=O)(=O)CCC[NH+](C)C)cc2c2c1CCCC2 ZINC001561685253 1076407399 /nfs/dbraw/zinc/40/73/99/1076407399.db2.gz HAGMYZRXJOQWLM-UHFFFAOYSA-N 1 0 350.484 2.717 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nccc3occc32)[NH+](C)C)cc1 ZINC001586061638 1079538052 /nfs/dbraw/zinc/53/80/52/1079538052.db2.gz SOEGGWRTHBQDON-QGZVFWFLSA-N 1 0 352.438 2.927 20 10 FFCDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001587051704 1079727403 /nfs/dbraw/zinc/72/74/03/1079727403.db2.gz PLCDFGSAZCXURC-UHFFFAOYSA-N 1 0 354.450 2.763 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC001587136854 1079743828 /nfs/dbraw/zinc/74/38/28/1079743828.db2.gz UKQFVTKQMRLCJS-UHFFFAOYSA-N 1 0 373.457 2.566 20 10 FFCDRO O=C(NC1CC[NH+](C2CC2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000045410429 506962945 /nfs/dbraw/zinc/96/29/45/506962945.db2.gz NSMPJLGWPFSOSZ-IBGZPJMESA-N 1 0 373.497 2.710 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000068536455 507261034 /nfs/dbraw/zinc/26/10/34/507261034.db2.gz JORQFJBHVRDFEE-UHFFFAOYSA-N 1 0 367.493 2.857 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1O ZINC000073724162 507949857 /nfs/dbraw/zinc/94/98/57/507949857.db2.gz FNJCUZMPLSNYAU-HNNXBMFYSA-N 1 0 369.465 2.647 20 10 FFCDRO Nc1nc(Cl)cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091676457 508000917 /nfs/dbraw/zinc/00/09/17/508000917.db2.gz VXPVRVBJBIOAPX-UHFFFAOYSA-N 1 0 372.904 2.856 20 10 FFCDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)CN1 ZINC000092104566 508044287 /nfs/dbraw/zinc/04/42/87/508044287.db2.gz OISSWTBCTBLCKM-RISCZKNCSA-N 1 0 353.260 2.645 20 10 FFCDRO CCCOc1ccc(C[NH+]2CCC(C(=O)NCCCOC)CC2)c(O)c1 ZINC000092362068 508065051 /nfs/dbraw/zinc/06/50/51/508065051.db2.gz XTQBFYBMQKFULI-UHFFFAOYSA-N 1 0 364.486 2.546 20 10 FFCDRO c1csc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000092482579 508074210 /nfs/dbraw/zinc/07/42/10/508074210.db2.gz HINVEBUKSKJBKE-UHFFFAOYSA-N 1 0 358.511 2.692 20 10 FFCDRO CN(C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)S(C)(=O)=O ZINC000092529655 508079236 /nfs/dbraw/zinc/07/92/36/508079236.db2.gz VVZOSFRXQHFFJE-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000092756304 508099739 /nfs/dbraw/zinc/09/97/39/508099739.db2.gz BBVGQBDIJOLKOX-CQSZACIVSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1ccc(CCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000112583737 508199372 /nfs/dbraw/zinc/19/93/72/508199372.db2.gz WTTCMAPRTDDVMM-OAHLLOKOSA-N 1 0 372.465 2.589 20 10 FFCDRO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000112583652 508199693 /nfs/dbraw/zinc/19/96/93/508199693.db2.gz RJFVKXLMOWFZGK-CQSZACIVSA-N 1 0 358.438 2.546 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)c(C)n1-c1ccccc1 ZINC000118722011 508666725 /nfs/dbraw/zinc/66/67/25/508666725.db2.gz PAKFYUWFMLCVRT-UHFFFAOYSA-N 1 0 355.482 2.671 20 10 FFCDRO Oc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000130999481 508875308 /nfs/dbraw/zinc/87/53/08/508875308.db2.gz DYRGZEOAUDRXAC-CYBMUJFWSA-N 1 0 352.228 2.684 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132977647 509099412 /nfs/dbraw/zinc/09/94/12/509099412.db2.gz WBFPRSAUMMJDKM-AWEZNQCLSA-N 1 0 367.465 2.838 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000182381382 509204938 /nfs/dbraw/zinc/20/49/38/509204938.db2.gz BOFWUBNMKQYSSN-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000179561368 509514146 /nfs/dbraw/zinc/51/41/46/509514146.db2.gz HTOYYXLZAYKWRA-UHFFFAOYSA-N 1 0 369.465 2.689 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)CC2 ZINC000186102999 509523488 /nfs/dbraw/zinc/52/34/88/509523488.db2.gz SXOUREHBSBWIKH-ZFWWWQNUSA-N 1 0 352.438 2.949 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(c3cccc(F)c3)CC1)cc2=O ZINC000179688873 509575563 /nfs/dbraw/zinc/57/55/63/509575563.db2.gz SDQWQJLWYJEOQJ-UHFFFAOYSA-N 1 0 370.384 2.530 20 10 FFCDRO COc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)cc1 ZINC000237325357 509623618 /nfs/dbraw/zinc/62/36/18/509623618.db2.gz TZINTHRDWSLWPP-FQEVSTJZSA-N 1 0 353.466 2.773 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183271420 509689910 /nfs/dbraw/zinc/68/99/10/509689910.db2.gz WJXKQNRKFJTYIB-UHFFFAOYSA-N 1 0 356.260 2.784 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268162698 509789233 /nfs/dbraw/zinc/78/92/33/509789233.db2.gz PAEHSYIHIBVLHX-ATZDWAIDSA-N 1 0 373.497 2.566 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000184702963 510473457 /nfs/dbraw/zinc/47/34/57/510473457.db2.gz BQZQMMCIZRUQNE-PXAZEXFGSA-N 1 0 365.861 2.733 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194756926 510513307 /nfs/dbraw/zinc/51/33/07/510513307.db2.gz NLYXEQWBHXFZON-PDFOZTTASA-N 1 0 352.434 2.749 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000185123224 510697632 /nfs/dbraw/zinc/69/76/32/510697632.db2.gz SREVSRSIZALARP-NEPJUHHUSA-N 1 0 352.431 2.851 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000182237852 510828211 /nfs/dbraw/zinc/82/82/11/510828211.db2.gz TVBANUCZXICTAS-FQEVSTJZSA-N 1 0 371.529 2.682 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000275401503 510898691 /nfs/dbraw/zinc/89/86/91/510898691.db2.gz ZWRMTCLUOQPMAO-YGRLFVJLSA-N 1 0 354.248 2.581 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000360348731 510900100 /nfs/dbraw/zinc/90/01/00/510900100.db2.gz XVIVLGODLTVHOO-UHFFFAOYSA-N 1 0 362.861 2.972 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000276973741 510951245 /nfs/dbraw/zinc/95/12/45/510951245.db2.gz CLNRNYMKLZJEDS-AWEZNQCLSA-N 1 0 354.516 2.944 20 10 FFCDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000277266145 510958188 /nfs/dbraw/zinc/95/81/88/510958188.db2.gz PJNQUHAQTITGCK-HNNXBMFYSA-N 1 0 363.477 2.619 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)ccc1OC ZINC000294205977 510989860 /nfs/dbraw/zinc/98/98/60/510989860.db2.gz YBQVZYOCUABSGY-HXUWFJFHSA-N 1 0 363.498 2.889 20 10 FFCDRO OC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000285645064 510993183 /nfs/dbraw/zinc/99/31/83/510993183.db2.gz LZIBZKOFTFPIRX-UHFFFAOYSA-N 1 0 358.404 2.935 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(=O)[nH]n1 ZINC000285935590 511016664 /nfs/dbraw/zinc/01/66/64/511016664.db2.gz FMCCPUKXXPFONF-CHWSQXEVSA-N 1 0 364.396 2.691 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000286159763 511020148 /nfs/dbraw/zinc/02/01/48/511020148.db2.gz PTZUGGBKXJBQSP-HNNXBMFYSA-N 1 0 367.449 2.705 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1OC ZINC000271089540 511079486 /nfs/dbraw/zinc/07/94/86/511079486.db2.gz KJWOLBKSQPBVJA-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000271101926 511082290 /nfs/dbraw/zinc/08/22/90/511082290.db2.gz PVSXMNXGIMQSOU-CYBMUJFWSA-N 1 0 366.458 2.756 20 10 FFCDRO CCS(=O)(=O)NC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000289398928 511099884 /nfs/dbraw/zinc/09/98/84/511099884.db2.gz GDGUPKCJXXGSDP-UHFFFAOYSA-N 1 0 374.506 2.963 20 10 FFCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289947031 511121371 /nfs/dbraw/zinc/12/13/71/511121371.db2.gz VTWOWTSGCUOROQ-LJQANCHMSA-N 1 0 361.530 2.991 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C)ccc3O)C2=O)c(OC)c1 ZINC000290206213 511130620 /nfs/dbraw/zinc/13/06/20/511130620.db2.gz VFXZGDYKWWYYKS-SFHVURJKSA-N 1 0 370.449 2.609 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000294723991 511156204 /nfs/dbraw/zinc/15/62/04/511156204.db2.gz IKCHXBGCQBMAOP-IBGZPJMESA-N 1 0 373.541 2.899 20 10 FFCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000291189775 511161726 /nfs/dbraw/zinc/16/17/26/511161726.db2.gz GLMSQDKEJVGDIU-UHFFFAOYSA-N 1 0 371.275 2.695 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)cc2)CC1 ZINC000294881125 511208385 /nfs/dbraw/zinc/20/83/85/511208385.db2.gz FFHAJUFZWRPRGJ-IBGZPJMESA-N 1 0 369.513 2.806 20 10 FFCDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOCC1 ZINC000279771227 511208702 /nfs/dbraw/zinc/20/87/02/511208702.db2.gz AIEHKATVKOXLFC-UHFFFAOYSA-N 1 0 374.403 2.973 20 10 FFCDRO O=C1COc2ccc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)cc2N1 ZINC000294914010 511220580 /nfs/dbraw/zinc/22/05/80/511220580.db2.gz NNLCAUMOMDYLIE-KRWDZBQOSA-N 1 0 368.433 2.904 20 10 FFCDRO CC[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000298645658 511359551 /nfs/dbraw/zinc/35/95/51/511359551.db2.gz IMEQERLBXHTNKL-GOSISDBHSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000272352182 511492349 /nfs/dbraw/zinc/49/23/49/511492349.db2.gz YIHPLLZDLSHTQK-QWHCGFSZSA-N 1 0 364.442 2.856 20 10 FFCDRO c1csc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000272781945 511507047 /nfs/dbraw/zinc/50/70/47/511507047.db2.gz ZKLICVPJGSEUFJ-UHFFFAOYSA-N 1 0 358.511 2.738 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc2ccccc2c1O ZINC000273592742 511545902 /nfs/dbraw/zinc/54/59/02/511545902.db2.gz POZCJQRUIVJHBQ-OAHLLOKOSA-N 1 0 355.482 2.749 20 10 FFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000296135479 511630259 /nfs/dbraw/zinc/63/02/59/511630259.db2.gz VYOIROYCOTYAIT-LJQANCHMSA-N 1 0 360.477 2.798 20 10 FFCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000365837555 511679428 /nfs/dbraw/zinc/67/94/28/511679428.db2.gz MAIQVGOGEOKFAX-JOCHJYFZSA-N 1 0 352.478 2.659 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(Cl)nc(N)n3)cc2F)CC1 ZINC000301185779 511689454 /nfs/dbraw/zinc/68/94/54/511689454.db2.gz JVANWBVCIQQTNR-UHFFFAOYSA-N 1 0 364.856 2.605 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(Br)ccc1O ZINC000284363233 511697552 /nfs/dbraw/zinc/69/75/52/511697552.db2.gz NDILICIDNLMAET-WBIUFABUSA-N 1 0 360.292 2.963 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296367678 511716026 /nfs/dbraw/zinc/71/60/26/511716026.db2.gz JTDMZZJPZNZSFR-SFHVURJKSA-N 1 0 359.514 2.509 20 10 FFCDRO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)ccc1O ZINC000274970402 512002334 /nfs/dbraw/zinc/00/23/34/512002334.db2.gz YCPJUSIVDCGTNH-LBPRGKRZSA-N 1 0 351.248 2.933 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OC ZINC000374183107 512697658 /nfs/dbraw/zinc/69/76/58/512697658.db2.gz LDJNEVWFPPGRBE-WMLDXEAASA-N 1 0 370.449 2.689 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1OC ZINC000378441254 512760676 /nfs/dbraw/zinc/76/06/76/512760676.db2.gz HVGFGEBMIWDGRM-ZDUSSCGKSA-N 1 0 358.442 2.785 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368212823 512848293 /nfs/dbraw/zinc/84/82/93/512848293.db2.gz QFCQDTAMRFHRII-AUUYWEPGSA-N 1 0 358.482 2.702 20 10 FFCDRO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)N1CCCC1 ZINC000372415207 512863468 /nfs/dbraw/zinc/86/34/68/512863468.db2.gz DNWRCHMPGPZLFX-FQEVSTJZSA-N 1 0 357.498 2.500 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1OC ZINC000368358156 512913342 /nfs/dbraw/zinc/91/33/42/512913342.db2.gz QYWJYRVOECPYPP-OAHLLOKOSA-N 1 0 362.426 2.805 20 10 FFCDRO COCCCn1nccc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000374932345 513079330 /nfs/dbraw/zinc/07/93/30/513079330.db2.gz TYMBVIAFSUGZEB-UHFFFAOYSA-N 1 0 358.486 2.641 20 10 FFCDRO [O-]c1c(Br)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249741 517656403 /nfs/dbraw/zinc/65/64/03/517656403.db2.gz YKJOCGVIDPINHQ-OAHLLOKOSA-N 1 0 369.303 2.745 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc21 ZINC000578877902 518417217 /nfs/dbraw/zinc/41/72/17/518417217.db2.gz KZZFPNRIQVEBML-KDOFPFPSSA-N 1 0 357.498 2.961 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2c[nH]cn2)C1 ZINC000616927629 520242991 /nfs/dbraw/zinc/24/29/91/520242991.db2.gz MPWVJKGLFRWENM-UHFFFAOYSA-N 1 0 365.481 2.790 20 10 FFCDRO COc1cccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1O ZINC000737132372 598275344 /nfs/dbraw/zinc/27/53/44/598275344.db2.gz KTAJBCUMPYXXOZ-UHFFFAOYSA-N 1 0 371.466 2.604 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826209133 608620757 /nfs/dbraw/zinc/62/07/57/608620757.db2.gz OGYGOZBNWPTTAZ-UHFFFAOYSA-N 1 0 370.482 2.649 20 10 FFCDRO COc1cccc(O)c1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826217482 608856762 /nfs/dbraw/zinc/85/67/62/608856762.db2.gz OJJUGZBURJLASD-UHFFFAOYSA-N 1 0 363.421 2.870 20 10 FFCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000154689963 728809929 /nfs/dbraw/zinc/80/99/29/728809929.db2.gz YCQOWDNPXSQDCK-CPJSRVTESA-N 1 0 358.507 2.733 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnn(CC(F)F)c2)N(C)C)cc1 ZINC000898451328 735362025 /nfs/dbraw/zinc/36/20/25/735362025.db2.gz XSVWLNZDKISONT-QGZVFWFLSA-N 1 0 351.445 2.607 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2ccns2)[NH+](C)C)cc1 ZINC000899097977 735447031 /nfs/dbraw/zinc/44/70/31/735447031.db2.gz JVFCDZHMZYNNKP-KRWDZBQOSA-N 1 0 361.515 2.653 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1O ZINC000020546826 727832519 /nfs/dbraw/zinc/83/25/19/727832519.db2.gz ZMJXJKXYDCQIAJ-HNNXBMFYSA-N 1 0 357.292 2.918 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092456451 728467647 /nfs/dbraw/zinc/46/76/47/728467647.db2.gz XNWVNKIDVGODIX-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177270764 729133077 /nfs/dbraw/zinc/13/30/77/729133077.db2.gz FTLSIESTBPTCGZ-ZDUSSCGKSA-N 1 0 352.862 2.986 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182317354 729274443 /nfs/dbraw/zinc/27/44/43/729274443.db2.gz OGPSXEAKCYIQRZ-IBGZPJMESA-N 1 0 365.543 2.579 20 10 FFCDRO CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)s1 ZINC000182441044 729278347 /nfs/dbraw/zinc/27/83/47/729278347.db2.gz IHXBNGJYFUUABA-LLVKDONJSA-N 1 0 364.471 2.884 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000185158312 729343068 /nfs/dbraw/zinc/34/30/68/729343068.db2.gz YNEZLGYJORLXCM-UHFFFAOYSA-N 1 0 363.458 2.768 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccccc1Br ZINC000237588993 729561872 /nfs/dbraw/zinc/56/18/72/729561872.db2.gz QOIMLVMPHZPIJH-UHFFFAOYSA-N 1 0 350.260 2.935 20 10 FFCDRO CCOc1cncc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000856717671 730349475 /nfs/dbraw/zinc/34/94/75/730349475.db2.gz HBFLCQLUXMRYOF-OQLLNIDSSA-N 1 0 363.508 2.776 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)[C@@H]2C1 ZINC000858165450 730418463 /nfs/dbraw/zinc/41/84/63/730418463.db2.gz UGLHYDHAJGYMLW-JCKWVBRZSA-N 1 0 351.441 2.767 20 10 FFCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)C(=O)N1CCCC1 ZINC000858292096 730421924 /nfs/dbraw/zinc/42/19/24/730421924.db2.gz AGFLHLYFGOBJPS-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H](C)C1(F)F ZINC000859411613 730453765 /nfs/dbraw/zinc/45/37/65/730453765.db2.gz LNEUCQSFJUFEMI-HUUCEWRRSA-N 1 0 353.457 2.934 20 10 FFCDRO CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000865462368 730958219 /nfs/dbraw/zinc/95/82/19/730958219.db2.gz MOJDXYCOJFMUGZ-MRXNPFEDSA-N 1 0 363.893 2.972 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000865695478 730987054 /nfs/dbraw/zinc/98/70/54/730987054.db2.gz ZRARJCCWTRPRJQ-WXQGENNASA-N 1 0 354.244 2.676 20 10 FFCDRO CN(C)c1ccc(C[N@H+](Cc2cccc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000876570355 732257952 /nfs/dbraw/zinc/25/79/52/732257952.db2.gz AVCZMGSWMYVZEO-UHFFFAOYSA-N 1 0 359.495 2.565 20 10 FFCDRO Cc1nnsc1C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000877033875 732315039 /nfs/dbraw/zinc/31/50/39/732315039.db2.gz QMXZAAQJLWAEJE-CQSZACIVSA-N 1 0 352.891 2.960 20 10 FFCDRO Cn1cc(CCC[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000877033985 732315395 /nfs/dbraw/zinc/31/53/95/732315395.db2.gz UKEPZDJCONWAOU-GOSISDBHSA-N 1 0 362.905 2.966 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000877593928 732394926 /nfs/dbraw/zinc/39/49/26/732394926.db2.gz JTBWUNPXBHRBND-UHFFFAOYSA-N 1 0 350.459 2.552 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1O ZINC000877706732 732416972 /nfs/dbraw/zinc/41/69/72/732416972.db2.gz QZCYLDWMMPWJEP-CQSZACIVSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877745082 732422043 /nfs/dbraw/zinc/42/20/43/732422043.db2.gz ZVQFMBDERRYTFF-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877799279 732435099 /nfs/dbraw/zinc/43/50/99/732435099.db2.gz LQKPGPUYBVERCZ-XOKHGSTOSA-N 1 0 366.889 2.677 20 10 FFCDRO Cc1nc(C)c(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000878892295 732610230 /nfs/dbraw/zinc/61/02/30/732610230.db2.gz RSFUINGHRPPMKC-UHFFFAOYSA-N 1 0 359.499 2.833 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926949783 738672376 /nfs/dbraw/zinc/67/23/76/738672376.db2.gz QETICASYVPPQQW-ZSEWYUTFSA-N 1 0 356.260 2.918 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3CCC(F)(F)CC3)cc2)CC1 ZINC000881851793 733120280 /nfs/dbraw/zinc/12/02/80/733120280.db2.gz AOWIGNUBGCVKQG-UHFFFAOYSA-N 1 0 351.441 2.880 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000886668168 733814359 /nfs/dbraw/zinc/81/43/59/733814359.db2.gz OCXMJGZGUSQNHN-YQQAZPJKSA-N 1 0 368.905 2.757 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCC(C)CC1 ZINC000726248581 734415602 /nfs/dbraw/zinc/41/56/02/734415602.db2.gz ZNZBWLQOZYLERI-OAHLLOKOSA-N 1 0 350.482 2.811 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccnc2OCC(F)F)c(O)c1OC ZINC000893255225 734676076 /nfs/dbraw/zinc/67/60/76/734676076.db2.gz HLAZZTUAWSOXOI-UHFFFAOYSA-N 1 0 354.353 2.738 20 10 FFCDRO Cc1cnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000893260442 734676554 /nfs/dbraw/zinc/67/65/54/734676554.db2.gz YZEXFKWAPHWIPE-INIZCTEOSA-N 1 0 361.515 2.620 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000895694162 735040876 /nfs/dbraw/zinc/04/08/76/735040876.db2.gz DBIRGFJNHFNTQJ-UHFFFAOYSA-N 1 0 372.259 2.545 20 10 FFCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1CCOc1ccccc1 ZINC000742373120 735234649 /nfs/dbraw/zinc/23/46/49/735234649.db2.gz OPNIEWOYMPHIGA-AWEZNQCLSA-N 1 0 360.841 2.815 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443416 738891769 /nfs/dbraw/zinc/89/17/69/738891769.db2.gz SBGNWDWGGDZFRW-IVMMDQJWSA-N 1 0 352.862 2.551 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900255196 735620569 /nfs/dbraw/zinc/62/05/69/735620569.db2.gz VTQDRDCTSSFVHZ-MOPGFXCFSA-N 1 0 359.539 2.873 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900255198 735620660 /nfs/dbraw/zinc/62/06/60/735620660.db2.gz VTQDRDCTSSFVHZ-RBUKOAKNSA-N 1 0 359.539 2.873 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000748438671 735644962 /nfs/dbraw/zinc/64/49/62/735644962.db2.gz BIAQJDODADSUEY-OAHLLOKOSA-N 1 0 357.420 2.890 20 10 FFCDRO CCc1cc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000902615763 735969910 /nfs/dbraw/zinc/96/99/10/735969910.db2.gz UNBZRIUUXHLBSP-IYBDPMFKSA-N 1 0 351.512 2.729 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1O ZINC000903212700 736056166 /nfs/dbraw/zinc/05/61/66/736056166.db2.gz JWMSBWSUXATPTC-NWDGAFQWSA-N 1 0 355.276 2.982 20 10 FFCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753566698 736078499 /nfs/dbraw/zinc/07/84/99/736078499.db2.gz UBCJKZRVEYXWAE-KRWDZBQOSA-N 1 0 361.463 2.638 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC000753587980 736079965 /nfs/dbraw/zinc/07/99/65/736079965.db2.gz XWFQJNLPSHNUGY-UHFFFAOYSA-N 1 0 355.232 2.538 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3CC(F)(F)C3)cc2F)CC1 ZINC000753609072 736081967 /nfs/dbraw/zinc/08/19/67/736081967.db2.gz SGQYKALECIEWRV-UHFFFAOYSA-N 1 0 355.404 2.629 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1O ZINC000754726074 736191542 /nfs/dbraw/zinc/19/15/42/736191542.db2.gz MSRHBGWFMTXSQQ-UHFFFAOYSA-N 1 0 360.376 2.600 20 10 FFCDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756104055 736307348 /nfs/dbraw/zinc/30/73/48/736307348.db2.gz YVFLTWPXYLXHEX-SUMWQHHRSA-N 1 0 357.420 2.582 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756746250 736357569 /nfs/dbraw/zinc/35/75/69/736357569.db2.gz IUDZFPWXPBMEQS-IAQYHMDHSA-N 1 0 368.474 2.626 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000757706582 736421248 /nfs/dbraw/zinc/42/12/48/736421248.db2.gz XBPYDJJKFRUBJI-LBPRGKRZSA-N 1 0 360.907 2.758 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000761497856 736740700 /nfs/dbraw/zinc/74/07/00/736740700.db2.gz BUTGCAODKXLVEZ-UKRRQHHQSA-N 1 0 358.276 2.983 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)oc1Br ZINC000911667310 737221610 /nfs/dbraw/zinc/22/16/10/737221610.db2.gz PUFSVVMZLJXVHZ-CYBMUJFWSA-N 1 0 366.259 2.846 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2=NCCS2)C1 ZINC000766386100 737225417 /nfs/dbraw/zinc/22/54/17/737225417.db2.gz LPZDDXYSYFDAPE-UHFFFAOYSA-N 1 0 356.495 2.627 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000769528701 737539218 /nfs/dbraw/zinc/53/92/18/737539218.db2.gz XUBQQEMJJNHGHH-HNNXBMFYSA-N 1 0 356.260 2.925 20 10 FFCDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773044704 737865495 /nfs/dbraw/zinc/86/54/95/737865495.db2.gz REICTUVFLGACTN-XMQCVEROSA-N 1 0 358.935 2.984 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1O ZINC000775525185 738099318 /nfs/dbraw/zinc/09/93/18/738099318.db2.gz DSHGVHOXWDIVFT-LSDHHAIUSA-N 1 0 362.861 2.934 20 10 FFCDRO CCn1nccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000775880969 738135508 /nfs/dbraw/zinc/13/55/08/738135508.db2.gz UTPQNWMVEUOEOQ-HNNXBMFYSA-N 1 0 362.861 2.656 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000922417772 738141717 /nfs/dbraw/zinc/14/17/17/738141717.db2.gz NVTIZDGORVCHRN-PLNGDYQASA-N 1 0 350.528 2.959 20 10 FFCDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000922450844 738147163 /nfs/dbraw/zinc/14/71/63/738147163.db2.gz AGPAFZLVQABVOQ-UHFFFAOYSA-N 1 0 368.886 2.727 20 10 FFCDRO CC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1cc(Br)ccc1O ZINC000775972117 738148630 /nfs/dbraw/zinc/14/86/30/738148630.db2.gz HTTZERQMQRIMPQ-IYBDPMFKSA-N 1 0 369.303 2.840 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCCOC)cc1F ZINC000776812386 738235605 /nfs/dbraw/zinc/23/56/05/738235605.db2.gz ILFQPHJJRGSXOC-HKUYNNGSSA-N 1 0 354.466 2.582 20 10 FFCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000776870505 738240426 /nfs/dbraw/zinc/24/04/26/738240426.db2.gz VHPBQPFWBFPFON-SGIREYDYSA-N 1 0 374.275 2.626 20 10 FFCDRO COC1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793047239 739734652 /nfs/dbraw/zinc/73/46/52/739734652.db2.gz ITOVRLXCLZULSF-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c(C)c3Cl)cc2)CC1 ZINC000798397957 740328296 /nfs/dbraw/zinc/32/82/96/740328296.db2.gz NOLUZDRDTAVOSK-UHFFFAOYSA-N 1 0 358.873 2.746 20 10 FFCDRO C[N@H+](CCNC(=O)NCc1cc(Br)ccc1O)C1CCCC1 ZINC000805078422 740935951 /nfs/dbraw/zinc/93/59/51/740935951.db2.gz BCLKCINWTIYSNB-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C[N@@H+]1C1CC1 ZINC000805191012 740948536 /nfs/dbraw/zinc/94/85/36/740948536.db2.gz NNKCPVFHVCATLH-ZWNOBZJWSA-N 1 0 368.275 2.579 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179290 741045534 /nfs/dbraw/zinc/04/55/34/741045534.db2.gz QNPUUHSQOJHEPM-YPMHNXCESA-N 1 0 351.244 2.976 20 10 FFCDRO CCOc1ccc(C[NH2+]CCCn2cc(Br)cn2)c(O)c1 ZINC000808436535 741225479 /nfs/dbraw/zinc/22/54/79/741225479.db2.gz HUCCYDGVCYCUKZ-UHFFFAOYSA-N 1 0 354.248 2.930 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)c1O ZINC000808694568 741253042 /nfs/dbraw/zinc/25/30/42/741253042.db2.gz FJRGQZKFMXWVQO-CYBMUJFWSA-N 1 0 353.894 2.557 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000808706702 741254388 /nfs/dbraw/zinc/25/43/88/741254388.db2.gz RLUVYAXCKWVQLW-WFASDCNBSA-N 1 0 362.861 2.934 20 10 FFCDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)n(C)n1 ZINC000808706688 741254498 /nfs/dbraw/zinc/25/44/98/741254498.db2.gz RCUCXGKIRFDUTR-SWLSCSKDSA-N 1 0 362.861 2.852 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1O ZINC000809697893 741333291 /nfs/dbraw/zinc/33/32/91/741333291.db2.gz RBWSVXHEANMVEE-OAHLLOKOSA-N 1 0 367.877 2.824 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCc2cnn(C)n2)c1O ZINC000815640821 741949706 /nfs/dbraw/zinc/94/97/06/741949706.db2.gz IHQRHAOJRFIYKL-NSHDSACASA-N 1 0 353.264 2.875 20 10 FFCDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000818010449 742229283 /nfs/dbraw/zinc/22/92/83/742229283.db2.gz LEMHQWDJQQCNMP-UHFFFAOYSA-N 1 0 350.260 2.887 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)cc1F ZINC000822526826 742748748 /nfs/dbraw/zinc/74/87/48/742748748.db2.gz YTIMMXOQSANKIU-LJQANCHMSA-N 1 0 350.478 2.939 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC000823851700 742990025 /nfs/dbraw/zinc/99/00/25/742990025.db2.gz WMTXEXKGSJANIC-IBGZPJMESA-N 1 0 350.528 2.980 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCn2cc(Br)ccc2=O)cc1C ZINC000824543746 743101604 /nfs/dbraw/zinc/10/16/04/743101604.db2.gz NCMDZXPIJJLYRJ-UHFFFAOYSA-N 1 0 351.244 2.723 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824560915 743105036 /nfs/dbraw/zinc/10/50/36/743105036.db2.gz MLDBXWXKWQMHIU-CQSZACIVSA-N 1 0 367.287 2.893 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824606371 743114983 /nfs/dbraw/zinc/11/49/83/743114983.db2.gz QKUSJXAWPIINLZ-UONOGXRCSA-N 1 0 354.878 2.717 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)cc1OC ZINC000825124853 743214310 /nfs/dbraw/zinc/21/43/10/743214310.db2.gz ZRARTEQCPPPGHF-GFCCVEGCSA-N 1 0 362.392 2.725 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826785615 743442116 /nfs/dbraw/zinc/44/21/16/743442116.db2.gz ZNYNATMREIMVFW-UHFFFAOYSA-N 1 0 351.244 2.833 20 10 FFCDRO CC1CC[NH+](CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000827067798 743498517 /nfs/dbraw/zinc/49/85/17/743498517.db2.gz UGYYRSUEOVGGJP-UHFFFAOYSA-N 1 0 358.511 2.778 20 10 FFCDRO C[C@H]1CCC[N@H+](CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827075595 743500088 /nfs/dbraw/zinc/50/00/88/743500088.db2.gz CXERBRHFJLSPOW-AWEZNQCLSA-N 1 0 358.511 2.778 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827634252 744951493 /nfs/dbraw/zinc/95/14/93/744951493.db2.gz MMTYFNSHVZCITB-ZDUSSCGKSA-N 1 0 367.287 2.907 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C[N@@H+]1C1CC1 ZINC000832128607 745641034 /nfs/dbraw/zinc/64/10/34/745641034.db2.gz IYEHJLQXDMBMTP-WFASDCNBSA-N 1 0 356.495 2.671 20 10 FFCDRO CCO[C@H](C)c1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832272982 745669591 /nfs/dbraw/zinc/66/95/91/745669591.db2.gz KYIQGRMVAGMDJT-IUODEOHRSA-N 1 0 362.499 2.736 20 10 FFCDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834843782 745912861 /nfs/dbraw/zinc/91/28/61/745912861.db2.gz LGPBHRMSRRFXPT-RDTXWAMCSA-N 1 0 356.894 2.615 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834913942 745923261 /nfs/dbraw/zinc/92/32/61/745923261.db2.gz JORVFAJHUPEOPA-JKOKRWQUSA-N 1 0 353.260 2.959 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1O ZINC000834915710 745924007 /nfs/dbraw/zinc/92/40/07/745924007.db2.gz TWEULDLOVSHBRC-JKOKRWQUSA-N 1 0 353.260 2.959 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1C ZINC000835066877 745943225 /nfs/dbraw/zinc/94/32/25/745943225.db2.gz DMWCWHYAUYSWJU-INIZCTEOSA-N 1 0 350.459 2.735 20 10 FFCDRO COC[C@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838961874 746746023 /nfs/dbraw/zinc/74/60/23/746746023.db2.gz YMROIPUWWBZABR-HNNXBMFYSA-N 1 0 371.319 2.926 20 10 FFCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838979349 746749300 /nfs/dbraw/zinc/74/93/00/746749300.db2.gz NFMWSZRQKVDMIR-GFCCVEGCSA-N 1 0 354.292 2.793 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CN1C1CC1 ZINC000839146713 746787976 /nfs/dbraw/zinc/78/79/76/746787976.db2.gz RVIQPLCPFYYKKT-ZFWWWQNUSA-N 1 0 351.441 2.516 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839683234 746893035 /nfs/dbraw/zinc/89/30/35/746893035.db2.gz MEAMHFUNTNFGBR-LJQANCHMSA-N 1 0 361.555 2.895 20 10 FFCDRO CCn1cc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cn1 ZINC000840761662 747175726 /nfs/dbraw/zinc/17/57/26/747175726.db2.gz ZPNHVALILAZXIW-ZDUSSCGKSA-N 1 0 350.413 2.869 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000840894747 747217009 /nfs/dbraw/zinc/21/70/09/747217009.db2.gz VDAHMBVQEPHXLV-UHFFFAOYSA-N 1 0 369.870 2.926 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840947806 747238457 /nfs/dbraw/zinc/23/84/57/747238457.db2.gz GPTLPESZIVINQK-SWLSCSKDSA-N 1 0 360.907 2.552 20 10 FFCDRO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000840953881 747241726 /nfs/dbraw/zinc/24/17/26/747241726.db2.gz BZGSVAKIOKYOSI-UHFFFAOYSA-N 1 0 360.479 2.545 20 10 FFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000840975610 747248965 /nfs/dbraw/zinc/24/89/65/747248965.db2.gz PLZYMHVLOFWNFI-MRXNPFEDSA-N 1 0 372.259 2.938 20 10 FFCDRO CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841030445 747259026 /nfs/dbraw/zinc/25/90/26/747259026.db2.gz MCJKKRIRTHXKPN-LLVKDONJSA-N 1 0 366.097 2.990 20 10 FFCDRO COCC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CC[NH2+]CC1 ZINC000841068776 747263116 /nfs/dbraw/zinc/26/31/16/747263116.db2.gz VKRALOQUYAPKGA-UHFFFAOYSA-N 1 0 357.292 2.569 20 10 FFCDRO C[NH2+]CCC[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000841104048 747270151 /nfs/dbraw/zinc/27/01/51/747270151.db2.gz MTEQFBZFOPKACR-UHFFFAOYSA-N 1 0 366.097 2.959 20 10 FFCDRO CCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000841707736 747437597 /nfs/dbraw/zinc/43/75/97/747437597.db2.gz YRYRALPGCWGVSJ-GOSISDBHSA-N 1 0 362.543 2.523 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(Cl)cc1O ZINC000841753427 747449535 /nfs/dbraw/zinc/44/95/35/747449535.db2.gz SYSHUXGTDKCZSN-LBPRGKRZSA-N 1 0 369.870 2.662 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841982393 747496211 /nfs/dbraw/zinc/49/62/11/747496211.db2.gz BFYSVQFYJGGUAL-KBPBESRZSA-N 1 0 370.291 2.956 20 10 FFCDRO CC[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)ccc1O ZINC000842905380 747717865 /nfs/dbraw/zinc/71/78/65/747717865.db2.gz YBBNLYPFPXYNKW-CYBMUJFWSA-N 1 0 353.264 2.957 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843452022 747838965 /nfs/dbraw/zinc/83/89/65/747838965.db2.gz JFHAJZPGYHWWOY-SNVBAGLBSA-N 1 0 365.275 2.576 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C(F)F)CC3)cc2F)CC1 ZINC000843544883 747851548 /nfs/dbraw/zinc/85/15/48/747851548.db2.gz HLOYYDXSRALDFF-UHFFFAOYSA-N 1 0 355.404 2.629 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000844162345 747982373 /nfs/dbraw/zinc/98/23/73/747982373.db2.gz IBOYZWMGGBUFJH-QGZVFWFLSA-N 1 0 351.441 2.880 20 10 FFCDRO COC/C(C)=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845832347 748334040 /nfs/dbraw/zinc/33/40/40/748334040.db2.gz CEBMRQFNHKQWDF-LPDYGMJQSA-N 1 0 352.862 2.719 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846143591 748414613 /nfs/dbraw/zinc/41/46/13/748414613.db2.gz JRXGDHJQVOPLIU-QWHCGFSZSA-N 1 0 364.467 2.721 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846187426 748426389 /nfs/dbraw/zinc/42/63/89/748426389.db2.gz FZGZQGVIMOAUHS-UHFFFAOYSA-N 1 0 370.291 2.815 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000846205961 748430058 /nfs/dbraw/zinc/43/00/58/748430058.db2.gz LUURNXJTAUIEBD-GHMZBOCLSA-N 1 0 353.260 2.816 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000846222142 748433251 /nfs/dbraw/zinc/43/32/51/748433251.db2.gz GPLIQQNDALUQKR-OWQGQXMQSA-N 1 0 366.889 2.967 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000848525111 748949003 /nfs/dbraw/zinc/94/90/03/748949003.db2.gz KIXJUDDRJMAASX-GWCFXTLKSA-N 1 0 374.275 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000848523372 748949363 /nfs/dbraw/zinc/94/93/63/748949363.db2.gz BRCGTWDCDPYALW-MNOVXSKESA-N 1 0 371.275 2.825 20 10 FFCDRO CC[S@](=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531714 748951448 /nfs/dbraw/zinc/95/14/48/748951448.db2.gz UMTVYVGVAXVQLR-HOGDKLEQSA-N 1 0 350.278 2.583 20 10 FFCDRO COc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000850226817 749325167 /nfs/dbraw/zinc/32/51/67/749325167.db2.gz SKIXNNISNXWILO-UHFFFAOYSA-N 1 0 355.500 2.613 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850301337 749338806 /nfs/dbraw/zinc/33/88/06/749338806.db2.gz SHXIBFBLZQPQAP-ZDUSSCGKSA-N 1 0 355.500 2.613 20 10 FFCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CS1(=O)=O ZINC000850368896 749354046 /nfs/dbraw/zinc/35/40/46/749354046.db2.gz GIWURYBUPORKAL-AAEUAGOBSA-N 1 0 364.433 2.827 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1F ZINC000852865838 749966355 /nfs/dbraw/zinc/96/63/55/749966355.db2.gz ADBIQIILVJDVMO-INIZCTEOSA-N 1 0 361.383 2.830 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cc1[O-] ZINC000854232618 750266713 /nfs/dbraw/zinc/26/67/13/750266713.db2.gz VQXRLEWAHIXJSW-QGZVFWFLSA-N 1 0 351.466 2.563 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000390093057 845841310 /nfs/dbraw/zinc/84/13/10/845841310.db2.gz FNJYLHLAARLZEU-HNNXBMFYSA-N 1 0 354.422 2.647 20 10 FFCDRO CC(C)OC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000895828918 970994877 /nfs/dbraw/zinc/99/48/77/970994877.db2.gz PAMUVKSFFISGKF-UHFFFAOYSA-N 1 0 364.461 2.826 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1 ZINC000893227376 971024372 /nfs/dbraw/zinc/02/43/72/971024372.db2.gz YHOUVQIYAUPVIN-UHFFFAOYSA-N 1 0 366.509 2.912 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(O)c(F)c3)cc2)CC1 ZINC000896054594 971189770 /nfs/dbraw/zinc/18/97/70/971189770.db2.gz WVLZRUZGOSDIDB-UHFFFAOYSA-N 1 0 357.429 2.523 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)N1Cc1cnoc1 ZINC001275840776 1013068839 /nfs/dbraw/zinc/06/88/39/1013068839.db2.gz RFRVUXIEUNBMAQ-HZPDHXFCSA-N 1 0 361.829 2.799 20 10 FFCDRO Cn1cncc1CN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275840134 1013069056 /nfs/dbraw/zinc/06/90/56/1013069056.db2.gz FRJUORNRJHMZIH-IBGZPJMESA-N 1 0 374.872 2.546 20 10 FFCDRO CCOc1cccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190315067 971600971 /nfs/dbraw/zinc/60/09/71/971600971.db2.gz NGCSQPYBFINSFR-QFIPXVFZSA-N 1 0 370.493 2.860 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000783219901 971619436 /nfs/dbraw/zinc/61/94/36/971619436.db2.gz BJIYNGDOSWDGBF-UYAOXDASSA-N 1 0 359.514 2.683 20 10 FFCDRO COC1CCN(c2ccc(CN3Cc4nc(C)[nH]c(=O)c4C3)cc2)CC1 ZINC000931314153 971891685 /nfs/dbraw/zinc/89/16/85/971891685.db2.gz WSNIJTJIHWNNQL-UHFFFAOYSA-N 1 0 354.454 2.622 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000893391133 972109510 /nfs/dbraw/zinc/10/95/10/972109510.db2.gz KVMWPOFUNRWWHY-AWEZNQCLSA-N 1 0 366.458 2.802 20 10 FFCDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888594107 1013148479 /nfs/dbraw/zinc/14/84/79/1013148479.db2.gz VSHWMRPQJDLDFY-OAHLLOKOSA-N 1 0 364.453 2.860 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cocn2)C1 ZINC000683443223 960694344 /nfs/dbraw/zinc/69/43/44/960694344.db2.gz GRYPEMXQNMQUKU-UHFFFAOYSA-N 1 0 352.438 2.712 20 10 FFCDRO COc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+]2CCCC2)cc1 ZINC000177658654 961993989 /nfs/dbraw/zinc/99/39/89/961993989.db2.gz NZYSKANZTFPCOM-SFHVURJKSA-N 1 0 370.449 2.982 20 10 FFCDRO CCn1nc(C)c(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891249517 962586152 /nfs/dbraw/zinc/58/61/52/962586152.db2.gz RICMICLPUCYHPL-FQEVSTJZSA-N 1 0 371.529 2.547 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCc3cccnc32)[NH+](C)C)cc1 ZINC000891248738 962589169 /nfs/dbraw/zinc/58/91/69/962589169.db2.gz NNGMPCRVTTZPSG-VQTJNVASSA-N 1 0 366.509 2.987 20 10 FFCDRO Cc1noc(C)c1[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253366 962607093 /nfs/dbraw/zinc/60/70/93/962607093.db2.gz RROIIIZBEPWYRQ-SCLBCKFNSA-N 1 0 358.486 2.880 20 10 FFCDRO CCc1noc(CC)c1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254150 962612790 /nfs/dbraw/zinc/61/27/90/962612790.db2.gz WIOHGYWKZIPEFA-LJQANCHMSA-N 1 0 372.513 2.827 20 10 FFCDRO Cc1noc(C)c1CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255969 962620237 /nfs/dbraw/zinc/62/02/37/962620237.db2.gz UKQDDPAHANHVQC-LJQANCHMSA-N 1 0 358.486 2.709 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CSCc2ccccn2)[NH+](C)C)cc1 ZINC000891255451 962622315 /nfs/dbraw/zinc/62/23/15/962622315.db2.gz PLGLOTUOFKTBDJ-LJQANCHMSA-N 1 0 372.538 2.800 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1Cn1cccn1 ZINC000873046367 1013361343 /nfs/dbraw/zinc/36/13/43/1013361343.db2.gz PCCQBWHEWKWFRE-FQEVSTJZSA-N 1 0 351.450 2.633 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]2Cc1cc(F)ccc1O ZINC001276063820 1013387173 /nfs/dbraw/zinc/38/71/73/1013387173.db2.gz MAMNONJFKPAESU-HXUWFJFHSA-N 1 0 355.413 2.693 20 10 FFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000873191149 1013417280 /nfs/dbraw/zinc/41/72/80/1013417280.db2.gz JWJRRVOVZLSFBV-QFIPXVFZSA-N 1 0 370.493 2.615 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(O)c1OC ZINC000891523967 964426405 /nfs/dbraw/zinc/42/64/05/964426405.db2.gz FQCKDFDUHOSMEM-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891782191 965073950 /nfs/dbraw/zinc/07/39/50/965073950.db2.gz OQTHTLAKHMYDSM-HOCLYGCPSA-N 1 0 364.486 2.926 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000780376001 965698140 /nfs/dbraw/zinc/69/81/40/965698140.db2.gz YXMKCUIYQGJRGI-IBGZPJMESA-N 1 0 367.493 2.770 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000729481379 966092249 /nfs/dbraw/zinc/09/22/49/966092249.db2.gz PQASKVGNFNHUNC-GOSISDBHSA-N 1 0 355.457 2.997 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)C3(C[NH3+])CCCCC3)C2)cc1 ZINC000892192758 966244505 /nfs/dbraw/zinc/24/45/05/966244505.db2.gz HIPBUTIFINBPTP-KRWDZBQOSA-N 1 0 374.529 2.825 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ncccn2)cc1C ZINC001087228712 967057990 /nfs/dbraw/zinc/05/79/90/967057990.db2.gz KFGXWQQCEILVBD-QAPCUYQASA-N 1 0 368.481 2.824 20 10 FFCDRO Cc1ccnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000895052963 967249564 /nfs/dbraw/zinc/24/95/64/967249564.db2.gz VDSQTBOTXFFXQF-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255576688 967652676 /nfs/dbraw/zinc/65/26/76/967652676.db2.gz FYWCSFPNUFZKMB-IOBAAEILSA-N 1 0 361.442 2.949 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C1N=NC(=O)N1C ZINC000895176418 968133895 /nfs/dbraw/zinc/13/38/95/968133895.db2.gz OGAWMXQFUCRQOH-CYBMUJFWSA-N 1 0 354.410 2.656 20 10 FFCDRO CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895211188 968472978 /nfs/dbraw/zinc/47/29/78/968472978.db2.gz YJLZUBDRLUQAAB-YJBOKZPZSA-N 1 0 372.517 2.632 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c(O)c1OC ZINC000892466839 968899663 /nfs/dbraw/zinc/89/96/63/968899663.db2.gz SPABPDXUOKEYDF-SFHVURJKSA-N 1 0 372.465 2.573 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1 ZINC001177061551 1013840569 /nfs/dbraw/zinc/84/05/69/1013840569.db2.gz PNQGMTCCFBNLSC-HNNXBMFYSA-N 1 0 371.319 2.910 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000066697939 969852856 /nfs/dbraw/zinc/85/28/56/969852856.db2.gz KMDLATAOPVCJPX-GOSISDBHSA-N 1 0 363.502 2.671 20 10 FFCDRO Cc1cccnc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892832817 970321409 /nfs/dbraw/zinc/32/14/09/970321409.db2.gz ZWTVXTXNOSFEKA-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000653043190 1014215029 /nfs/dbraw/zinc/21/50/29/1014215029.db2.gz GMKPNMVLEHHXJB-INIZCTEOSA-N 1 0 369.509 2.987 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000248791789 975104441 /nfs/dbraw/zinc/10/44/41/975104441.db2.gz IWDKBWKDXCQXGO-TZCIALRTSA-N 1 0 352.434 2.748 20 10 FFCDRO CON1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000924705738 976121176 /nfs/dbraw/zinc/12/11/76/976121176.db2.gz MHUVZADJNPJFMP-UHFFFAOYSA-N 1 0 373.419 2.657 20 10 FFCDRO CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000899097665 976905650 /nfs/dbraw/zinc/90/56/50/976905650.db2.gz DWHDVOVVDGCOAN-RBUKOAKNSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC000899097611 976905788 /nfs/dbraw/zinc/90/57/88/976905788.db2.gz CJJXRUZGEGZEKQ-SJLPKXTDSA-N 1 0 366.456 2.796 20 10 FFCDRO Cc1noc(C)c1CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100979 976927247 /nfs/dbraw/zinc/92/72/47/976927247.db2.gz FQWDJUSGEIBNDQ-LJQANCHMSA-N 1 0 373.501 2.802 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1ccccc1C ZINC000796579044 1014382721 /nfs/dbraw/zinc/38/27/21/1014382721.db2.gz BAQPWEJOCMWKFK-NRFANRHFSA-N 1 0 353.466 2.783 20 10 FFCDRO Cc1cnccc1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893837399 977559749 /nfs/dbraw/zinc/55/97/49/977559749.db2.gz PNJLBNDSGXFRNY-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO COc1ccccc1OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876881698 1014409010 /nfs/dbraw/zinc/40/90/10/1014409010.db2.gz NABXBMZXKJVWNQ-UHFFFAOYSA-N 1 0 356.466 2.825 20 10 FFCDRO COc1ccc(CN2CCO[C@@H](COc3ccccc3)C2)c(O)c1OC ZINC000893985710 977629572 /nfs/dbraw/zinc/62/95/72/977629572.db2.gz LEYBKIBBCDRWBA-QGZVFWFLSA-N 1 0 359.422 2.689 20 10 FFCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000876987186 1014441885 /nfs/dbraw/zinc/44/18/85/1014441885.db2.gz RILKXUPVOLAWKK-AWEZNQCLSA-N 1 0 357.454 2.797 20 10 FFCDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(N2CCOCC2)cc1 ZINC000876986797 1014441038 /nfs/dbraw/zinc/44/10/38/1014441038.db2.gz LCGWDMYJHLNKMP-MXWWQKGMSA-N 1 0 371.441 2.682 20 10 FFCDRO COC(=O)c1c(C[NH2+]Cc2ccccc2CO)c2cc(F)ccc2n1C ZINC000894202810 978141742 /nfs/dbraw/zinc/14/17/42/978141742.db2.gz MDUFARVLASQXET-UHFFFAOYSA-N 1 0 356.397 2.886 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)cc2F)C[C@@H](C)O1 ZINC000729285735 978226811 /nfs/dbraw/zinc/22/68/11/978226811.db2.gz LIUCELLYBGWGPW-HZPDHXFCSA-N 1 0 365.493 2.787 20 10 FFCDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877305279 1014543184 /nfs/dbraw/zinc/54/31/84/1014543184.db2.gz LOUJOSWADLVJTL-GOSISDBHSA-N 1 0 358.482 2.978 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCc2ccccc21 ZINC000877498786 1014602260 /nfs/dbraw/zinc/60/22/60/1014602260.db2.gz JBSQUDFOCQOSTC-HSZRJFAPSA-N 1 0 366.505 2.961 20 10 FFCDRO COc1ccccc1NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905529764 980463593 /nfs/dbraw/zinc/46/35/93/980463593.db2.gz OECQSZVKLPBIHM-UHFFFAOYSA-N 1 0 370.522 2.934 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000877676782 1014671598 /nfs/dbraw/zinc/67/15/98/1014671598.db2.gz GBNFDSUGHQJNAE-UHFFFAOYSA-N 1 0 364.486 2.894 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1 ZINC000877688046 1014682171 /nfs/dbraw/zinc/68/21/71/1014682171.db2.gz PFVGCUAIRRRFJJ-IEBWSBKVSA-N 1 0 369.465 2.795 20 10 FFCDRO CCOc1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c(O)c1 ZINC000877688266 1014682656 /nfs/dbraw/zinc/68/26/56/1014682656.db2.gz SAARIYLDBKCNBH-IEBWSBKVSA-N 1 0 369.465 2.795 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)cc1 ZINC000179186663 981518045 /nfs/dbraw/zinc/51/80/45/981518045.db2.gz PWWFNZBRQDKHFX-UHFFFAOYSA-N 1 0 353.466 2.870 20 10 FFCDRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc2c(cc1O)CCC2 ZINC000179188100 981519317 /nfs/dbraw/zinc/51/93/17/981519317.db2.gz FUJMUZRLNKYZQH-UHFFFAOYSA-N 1 0 350.418 2.609 20 10 FFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000877831205 1014747611 /nfs/dbraw/zinc/74/76/11/1014747611.db2.gz POKYYAFNRXMYKU-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877923458 1014769449 /nfs/dbraw/zinc/76/94/49/1014769449.db2.gz PZZRSWMYJMMTGP-FQEVSTJZSA-N 1 0 360.498 2.683 20 10 FFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237486081 981993278 /nfs/dbraw/zinc/99/32/78/981993278.db2.gz MGLQAWOPNQRZJA-PXNSSMCTSA-N 1 0 373.541 2.537 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(OC(F)F)cc2F)cc1 ZINC000911668196 983863569 /nfs/dbraw/zinc/86/35/69/983863569.db2.gz WAEGBQZTPMVVFN-MRXNPFEDSA-N 1 0 367.371 2.923 20 10 FFCDRO C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000163999163 984317520 /nfs/dbraw/zinc/31/75/20/984317520.db2.gz LZOZRPBTEMPGEQ-HNNXBMFYSA-N 1 0 361.486 2.793 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000764808678 984728506 /nfs/dbraw/zinc/72/85/06/984728506.db2.gz GNXKSVXMODWCTC-YLJYHZDGSA-N 1 0 356.466 2.614 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H]3CCO[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000761220114 984924941 /nfs/dbraw/zinc/92/49/41/984924941.db2.gz UWKSQICASOGHBB-HOTGVXAUSA-N 1 0 364.486 2.650 20 10 FFCDRO CC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000170915570 985173426 /nfs/dbraw/zinc/17/34/26/985173426.db2.gz LQSZRFWQAGPEPK-HRCADAONSA-N 1 0 365.493 2.786 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cc2)C1 ZINC000921575376 985408323 /nfs/dbraw/zinc/40/83/23/985408323.db2.gz QMXAQJIBBVOLBR-QGZVFWFLSA-N 1 0 367.497 2.600 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2O)[C@H](C)C1 ZINC001596916596 985948330 /nfs/dbraw/zinc/94/83/30/985948330.db2.gz GHUGBTCZYWNNNJ-RKVPGOIHSA-N 1 0 364.486 2.878 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000311293935 986394207 /nfs/dbraw/zinc/39/42/07/986394207.db2.gz CAWMRSQBQCBEGP-OAHLLOKOSA-N 1 0 366.458 2.516 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cnn(C(C)(C)C)c3)cc2)CC1 ZINC000878827849 1015239623 /nfs/dbraw/zinc/23/96/23/1015239623.db2.gz FPCUSOLUAIWFGB-UHFFFAOYSA-N 1 0 370.501 2.712 20 10 FFCDRO COCC[N@H+](C)CCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000915266486 988349033 /nfs/dbraw/zinc/34/90/33/988349033.db2.gz CHGZWNSBEJPEEQ-UHFFFAOYSA-N 1 0 373.497 2.801 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CC(F)(F)F)cc2)CC1 ZINC000922708571 988834017 /nfs/dbraw/zinc/83/40/17/988834017.db2.gz YJKOQPLVZOBNAB-QGZVFWFLSA-N 1 0 371.447 2.764 20 10 FFCDRO CC(C)C[C@H]1CN(Cc2ccc(I)cc2O)CC[NH2+]1 ZINC001235881768 989206727 /nfs/dbraw/zinc/20/67/27/989206727.db2.gz KRSUTAVLGLYPID-AWEZNQCLSA-N 1 0 374.266 2.817 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1O)c1cccc(OC)c1 ZINC000186833547 989274670 /nfs/dbraw/zinc/27/46/70/989274670.db2.gz YHBXIFIINOKBHX-QGZVFWFLSA-N 1 0 358.438 2.919 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cccc(C)c1)cc2=O ZINC000917842468 990283914 /nfs/dbraw/zinc/28/39/14/990283914.db2.gz VWYOCUJYEHUENR-UHFFFAOYSA-N 1 0 354.410 2.552 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034963152 990331195 /nfs/dbraw/zinc/33/11/95/990331195.db2.gz DBDIKPGFSJGLSW-GGPKGHCWSA-N 1 0 360.498 2.899 20 10 FFCDRO C[NH+](C)CCC[C@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC001598217201 990882234 /nfs/dbraw/zinc/88/22/34/990882234.db2.gz NAHQSBRRWNAAEA-INIZCTEOSA-N 1 0 372.465 2.786 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N(C(C)C)C3CC3)CC2)cc1 ZINC000175633573 991233507 /nfs/dbraw/zinc/23/35/07/991233507.db2.gz FJLLOPRHALNZRM-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1O ZINC000879650825 1015625718 /nfs/dbraw/zinc/62/57/18/1015625718.db2.gz RMXAFKNKJKXQTP-AWEZNQCLSA-N 1 0 367.449 2.964 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000181513447 991788765 /nfs/dbraw/zinc/78/87/65/991788765.db2.gz LADLEUWJFRXBBO-HXUWFJFHSA-N 1 0 361.530 2.632 20 10 FFCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@H]2C(F)(F)F)cc1Br ZINC001236982910 991989154 /nfs/dbraw/zinc/98/91/54/991989154.db2.gz SXPJSLPNIWLXAY-GFCCVEGCSA-N 1 0 353.182 2.799 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747545643 994451699 /nfs/dbraw/zinc/45/16/99/994451699.db2.gz CACKYFBTJUJTTQ-UHFFFAOYSA-N 1 0 360.421 2.965 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000903438960 1015891475 /nfs/dbraw/zinc/89/14/75/1015891475.db2.gz ATJJNVMMJDBJJE-YFZFPPMRSA-N 1 0 356.441 2.971 20 10 FFCDRO CN(C)c1ccc([C@H](CN[C@H](c2nc[nH]n2)c2ccccc2)[NH+](C)C)cc1 ZINC000903448000 1015898155 /nfs/dbraw/zinc/89/81/55/1015898155.db2.gz HKDWTQSCRRYRHQ-PMACEKPBSA-N 1 0 364.497 2.853 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4ccccc4n3)cc2)CC1 ZINC001133123579 995332963 /nfs/dbraw/zinc/33/29/63/995332963.db2.gz RSKJPAILHMAIBV-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(O)c1O ZINC000803665861 1016041635 /nfs/dbraw/zinc/04/16/35/1016041635.db2.gz QQCIMJBUJPAKEU-UHFFFAOYSA-N 1 0 370.449 2.809 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COC3CCCC3)cc2F)CC1 ZINC000730193321 996958053 /nfs/dbraw/zinc/95/80/53/996958053.db2.gz FUWQRHUQRURIFY-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824550598 996986832 /nfs/dbraw/zinc/98/68/32/996986832.db2.gz DDVMKXLPPRCEML-MJGOQNOKSA-N 1 0 374.529 2.695 20 10 FFCDRO CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000824681773 997049894 /nfs/dbraw/zinc/04/98/94/997049894.db2.gz OTAWHENHAFRNLX-QZTJIDSGSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)C2)cc1 ZINC000824687134 997053163 /nfs/dbraw/zinc/05/31/63/997053163.db2.gz QDXBFHYOCPOUBQ-HLIPFELVSA-N 1 0 374.529 2.503 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC([NH2+]C(C)C)CC3)C2)cc1 ZINC000824692390 997056175 /nfs/dbraw/zinc/05/61/75/997056175.db2.gz CCOONOSQOVSQQH-QGZVFWFLSA-N 1 0 374.529 2.694 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000844181454 997698283 /nfs/dbraw/zinc/69/82/83/997698283.db2.gz QSJKBNJFDURYRE-UHFFFAOYSA-N 1 0 367.493 2.856 20 10 FFCDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c(C)n1-c1ccccn1 ZINC000844193381 997701066 /nfs/dbraw/zinc/70/10/66/997701066.db2.gz LMKDCERASIBQRN-MRXNPFEDSA-N 1 0 361.449 2.952 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000731449984 997912927 /nfs/dbraw/zinc/91/29/27/997912927.db2.gz MLDGFNXDYGWMKF-MRXNPFEDSA-N 1 0 365.477 2.893 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000844873891 998219124 /nfs/dbraw/zinc/21/91/24/998219124.db2.gz UHKKPRWRCATPOB-UHFFFAOYSA-N 1 0 374.872 2.904 20 10 FFCDRO O=c1n2ccccc2nn1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731845570 998271356 /nfs/dbraw/zinc/27/13/56/998271356.db2.gz DJZHZIHBDDNZOD-UHFFFAOYSA-N 1 0 352.438 2.646 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000845029311 998302952 /nfs/dbraw/zinc/30/29/52/998302952.db2.gz JIHRLUOVQGJNNT-INIZCTEOSA-N 1 0 364.534 2.749 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144307718 998303885 /nfs/dbraw/zinc/30/38/85/998303885.db2.gz GKVCKAVOFTTXOC-GFCCVEGCSA-N 1 0 359.239 2.737 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000732889255 998806247 /nfs/dbraw/zinc/80/62/47/998806247.db2.gz KXGHKHKADOJZKZ-GOSISDBHSA-N 1 0 363.502 2.815 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCC[NH+](C)C)cc1 ZINC000733893097 999120839 /nfs/dbraw/zinc/12/08/39/999120839.db2.gz XGGXDXFJYYWFBC-FQEVSTJZSA-N 1 0 361.530 2.992 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1O ZINC000734846318 999347902 /nfs/dbraw/zinc/34/79/02/999347902.db2.gz QUIYOYYDERKQIR-QFIPXVFZSA-N 1 0 370.493 2.908 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccc(=O)[nH]c2)cc1C ZINC001085412884 999478106 /nfs/dbraw/zinc/47/81/06/999478106.db2.gz SKIFQILTUOGLBC-QZTJIDSGSA-N 1 0 369.465 2.935 20 10 FFCDRO Cc1cc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000738159744 999621499 /nfs/dbraw/zinc/62/14/99/999621499.db2.gz BITJHJKBBQXHSX-UHFFFAOYSA-N 1 0 373.541 2.738 20 10 FFCDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)C1 ZINC000738208309 999622627 /nfs/dbraw/zinc/62/26/27/999622627.db2.gz LFKSVEMYJWENJU-SFHVURJKSA-N 1 0 361.530 2.607 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1F ZINC000740006817 999657066 /nfs/dbraw/zinc/65/70/66/999657066.db2.gz OGHPDAVSPMKAGL-CTNGQTDRSA-N 1 0 371.500 2.864 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000740005417 999657153 /nfs/dbraw/zinc/65/71/53/999657153.db2.gz BSGQZBXGEPRBSD-WOJBJXKFSA-N 1 0 370.493 2.764 20 10 FFCDRO CCc1cc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc(C)n1 ZINC000741746458 999739915 /nfs/dbraw/zinc/73/99/15/999739915.db2.gz KBZDFOMLMLBRMZ-UHFFFAOYSA-N 1 0 369.513 2.980 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnnn3-c3ccccc3)C2)cc1 ZINC000845986352 1000190532 /nfs/dbraw/zinc/19/05/32/1000190532.db2.gz ULUMSPFAQOFCGZ-KRWDZBQOSA-N 1 0 363.465 2.892 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)c1O ZINC000846153072 1000210449 /nfs/dbraw/zinc/21/04/49/1000210449.db2.gz FJJRGELNMVYLDS-DZGCQCFKSA-N 1 0 356.422 2.866 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000846170835 1000215999 /nfs/dbraw/zinc/21/59/99/1000215999.db2.gz CBYZDUQHFBLIMA-UHFFFAOYSA-N 1 0 368.481 2.576 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c1O ZINC000846147315 1000219402 /nfs/dbraw/zinc/21/94/02/1000219402.db2.gz VGQALANBVUZGJF-MJGOQNOKSA-N 1 0 370.493 2.995 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445898 1000250097 /nfs/dbraw/zinc/25/00/97/1000250097.db2.gz KDNVPKYNJZIWSZ-HRAATJIYSA-N 1 0 368.477 2.914 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](COCc3ccccc3)C1)[C@H](O)CO2 ZINC000768465598 1000263547 /nfs/dbraw/zinc/26/35/47/1000263547.db2.gz IUUPPICMSVMBBJ-OXJNMPFZSA-N 1 0 355.434 2.857 20 10 FFCDRO COC[C@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532073 1000287170 /nfs/dbraw/zinc/28/71/70/1000287170.db2.gz IKWNDYNLXLOHQT-QGZVFWFLSA-N 1 0 359.514 2.507 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000770382560 1000758789 /nfs/dbraw/zinc/75/87/89/1000758789.db2.gz UOKODFVVWKMXGT-OCCSQVGLSA-N 1 0 364.442 2.999 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NCC1CC[NH+](C2CC2)CC1 ZINC000770626686 1000867401 /nfs/dbraw/zinc/86/74/01/1000867401.db2.gz RGTXKXUJHRBYJL-UHFFFAOYSA-N 1 0 357.498 2.945 20 10 FFCDRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001148143565 1001042266 /nfs/dbraw/zinc/04/22/66/1001042266.db2.gz ZAKMYFURVCUGEQ-SFHVURJKSA-N 1 0 354.450 2.936 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2c[nH+]cn2c1 ZINC000786525152 1001597293 /nfs/dbraw/zinc/59/72/93/1001597293.db2.gz FNOZUKCSIROAMK-UHFFFAOYSA-N 1 0 373.796 2.509 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000772758242 1002431750 /nfs/dbraw/zinc/43/17/50/1002431750.db2.gz QMVSHFKUZWXUSZ-UHFFFAOYSA-N 1 0 367.493 2.987 20 10 FFCDRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccccc3O)cc2)C1=O ZINC000790612042 1002447089 /nfs/dbraw/zinc/44/70/89/1002447089.db2.gz ZZJMCTXGFFFKFA-OAQYLSRUSA-N 1 0 365.433 2.907 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000773083427 1002989904 /nfs/dbraw/zinc/98/99/04/1002989904.db2.gz ZVLJSCRKFQNGMQ-SFHVURJKSA-N 1 0 360.498 2.982 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(O)c1 ZINC000792759363 1003171833 /nfs/dbraw/zinc/17/18/33/1003171833.db2.gz CDLQGEVUEOYRAC-MRXNPFEDSA-N 1 0 359.426 2.630 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000793240682 1003317684 /nfs/dbraw/zinc/31/76/84/1003317684.db2.gz JQZVGJQNTUTPHW-KDURUIRLSA-N 1 0 368.477 2.973 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccc1C ZINC000747232551 1003956115 /nfs/dbraw/zinc/95/61/15/1003956115.db2.gz YBYGTKMZVSQJHE-RBUKOAKNSA-N 1 0 367.493 2.996 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000775827302 1004528219 /nfs/dbraw/zinc/52/82/19/1004528219.db2.gz KCXXAPHPWGVREY-CQSZACIVSA-N 1 0 356.426 2.974 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000775833433 1004546159 /nfs/dbraw/zinc/54/61/59/1004546159.db2.gz IVXFRUMTWWURJE-GFCCVEGCSA-N 1 0 353.426 2.624 20 10 FFCDRO C[NH+]1CCN(c2cccc(NC(=S)Nc3ccc4c(c3)OCO4)c2)CC1 ZINC001198283668 1004558589 /nfs/dbraw/zinc/55/85/89/1004558589.db2.gz LIPHUOYPRFMQLM-UHFFFAOYSA-N 1 0 370.478 2.976 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833980 1004571609 /nfs/dbraw/zinc/57/16/09/1004571609.db2.gz NPCDBRQBTBBLSC-OXQOHEQNSA-N 1 0 358.482 2.990 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]2CCCO[C@H]21 ZINC000776156749 1005201542 /nfs/dbraw/zinc/20/15/42/1005201542.db2.gz MKAYMXGNNFIMHZ-MTFMMBMASA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000776160784 1005205280 /nfs/dbraw/zinc/20/52/80/1005205280.db2.gz RDIAXAAUHNELCJ-NJDAHSKKSA-N 1 0 373.541 2.610 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1Cn1cccn1 ZINC001202011122 1005295351 /nfs/dbraw/zinc/29/53/51/1005295351.db2.gz UVRVFQREKCWSMG-NRFANRHFSA-N 1 0 365.477 2.942 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000109032129 1005774915 /nfs/dbraw/zinc/77/49/15/1005774915.db2.gz UEBONXKPLDVGBS-INIZCTEOSA-N 1 0 362.493 2.955 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2F)C[C@@H](C)O1 ZINC000850034892 1005780171 /nfs/dbraw/zinc/78/01/71/1005780171.db2.gz SXBGPDVYQNCEID-HUUCEWRRSA-N 1 0 358.461 2.872 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000850406597 1005813729 /nfs/dbraw/zinc/81/37/29/1005813729.db2.gz MTCJHKIXMSXWBM-RIFZZMRRSA-N 1 0 360.498 2.715 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000850489217 1005818590 /nfs/dbraw/zinc/81/85/90/1005818590.db2.gz SAFDPFSGKLEQBD-FQEVSTJZSA-N 1 0 366.509 2.923 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000850488874 1005818597 /nfs/dbraw/zinc/81/85/97/1005818597.db2.gz VMVZNIKKROBRBK-NQIIRXRSSA-N 1 0 359.514 2.507 20 10 FFCDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000850568308 1005822903 /nfs/dbraw/zinc/82/29/03/1005822903.db2.gz VFOFKSJIPSBRSG-GOSISDBHSA-N 1 0 368.477 2.750 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@H]2[C@@H]3COC[C@H]23)C1 ZINC000851486772 1005891353 /nfs/dbraw/zinc/89/13/53/1005891353.db2.gz FMIQRXREKGOEQZ-BWTSREIZSA-N 1 0 368.477 2.843 20 10 FFCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852137978 1005944619 /nfs/dbraw/zinc/94/46/19/1005944619.db2.gz CKRSAXQIEJEUHO-GOSISDBHSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000852386278 1006001419 /nfs/dbraw/zinc/00/14/19/1006001419.db2.gz ATQXVCAOGGHZMV-IRXDYDNUSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000852455236 1006035751 /nfs/dbraw/zinc/03/57/51/1006035751.db2.gz SZEBDYJSJSYVJA-HKUYNNGSSA-N 1 0 372.513 2.544 20 10 FFCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000813856919 1006057639 /nfs/dbraw/zinc/05/76/39/1006057639.db2.gz DTQMUKFBDFTNRW-CJNGLKHVSA-N 1 0 367.440 2.904 20 10 FFCDRO CC[C@H](NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000852596396 1006096268 /nfs/dbraw/zinc/09/62/68/1006096268.db2.gz LNSYBBZLNWBWGD-FQEVSTJZSA-N 1 0 374.529 2.695 20 10 FFCDRO COCc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881848932 1006241534 /nfs/dbraw/zinc/24/15/34/1006241534.db2.gz FRIDXCSKGXWLPG-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000881849567 1006241640 /nfs/dbraw/zinc/24/16/40/1006241640.db2.gz RCTBJSRWHJVILY-UHFFFAOYSA-N 1 0 357.429 2.516 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)[C@@H]3CCCCO3)cc2)CC1 ZINC000881854318 1006243271 /nfs/dbraw/zinc/24/32/71/1006243271.db2.gz BFPJLMKTMUJORC-IBGZPJMESA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CC4CCC3CC4)CC2)cc1 ZINC000814651343 1006379461 /nfs/dbraw/zinc/37/94/61/1006379461.db2.gz FXIMLXVBHQGWOX-LBXVMSDZSA-N 1 0 357.498 2.512 20 10 FFCDRO C[C@H]1CCCc2ncc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)n21 ZINC001134686280 1006437033 /nfs/dbraw/zinc/43/70/33/1006437033.db2.gz GIQZQUXEUDOVNJ-YJBOKZPZSA-N 1 0 369.513 2.879 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@H]1c1ccco1)[C@H](O)CO2 ZINC000853549805 1006440646 /nfs/dbraw/zinc/44/06/46/1006440646.db2.gz ITOALYKQIDSPSE-VQIMIIECSA-N 1 0 357.406 2.765 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000853560385 1006443866 /nfs/dbraw/zinc/44/38/66/1006443866.db2.gz OUIGXRJKNJFNGB-RXVVDRJESA-N 1 0 368.477 2.567 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883290145 1006736456 /nfs/dbraw/zinc/73/64/56/1006736456.db2.gz LQWSDECIWCVHEJ-OAHLLOKOSA-N 1 0 370.453 2.903 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCCC34CC[NH+](C)CC4)C2)cc1 ZINC000854299845 1006766245 /nfs/dbraw/zinc/76/62/45/1006766245.db2.gz SGRLBFBYTFUPBX-KRWDZBQOSA-N 1 0 372.513 2.544 20 10 FFCDRO O=C(CCc1cncnc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835362 1006801818 /nfs/dbraw/zinc/80/18/18/1006801818.db2.gz QMWFHBNNLGLZGY-QGZVFWFLSA-N 1 0 374.872 2.549 20 10 FFCDRO Cc1cc(CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccccc1 ZINC000854742531 1006970037 /nfs/dbraw/zinc/97/00/37/1006970037.db2.gz DYTAOPJGIPRJIP-FQEVSTJZSA-N 1 0 369.509 2.600 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775253812 1007095888 /nfs/dbraw/zinc/09/58/88/1007095888.db2.gz GDMLDTNWAWUWEV-APWZRJJASA-N 1 0 374.456 2.753 20 10 FFCDRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000775256929 1007112275 /nfs/dbraw/zinc/11/22/75/1007112275.db2.gz AHMDSBWOUDHYPD-QGZVFWFLSA-N 1 0 359.514 2.821 20 10 FFCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000816637534 1007142490 /nfs/dbraw/zinc/14/24/90/1007142490.db2.gz HDJLIVXUBKUIKQ-HXUWFJFHSA-N 1 0 355.482 2.768 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001135800238 1007364689 /nfs/dbraw/zinc/36/46/89/1007364689.db2.gz BNCIGNWKFFKJSR-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000775368814 1007510281 /nfs/dbraw/zinc/51/02/81/1007510281.db2.gz GMNUMKIYYMREJC-VXGBXAGGSA-N 1 0 358.394 2.807 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000817938335 1007816081 /nfs/dbraw/zinc/81/60/81/1007816081.db2.gz JDMBSNDSWSWAFC-VGOFRKELSA-N 1 0 368.525 2.940 20 10 FFCDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938568 1007816909 /nfs/dbraw/zinc/81/69/09/1007816909.db2.gz NJFXKAQPJDRUOX-JXFKEZNVSA-N 1 0 354.498 2.784 20 10 FFCDRO C[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817940510 1007818234 /nfs/dbraw/zinc/81/82/34/1007818234.db2.gz NPVQNSBEFYNBER-KRWDZBQOSA-N 1 0 372.488 2.888 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000817984137 1007836718 /nfs/dbraw/zinc/83/67/18/1007836718.db2.gz NYMZSVNZRPGQDG-SFHSBBOOSA-N 1 0 358.482 2.983 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccccc3-n3cncn3)C2)cc1 ZINC000818222347 1007887859 /nfs/dbraw/zinc/88/78/59/1007887859.db2.gz XQRCTDDQNSMRCG-QGZVFWFLSA-N 1 0 363.465 2.892 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000818271248 1007908193 /nfs/dbraw/zinc/90/81/93/1007908193.db2.gz BTMFYWNEEKESIC-FXAWDEMLSA-N 1 0 359.514 2.935 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]cc(C)c3C)CC2)cc1 ZINC001191159730 1007909034 /nfs/dbraw/zinc/90/90/34/1007909034.db2.gz HDXBPPNOUWSSFL-UHFFFAOYSA-N 1 0 370.497 2.582 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000114598200 1007970809 /nfs/dbraw/zinc/97/08/09/1007970809.db2.gz CRCZZJICJFUCGB-OAHLLOKOSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954143 1007991863 /nfs/dbraw/zinc/99/18/63/1007991863.db2.gz QWSMDDNTNVMVHR-NRFANRHFSA-N 1 0 370.493 2.963 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1F ZINC000819121119 1008048948 /nfs/dbraw/zinc/04/89/48/1008048948.db2.gz HALTUEHBXIHOJY-FQEVSTJZSA-N 1 0 362.420 2.749 20 10 FFCDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164865 1008053353 /nfs/dbraw/zinc/05/33/53/1008053353.db2.gz MYUWTWYPELCZRE-IAGOWNOFSA-N 1 0 373.497 2.915 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000819381601 1008128747 /nfs/dbraw/zinc/12/87/47/1008128747.db2.gz ZUCAYQMVSNFANF-PZJWPPBQSA-N 1 0 370.493 2.689 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cccs3)CC2)cc1 ZINC000011853409 1008180893 /nfs/dbraw/zinc/18/08/93/1008180893.db2.gz URTDOOXVBIULRE-UHFFFAOYSA-N 1 0 373.522 2.628 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000858193924 1008321441 /nfs/dbraw/zinc/32/14/41/1008321441.db2.gz OSXZFXUMQNJBAO-UHFFFAOYSA-N 1 0 371.481 2.683 20 10 FFCDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001136429342 1008427958 /nfs/dbraw/zinc/42/79/58/1008427958.db2.gz GTJDPMUOUPRFNL-UHFFFAOYSA-N 1 0 356.466 2.663 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858871969 1008443597 /nfs/dbraw/zinc/44/35/97/1008443597.db2.gz OCFQBZWNRNBLGT-IBGZPJMESA-N 1 0 374.529 2.790 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858871971 1008443684 /nfs/dbraw/zinc/44/36/84/1008443684.db2.gz OCFQBZWNRNBLGT-LJQANCHMSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000773624907 1008521020 /nfs/dbraw/zinc/52/10/20/1008521020.db2.gz LPIDSQNQJLYEGQ-UZLBHIALSA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000886149392 1008588185 /nfs/dbraw/zinc/58/81/85/1008588185.db2.gz MWBNWUMITDDRJE-QZTJIDSGSA-N 1 0 360.498 2.839 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822593117 1008706266 /nfs/dbraw/zinc/70/62/66/1008706266.db2.gz RQCHJQOEIOXZIU-KRWDZBQOSA-N 1 0 362.518 2.553 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000886509009 1008708497 /nfs/dbraw/zinc/70/84/97/1008708497.db2.gz XHVUAGQTLATWCW-YLJYHZDGSA-N 1 0 369.513 2.609 20 10 FFCDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177707083 1008721285 /nfs/dbraw/zinc/72/12/85/1008721285.db2.gz GEQMLSDOADBQMN-CYBMUJFWSA-N 1 0 363.399 2.635 20 10 FFCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206566587 1032345648 /nfs/dbraw/zinc/34/56/48/1032345648.db2.gz IFUVEYYKIVEWQT-HNNXBMFYSA-N 1 0 364.453 2.954 20 10 FFCDRO CCCCC[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000823162292 1008952890 /nfs/dbraw/zinc/95/28/90/1008952890.db2.gz SGCZXYJZNDSYLX-LJQANCHMSA-N 1 0 365.493 2.525 20 10 FFCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001179117136 1009265609 /nfs/dbraw/zinc/26/56/09/1009265609.db2.gz YEZYYMWASKGQOI-FUHWJXTLSA-N 1 0 350.528 2.980 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cs2)cc1 ZINC000825558291 1009275325 /nfs/dbraw/zinc/27/53/25/1009275325.db2.gz FZKVJIWRDGDPRF-NVXWUHKLSA-N 1 0 370.522 2.920 20 10 FFCDRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000773812438 1009297375 /nfs/dbraw/zinc/29/73/75/1009297375.db2.gz QVXJFMJVYISMJA-HNNXBMFYSA-N 1 0 355.438 2.556 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000861228271 1009307316 /nfs/dbraw/zinc/30/73/16/1009307316.db2.gz DDRGCENILULPJP-UHFFFAOYSA-N 1 0 351.450 2.827 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001180129751 1009557294 /nfs/dbraw/zinc/55/72/94/1009557294.db2.gz FWYDALFARRQJQD-VMPITWQZSA-N 1 0 350.466 2.946 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000862169738 1009729646 /nfs/dbraw/zinc/72/96/46/1009729646.db2.gz AMSYSVLSYHHJGP-HNNXBMFYSA-N 1 0 355.482 2.906 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862278720 1009781483 /nfs/dbraw/zinc/78/14/83/1009781483.db2.gz JOSVUNKENZNNEL-GUYCJALGSA-N 1 0 366.458 2.515 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3Cc4ccccc4C3)cc2)CC1 ZINC000889669598 1010048481 /nfs/dbraw/zinc/04/84/81/1010048481.db2.gz OFWBKJONGQMHFT-UHFFFAOYSA-N 1 0 350.466 2.664 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCOc3ccccc32)c1 ZINC000794562401 1010334176 /nfs/dbraw/zinc/33/41/76/1010334176.db2.gz OMNBUACJQPVNMI-AWEZNQCLSA-N 1 0 356.422 2.867 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204335836 1010528403 /nfs/dbraw/zinc/52/84/03/1010528403.db2.gz AABMMIJGNHMYJW-GHMZBOCLSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccnnc3C)C[C@H]2C)cc1C ZINC001093894872 1010695409 /nfs/dbraw/zinc/69/54/09/1010695409.db2.gz YJBUVOVHVLNTEO-CRAIPNDOSA-N 1 0 368.481 2.600 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865331732 1010765501 /nfs/dbraw/zinc/76/55/01/1010765501.db2.gz AHAJJRWUWSNYCN-GOSISDBHSA-N 1 0 371.481 2.954 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCc3cn[nH]c3)C[C@H]2C)cc1C ZINC001094099441 1010858957 /nfs/dbraw/zinc/85/89/57/1010858957.db2.gz CWKFSOPOTRLZBW-VQIMIIECSA-N 1 0 370.497 2.544 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc(F)c1N1CCOCC1 ZINC000866369846 1010984702 /nfs/dbraw/zinc/98/47/02/1010984702.db2.gz OXGKFWMICMADRC-KYNGSXCRSA-N 1 0 364.436 2.849 20 10 FFCDRO C[NH+](C)C1(C)CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000868130500 1011177837 /nfs/dbraw/zinc/17/78/37/1011177837.db2.gz OGFXEGHTZNEWOW-UHFFFAOYSA-N 1 0 374.529 2.585 20 10 FFCDRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773306284 1011316267 /nfs/dbraw/zinc/31/62/67/1011316267.db2.gz JPDRTANOWWPFOA-MRXNPFEDSA-N 1 0 362.518 2.614 20 10 FFCDRO COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001172632138 1011905640 /nfs/dbraw/zinc/90/56/40/1011905640.db2.gz HWBXIHUQHFNUBC-HZPDHXFCSA-N 1 0 362.470 2.558 20 10 FFCDRO O=C1N(CC2CCOCC2)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275231601 1012112703 /nfs/dbraw/zinc/11/27/03/1012112703.db2.gz CWVYKQZWHSOBBA-UHFFFAOYSA-N 1 0 358.482 2.633 20 10 FFCDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(O)c(O)c1 ZINC001172911583 1012122317 /nfs/dbraw/zinc/12/23/17/1012122317.db2.gz JZQIWGIQKYWJGN-HNNXBMFYSA-N 1 0 356.378 2.726 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1O ZINC001275241804 1012128923 /nfs/dbraw/zinc/12/89/23/1012128923.db2.gz MVPKBBZYGNPJJQ-CYBMUJFWSA-N 1 0 372.387 2.681 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275239332 1012131270 /nfs/dbraw/zinc/13/12/70/1012131270.db2.gz WYYUUDOIUINXEP-IERDGZPVSA-N 1 0 358.482 2.883 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)c1 ZINC001275254265 1012155136 /nfs/dbraw/zinc/15/51/36/1012155136.db2.gz NFTANVYJCZXWLS-AWEZNQCLSA-N 1 0 372.387 2.681 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cnoc2)cc1 ZINC001275340183 1012334602 /nfs/dbraw/zinc/33/46/02/1012334602.db2.gz HOPMXGCIKXVTEO-RTBURBONSA-N 1 0 354.454 2.506 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cncs2)cc1 ZINC001275383909 1012401507 /nfs/dbraw/zinc/40/15/07/1012401507.db2.gz VLRWKBDHKZSBOZ-RTBURBONSA-N 1 0 370.522 2.975 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3cnoc3)CC2)c(O)c1 ZINC001275387234 1012401539 /nfs/dbraw/zinc/40/15/39/1012401539.db2.gz AVZMRVKYHOZBLD-QGZVFWFLSA-N 1 0 355.438 2.607 20 10 FFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(OC)cc1OC ZINC001275436794 1012461694 /nfs/dbraw/zinc/46/16/94/1012461694.db2.gz QMICVNAXOBDIKA-IAOVAPTHSA-N 1 0 362.470 2.773 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CC4(C3)CO[C@@H](C)C4)CC2)cc1 ZINC000924579588 1017361531 /nfs/dbraw/zinc/36/15/31/1017361531.db2.gz LJSJDYNRNKPLRJ-PGFLUOATSA-N 1 0 373.541 2.755 20 10 FFCDRO C[NH+](C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1cccc(F)c1 ZINC000925279935 1017690403 /nfs/dbraw/zinc/69/04/03/1017690403.db2.gz ZFQSBPXALRIOIU-QGZVFWFLSA-N 1 0 371.412 2.598 20 10 FFCDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827365996 1017782649 /nfs/dbraw/zinc/78/26/49/1017782649.db2.gz XDIBQOUOXIBYOS-SFHVURJKSA-N 1 0 363.477 2.576 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000748961928 1017871146 /nfs/dbraw/zinc/87/11/46/1017871146.db2.gz SPSJJVREVOGFSL-PXNSSMCTSA-N 1 0 374.529 2.537 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000925853001 1017874995 /nfs/dbraw/zinc/87/49/95/1017874995.db2.gz XNHGHNCZFOKNBR-VXGBXAGGSA-N 1 0 372.387 2.747 20 10 FFCDRO Cc1cc(C(=O)CN2CCC([NH+](C)C)CC2)c(C)n1-c1ccc(F)cn1 ZINC000827406917 1017937229 /nfs/dbraw/zinc/93/72/29/1017937229.db2.gz UIFVKPOZSPKMTG-UHFFFAOYSA-N 1 0 358.461 2.837 20 10 FFCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001222081680 1032743965 /nfs/dbraw/zinc/74/39/65/1032743965.db2.gz ZMSOQJGYRKFLRP-SFHVURJKSA-N 1 0 358.413 2.535 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000926874200 1018276269 /nfs/dbraw/zinc/27/62/69/1018276269.db2.gz QOTYVBBHEMHDOO-PZJWPPBQSA-N 1 0 371.525 2.683 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000749130838 1018352443 /nfs/dbraw/zinc/35/24/43/1018352443.db2.gz BRYXCWDBDNGLMM-MRXNPFEDSA-N 1 0 374.506 2.781 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)nn1 ZINC000827800741 1018703037 /nfs/dbraw/zinc/70/30/37/1018703037.db2.gz ZJKICMGJPHUVPN-UHFFFAOYSA-N 1 0 355.486 2.572 20 10 FFCDRO C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1O ZINC000827937143 1019052046 /nfs/dbraw/zinc/05/20/46/1019052046.db2.gz LYIQJVBHEVNNHJ-MRXNPFEDSA-N 1 0 353.466 2.631 20 10 FFCDRO COc1cc(CN2CCC[C@@]23CCC[NH2+]C3)c(O)cc1Br ZINC001222253563 1032849798 /nfs/dbraw/zinc/84/97/98/1032849798.db2.gz QEHXRJOXGQFIJI-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000390919370 1019905102 /nfs/dbraw/zinc/90/51/02/1019905102.db2.gz WCKFFHYMNZRCGY-KRWDZBQOSA-N 1 0 357.473 3.000 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)c1 ZINC000930216518 1019927128 /nfs/dbraw/zinc/92/71/28/1019927128.db2.gz JQURSOKANGXCOD-UKRRQHHQSA-N 1 0 356.422 2.973 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000930292011 1019967313 /nfs/dbraw/zinc/96/73/13/1019967313.db2.gz ZZWQEYZGFSEZPZ-FQEVSTJZSA-N 1 0 353.466 2.572 20 10 FFCDRO CC[C@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CC1 ZINC000900184446 1020247506 /nfs/dbraw/zinc/24/75/06/1020247506.db2.gz CNTDRMZSBMYGLC-ZWKOTPCHSA-N 1 0 358.486 2.561 20 10 FFCDRO CC[C@@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CC1 ZINC000900184444 1020247630 /nfs/dbraw/zinc/24/76/30/1020247630.db2.gz CNTDRMZSBMYGLC-QZTJIDSGSA-N 1 0 358.486 2.561 20 10 FFCDRO CCc1oc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C(=O)OC ZINC000802644844 1020292520 /nfs/dbraw/zinc/29/25/20/1020292520.db2.gz NHJWOZUGWFLZMZ-UHFFFAOYSA-N 1 0 358.438 2.755 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)C1 ZINC000800476544 1020345101 /nfs/dbraw/zinc/34/51/01/1020345101.db2.gz KQYGYSGGXOYSNW-UYAOXDASSA-N 1 0 371.525 2.827 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000726275790 1020450623 /nfs/dbraw/zinc/45/06/23/1020450623.db2.gz ZFOQARAZBUDUAO-UHFFFAOYSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cc1 ZINC000900509361 1020459821 /nfs/dbraw/zinc/45/98/21/1020459821.db2.gz UKOUYOUNOJUNEI-UYAOXDASSA-N 1 0 357.498 2.797 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000726709123 1020511686 /nfs/dbraw/zinc/51/16/86/1020511686.db2.gz QWQOJLMYJAQRLX-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1CN1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222365814 1032916576 /nfs/dbraw/zinc/91/65/76/1032916576.db2.gz CKWWJZBZILRLOJ-JOCHJYFZSA-N 1 0 368.477 2.926 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1CN1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222367103 1032918086 /nfs/dbraw/zinc/91/80/86/1032918086.db2.gz JLNLQGLHJSLGSQ-QFIPXVFZSA-N 1 0 368.477 2.926 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CCC[NH2+]C[C@H]3F)ccc(O)c21 ZINC001217951544 1032915536 /nfs/dbraw/zinc/91/55/36/1032915536.db2.gz SIHDQMFTZJPQJO-HIFRSBDPSA-N 1 0 355.365 2.637 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+]CC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217961029 1032920134 /nfs/dbraw/zinc/92/01/34/1032920134.db2.gz WFEDXNAWWVOCCJ-HOCLYGCPSA-N 1 0 355.365 2.555 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001217988473 1032935726 /nfs/dbraw/zinc/93/57/26/1032935726.db2.gz OITOQVDTCADTLJ-WBMJQRKESA-N 1 0 351.402 2.935 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC([C@@H]4COC(=O)N4)CC3)cc2)CC1 ZINC000932770899 1020896263 /nfs/dbraw/zinc/89/62/63/1020896263.db2.gz OPCZORLPQKBTBD-FQEVSTJZSA-N 1 0 373.497 2.622 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CCC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001217997802 1032939210 /nfs/dbraw/zinc/93/92/10/1032939210.db2.gz XFSLLNFPURNOSU-ZDUSSCGKSA-N 1 0 351.402 2.997 20 10 FFCDRO C[C@H](Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O)C1CC[NH2+]CC1 ZINC001218002730 1032945467 /nfs/dbraw/zinc/94/54/67/1032945467.db2.gz KGOOJLROTDLMRX-LBPRGKRZSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)n1-c1ccc(F)cn1 ZINC000933734117 1021081259 /nfs/dbraw/zinc/08/12/59/1021081259.db2.gz OUQMYDRQNMVPDD-IERDGZPVSA-N 1 0 370.472 2.694 20 10 FFCDRO COC(=O)C1=C(C)O[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000778219532 1021136108 /nfs/dbraw/zinc/13/61/08/1021136108.db2.gz HLMYHSUYMAQFBY-IRXDYDNUSA-N 1 0 361.438 2.609 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218024810 1032960688 /nfs/dbraw/zinc/96/06/88/1032960688.db2.gz BWTIUXVMLYIJMK-BLLLJJGKSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001116584521 1021295249 /nfs/dbraw/zinc/29/52/49/1021295249.db2.gz HJOTXWZIYPPAQA-HOCLYGCPSA-N 1 0 360.479 2.817 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001116589230 1021297565 /nfs/dbraw/zinc/29/75/65/1021297565.db2.gz RRYZILHWHTXMRW-VRKREXBASA-N 1 0 354.454 2.766 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(O)c(C(C)(C)C)c1 ZINC001118565765 1022292261 /nfs/dbraw/zinc/29/22/61/1022292261.db2.gz UGABWRILVNBENB-OAHLLOKOSA-N 1 0 358.486 2.800 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000159690245 1022764470 /nfs/dbraw/zinc/76/44/70/1022764470.db2.gz AXMUOCABNYMOEU-KXBFYZLASA-N 1 0 369.465 2.721 20 10 FFCDRO CC(C)OCC[N@@H+]1CCC[C@@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001276780701 1033093904 /nfs/dbraw/zinc/09/39/04/1033093904.db2.gz BLYPPRBQDPSCPJ-NRFANRHFSA-N 1 0 359.514 2.745 20 10 FFCDRO [NH3+]C1(CC(=O)NCc2c(O)cccc2F)CCN(Cc2ccccc2)CC1 ZINC001122257975 1023151273 /nfs/dbraw/zinc/15/12/73/1023151273.db2.gz GWTWTBCICNXTDM-UHFFFAOYSA-N 1 0 371.456 2.531 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)cc1F ZINC000753737235 1023373836 /nfs/dbraw/zinc/37/38/36/1023373836.db2.gz DADLAEQJLICVEQ-UHFFFAOYSA-N 1 0 363.477 2.749 20 10 FFCDRO CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000779225749 1023387544 /nfs/dbraw/zinc/38/75/44/1023387544.db2.gz WBKOXOHPAPSUBP-QFIPXVFZSA-N 1 0 370.493 2.860 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000754107825 1023426446 /nfs/dbraw/zinc/42/64/46/1023426446.db2.gz VVGSQPNFDIBOES-GHTZIAJQSA-N 1 0 369.509 2.529 20 10 FFCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000077412521 1023603998 /nfs/dbraw/zinc/60/39/98/1023603998.db2.gz KFUCIZQVZASFFD-SFHVURJKSA-N 1 0 354.450 2.625 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1 ZINC000756149063 1023673392 /nfs/dbraw/zinc/67/33/92/1023673392.db2.gz HVLWACCIXQNSFM-MRXNPFEDSA-N 1 0 362.376 2.964 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(O)c1 ZINC000756457555 1023713399 /nfs/dbraw/zinc/71/33/99/1023713399.db2.gz RPYYRMZCJVTZJT-GDBMZVCRSA-N 1 0 370.449 2.676 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000756526044 1023723163 /nfs/dbraw/zinc/72/31/63/1023723163.db2.gz RTIIAZSIIBFSHA-XCLFUZPHSA-N 1 0 353.422 2.606 20 10 FFCDRO COc1c(C)c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc2c1C(=O)c1ccccc1C2=O ZINC001218445672 1033159106 /nfs/dbraw/zinc/15/91/06/1033159106.db2.gz YNQCWDAQYXBNPI-DTJNWYTMSA-N 1 0 363.413 2.908 20 10 FFCDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779503694 1023944548 /nfs/dbraw/zinc/94/45/48/1023944548.db2.gz SWPDNCXOSVQEMF-ONNFQVAWSA-N 1 0 369.421 2.640 20 10 FFCDRO COC1CC[NH+](C2(CNC(=O)/C=C\c3ccc(O)c(O)c3)CCCC2)CC1 ZINC000779515548 1023948553 /nfs/dbraw/zinc/94/85/53/1023948553.db2.gz UKKRKXSVQAWLDI-ALCCZGGFSA-N 1 0 374.481 2.651 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139669813 1024355565 /nfs/dbraw/zinc/35/55/65/1024355565.db2.gz OYBBNMSCBRUZPT-IAGOWNOFSA-N 1 0 363.502 2.521 20 10 FFCDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(CC)CC ZINC000759442081 1024610255 /nfs/dbraw/zinc/61/02/55/1024610255.db2.gz YAGAUQFZLKGRLS-MOPGFXCFSA-N 1 0 361.530 2.942 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccco3)ccc21 ZINC000088538087 1025420039 /nfs/dbraw/zinc/42/00/39/1025420039.db2.gz XNGKHNZCXWECQK-UHFFFAOYSA-N 1 0 370.497 2.935 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001141162885 1025546555 /nfs/dbraw/zinc/54/65/55/1025546555.db2.gz JGFZVMFXQNJADD-GFCCVEGCSA-N 1 0 355.316 2.560 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2C)cc1 ZINC000837306622 1025714718 /nfs/dbraw/zinc/71/47/18/1025714718.db2.gz PBODASDFALDWFO-IRXDYDNUSA-N 1 0 353.466 2.784 20 10 FFCDRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCOCC2)cc1 ZINC000837883472 1026084203 /nfs/dbraw/zinc/08/42/03/1026084203.db2.gz YYGZVUMKSZXVOS-SHFXZJCHSA-N 1 0 372.513 2.509 20 10 FFCDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000838910976 1026534880 /nfs/dbraw/zinc/53/48/80/1026534880.db2.gz HQYKMYWPZQRVNK-UHFFFAOYSA-N 1 0 362.514 2.964 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)CC1 ZINC000838912765 1026535404 /nfs/dbraw/zinc/53/54/04/1026535404.db2.gz NZDLVNVNQSARPD-UHFFFAOYSA-N 1 0 352.482 2.853 20 10 FFCDRO COCc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000838982991 1026558484 /nfs/dbraw/zinc/55/84/84/1026558484.db2.gz WCJMTTPKAHGUSR-UHFFFAOYSA-N 1 0 370.497 2.643 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000840128814 1026971029 /nfs/dbraw/zinc/97/10/29/1026971029.db2.gz VCMUWZZOHVIFTG-TZMCWYRMSA-N 1 0 372.387 2.552 20 10 FFCDRO O=C(N1C[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)CC[C@@H]2C1)C(F)(F)F ZINC000840128800 1026971331 /nfs/dbraw/zinc/97/13/31/1026971331.db2.gz VAEBDTRIMZEAPW-ZBFHGGJFSA-N 1 0 368.399 2.724 20 10 FFCDRO CN(CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C(=O)OC(C)(C)C ZINC000840184121 1027001514 /nfs/dbraw/zinc/00/15/14/1027001514.db2.gz YMTZCZWISXVHCV-MRXNPFEDSA-N 1 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C[C@H](NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000781372543 1029175972 /nfs/dbraw/zinc/17/59/72/1029175972.db2.gz OCOFUYYBHMLLPZ-IRXDYDNUSA-N 1 0 372.513 2.534 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc4n[nH]nc43)CC2)cc1 ZINC001164333725 1029249801 /nfs/dbraw/zinc/24/98/01/1029249801.db2.gz DMYAGKXACKNRSU-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cncc(N4CCCCC4)n3)cc2)CC1 ZINC001156658002 1029293293 /nfs/dbraw/zinc/29/32/93/1029293293.db2.gz QLCINEFQVQAYMI-UHFFFAOYSA-N 1 0 366.513 2.831 20 10 FFCDRO CCOC(=O)c1c(C)ccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156658061 1029293716 /nfs/dbraw/zinc/29/37/16/1029293716.db2.gz RNYSKDGLCINXFX-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000840952483 1029940331 /nfs/dbraw/zinc/94/03/31/1029940331.db2.gz AVZMDQDOMVHUGW-UHFFFAOYSA-N 1 0 357.498 2.988 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000840951527 1029940851 /nfs/dbraw/zinc/94/08/51/1029940851.db2.gz YFTJSEOANPDJKX-JKSUJKDBSA-N 1 0 369.431 2.904 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000841041705 1029996064 /nfs/dbraw/zinc/99/60/64/1029996064.db2.gz AMKMROXPFZFPFP-NRFANRHFSA-N 1 0 367.472 2.926 20 10 FFCDRO COc1ccccc1-n1nccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041316 1029996464 /nfs/dbraw/zinc/99/64/64/1029996464.db2.gz FFRUAPVXFJNPCR-LJQANCHMSA-N 1 0 365.481 2.737 20 10 FFCDRO CC(C)COC(=O)N1CCC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841044614 1029997493 /nfs/dbraw/zinc/99/74/93/1029997493.db2.gz DRGAWDHIEMUOLA-IBGZPJMESA-N 1 0 362.518 2.599 20 10 FFCDRO Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044058 1029999547 /nfs/dbraw/zinc/99/95/47/1029999547.db2.gz UQZYRYRJDYHAIK-FQEVSTJZSA-N 1 0 364.497 2.740 20 10 FFCDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045391 1030000167 /nfs/dbraw/zinc/00/01/67/1030000167.db2.gz KQNWGJSRQGGADX-LIRRHRJNSA-N 1 0 358.461 2.898 20 10 FFCDRO CO[C@@H](CC(C)C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841166035 1030083507 /nfs/dbraw/zinc/08/35/07/1030083507.db2.gz JLJXZHBUDKFKHK-NRFANRHFSA-N 1 0 373.541 2.896 20 10 FFCDRO C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)c1ccc(N2CCOCC2)cc1 ZINC000841304089 1030174353 /nfs/dbraw/zinc/17/43/53/1030174353.db2.gz IIWFBMALJQPBHJ-HNNXBMFYSA-N 1 0 354.454 2.865 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000841321340 1030194954 /nfs/dbraw/zinc/19/49/54/1030194954.db2.gz GJOBWELRMXRLHM-UHFFFAOYSA-N 1 0 365.481 2.990 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000841793551 1030469670 /nfs/dbraw/zinc/46/96/70/1030469670.db2.gz NBJYSCPKABSUON-AZUAARDMSA-N 1 0 356.514 2.816 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000841855971 1030505182 /nfs/dbraw/zinc/50/51/82/1030505182.db2.gz KPPRWKULUJUJSP-CRAIPNDOSA-N 1 0 370.522 2.920 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841940787 1030555469 /nfs/dbraw/zinc/55/54/69/1030555469.db2.gz UQHZGONFOVKZKE-HXUWFJFHSA-N 1 0 374.529 2.825 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001142517218 1030567374 /nfs/dbraw/zinc/56/73/74/1030567374.db2.gz FORXLNIIGAHBLS-CHWSQXEVSA-N 1 0 351.422 2.691 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841998239 1030573942 /nfs/dbraw/zinc/57/39/42/1030573942.db2.gz QMWQLUWWQDUHRJ-HXUWFJFHSA-N 1 0 365.477 2.957 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699642178 1030700145 /nfs/dbraw/zinc/70/01/45/1030700145.db2.gz XGCSBYWXGDUBOU-CRAIPNDOSA-N 1 0 363.502 2.867 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203550479 1030758427 /nfs/dbraw/zinc/75/84/27/1030758427.db2.gz VSRACKRQABQGIQ-FQEVSTJZSA-N 1 0 362.470 2.994 20 10 FFCDRO CCOC[C@@H]1CN(Cc2cccc(OC)c2O)Cc2nnn(CC3CC3)c21 ZINC001203590036 1030772688 /nfs/dbraw/zinc/77/26/88/1030772688.db2.gz RMJYBYUIMYFBNI-INIZCTEOSA-N 1 0 372.469 2.538 20 10 FFCDRO COc1cccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c1O ZINC001203594229 1030778792 /nfs/dbraw/zinc/77/87/92/1030778792.db2.gz VMZZSWZVVZZPBZ-UHFFFAOYSA-N 1 0 354.450 2.573 20 10 FFCDRO COc1cccc(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)c1O ZINC001203595455 1030779227 /nfs/dbraw/zinc/77/92/27/1030779227.db2.gz BAHZLFZQFSUBPX-UHFFFAOYSA-N 1 0 367.449 2.891 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1O ZINC001203608354 1030782593 /nfs/dbraw/zinc/78/25/93/1030782593.db2.gz MUEPTUNCOZYXLM-HZPDHXFCSA-N 1 0 356.422 2.588 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001203623656 1030793025 /nfs/dbraw/zinc/79/30/25/1030793025.db2.gz VUJFNLSGYPWYDE-WMLDXEAASA-N 1 0 359.495 2.954 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1 ZINC001203648276 1030803421 /nfs/dbraw/zinc/80/34/21/1030803421.db2.gz HYDPLDRPMHNELO-KBPBESRZSA-N 1 0 356.850 2.506 20 10 FFCDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001203681059 1030824445 /nfs/dbraw/zinc/82/44/45/1030824445.db2.gz NMFBQFLULWEJDL-FQEVSTJZSA-N 1 0 356.466 2.734 20 10 FFCDRO COc1ncncc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000842687001 1030901007 /nfs/dbraw/zinc/90/10/07/1030901007.db2.gz RWAQMKFFIOGRMQ-AWEZNQCLSA-N 1 0 364.396 2.845 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(F)c1 ZINC000842718627 1030919602 /nfs/dbraw/zinc/91/96/02/1030919602.db2.gz QRJZLEMDNKHSIY-QGZVFWFLSA-N 1 0 373.472 2.595 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC001203929827 1030987653 /nfs/dbraw/zinc/98/76/53/1030987653.db2.gz GLGIXMJBUPVQAU-UHFFFAOYSA-N 1 0 364.493 2.681 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(N3CCOCC3=O)CC2)c2ccccc21 ZINC001204240320 1031181646 /nfs/dbraw/zinc/18/16/46/1031181646.db2.gz OOQFFTYUESUYOI-UHFFFAOYSA-N 1 0 367.493 2.729 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274085 1031200938 /nfs/dbraw/zinc/20/09/38/1031200938.db2.gz HXBFFZHIFHHWDB-OAQYLSRUSA-N 1 0 367.449 2.508 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001204275150 1031204730 /nfs/dbraw/zinc/20/47/30/1031204730.db2.gz XZAZPHFSIXANOR-QFBILLFUSA-N 1 0 358.413 2.574 20 10 FFCDRO O=C(COC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)NC1CC1 ZINC001204321107 1031226300 /nfs/dbraw/zinc/22/63/00/1031226300.db2.gz GMTHDBTXCBNVQV-UHFFFAOYSA-N 1 0 357.498 2.546 20 10 FFCDRO COc1cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc(O)c1O ZINC001204342772 1031238260 /nfs/dbraw/zinc/23/82/60/1031238260.db2.gz MYRUCSDAZQJKAH-OAHLLOKOSA-N 1 0 364.442 2.596 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(O)c1O ZINC001204348649 1031245743 /nfs/dbraw/zinc/24/57/43/1031245743.db2.gz GROZLUASEPTRKT-AWEZNQCLSA-N 1 0 366.458 2.938 20 10 FFCDRO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349508 1031342329 /nfs/dbraw/zinc/34/23/29/1031342329.db2.gz BVDBUPGXHWPXEF-HNNXBMFYSA-N 1 0 355.457 2.784 20 10 FFCDRO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350542 1031343675 /nfs/dbraw/zinc/34/36/75/1031343675.db2.gz UPENZMFBDYYVBP-QGZVFWFLSA-N 1 0 367.493 2.790 20 10 FFCDRO C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000798387403 1031384236 /nfs/dbraw/zinc/38/42/36/1031384236.db2.gz GSLDMEQNJGXDKP-SFHVURJKSA-N 1 0 374.529 2.712 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)cc1 ZINC000843504184 1031432829 /nfs/dbraw/zinc/43/28/29/1031432829.db2.gz DDVWOULWMWLNPL-IIBYNOLFSA-N 1 0 365.477 2.525 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)[C@@H](O)CO2 ZINC000799944309 1031931712 /nfs/dbraw/zinc/93/17/12/1031931712.db2.gz ZJQPHPWGHBRBTR-KUHUBIRLSA-N 1 0 369.465 2.730 20 10 FFCDRO CC(C)(O)[C@H]([NH3+])C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N ZINC001219471632 1033660992 /nfs/dbraw/zinc/66/09/92/1033660992.db2.gz MJHPBIDMVPCQAN-LJQANCHMSA-N 1 0 364.449 2.767 20 10 FFCDRO [NH3+]Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)co1 ZINC000830664879 1033732901 /nfs/dbraw/zinc/73/29/01/1033732901.db2.gz NBXPQXLDXDHTOZ-ZDUSSCGKSA-N 1 0 365.380 2.739 20 10 FFCDRO O=C1CC2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC(=O)N1 ZINC001138221045 1033972703 /nfs/dbraw/zinc/97/27/03/1033972703.db2.gz YEXGKKNCMANILX-UHFFFAOYSA-N 1 0 355.482 2.696 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3c(C)n(C)c4ccccc43)CC2)n1 ZINC001138258267 1034029022 /nfs/dbraw/zinc/02/90/22/1034029022.db2.gz NTJMZCLCALAALG-UHFFFAOYSA-N 1 0 351.454 2.608 20 10 FFCDRO CO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCC1 ZINC000831561780 1034124673 /nfs/dbraw/zinc/12/46/73/1034124673.db2.gz XCRVUYGAOBLXPY-OAQYLSRUSA-N 1 0 371.525 2.650 20 10 FFCDRO CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000831560879 1034124731 /nfs/dbraw/zinc/12/47/31/1034124731.db2.gz HBZFGJGKSAWUNH-TZIWHRDSSA-N 1 0 371.525 2.650 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277027058 1034174851 /nfs/dbraw/zinc/17/48/51/1034174851.db2.gz 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Cc1onc(-c2ccccn2)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267234 1034688643 /nfs/dbraw/zinc/68/86/43/1034688643.db2.gz OPEYVIHSLYUHAT-INIZCTEOSA-N 1 0 365.437 2.541 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000832272674 1034694829 /nfs/dbraw/zinc/69/48/29/1034694829.db2.gz IRCTWVPRZIXUFU-KRWDZBQOSA-N 1 0 370.478 2.828 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCOc2ccccc2F)cc1 ZINC000832282096 1034699186 /nfs/dbraw/zinc/69/91/86/1034699186.db2.gz YGBZXFPEVZCRMI-GOSISDBHSA-N 1 0 359.445 2.867 20 10 FFCDRO CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832280760 1034699216 /nfs/dbraw/zinc/69/92/16/1034699216.db2.gz QTDZOUWHPHVGMC-MGPUTAFESA-N 1 0 369.465 2.539 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCOc2ccccc2F)cc1 ZINC000832282098 1034699501 /nfs/dbraw/zinc/69/95/01/1034699501.db2.gz YGBZXFPEVZCRMI-SFHVURJKSA-N 1 0 359.445 2.867 20 10 FFCDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 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COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)c1 ZINC000834676349 1035427581 /nfs/dbraw/zinc/42/75/81/1035427581.db2.gz SAWXNWMSAPHRCD-MSOLQXFVSA-N 1 0 368.433 2.792 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2)N1CCOCC1 ZINC001140344205 1035446171 /nfs/dbraw/zinc/44/61/71/1035446171.db2.gz GDKQTXRPDCMNDA-HNNXBMFYSA-N 1 0 364.873 2.507 20 10 FFCDRO CC(=O)CN(C)Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001140476709 1035487622 /nfs/dbraw/zinc/48/76/22/1035487622.db2.gz VKTMQCQXYKNEBQ-UHFFFAOYSA-N 1 0 361.486 2.765 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194292 1035494386 /nfs/dbraw/zinc/49/43/86/1035494386.db2.gz HWHAIMOCQGVAED-GDBMZVCRSA-N 1 0 366.889 2.950 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)c1cccnc1 ZINC001232263155 1035535095 /nfs/dbraw/zinc/53/50/95/1035535095.db2.gz IHGQXRICVMRVJA-UHFFFAOYSA-N 1 0 361.829 2.541 20 10 FFCDRO CC(C)N1CCC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)C1=O ZINC001232265741 1035537289 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Cc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c1O ZINC001140748560 1036048410 /nfs/dbraw/zinc/04/84/10/1036048410.db2.gz NNIUYFBNJSRARL-ZBFHGGJFSA-N 1 0 359.495 2.959 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2cn(CC)nc21 ZINC001232837205 1036091447 /nfs/dbraw/zinc/09/14/47/1036091447.db2.gz BCYSNDIVSCEDCU-QGZVFWFLSA-N 1 0 358.486 2.811 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c(O)c1 ZINC001232838122 1036093041 /nfs/dbraw/zinc/09/30/41/1036093041.db2.gz PRSPJWWFBLSXNJ-OSYLJGHBSA-N 1 0 357.498 2.585 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c(O)c1 ZINC001232839744 1036094038 /nfs/dbraw/zinc/09/40/38/1036094038.db2.gz VVQYRLXHRLLSKP-OAQYLSRUSA-N 1 0 367.497 2.741 20 10 FFCDRO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(I)cc3O)CC[C@H]2O1 ZINC001232975836 1036207744 /nfs/dbraw/zinc/20/77/44/1036207744.db2.gz KNAWKXCBLVJFHM-ITDIGPHOSA-N 1 0 373.234 2.996 20 10 FFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(I)cc2O)C1 ZINC001232978014 1036212661 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IYYPTGLZVITHHP-ZDUSSCGKSA-N 1 0 368.424 2.520 20 10 FFCDRO Cc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)c(O)c1 ZINC001140952547 1036556150 /nfs/dbraw/zinc/55/61/50/1036556150.db2.gz WZCSYOMOZVDJEC-LEWJYISDSA-N 1 0 367.493 2.879 20 10 FFCDRO O=C(COC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1)NC1CC1 ZINC001233454981 1036634089 /nfs/dbraw/zinc/63/40/89/1036634089.db2.gz RAIAUQKTZNQOHK-UHFFFAOYSA-N 1 0 372.387 2.671 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@H](c2ccccc2)C1 ZINC001233486944 1036655250 /nfs/dbraw/zinc/65/52/50/1036655250.db2.gz IZIUGQUGYJPVFI-ZBFHGGJFSA-N 1 0 357.406 2.930 20 10 FFCDRO CN1CC2(CC1=O)CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233776832 1036757503 /nfs/dbraw/zinc/75/75/03/1036757503.db2.gz ZNMWYLOIYOJMDP-UHFFFAOYSA-N 1 0 358.360 2.735 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(OC)c1 ZINC001141027265 1036759813 /nfs/dbraw/zinc/75/98/13/1036759813.db2.gz SFDDEVPYQHIJSW-KRWDZBQOSA-N 1 0 374.481 2.680 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141028475 1036767702 /nfs/dbraw/zinc/76/77/02/1036767702.db2.gz QCSFCPHIVOAEDC-UHFFFAOYSA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(OC)c1 ZINC001141032579 1036780694 /nfs/dbraw/zinc/78/06/94/1036780694.db2.gz HNNYCUZPPKAUDU-OLZOCXBDSA-N 1 0 366.458 2.897 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(O)cc(OC)cc1OC)C2 ZINC001141034389 1036790383 /nfs/dbraw/zinc/79/03/83/1036790383.db2.gz BSWUKSNGZHGCSA-MGPUTAFESA-N 1 0 365.470 2.817 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(O)cc(OC)cc1OC)C2 ZINC001141034388 1036791549 /nfs/dbraw/zinc/79/15/49/1036791549.db2.gz BSWUKSNGZHGCSA-FOIQADDNSA-N 1 0 365.470 2.817 20 10 FFCDRO CC(=O)c1cc(O)c(O)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001234474951 1037054629 /nfs/dbraw/zinc/05/46/29/1037054629.db2.gz AODNTKLDRNTTHS-QGZVFWFLSA-N 1 0 371.433 2.970 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001230199547 1037144020 /nfs/dbraw/zinc/14/40/20/1037144020.db2.gz BSKLOYFKTOZHAD-VDGAXYAQSA-N 1 0 358.530 2.870 20 10 FFCDRO Cc1cc(O)c(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cc1Br ZINC001235019169 1037306834 /nfs/dbraw/zinc/30/68/34/1037306834.db2.gz AEOANZULPPYECA-KRWDZBQOSA-N 1 0 369.303 2.665 20 10 FFCDRO O=C1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@H]2CCCN12 ZINC001231469817 1037614549 /nfs/dbraw/zinc/61/45/49/1037614549.db2.gz MSRKVLXJXBNOHR-GOSISDBHSA-N 1 0 352.434 2.778 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231554034 1037677647 /nfs/dbraw/zinc/67/76/47/1037677647.db2.gz FMTDBTRGCQLYMF-GHMZBOCLSA-N 1 0 372.259 2.794 20 10 FFCDRO COc1ccc(Br)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1O ZINC001231556452 1037680323 /nfs/dbraw/zinc/68/03/23/1037680323.db2.gz IKJXSQQDFBLRQP-DHPDLVEQSA-N 1 0 354.244 2.773 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235706677 1037702480 /nfs/dbraw/zinc/70/24/80/1037702480.db2.gz VFRCPRZVKHWJMC-UHFFFAOYSA-N 1 0 361.505 2.874 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001277964232 1037704839 /nfs/dbraw/zinc/70/48/39/1037704839.db2.gz BSNINGZEADTOJY-KRWDZBQOSA-N 1 0 372.387 2.778 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]21 ZINC001231586803 1037705027 /nfs/dbraw/zinc/70/50/27/1037705027.db2.gz GOJQXQKVNIIDAB-YFVAEKQCSA-N 1 0 368.477 2.861 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1O ZINC001231591672 1037707213 /nfs/dbraw/zinc/70/72/13/1037707213.db2.gz HFLWBUXHXYEXIL-OAQYLSRUSA-N 1 0 351.450 2.720 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccc(F)cc2)c1O ZINC001231595327 1037716627 /nfs/dbraw/zinc/71/66/27/1037716627.db2.gz WRVDRMBJUGMBAB-UHFFFAOYSA-N 1 0 369.440 2.768 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)cc1O ZINC001231633401 1037752262 /nfs/dbraw/zinc/75/22/62/1037752262.db2.gz NUFKMYPOUZYFKP-HUUCEWRRSA-N 1 0 360.479 2.732 20 10 FFCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001231634732 1037754656 /nfs/dbraw/zinc/75/46/56/1037754656.db2.gz AHZHMOFUPWXKCU-MRXNPFEDSA-N 1 0 365.470 2.762 20 10 FFCDRO COCCCN(Cc1c(O)cccc1Br)[C@H]1CCC[NH2+]C1 ZINC001235807963 1037757272 /nfs/dbraw/zinc/75/72/72/1037757272.db2.gz QEOOOTPZGABQBT-ZDUSSCGKSA-N 1 0 357.292 2.745 20 10 FFCDRO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(O)cc1O ZINC001231640000 1037765418 /nfs/dbraw/zinc/76/54/18/1037765418.db2.gz OEFDQKGQSYQJNR-AEFFLSMTSA-N 1 0 354.450 2.813 20 10 FFCDRO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(N)cc3)[C@@H](C)C2)cc1 ZINC001235817743 1037766240 /nfs/dbraw/zinc/76/62/40/1037766240.db2.gz FCUIRVCWQQBJGM-INIZCTEOSA-N 1 0 353.466 2.762 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC3COC3)CC2)c(O)c1 ZINC001277976809 1037858902 /nfs/dbraw/zinc/85/89/02/1037858902.db2.gz XFICSYHIOJJTEX-SFHVURJKSA-N 1 0 358.482 2.633 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(CN3C[C@@H]4C[C@]4([NH3+])C3)c2)nc1C ZINC001236029402 1037895540 /nfs/dbraw/zinc/89/55/40/1037895540.db2.gz NUNKNLJYGUZIMP-LIRRHRJNSA-N 1 0 373.478 2.534 20 10 FFCDRO Fc1ccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2F)cc1 ZINC001236124082 1037941704 /nfs/dbraw/zinc/94/17/04/1037941704.db2.gz FCIUQIJHMZXZFN-OAQYLSRUSA-N 1 0 373.447 2.948 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c(O)c1 ZINC001231844174 1037941780 /nfs/dbraw/zinc/94/17/80/1037941780.db2.gz HTOHHFHPJPJQSG-UHFFFAOYSA-N 1 0 372.513 2.690 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001231854173 1037950477 /nfs/dbraw/zinc/95/04/77/1037950477.db2.gz AOKRBGLZELSLEQ-KRWDZBQOSA-N 1 0 357.454 2.818 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001231853490 1037952188 /nfs/dbraw/zinc/95/21/88/1037952188.db2.gz YTRBDDRAYKRCFX-KDURUIRLSA-N 1 0 366.509 2.720 20 10 FFCDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001236154908 1037953479 /nfs/dbraw/zinc/95/34/79/1037953479.db2.gz TYIUBMLAPKQZRW-MRXNPFEDSA-N 1 0 352.551 2.964 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)cc1Cl ZINC001231867845 1037965183 /nfs/dbraw/zinc/96/51/83/1037965183.db2.gz PUZVHDLFTYZVNC-SJORKVTESA-N 1 0 374.872 2.577 20 10 FFCDRO CN(Cc1cccc(I)c1O)[C@@]1(C)CCC[NH2+]C1 ZINC001236205510 1037983770 /nfs/dbraw/zinc/98/37/70/1037983770.db2.gz FWDJOLPBCHFQDV-AWEZNQCLSA-N 1 0 360.239 2.571 20 10 FFCDRO COc1cc(Br)cc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001236237841 1037999605 /nfs/dbraw/zinc/99/96/05/1037999605.db2.gz XAIALEPLUQRBSB-CQSZACIVSA-N 1 0 355.276 2.880 20 10 FFCDRO CCOc1ccc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC001277996499 1038187095 /nfs/dbraw/zinc/18/70/95/1038187095.db2.gz JNLGEAGSXAPSDV-UHFFFAOYSA-N 1 0 359.514 2.856 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)cc1OC ZINC001236750890 1038235921 /nfs/dbraw/zinc/23/59/21/1038235921.db2.gz AGPGKTKUNUZMFS-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001236788411 1038268517 /nfs/dbraw/zinc/26/85/17/1038268517.db2.gz JYZDEWAQJRTHLG-SIKLNZKXSA-N 1 0 365.477 2.878 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c(O)c1 ZINC001236787015 1038268875 /nfs/dbraw/zinc/26/88/75/1038268875.db2.gz ISFDTOMSOXEHJM-SFHVURJKSA-N 1 0 372.509 2.994 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001236788415 1038269437 /nfs/dbraw/zinc/26/94/37/1038269437.db2.gz JYZDEWAQJRTHLG-UGKGYDQZSA-N 1 0 365.477 2.878 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 ZINC001236818648 1038289318 /nfs/dbraw/zinc/28/93/18/1038289318.db2.gz QADXLASUOHDLCU-UHFFFAOYSA-N 1 0 370.449 2.756 20 10 FFCDRO CCN(C)C(=O)CO[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236819609 1038290485 /nfs/dbraw/zinc/29/04/85/1038290485.db2.gz XKXQLVVKAQECBX-CQSZACIVSA-N 1 0 370.877 2.514 20 10 FFCDRO O=S1(=O)CCCCN1C1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236834815 1038298947 /nfs/dbraw/zinc/29/89/47/1038298947.db2.gz DHILPNSIKXJBSF-UHFFFAOYSA-N 1 0 374.506 2.935 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)[C@H]4CCCC[C@@H]43)c(F)c2)CC1 ZINC001236933412 1038365143 /nfs/dbraw/zinc/36/51/43/1038365143.db2.gz WQINNLUOJRYNJN-ICSRJNTNSA-N 1 0 359.489 2.911 20 10 FFCDRO COCCCN(Cc1cc(C)cc(Br)c1O)[C@H]1CC[NH2+]C1 ZINC001236944911 1038372582 /nfs/dbraw/zinc/37/25/82/1038372582.db2.gz FKIGVQSJZVATTL-AWEZNQCLSA-N 1 0 357.292 2.664 20 10 FFCDRO CCOC(=O)c1c(CN(CCCOC)[C@H]2CC[NH2+]C2)c2ccccc2n1C ZINC001236947585 1038374242 /nfs/dbraw/zinc/37/42/42/1038374242.db2.gz UCOTWJOIOHDCQE-INIZCTEOSA-N 1 0 373.497 2.555 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001237053698 1038424868 /nfs/dbraw/zinc/42/48/68/1038424868.db2.gz OGLVXXCGJYMEGL-GFCCVEGCSA-N 1 0 359.266 2.832 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+](C4CCN(C)CC4)C3)C2)cc1 ZINC001256202878 1038430076 /nfs/dbraw/zinc/43/00/76/1038430076.db2.gz ANXRGHVERHDALE-QFIPXVFZSA-N 1 0 373.541 2.708 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(Br)c1 ZINC001237067520 1038433867 /nfs/dbraw/zinc/43/38/67/1038433867.db2.gz JNRBITSXUFKVCE-XHDPSFHLSA-N 1 0 355.276 2.689 20 10 FFCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237114604 1038447706 /nfs/dbraw/zinc/44/77/06/1038447706.db2.gz MSORTLDODCIWEO-UHFFFAOYSA-N 1 0 354.328 2.992 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001237124484 1038450722 /nfs/dbraw/zinc/45/07/22/1038450722.db2.gz BTOYMAKOVZNNMV-NSHDSACASA-N 1 0 355.316 2.734 20 10 FFCDRO O=C1NCCCC12CC[NH+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237122871 1038450808 /nfs/dbraw/zinc/45/08/08/1038450808.db2.gz LWCWQPVAAXARJF-UHFFFAOYSA-N 1 0 358.360 2.783 20 10 FFCDRO C[C@@H]1C[C@@H](NCC(=O)c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529600 1038546896 /nfs/dbraw/zinc/54/68/96/1038546896.db2.gz CTRUJNYGMDTRBI-QAPCUYQASA-N 1 0 354.450 2.923 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC001251247907 1039031180 /nfs/dbraw/zinc/03/11/80/1039031180.db2.gz SRLDLDLBBMCGRS-CQSZACIVSA-N 1 0 352.228 2.684 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](C3CCC4(COC4)CC3)CC2)cc1 ZINC001257914433 1039059303 /nfs/dbraw/zinc/05/93/03/1039059303.db2.gz RKVJXJWTGDUXMK-UHFFFAOYSA-N 1 0 360.498 2.793 20 10 FFCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001251799818 1039303568 /nfs/dbraw/zinc/30/35/68/1039303568.db2.gz SSAPFHXQEBJCCJ-GOSISDBHSA-N 1 0 363.502 2.604 20 10 FFCDRO COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(F)c3[O-])(C1)CCC2 ZINC001278688001 1039799742 /nfs/dbraw/zinc/79/97/42/1039799742.db2.gz RJNDCKJWLATBHU-MOPGFXCFSA-N 1 0 370.440 2.816 20 10 FFCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC001259311261 1039902048 /nfs/dbraw/zinc/90/20/48/1039902048.db2.gz NLWKVSUOMCVCPW-UHFFFAOYSA-N 1 0 367.421 2.517 20 10 FFCDRO CCCCC[C@H](O)C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC001253552505 1040237760 /nfs/dbraw/zinc/23/77/60/1040237760.db2.gz XMLFDLPNRAMHQX-FQEVSTJZSA-N 1 0 363.546 2.738 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3C)C2)c(O)c1 ZINC001249217309 1040631722 /nfs/dbraw/zinc/63/17/22/1040631722.db2.gz NGBCQXHYRFFOPK-SFHVURJKSA-N 1 0 370.449 2.855 20 10 FFCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@H]21 ZINC001249238278 1040644602 /nfs/dbraw/zinc/64/46/02/1040644602.db2.gz XJNUWXCUZBHCDL-VQFNDLOPSA-N 1 0 356.466 2.779 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@]23CCN(C2CCCC2)C3=O)c(O)cc1O ZINC001276704882 1040874233 /nfs/dbraw/zinc/87/42/33/1040874233.db2.gz JIRXOGMELFCXPV-HXUWFJFHSA-N 1 0 360.454 2.616 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H](OC)C2)c(O)c1 ZINC001249725508 1040964020 /nfs/dbraw/zinc/96/40/20/1040964020.db2.gz PFSNHHAGKWRGOS-KRWDZBQOSA-N 1 0 351.443 2.725 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(OC)c3)CC2)cc1 ZINC001250714948 1041322448 /nfs/dbraw/zinc/32/24/48/1041322448.db2.gz DKJQWYDKEMNPSF-OAQYLSRUSA-N 1 0 356.466 2.950 20 10 FFCDRO COCOc1ccc2[nH]c(-c3ccc(N4CC[NH+](C)CC4)cc3)nc2c1 ZINC001250773708 1041357526 /nfs/dbraw/zinc/35/75/26/1041357526.db2.gz WSXUPFOYQPFCQA-UHFFFAOYSA-N 1 0 352.438 2.964 20 10 FFCDRO Cn1c2cc3nc[nH]c(=O)c3cc2nc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001250773067 1041357875 /nfs/dbraw/zinc/35/78/75/1041357875.db2.gz KFZMMXIGYJRADA-UHFFFAOYSA-N 1 0 374.448 2.641 20 10 FFCDRO C[NH+]1CCN(c2ccc(-c3noc(-c4cccc(O)c4O)n3)cc2)CC1 ZINC001215145913 1041678856 /nfs/dbraw/zinc/67/88/56/1041678856.db2.gz QTRMXQNBQVUYJI-UHFFFAOYSA-N 1 0 352.394 2.567 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[C@]43C[NH3+])ccc21 ZINC001263257185 1042203058 /nfs/dbraw/zinc/20/30/58/1042203058.db2.gz OEZMLMJUCWMZAY-UTKZUKDTSA-N 1 0 355.482 2.858 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001279231506 1042956861 /nfs/dbraw/zinc/95/68/61/1042956861.db2.gz PYJHCNCHMRGJIV-OYRHEFFESA-N 1 0 359.514 2.556 20 10 FFCDRO COc1cc(Br)cc(CN2CCCC3(C[NH+](C)C3)C2)c1O ZINC001279233009 1042957230 /nfs/dbraw/zinc/95/72/30/1042957230.db2.gz GQXPGQYYULVFQN-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(CN(C(=O)Nc4cccnc4)C3)C2)c1O ZINC001279235253 1042958907 /nfs/dbraw/zinc/95/89/07/1042958907.db2.gz NZPBIVCNCSXVLV-UHFFFAOYSA-N 1 0 352.438 2.754 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)c1O ZINC001279290796 1042985793 /nfs/dbraw/zinc/98/57/93/1042985793.db2.gz UFEPMHDJKMXXNF-OKILXGFUSA-N 1 0 357.376 2.621 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c1O ZINC001279290267 1042985927 /nfs/dbraw/zinc/98/59/27/1042985927.db2.gz JYAKTAODHYGNKP-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO CC1(C)CN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1(F)F ZINC001237206317 1043052417 /nfs/dbraw/zinc/05/24/17/1043052417.db2.gz KMQMYUQWSKXBGD-UHFFFAOYSA-N 1 0 372.481 2.789 20 10 FFCDRO c1ccc(COc2ccc(N3CCN(C[C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC001237250732 1043074502 /nfs/dbraw/zinc/07/45/02/1043074502.db2.gz XGFZILVSJRKYDB-FQEVSTJZSA-N 1 0 351.494 2.997 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001279430703 1043104790 /nfs/dbraw/zinc/10/47/90/1043104790.db2.gz QGMZXRWJYNFKAL-OXJNMPFZSA-N 1 0 354.498 2.796 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(CN(C(=O)Nc4cccnc4)C3)C2)c(O)c1 ZINC001279432211 1043106401 /nfs/dbraw/zinc/10/64/01/1043106401.db2.gz GFPZZWGVLVYRAO-UHFFFAOYSA-N 1 0 352.438 2.754 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(O)ccc(F)c2F)c1 ZINC001237453990 1043175565 /nfs/dbraw/zinc/17/55/65/1043175565.db2.gz UOCXWIIVSXLREU-INIZCTEOSA-N 1 0 362.376 2.604 20 10 FFCDRO COC[C@@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237487819 1043201398 /nfs/dbraw/zinc/20/13/98/1043201398.db2.gz DUGLFJXJCUVBQX-LJQANCHMSA-N 1 0 372.509 2.798 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001279514975 1043211198 /nfs/dbraw/zinc/21/11/98/1043211198.db2.gz WOZFVHJJMKVCAE-UHFFFAOYSA-N 1 0 374.403 2.539 20 10 FFCDRO C[NH+]1CCC(C[NH+]2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC001237622912 1043279021 /nfs/dbraw/zinc/27/90/21/1043279021.db2.gz FAQXLHBNSVYLCZ-UHFFFAOYSA-N 1 0 355.885 2.644 20 10 FFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237671814 1043302016 /nfs/dbraw/zinc/30/20/16/1043302016.db2.gz BLXDUAFTFISRBP-YWZLYKJASA-N 1 0 365.470 2.817 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237674996 1043302942 /nfs/dbraw/zinc/30/29/42/1043302942.db2.gz PJEYEPWOTFMLIF-ZDUSSCGKSA-N 1 0 353.415 2.935 20 10 FFCDRO COC[C@H]1COCCC12CC[NH+](Cc1cc(OC)cc(OC)c1O)CC2 ZINC001237673879 1043304059 /nfs/dbraw/zinc/30/40/59/1043304059.db2.gz NPFNEHCPQOOGNN-INIZCTEOSA-N 1 0 365.470 2.675 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2O)Cc2ccccc21 ZINC001237680389 1043307367 /nfs/dbraw/zinc/30/73/67/1043307367.db2.gz JQPOOTIJTDJWSC-KRWDZBQOSA-N 1 0 357.406 2.682 20 10 FFCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(Br)c(C)cc1O)C2 ZINC001237683553 1043309827 /nfs/dbraw/zinc/30/98/27/1043309827.db2.gz MOKQQEKFEFUPNT-CZUORRHYSA-N 1 0 356.260 2.558 20 10 FFCDRO Cc1ccc(N2CCO[C@H]3C[N@H+](Cc4cc(Cl)cc(C)c4O)C[C@H]32)nn1 ZINC001237683388 1043310200 /nfs/dbraw/zinc/31/02/00/1043310200.db2.gz GSINKEBQFXWSAL-SJORKVTESA-N 1 0 374.872 2.542 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc1Br ZINC001237684144 1043311849 /nfs/dbraw/zinc/31/18/49/1043311849.db2.gz HJAOAORUHPURIU-ZDUSSCGKSA-N 1 0 364.243 2.906 20 10 FFCDRO [O-]c1c(I)cccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001237777020 1043350518 /nfs/dbraw/zinc/35/05/18/1043350518.db2.gz LLFBKDNPQCMWGK-UHFFFAOYSA-N 1 0 373.234 2.999 20 10 FFCDRO [NH3+]C1CN(c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)C1 ZINC001237813614 1043376092 /nfs/dbraw/zinc/37/60/92/1043376092.db2.gz OEJNMICDNYCDPW-UHFFFAOYSA-N 1 0 371.384 2.654 20 10 FFCDRO [NH3+]C1CN(c2cccc(NS(=O)(=O)c3ccc(F)c4ccccc43)c2)C1 ZINC001237815175 1043377837 /nfs/dbraw/zinc/37/78/37/1043377837.db2.gz ZKYRMAPERBYVQS-UHFFFAOYSA-N 1 0 371.437 2.927 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCCC3(CN(CCn4ccnc4)C3)C2)c(O)c1 ZINC001279663658 1043425876 /nfs/dbraw/zinc/42/58/76/1043425876.db2.gz AHVLNWRZKZBZRU-UHFFFAOYSA-N 1 0 354.498 2.749 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)c1O ZINC001238061752 1043509572 /nfs/dbraw/zinc/50/95/72/1043509572.db2.gz RUNFSYSFRBVLNC-KURKYZTESA-N 1 0 362.445 2.584 20 10 FFCDRO COc1ccc(N2CC[N@@H+](C3CCCC3)C[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001279731389 1043546483 /nfs/dbraw/zinc/54/64/83/1043546483.db2.gz HNWRQSFBXACHOA-NRFANRHFSA-N 1 0 357.498 2.799 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N4CC(F)(C5CC5)C4)(C2)C3)cc1C ZINC001279735333 1043554777 /nfs/dbraw/zinc/55/47/77/1043554777.db2.gz NGOXFJSCWKIIAA-UHFFFAOYSA-N 1 0 358.457 2.976 20 10 FFCDRO COc1ccc(N2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(OC)c1 ZINC001279758406 1043595277 /nfs/dbraw/zinc/59/52/77/1043595277.db2.gz FRLRJNGTWOYYJV-CALCHBBNSA-N 1 0 356.470 2.775 20 10 FFCDRO C=Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001309934471 1043595731 /nfs/dbraw/zinc/59/57/31/1043595731.db2.gz RAOFCMWTMKSGFR-HXUWFJFHSA-N 1 0 373.522 2.977 20 10 FFCDRO O=C([C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2)N1CC=CC1 ZINC001279846490 1043765814 /nfs/dbraw/zinc/76/58/14/1043765814.db2.gz MBBPKFUMNRIUPO-MRXNPFEDSA-N 1 0 356.466 2.879 20 10 FFCDRO Cn1nc(C2CC2)cc1NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001279968154 1044001711 /nfs/dbraw/zinc/00/17/11/1044001711.db2.gz GMLFENITZKOUGH-MGPUTAFESA-N 1 0 352.438 2.606 20 10 FFCDRO O=C(Nc1ccc2nsnc2c1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001279969168 1044004852 /nfs/dbraw/zinc/00/48/52/1044004852.db2.gz VXWJUJLZMUPSBZ-BFUOFWGJSA-N 1 0 366.446 2.858 20 10 FFCDRO COc1cccc(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c1O ZINC001279977326 1044021925 /nfs/dbraw/zinc/02/19/25/1044021925.db2.gz IBARJHHBKYTSNI-GPANFISMSA-N 1 0 362.445 2.620 20 10 FFCDRO NC(=O)C1=CC2(CC1)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001279982666 1044030950 /nfs/dbraw/zinc/03/09/50/1044030950.db2.gz JWQPXWXJVOWRGX-UHFFFAOYSA-N 1 0 365.271 2.942 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CCCC23CC3)c1O ZINC001279982375 1044031335 /nfs/dbraw/zinc/03/13/35/1044031335.db2.gz YPIMHHCFBQJHJM-HRAATJIYSA-N 1 0 356.466 2.910 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C23CC(C(=O)N(C)C4CC(F)(F)C4)(C2)C3)c1 ZINC001279986066 1044039707 /nfs/dbraw/zinc/03/97/07/1044039707.db2.gz OEDUOEZJPOBMPR-UHFFFAOYSA-N 1 0 366.408 2.669 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)NC(C)(C)C)n3nccc3C2)c(O)c1 ZINC001280047169 1044135705 /nfs/dbraw/zinc/13/57/05/1044135705.db2.gz ZYFURJIKYDVBAO-KRWDZBQOSA-N 1 0 356.470 2.759 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC001312648055 1044149173 /nfs/dbraw/zinc/14/91/73/1044149173.db2.gz KAHVHCMUZUADKQ-IBGZPJMESA-N 1 0 374.529 2.790 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCOC3(CCCC3)C2)[NH+](C)C)cc1 ZINC001313419780 1044350877 /nfs/dbraw/zinc/35/08/77/1044350877.db2.gz UDCAIXMSVFERSG-LJQANCHMSA-N 1 0 374.529 2.710 20 10 FFCDRO CC(C)OCCCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313414808 1044350937 /nfs/dbraw/zinc/35/09/37/1044350937.db2.gz NMKHYVWYZYTWTO-LJQANCHMSA-N 1 0 364.534 2.812 20 10 FFCDRO O=C(NCC(F)F)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292745 1044558179 /nfs/dbraw/zinc/55/81/79/1044558179.db2.gz NDDVBWBYZGYADU-KSSFIOAISA-N 1 0 356.388 2.905 20 10 FFCDRO CC(C)(C)NC(=O)[C@@H]1CCSC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001280293580 1044562284 /nfs/dbraw/zinc/56/22/84/1044562284.db2.gz VYKVTSJHZQAYHX-AWEZNQCLSA-N 1 0 352.475 2.754 20 10 FFCDRO O=C(NCC(F)F)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001280319393 1044599508 /nfs/dbraw/zinc/59/95/08/1044599508.db2.gz XFDIPXQYUWUFGK-IDCJVQTKSA-N 1 0 350.409 2.507 20 10 FFCDRO COCCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001280350068 1044640216 /nfs/dbraw/zinc/64/02/16/1044640216.db2.gz ZEEDGASPORROQT-IZZQQSIFSA-N 1 0 360.498 2.572 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C(=O)NCC(F)(F)F ZINC001320253035 1045375571 /nfs/dbraw/zinc/37/55/71/1045375571.db2.gz OJLZAFMONCPOGF-JGVFFNPUSA-N 1 0 369.181 2.872 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H](CO)CC3CCCC3)cc2F)CC1 ZINC001321150009 1045562693 /nfs/dbraw/zinc/56/26/93/1045562693.db2.gz RBOVPWRLIATZJT-LJQANCHMSA-N 1 0 363.521 2.856 20 10 FFCDRO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)n1 ZINC001324731435 1046192689 /nfs/dbraw/zinc/19/26/89/1046192689.db2.gz LLKOGGHMSJYSEP-KRWDZBQOSA-N 1 0 373.476 2.649 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)cc2F)CC1 ZINC001324822277 1046242927 /nfs/dbraw/zinc/24/29/27/1046242927.db2.gz IDJXKSFYNMXTRW-LJQANCHMSA-N 1 0 361.505 2.826 20 10 FFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325712850 1046619928 /nfs/dbraw/zinc/61/99/28/1046619928.db2.gz DTIOOMVKJDRLHT-YLJYHZDGSA-N 1 0 360.521 2.636 20 10 FFCDRO Cc1nc(Cl)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288330843 1047449035 /nfs/dbraw/zinc/44/90/35/1047449035.db2.gz ROPFQCSTUOTQPS-UHFFFAOYSA-N 1 0 358.873 2.725 20 10 FFCDRO CCc1ccccc1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288331263 1047449093 /nfs/dbraw/zinc/44/90/93/1047449093.db2.gz YHOHUJUUHYRIID-UHFFFAOYSA-N 1 0 367.493 2.696 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(F)(F)c3ccccc3)cc2)CC1 ZINC001288331396 1047449259 /nfs/dbraw/zinc/44/92/59/1047449259.db2.gz ZOTAMXBWJAGSPP-UHFFFAOYSA-N 1 0 359.420 2.847 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC001331924492 1048174012 /nfs/dbraw/zinc/17/40/12/1048174012.db2.gz JLCOVAAZTYXCDW-NVXWUHKLSA-N 1 0 374.506 2.958 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC([NH2+]CC4CC4)CC3)cc2F)CC1 ZINC001332339175 1048354234 /nfs/dbraw/zinc/35/42/34/1048354234.db2.gz KWRFVRQDNFAQDZ-UHFFFAOYSA-N 1 0 360.521 2.542 20 10 FFCDRO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001330315404 1049129931 /nfs/dbraw/zinc/12/99/31/1049129931.db2.gz ISUIUMHVZJZQLZ-KKSFZXQISA-N 1 0 357.473 2.789 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001292235466 1049202086 /nfs/dbraw/zinc/20/20/86/1049202086.db2.gz KLFCUEFLAMUQPD-MJGOQNOKSA-N 1 0 359.514 2.821 20 10 FFCDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393506 1049883102 /nfs/dbraw/zinc/88/31/02/1049883102.db2.gz XWFSOEYOITUIOZ-HFTRVMKXSA-N 1 0 372.469 2.684 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001341569505 1050196192 /nfs/dbraw/zinc/19/61/92/1050196192.db2.gz PQNGAUGRPMYYFC-IBGZPJMESA-N 1 0 362.537 2.741 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NC3CC4(CC([NH3+])C4)C3)ccc21 ZINC001341978255 1050574786 /nfs/dbraw/zinc/57/47/86/1050574786.db2.gz VORNUKCSOLDRNE-UHFFFAOYSA-N 1 0 355.482 2.904 20 10 FFCDRO Cc1cc(C(=O)NOC[C@@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC001340588883 1050974380 /nfs/dbraw/zinc/97/43/80/1050974380.db2.gz MYZQXZVAQDWQSN-SNVBAGLBSA-N 1 0 366.259 2.865 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2c(s1)C[NH2+]CC2 ZINC001343392596 1052202103 /nfs/dbraw/zinc/20/21/03/1052202103.db2.gz PVNPCBIAUFOOIM-UHFFFAOYSA-N 1 0 373.547 2.877 20 10 FFCDRO COc1ccc(N2CC[NH+](CCOc3ccc4c(c3)OCO4)CC2)cc1F ZINC001307574879 1052322391 /nfs/dbraw/zinc/32/23/91/1052322391.db2.gz SAHKTRXECABADL-UHFFFAOYSA-N 1 0 374.412 2.764 20 10 FFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC001308227717 1052433849 /nfs/dbraw/zinc/43/38/49/1052433849.db2.gz PFRFNAQGCFOBKS-UHFFFAOYSA-N 1 0 370.268 2.848 20 10 FFCDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000754045818 1052445316 /nfs/dbraw/zinc/44/53/16/1052445316.db2.gz JXLDTLQFESLSKO-WBVHZDCISA-N 1 0 363.458 2.869 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1C ZINC001308380461 1052452000 /nfs/dbraw/zinc/45/20/00/1052452000.db2.gz WOCKTYVISBFTPJ-IRXDYDNUSA-N 1 0 354.516 2.591 20 10 FFCDRO COc1ccc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1C ZINC001308519520 1052463751 /nfs/dbraw/zinc/46/37/51/1052463751.db2.gz KNGUMMDQUHAXHL-UHFFFAOYSA-N 1 0 354.516 2.734 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2cccc(S(N)(=O)=O)c2)cc1 ZINC001308645066 1052481619 /nfs/dbraw/zinc/48/16/19/1052481619.db2.gz GSMMVNLWTIVFPU-UHFFFAOYSA-N 1 0 361.511 2.812 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001345858491 1052645968 /nfs/dbraw/zinc/64/59/68/1052645968.db2.gz VWPMQZRJTAEEQU-SQGPQFPESA-N 1 0 371.525 2.901 20 10 FFCDRO Cc1cc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)c(C)n1-c1ccccn1 ZINC001344368858 1052737574 /nfs/dbraw/zinc/73/75/74/1052737574.db2.gz QLXKGCNGJAHGBL-SFHVURJKSA-N 1 0 369.465 2.899 20 10 FFCDRO COCCOC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001335464666 1053380239 /nfs/dbraw/zinc/38/02/39/1053380239.db2.gz GEALSLGHKRRHGO-LSDHHAIUSA-N 1 0 358.429 2.898 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c3ccccc3nn2C)[NH+](C)C)cc1 ZINC001336624185 1054098455 /nfs/dbraw/zinc/09/84/55/1054098455.db2.gz FPWFIBZQBXTRDR-IBGZPJMESA-N 1 0 365.481 2.672 20 10 FFCDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC001337838743 1055050032 /nfs/dbraw/zinc/05/00/32/1055050032.db2.gz RZFAPAGDZJUOLP-HOTGVXAUSA-N 1 0 353.466 2.808 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)c1O ZINC000848895374 1055320467 /nfs/dbraw/zinc/32/04/67/1055320467.db2.gz RZXZYFQDZFRCER-UHFFFAOYSA-N 1 0 370.493 2.955 20 10 FFCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000848925848 1055376379 /nfs/dbraw/zinc/37/63/79/1055376379.db2.gz FYIPEQOVNPWFJO-KRWDZBQOSA-N 1 0 364.449 2.747 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3ccn(CC[NH+](C)C)n3)cc2)CC1 ZINC000847474917 1055871897 /nfs/dbraw/zinc/87/18/97/1055871897.db2.gz ZWJGYXMQSPHKJG-UHFFFAOYSA-N 1 0 369.513 2.611 20 10 FFCDRO Cc1noc(C2CC2)c1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001352915695 1055924947 /nfs/dbraw/zinc/92/49/47/1055924947.db2.gz COAGQJYRQVJCDY-UHFFFAOYSA-N 1 0 369.469 2.934 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001353514551 1056484033 /nfs/dbraw/zinc/48/40/33/1056484033.db2.gz OONSQMQDUJKKAC-BFHYXJOUSA-N 1 0 368.275 2.579 20 10 FFCDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001353517414 1056487876 /nfs/dbraw/zinc/48/78/76/1056487876.db2.gz GEBUBXYNFKSSKE-QGZVFWFLSA-N 1 0 359.445 2.997 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)c1cnc(C2CC[NH2+]CC2)o1 ZINC001353737999 1058167500 /nfs/dbraw/zinc/16/75/00/1058167500.db2.gz DEIFKCMSQCGVFX-UHFFFAOYSA-N 1 0 355.438 2.656 20 10 FFCDRO C[N@@H+]1CC[C@H]2CN(c3nnc(C4SC=CC4=O)n3CC3CC3)CC[C@H]21 ZINC001520579941 1059826357 /nfs/dbraw/zinc/82/63/57/1059826357.db2.gz BNWRVIAJOLZPTH-UONOGXRCSA-N 1 0 359.499 2.653 20 10 FFCDRO COc1ccc2c(c1)[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000848393521 1059925052 /nfs/dbraw/zinc/92/50/52/1059925052.db2.gz FWEQFHMLXCDYAN-FPOVZHCZSA-N 1 0 367.493 2.997 20 10 FFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001355215181 1059999998 /nfs/dbraw/zinc/99/99/98/1059999998.db2.gz SKJRCWFOVUKHIN-OAHLLOKOSA-N 1 0 350.459 2.538 20 10 FFCDRO CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)c(F)cc3O)CC2)CC1 ZINC001461929690 1061454280 /nfs/dbraw/zinc/45/42/80/1061454280.db2.gz XFPRSIYQNLIBKN-UHFFFAOYSA-N 1 0 353.457 2.661 20 10 FFCDRO COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1F ZINC001463279520 1062028848 /nfs/dbraw/zinc/02/88/48/1062028848.db2.gz IXMMTYSTSPRNLH-GOSISDBHSA-N 1 0 359.445 2.933 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]23CCO[C@@H]2CCCC3)[NH+](C)C)cc1 ZINC001463282697 1062032734 /nfs/dbraw/zinc/03/27/34/1062032734.db2.gz PDAXRELISSHHGJ-ZVDOUQERSA-N 1 0 359.514 2.821 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[NH+]2CC=CC2)CCCC1 ZINC001465332029 1063053402 /nfs/dbraw/zinc/05/34/02/1063053402.db2.gz LIDJHKIRGLNFCD-UHFFFAOYSA-N 1 0 353.466 2.517 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)CC1 ZINC001533685263 1063373302 /nfs/dbraw/zinc/37/33/02/1063373302.db2.gz YQPSERMOEQSWFU-UHFFFAOYSA-N 1 0 366.490 2.978 20 10 FFCDRO CCOc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001467037664 1063621027 /nfs/dbraw/zinc/62/10/27/1063621027.db2.gz HZGXMUWGERFMMT-QGZVFWFLSA-N 1 0 371.485 2.971 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCOC3CCCCC3)cc2)CC1 ZINC001468197754 1063942927 /nfs/dbraw/zinc/94/29/27/1063942927.db2.gz RBIDLKVKJGIVAL-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO CC(C)(C)c1nnc(N2CC[NH2+]CC2)n1CCCSc1nccs1 ZINC001575287840 1078125991 /nfs/dbraw/zinc/12/59/91/1078125991.db2.gz LRHYSJZASUJLGF-UHFFFAOYSA-N 1 0 366.560 2.624 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001473970724 1065429290 /nfs/dbraw/zinc/42/92/90/1065429290.db2.gz ZLDMBYZNYHOFAV-HXUWFJFHSA-N 1 0 360.546 2.565 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(O)c1 ZINC001474593867 1065556924 /nfs/dbraw/zinc/55/69/24/1065556924.db2.gz AVFRNVPSVHQPER-KRWDZBQOSA-N 1 0 354.450 2.848 20 10 FFCDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001576385621 1078222839 /nfs/dbraw/zinc/22/28/39/1078222839.db2.gz ZXSSXSGGOXLRPF-KGLIPLIRSA-N 1 0 350.426 2.644 20 10 FFCDRO Cc1nn(C)c(C)c1[C@@H](O)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC001474750355 1065596430 /nfs/dbraw/zinc/59/64/30/1065596430.db2.gz ZUTJZAIVWALTKT-AWEZNQCLSA-N 1 0 368.275 2.637 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001576809453 1078276857 /nfs/dbraw/zinc/27/68/57/1078276857.db2.gz YPTHHRPHJSHMPX-QFBILLFUSA-N 1 0 352.482 2.836 20 10 FFCDRO CCCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1Cc1ccc2c(c1)CCCN2C ZINC001577501716 1078369429 /nfs/dbraw/zinc/36/94/29/1078369429.db2.gz REUOLIOYNMNLBD-SFHVURJKSA-N 1 0 368.529 2.980 20 10 FFCDRO CCc1nnc(N2CCC[C@@H]([C@H](C)[NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578317344 1078462578 /nfs/dbraw/zinc/46/25/78/1078462578.db2.gz KRIJUSQKEHJDKQ-GOEBONIOSA-N 1 0 374.508 2.658 20 10 FFCDRO C[NH2+]CCn1c(CC2CC2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 ZINC001578727714 1078524118 /nfs/dbraw/zinc/52/41/18/1078524118.db2.gz SCARRNQBDKDHJJ-UHFFFAOYSA-N 1 0 368.529 2.687 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001579590325 1078646781 /nfs/dbraw/zinc/64/67/81/1078646781.db2.gz XYEPSYLUSLIUDK-DYESRHJHSA-N 1 0 351.450 2.860 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001579590330 1078646936 /nfs/dbraw/zinc/64/69/36/1078646936.db2.gz XYEPSYLUSLIUDK-UWJYYQICSA-N 1 0 351.450 2.860 20 10 FFCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 ZINC001560283710 1076259980 /nfs/dbraw/zinc/25/99/80/1076259980.db2.gz HVPFKAJAJUJTIU-BJLQDIEVSA-N 1 0 359.514 2.682 20 10 FFCDRO CS(=O)(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC001560471970 1076275163 /nfs/dbraw/zinc/27/51/63/1076275163.db2.gz DWBUQLKLKXGGBN-UHFFFAOYSA-N 1 0 370.268 2.848 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560555265 1076279554 /nfs/dbraw/zinc/27/95/54/1076279554.db2.gz HJFQQCLXMKSGDG-QGZVFWFLSA-N 1 0 362.470 2.737 20 10 FFCDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC001560988050 1076316687 /nfs/dbraw/zinc/31/66/87/1076316687.db2.gz GLZMLNDCWUWNDS-ZBEGNZNMSA-N 1 0 354.244 2.930 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1Cc2ccccc2OCC1=O ZINC001561004889 1076319052 /nfs/dbraw/zinc/31/90/52/1076319052.db2.gz YOAMSPFURGOHQZ-UHFFFAOYSA-N 1 0 353.466 2.572 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001561040138 1076323394 /nfs/dbraw/zinc/32/33/94/1076323394.db2.gz KSBMXYANRXGPOI-DRUFCSCSSA-N 1 0 371.481 2.924 20 10 FFCDRO Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)cn1 ZINC001562518694 1076501141 /nfs/dbraw/zinc/50/11/41/1076501141.db2.gz WYHIDAKRHFHRCB-IBGZPJMESA-N 1 0 355.486 2.611 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)[NH+](C)C)cc1 ZINC001565125635 1076687755 /nfs/dbraw/zinc/68/77/55/1076687755.db2.gz UUQANTGADZSSIB-JKSUJKDBSA-N 1 0 368.472 2.946 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1C ZINC001569006773 1077122450 /nfs/dbraw/zinc/12/24/50/1077122450.db2.gz SDSIWHORRWJYPM-AYOQOUSVSA-N 1 0 360.498 2.661 20 10 FFCDRO CN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758223 507631723 /nfs/dbraw/zinc/63/17/23/507631723.db2.gz GLVZBOSMKHMBNA-UHFFFAOYSA-N 1 0 367.493 2.614 20 10 FFCDRO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000079497008 507968488 /nfs/dbraw/zinc/96/84/88/507968488.db2.gz UPNVJJNXTLNPQN-MRXNPFEDSA-N 1 0 353.466 2.980 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000091794735 508013768 /nfs/dbraw/zinc/01/37/68/508013768.db2.gz AKGPARBPVVMHDC-UHFFFAOYSA-N 1 0 351.248 2.663 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C1CCOCC1 ZINC000120082197 508923956 /nfs/dbraw/zinc/92/39/56/508923956.db2.gz QHULBQUXXOMWHZ-UHFFFAOYSA-N 1 0 352.862 2.553 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c(O)c1 ZINC000121585561 509179050 /nfs/dbraw/zinc/17/90/50/509179050.db2.gz OJWTXYWESYOLRA-UHFFFAOYSA-N 1 0 358.486 2.622 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)c1 ZINC000182394417 509213899 /nfs/dbraw/zinc/21/38/99/509213899.db2.gz SGWZNURPPSHJQR-BBRMVZONSA-N 1 0 356.422 2.866 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000179565246 509515686 /nfs/dbraw/zinc/51/56/86/509515686.db2.gz KONGUWLHDMHOAR-IBGZPJMESA-N 1 0 366.509 2.821 20 10 FFCDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000186128309 509535189 /nfs/dbraw/zinc/53/51/89/509535189.db2.gz QYTSEMHTHZSLNC-OAHLLOKOSA-N 1 0 360.498 2.949 20 10 FFCDRO O=S(=O)(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)c1cccs1 ZINC000179897600 509664747 /nfs/dbraw/zinc/66/47/47/509664747.db2.gz WZRWTHRTTYTQKO-UHFFFAOYSA-N 1 0 370.471 2.536 20 10 FFCDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000237630877 509696200 /nfs/dbraw/zinc/69/62/00/509696200.db2.gz HKIQBNOCKGBWOT-CALCHBBNSA-N 1 0 367.493 2.737 20 10 FFCDRO CN1CCN(C(=O)c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cc2)CC1 ZINC000264989241 509811574 /nfs/dbraw/zinc/81/15/74/509811574.db2.gz WRJWBLSWWAZQGL-UHFFFAOYSA-N 1 0 373.884 2.723 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000180640662 510028893 /nfs/dbraw/zinc/02/88/93/510028893.db2.gz RUMBGCJRGVSCNO-VQHVLOKHSA-N 1 0 352.434 2.676 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180752153 510091860 /nfs/dbraw/zinc/09/18/60/510091860.db2.gz LLZUECCZGMIDAE-QRBZPYHOSA-N 1 0 366.461 2.792 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(NC=O)cc3)c2)CC1 ZINC000187404277 510245921 /nfs/dbraw/zinc/24/59/21/510245921.db2.gz TWDZFDJKGSCLLC-UHFFFAOYSA-N 1 0 352.438 2.649 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)c3cccnc3)cc2F)CC1 ZINC000174682360 510249156 /nfs/dbraw/zinc/24/91/56/510249156.db2.gz JOOYMHLUBGUJSY-MRXNPFEDSA-N 1 0 370.472 2.783 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000178028092 510385276 /nfs/dbraw/zinc/38/52/76/510385276.db2.gz JNPCNJSUPFBVOC-HNNXBMFYSA-N 1 0 371.481 2.866 20 10 FFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000184698005 510469128 /nfs/dbraw/zinc/46/91/28/510469128.db2.gz JOMDNXDBSDCQLN-HZPDHXFCSA-N 1 0 355.862 2.806 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000191565156 510724730 /nfs/dbraw/zinc/72/47/30/510724730.db2.gz BOEXRCRVPHWDJQ-LLVKDONJSA-N 1 0 350.440 2.927 20 10 FFCDRO OCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CCOCC1 ZINC000276045968 510924840 /nfs/dbraw/zinc/92/48/40/510924840.db2.gz TUCRBBSTTWUZTQ-UHFFFAOYSA-N 1 0 357.450 2.945 20 10 FFCDRO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(C)cc1O ZINC000285657900 510998600 /nfs/dbraw/zinc/99/86/00/510998600.db2.gz MAHSYOMWGUAOHY-PHSGOXPASA-N 1 0 359.514 2.825 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000278550304 510998876 /nfs/dbraw/zinc/99/88/76/510998876.db2.gz YYTVVYKGSILHJX-JSGCOSHPSA-N 1 0 364.442 2.999 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000288484128 511077625 /nfs/dbraw/zinc/07/76/25/511077625.db2.gz GRPGFTWYEAIONK-CJNGLKHVSA-N 1 0 350.212 2.739 20 10 FFCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c(=O)n1C ZINC000279488724 511102123 /nfs/dbraw/zinc/10/21/23/511102123.db2.gz LKEKWARZJOTFKV-OAHLLOKOSA-N 1 0 359.445 2.520 20 10 FFCDRO COc1cccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1O ZINC000289692377 511109221 /nfs/dbraw/zinc/10/92/21/511109221.db2.gz FNRPSQDLSJAXBC-UHFFFAOYSA-N 1 0 371.481 2.520 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1SC ZINC000298596201 511341825 /nfs/dbraw/zinc/34/18/25/511341825.db2.gz YSUQOUVHJZDCBO-ZCNNSNEGSA-N 1 0 364.555 2.894 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298709013 511383405 /nfs/dbraw/zinc/38/34/05/511383405.db2.gz GFKYLBSNNIXWDE-GUDVDZBRSA-N 1 0 373.497 2.710 20 10 FFCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000272267396 511485024 /nfs/dbraw/zinc/48/50/24/511485024.db2.gz AMUAPEMPVGPPGM-QGZVFWFLSA-N 1 0 373.419 2.676 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000272267393 511485451 /nfs/dbraw/zinc/48/54/51/511485451.db2.gz AMUAPEMPVGPPGM-KRWDZBQOSA-N 1 0 373.419 2.676 20 10 FFCDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000283798901 511502698 /nfs/dbraw/zinc/50/26/98/511502698.db2.gz AFDLFEGHMOVACT-LBPRGKRZSA-N 1 0 363.435 2.765 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231947 511691805 /nfs/dbraw/zinc/69/18/05/511691805.db2.gz FVOLKPZRJHYFRM-CYBMUJFWSA-N 1 0 358.833 2.788 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000296365048 511714800 /nfs/dbraw/zinc/71/48/00/511714800.db2.gz JTDMZZJPZNZSFR-GOSISDBHSA-N 1 0 359.514 2.509 20 10 FFCDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000296439096 511743492 /nfs/dbraw/zinc/74/34/92/511743492.db2.gz MFNFBEKEZDJYIQ-KXBFYZLASA-N 1 0 365.493 2.816 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1O ZINC000366268828 511930899 /nfs/dbraw/zinc/93/08/99/511930899.db2.gz MBMICXVWDJYZIF-INIZCTEOSA-N 1 0 351.834 2.723 20 10 FFCDRO Cn1ncc(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000293514951 511994028 /nfs/dbraw/zinc/99/40/28/511994028.db2.gz AMJJHDMKKUVAIB-UHFFFAOYSA-N 1 0 352.438 2.822 20 10 FFCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000293633237 512032875 /nfs/dbraw/zinc/03/28/75/512032875.db2.gz LQSNDVXXNMEYGX-IBGZPJMESA-N 1 0 359.466 2.843 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000369601225 512505694 /nfs/dbraw/zinc/50/56/94/512505694.db2.gz YQNIAZUGNFGQOM-OXQOHEQNSA-N 1 0 356.466 2.780 20 10 FFCDRO CN1CCC2(CC[NH+](Cc3cc(Br)ccc3O)CC2)C1=O ZINC000376057369 512639761 /nfs/dbraw/zinc/63/97/61/512639761.db2.gz YVPPBPDVSUEFFD-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1O ZINC000374160529 512684777 /nfs/dbraw/zinc/68/47/77/512684777.db2.gz SGLGROWVALEONH-KURKYZTESA-N 1 0 352.434 2.647 20 10 FFCDRO C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378429811 512754994 /nfs/dbraw/zinc/75/49/94/512754994.db2.gz TWLLJQOCNHBUBM-APHBMKBZSA-N 1 0 352.862 2.551 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368619088 513029942 /nfs/dbraw/zinc/02/99/42/513029942.db2.gz YEZLJKOFZRCPFY-FQEVSTJZSA-N 1 0 366.509 2.671 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000425515360 513613881 /nfs/dbraw/zinc/61/38/81/513613881.db2.gz KWRFNBYWWDHZQN-UHFFFAOYSA-N 1 0 372.513 2.739 20 10 FFCDRO [O-]c1c(Br)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249740 517656339 /nfs/dbraw/zinc/65/63/39/517656339.db2.gz YKJOCGVIDPINHQ-HNNXBMFYSA-N 1 0 369.303 2.745 20 10 FFCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)C(=O)N1CCCC1 ZINC000527809166 517926009 /nfs/dbraw/zinc/92/60/09/517926009.db2.gz JUFYDAJIKDFNHY-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000826263736 607846582 /nfs/dbraw/zinc/84/65/82/607846582.db2.gz OLFBGFGTKBKAEL-UHFFFAOYSA-N 1 0 364.453 2.511 20 10 FFCDRO Cc1nsc(N2CCC[N@H+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000743382388 735294021 /nfs/dbraw/zinc/29/40/21/735294021.db2.gz PUEMVKQZQKAHTC-UHFFFAOYSA-N 1 0 355.467 2.813 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000898284206 735336257 /nfs/dbraw/zinc/33/62/57/735336257.db2.gz IHKFMVWZHXKQMW-CYBMUJFWSA-N 1 0 364.467 2.647 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 ZINC000898398993 735355540 /nfs/dbraw/zinc/35/55/40/735355540.db2.gz LUFIZOCCZQCDHB-RUZDIDTESA-N 1 0 369.531 2.577 20 10 FFCDRO O=C(NCC[NH+]1CCCCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000045196066 727998941 /nfs/dbraw/zinc/99/89/41/727998941.db2.gz FMFGWIVBUSZNCV-UHFFFAOYSA-N 1 0 362.543 2.525 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000066978863 728179432 /nfs/dbraw/zinc/17/94/32/728179432.db2.gz FEHUDGQEBXQSGA-INIZCTEOSA-N 1 0 350.482 2.813 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000090582177 728451576 /nfs/dbraw/zinc/45/15/76/728451576.db2.gz QRPVIENVHZNQBJ-CQSZACIVSA-N 1 0 367.540 2.752 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000090796877 728452148 /nfs/dbraw/zinc/45/21/48/728452148.db2.gz LCWUWTRSCKUEAT-IAGOWNOFSA-N 1 0 365.543 2.609 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000132238930 728723984 /nfs/dbraw/zinc/72/39/84/728723984.db2.gz MCRSONCIELYLFJ-LBPRGKRZSA-N 1 0 371.553 2.884 20 10 FFCDRO CCc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134264404 728729341 /nfs/dbraw/zinc/72/93/41/728729341.db2.gz LELBFOAWPVZGJP-HNNXBMFYSA-N 1 0 362.861 2.726 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000151452309 728745535 /nfs/dbraw/zinc/74/55/35/728745535.db2.gz SFHUBLFGAWVWGG-APWZRJJASA-N 1 0 366.502 2.807 20 10 FFCDRO COCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000778913832 738420741 /nfs/dbraw/zinc/42/07/41/738420741.db2.gz FRNCZANZPWZHFO-OAHLLOKOSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(F)ccc1O ZINC000184964937 729338089 /nfs/dbraw/zinc/33/80/89/729338089.db2.gz GYXPFNNFNYOBSQ-GFCCVEGCSA-N 1 0 352.431 2.632 20 10 FFCDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000186858512 729369781 /nfs/dbraw/zinc/36/97/81/729369781.db2.gz NEPACPSFWQJWNO-HNNXBMFYSA-N 1 0 372.506 2.528 20 10 FFCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000188846130 729392233 /nfs/dbraw/zinc/39/22/33/729392233.db2.gz BSHRHBFRWBEUCY-CQSZACIVSA-N 1 0 350.503 2.672 20 10 FFCDRO C[C@@]([NH3+])(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000192520616 729451696 /nfs/dbraw/zinc/45/16/96/729451696.db2.gz JNUASJSYNXGCKI-FQEVSTJZSA-N 1 0 355.507 2.730 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000779019443 738429776 /nfs/dbraw/zinc/42/97/76/738429776.db2.gz RVUPKJPMKVLLPV-FZMZJTMJSA-N 1 0 358.276 2.901 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000856596200 730346892 /nfs/dbraw/zinc/34/68/92/730346892.db2.gz AFDXMOSCEBFVSX-GOSISDBHSA-N 1 0 365.861 2.869 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)n1 ZINC000856597063 730346897 /nfs/dbraw/zinc/34/68/97/730346897.db2.gz RNADFCLHGFTZCD-GOSISDBHSA-N 1 0 365.861 2.869 20 10 FFCDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2c(O)cccc2Br)CC1=O ZINC000858195417 730419416 /nfs/dbraw/zinc/41/94/16/730419416.db2.gz VWXWWPQCMHALFB-LLVKDONJSA-N 1 0 355.276 2.891 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000858465896 730426524 /nfs/dbraw/zinc/42/65/24/730426524.db2.gz PHRXTOONYUKNFY-VQIMIIECSA-N 1 0 368.905 2.702 20 10 FFCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000858767008 730433231 /nfs/dbraw/zinc/43/32/31/730433231.db2.gz YUBJHZAEOVRFTI-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859411612 730453759 /nfs/dbraw/zinc/45/37/59/730453759.db2.gz LNEUCQSFJUFEMI-GJZGRUSLSA-N 1 0 353.457 2.934 20 10 FFCDRO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)C1(F)F ZINC000859411611 730453793 /nfs/dbraw/zinc/45/37/93/730453793.db2.gz LNEUCQSFJUFEMI-GASCZTMLSA-N 1 0 353.457 2.934 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000862321744 730687349 /nfs/dbraw/zinc/68/73/49/730687349.db2.gz CWUFFRZDJIFLQB-UHFFFAOYSA-N 1 0 356.260 2.784 20 10 FFCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862368407 730692862 /nfs/dbraw/zinc/69/28/62/730692862.db2.gz HETDUFGOVSMTGJ-CYBMUJFWSA-N 1 0 355.276 2.893 20 10 FFCDRO COC(=O)[C@]1(OC)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000862475141 730703995 /nfs/dbraw/zinc/70/39/95/730703995.db2.gz AJYWBXFGQHIUTK-INIZCTEOSA-N 1 0 360.376 2.535 20 10 FFCDRO Brc1cc(C[NH2+]C[C@H]2COCCN2)ccc1N1CCCCC1 ZINC000863649729 730799053 /nfs/dbraw/zinc/79/90/53/730799053.db2.gz HBEAPFWNDCIEKY-HNNXBMFYSA-N 1 0 368.319 2.517 20 10 FFCDRO C[N@@H+]1CCC[C@H](CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925320698 738496726 /nfs/dbraw/zinc/49/67/26/738496726.db2.gz GHFPQWNPOIBDNN-CYBMUJFWSA-N 1 0 365.861 2.542 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925328434 738497109 /nfs/dbraw/zinc/49/71/09/738497109.db2.gz XWQJCVUGSTYALY-BXUZGUMPSA-N 1 0 370.291 2.779 20 10 FFCDRO COCCc1ncc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000865609579 730976497 /nfs/dbraw/zinc/97/64/97/730976497.db2.gz YANYALNUKQKCAE-OAHLLOKOSA-N 1 0 361.511 2.957 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2c(I)cnn2C)c1 ZINC000866632494 731082180 /nfs/dbraw/zinc/08/21/80/731082180.db2.gz ZXWPOXDUBWIKDH-JTQLQIEISA-N 1 0 371.222 2.890 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795795 731832327 /nfs/dbraw/zinc/83/23/27/731832327.db2.gz NZGNEHSTVUCHOZ-HIFRSBDPSA-N 1 0 367.511 2.565 20 10 FFCDRO CO[C@H](C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1 ZINC000877033832 732315386 /nfs/dbraw/zinc/31/53/86/732315386.db2.gz OLLPCHDQACNOIS-POZUXBRTSA-N 1 0 368.905 2.651 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000877450917 732363434 /nfs/dbraw/zinc/36/34/34/732363434.db2.gz IANZQXYYVNBKMT-DLBZAZTESA-N 1 0 356.495 2.625 20 10 FFCDRO C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877535703 732383109 /nfs/dbraw/zinc/38/31/09/732383109.db2.gz RINKHONYKAVZSI-UHFFFAOYSA-N 1 0 351.397 2.686 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)cc2)CC1 ZINC000877543018 732384454 /nfs/dbraw/zinc/38/44/54/732384454.db2.gz VENVDVMEYXVREZ-GOSISDBHSA-N 1 0 360.889 2.945 20 10 FFCDRO COC(=O)c1csc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877637356 732402736 /nfs/dbraw/zinc/40/27/36/732402736.db2.gz SGMHDGHWIGPWIP-UHFFFAOYSA-N 1 0 360.479 2.786 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000877674845 732410039 /nfs/dbraw/zinc/41/00/39/732410039.db2.gz NLPPMFFNIZWORH-NSHDSACASA-N 1 0 365.153 2.639 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)c1ccccc1O ZINC000879649090 732742554 /nfs/dbraw/zinc/74/25/54/732742554.db2.gz ICKIOGLFLFLWIM-AZOIQLNYSA-N 1 0 350.459 2.803 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883368034 733375464 /nfs/dbraw/zinc/37/54/64/733375464.db2.gz DZDAIEKBVRDYAQ-VIFPVBQESA-N 1 0 364.108 2.803 20 10 FFCDRO CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883473320 733390115 /nfs/dbraw/zinc/39/01/15/733390115.db2.gz WCVSQQWKIUGXBA-FUHWJXTLSA-N 1 0 362.543 2.522 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725897642 734398287 /nfs/dbraw/zinc/39/82/87/734398287.db2.gz SSXRWHAQYOAIIK-JKSUJKDBSA-N 1 0 359.495 2.749 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)nc2F)[NH+](C)C)cc1 ZINC000891247241 734404127 /nfs/dbraw/zinc/40/41/27/734404127.db2.gz RXFHUGYLNXKXTK-HNNXBMFYSA-N 1 0 364.852 2.973 20 10 FFCDRO Cc1nc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891253508 734405500 /nfs/dbraw/zinc/40/55/00/734405500.db2.gz UANVKDJZMGHSEX-SFHVURJKSA-N 1 0 360.527 2.869 20 10 FFCDRO CC[N@H+](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000726706289 734441436 /nfs/dbraw/zinc/44/14/36/734441436.db2.gz GDBPXDOZCHTKLB-UHFFFAOYSA-N 1 0 364.559 2.769 20 10 FFCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892241887 734531853 /nfs/dbraw/zinc/53/18/53/734531853.db2.gz XQKRIZYUCGCOAE-AWEZNQCLSA-N 1 0 351.443 2.965 20 10 FFCDRO F[C@H]1CC2(CC[C@H]1[NH2+]Cc1ccc(N3CCSCC3)cc1)OCCO2 ZINC000892613002 734580448 /nfs/dbraw/zinc/58/04/48/734580448.db2.gz PUVNGDHCXNSDJZ-ZWKOTPCHSA-N 1 0 366.502 2.963 20 10 FFCDRO CC(C)[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCCC1 ZINC000729605572 734585884 /nfs/dbraw/zinc/58/58/84/734585884.db2.gz QVCNUSREXNTMQT-GOSISDBHSA-N 1 0 350.482 2.811 20 10 FFCDRO CCCCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730111048 734616480 /nfs/dbraw/zinc/61/64/80/734616480.db2.gz CGLLHZFAUKSKGL-UHFFFAOYSA-N 1 0 350.482 2.957 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCSCC2)ccc1N1CCCCC1 ZINC000732823268 734768384 /nfs/dbraw/zinc/76/83/84/734768384.db2.gz YWKKOHZPDQQZRB-UHFFFAOYSA-N 1 0 364.515 2.724 20 10 FFCDRO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000895635026 735034479 /nfs/dbraw/zinc/03/44/79/735034479.db2.gz PLWNLNOJASLSLV-IBGZPJMESA-N 1 0 363.841 2.986 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000740900030 735097515 /nfs/dbraw/zinc/09/75/15/735097515.db2.gz IWTRBRIFELYZLU-STQMWFEESA-N 1 0 362.289 2.600 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2ccccc2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000897526297 735243000 /nfs/dbraw/zinc/24/30/00/735243000.db2.gz YUXUOUBXXWSXIF-GOSISDBHSA-N 1 0 361.511 2.871 20 10 FFCDRO CCOC(=O)N1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750043841 735767653 /nfs/dbraw/zinc/76/76/53/735767653.db2.gz HPGBMBWXSZJJFB-UHFFFAOYSA-N 1 0 354.834 2.912 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1O ZINC000750045908 735768331 /nfs/dbraw/zinc/76/83/31/735768331.db2.gz PZOZRROUFXYQKD-KRWDZBQOSA-N 1 0 366.889 2.935 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)C1CCCCC1 ZINC000789348117 739340525 /nfs/dbraw/zinc/34/05/25/739340525.db2.gz JUVIWFKEXSMLSQ-QGZVFWFLSA-N 1 0 355.862 2.962 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3nc(CN(C)C)cs3)CC2)cc1 ZINC000903226655 736060250 /nfs/dbraw/zinc/06/02/50/736060250.db2.gz OSYVCPMSGMNLKQ-UHFFFAOYSA-N 1 0 360.527 2.972 20 10 FFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903299560 736072662 /nfs/dbraw/zinc/07/26/62/736072662.db2.gz OVEHOPDSICYWHP-FSPWUOQZSA-N 1 0 354.878 2.631 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1O ZINC000903424328 736091584 /nfs/dbraw/zinc/09/15/84/736091584.db2.gz RJVDKXXNQWMANE-CYBMUJFWSA-N 1 0 364.467 2.647 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccc(C)s1)cc2=O ZINC000754659793 736184331 /nfs/dbraw/zinc/18/43/31/736184331.db2.gz BPZQQMQXXIIEJI-NSHDSACASA-N 1 0 360.439 2.832 20 10 FFCDRO Nc1ccc(Cc2nc(-c3nc(CC4CC[NH2+]CC4)no3)cs2)cc1 ZINC000905317936 736326654 /nfs/dbraw/zinc/32/66/54/736326654.db2.gz VKZDHYKZKILLRI-UHFFFAOYSA-N 1 0 355.467 2.908 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756411890 736329280 /nfs/dbraw/zinc/32/92/80/736329280.db2.gz QYHBHKUTYYDXJB-IUODEOHRSA-N 1 0 370.490 2.873 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2c1c(F)ccc2O ZINC000756746266 736357499 /nfs/dbraw/zinc/35/74/99/736357499.db2.gz IUDZFPWXPBMEQS-XHDPSFHLSA-N 1 0 368.474 2.626 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756761282 736359573 /nfs/dbraw/zinc/35/95/73/736359573.db2.gz SZUBIACSHFSUSF-DRZSPHRISA-N 1 0 356.463 2.811 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762616073 736845366 /nfs/dbraw/zinc/84/53/66/736845366.db2.gz PUPRVRFLYIEVIM-SQNIBIBYSA-N 1 0 350.553 2.992 20 10 FFCDRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(Br)cc1O ZINC000763560020 736948044 /nfs/dbraw/zinc/94/80/44/736948044.db2.gz YZUOXKGTNXCJPH-XHDPSFHLSA-N 1 0 358.276 2.983 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913680859 737430574 /nfs/dbraw/zinc/43/05/74/737430574.db2.gz GZHGGCYMEPVBFV-UHFFFAOYSA-N 1 0 361.511 2.684 20 10 FFCDRO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911621 737476331 /nfs/dbraw/zinc/47/63/31/737476331.db2.gz GJTAHJOKYKSBSW-CZUORRHYSA-N 1 0 362.861 2.584 20 10 FFCDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000914570646 737584260 /nfs/dbraw/zinc/58/42/60/737584260.db2.gz ZYTHSTMNAYFIKP-UHFFFAOYSA-N 1 0 356.388 2.771 20 10 FFCDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000772986351 737861927 /nfs/dbraw/zinc/86/19/27/737861927.db2.gz VFKXPAULXLTMFY-NFOMZHRRSA-N 1 0 365.905 2.871 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000773018172 737863948 /nfs/dbraw/zinc/86/39/48/737863948.db2.gz VFNYBZZGNYWGOC-KVSKMBFKSA-N 1 0 366.527 2.530 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000773051656 737866283 /nfs/dbraw/zinc/86/62/83/737866283.db2.gz LZSOXCSLDGRWSW-SJORKVTESA-N 1 0 353.532 2.935 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000773075672 737868970 /nfs/dbraw/zinc/86/89/70/737868970.db2.gz YVBKLDQHQACNGH-YZVOILCLSA-N 1 0 367.921 2.546 20 10 FFCDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773121291 737873335 /nfs/dbraw/zinc/87/33/35/737873335.db2.gz YKFGKTJNZYCZLK-XHDPSFHLSA-N 1 0 350.356 2.626 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000775527283 738099284 /nfs/dbraw/zinc/09/92/84/738099284.db2.gz PWQIXNIILMTWQB-HOTGVXAUSA-N 1 0 352.862 2.866 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1O ZINC000775537529 738100394 /nfs/dbraw/zinc/10/03/94/738100394.db2.gz ZWVRCUVHOAHLTD-VZSAFFHGSA-N 1 0 365.861 2.807 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775833740 738129919 /nfs/dbraw/zinc/12/99/19/738129919.db2.gz LBCLLDJLFNOCDM-KUHUBIRLSA-N 1 0 362.495 2.540 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)cc1C ZINC000922451886 738147930 /nfs/dbraw/zinc/14/79/30/738147930.db2.gz JUIWFMPGPUBBKM-UHFFFAOYSA-N 1 0 362.495 2.685 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000776247156 738174067 /nfs/dbraw/zinc/17/40/67/738174067.db2.gz ADSQMKPJNCGBOF-LBPRGKRZSA-N 1 0 354.244 2.997 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000788566047 739259450 /nfs/dbraw/zinc/25/94/50/739259450.db2.gz YAHDNLOUYMHKTD-LPHOPBHVSA-N 1 0 350.528 2.868 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792975388 739725543 /nfs/dbraw/zinc/72/55/43/739725543.db2.gz HROAVYWHGNKMQH-LLVKDONJSA-N 1 0 352.422 2.684 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000793003901 739729696 /nfs/dbraw/zinc/72/96/96/739729696.db2.gz HDPNPSZOHQTUGQ-UHFFFAOYSA-N 1 0 352.422 2.684 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000793366024 739774271 /nfs/dbraw/zinc/77/42/71/739774271.db2.gz MHHIVVFBOBMIEO-UHFFFAOYSA-N 1 0 351.443 2.583 20 10 FFCDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000794803785 739932230 /nfs/dbraw/zinc/93/22/30/739932230.db2.gz KJQUXJMHRJNTIQ-AWEZNQCLSA-N 1 0 360.479 2.737 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000794830560 739934410 /nfs/dbraw/zinc/93/44/10/739934410.db2.gz XVWYHGQLGHDDBW-SNVBAGLBSA-N 1 0 362.289 2.691 20 10 FFCDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)c1ccccc1O ZINC000797113574 740213248 /nfs/dbraw/zinc/21/32/48/740213248.db2.gz LHIAEASOOABLNM-ZDUSSCGKSA-N 1 0 368.886 2.983 20 10 FFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805181915 740947971 /nfs/dbraw/zinc/94/79/71/740947971.db2.gz QSVKKBFYYOFUAM-GFCCVEGCSA-N 1 0 370.291 2.828 20 10 FFCDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808674170 741251325 /nfs/dbraw/zinc/25/13/25/741251325.db2.gz BHGIHKCQLQXECM-GFCCVEGCSA-N 1 0 360.907 2.819 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000808711339 741254982 /nfs/dbraw/zinc/25/49/82/741254982.db2.gz CJKVFTYWIARSKB-IUUKEHGRSA-N 1 0 365.861 2.725 20 10 FFCDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000809609921 741321331 /nfs/dbraw/zinc/32/13/31/741321331.db2.gz RWRHFRYLUPIIAS-GFCCVEGCSA-N 1 0 365.474 2.586 20 10 FFCDRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809708036 741335011 /nfs/dbraw/zinc/33/50/11/741335011.db2.gz WEDWXBHVTMIULQ-HZPDHXFCSA-N 1 0 368.861 2.915 20 10 FFCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c1O ZINC000809714027 741335841 /nfs/dbraw/zinc/33/58/41/741335841.db2.gz VOXHUQSZIAWOGE-UHFFFAOYSA-N 1 0 368.886 2.731 20 10 FFCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809713272 741335974 /nfs/dbraw/zinc/33/59/74/741335974.db2.gz GADSNWKKTIOAKQ-UHFFFAOYSA-N 1 0 350.459 2.634 20 10 FFCDRO CCOC(=O)COCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000809950070 741365458 /nfs/dbraw/zinc/36/54/58/741365458.db2.gz BXOIWJYSABDEBO-UHFFFAOYSA-N 1 0 360.248 2.556 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000810252270 741401770 /nfs/dbraw/zinc/40/17/70/741401770.db2.gz MVAKJMPLWBUNMP-ZDUSSCGKSA-N 1 0 352.500 2.657 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2cccc(Br)c2O)C1 ZINC000811459490 741525717 /nfs/dbraw/zinc/52/57/17/741525717.db2.gz FWONIKLXNTYKAM-INIZCTEOSA-N 1 0 373.266 2.983 20 10 FFCDRO CSC1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH+](C)CC1 ZINC000811940942 741576074 /nfs/dbraw/zinc/57/60/74/741576074.db2.gz WYKJQWHAXRWRIX-UHFFFAOYSA-N 1 0 368.522 2.518 20 10 FFCDRO COCCC[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCS(=O)(=O)C1 ZINC000816482586 742032847 /nfs/dbraw/zinc/03/28/47/742032847.db2.gz LNRJFBHONKOSLV-KRWDZBQOSA-N 1 0 363.479 2.571 20 10 FFCDRO Cc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)c(C)n1-c1cccc(Cl)c1 ZINC000818021353 742230994 /nfs/dbraw/zinc/23/09/94/742230994.db2.gz ZPDJWWSBYNHQQK-UHFFFAOYSA-N 1 0 361.873 2.673 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCSCC2)cc1)Nc1cccnc1 ZINC000818963975 742316320 /nfs/dbraw/zinc/31/63/20/742316320.db2.gz HDYHOCMSCFNEIN-UHFFFAOYSA-N 1 0 356.495 2.753 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)COCc2ccccc2F)cc1F ZINC000818984533 742320796 /nfs/dbraw/zinc/32/07/96/742320796.db2.gz AYDLPPBJQITVMV-INIZCTEOSA-N 1 0 350.409 2.698 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(Br)cc2O)CC1)C1CC1 ZINC000824548201 743102362 /nfs/dbraw/zinc/10/23/62/743102362.db2.gz JTPQMDBRQFWVBN-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824654139 743123510 /nfs/dbraw/zinc/12/35/10/743123510.db2.gz KUKKAHPKHTWYGM-DAXOMENPSA-N 1 0 370.287 2.825 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)ccc1OC ZINC000824790511 743148715 /nfs/dbraw/zinc/14/87/15/743148715.db2.gz WDZIWJWAPSYCOH-UHFFFAOYSA-N 1 0 363.479 2.925 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000825090524 743207841 /nfs/dbraw/zinc/20/78/41/743207841.db2.gz XDCAOWWBQYDEEK-AWEZNQCLSA-N 1 0 352.228 2.684 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825278472 743240103 /nfs/dbraw/zinc/24/01/03/743240103.db2.gz CQLJACVIWHPRQC-AWEZNQCLSA-N 1 0 370.291 2.699 20 10 FFCDRO CCOC(=O)CC1([NH2+]Cc2ccc(Br)cc2O)CCOCC1 ZINC000827757543 744972271 /nfs/dbraw/zinc/97/22/71/744972271.db2.gz DPXCLNWFJHBRGH-UHFFFAOYSA-N 1 0 372.259 2.747 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000827775211 744975541 /nfs/dbraw/zinc/97/55/41/744975541.db2.gz DRDZVCIPVAGGST-ZIAGYGMSSA-N 1 0 354.422 2.838 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000830783531 745429965 /nfs/dbraw/zinc/42/99/65/745429965.db2.gz LWHAXMMLMMEXNA-OAHLLOKOSA-N 1 0 358.511 2.730 20 10 FFCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834903529 745921695 /nfs/dbraw/zinc/92/16/95/745921695.db2.gz IPBDUSDCGORRRQ-MORSLUCNSA-N 1 0 354.878 2.631 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCc2cnc(C)cn2)c1O ZINC000835061566 745941944 /nfs/dbraw/zinc/94/19/44/745941944.db2.gz MYFZYKGUGPLBAC-UHFFFAOYSA-N 1 0 352.232 2.594 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835075705 745945792 /nfs/dbraw/zinc/94/57/92/745945792.db2.gz ZOXCLAVCWZWGMV-KBPBESRZSA-N 1 0 353.260 2.706 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c1O ZINC000839173607 746793097 /nfs/dbraw/zinc/79/30/97/746793097.db2.gz OMTYXVNZGWXJDW-OAHLLOKOSA-N 1 0 355.862 2.859 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=S)NCC1CC[NH+](C)CC1 ZINC000840869032 747207587 /nfs/dbraw/zinc/20/75/87/747207587.db2.gz KSUFCBJSQIDCNY-MRXNPFEDSA-N 1 0 362.587 2.798 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(Cl)c1 ZINC000840947812 747238612 /nfs/dbraw/zinc/23/86/12/747238612.db2.gz GPTLPESZIVINQK-WFASDCNBSA-N 1 0 360.907 2.552 20 10 FFCDRO Cc1cc(O)c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(Cl)c1 ZINC000840951107 747239821 /nfs/dbraw/zinc/23/98/21/747239821.db2.gz SLCRMUXXNQKGRU-GFCCVEGCSA-N 1 0 358.866 2.671 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841076300 747264523 /nfs/dbraw/zinc/26/45/23/747264523.db2.gz CWLFPVCGRIIWMP-RNFRBKRXSA-N 1 0 352.070 2.743 20 10 FFCDRO COc1cc(Br)cc(CN[C@@H](CC[NH3+])C(F)(F)F)c1O ZINC000841091412 747267317 /nfs/dbraw/zinc/26/73/17/747267317.db2.gz ZAFXFMARTZMDIQ-JTQLQIEISA-N 1 0 357.170 2.533 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1F ZINC000841799348 747463566 /nfs/dbraw/zinc/46/35/66/747463566.db2.gz SWNZTWZNBRSTNZ-OAHLLOKOSA-N 1 0 350.482 2.942 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000841858359 747477942 /nfs/dbraw/zinc/47/79/42/747477942.db2.gz WZVLVUZYSIBTPR-CQSZACIVSA-N 1 0 354.545 2.656 20 10 FFCDRO [NH3+]C1(CNC(=O)NCc2cccc(Br)c2O)CCCCC1 ZINC000841923663 747486901 /nfs/dbraw/zinc/48/69/01/747486901.db2.gz BUOYMSUKDMJCQG-UHFFFAOYSA-N 1 0 356.264 2.616 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccc(Br)cc1 ZINC000843482715 747843458 /nfs/dbraw/zinc/84/34/58/747843458.db2.gz HXJFWVXIKCVLDN-FVQHAEBGSA-N 1 0 374.282 2.804 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[NH2+]C4(CCC4)C3)cs2)cc1 ZINC000843502570 747845669 /nfs/dbraw/zinc/84/56/69/747845669.db2.gz FFLWVPWPOUNQNT-OAHLLOKOSA-N 1 0 356.495 2.721 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Cl)cc(S(N)(=O)=O)c2)c1 ZINC000844314236 748002161 /nfs/dbraw/zinc/00/21/61/748002161.db2.gz YGDXIVWFFDXAHM-SNVBAGLBSA-N 1 0 370.858 2.552 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844433395 748029152 /nfs/dbraw/zinc/02/91/52/748029152.db2.gz FVQVGGJWQBRXNP-SFHVURJKSA-N 1 0 351.441 2.832 20 10 FFCDRO [NH3+]CCC1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000846135442 748413745 /nfs/dbraw/zinc/41/37/45/748413745.db2.gz CTYCCPTZQCFLCL-UHFFFAOYSA-N 1 0 362.543 2.510 20 10 FFCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000846209418 748431221 /nfs/dbraw/zinc/43/12/21/748431221.db2.gz RCYYJQCWAPGVOJ-VXGBXAGGSA-N 1 0 355.276 2.982 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)c(F)c2)cc1 ZINC000846232231 748436165 /nfs/dbraw/zinc/43/61/65/748436165.db2.gz WEPZFZIUBZAEGB-INIZCTEOSA-N 1 0 371.865 2.523 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC4CCC3(C[NH3+])CC4)cs2)cc1 ZINC000846679589 748523473 /nfs/dbraw/zinc/52/34/73/748523473.db2.gz KPAORERXYTYPRZ-UHFFFAOYSA-N 1 0 356.495 2.660 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000848524763 748949484 /nfs/dbraw/zinc/94/94/84/748949484.db2.gz MAIVPACVFMQUHY-RYUDHWBXSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)c1O ZINC000848536882 748953452 /nfs/dbraw/zinc/95/34/52/748953452.db2.gz XVXMAMRFCRUVLH-QDDONVENSA-N 1 0 364.305 2.971 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000848536281 748953621 /nfs/dbraw/zinc/95/36/21/748953621.db2.gz PICANRCULAUEFW-RWSFTLGLSA-N 1 0 373.291 2.533 20 10 FFCDRO CCc1cccc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000848901382 749030342 /nfs/dbraw/zinc/03/03/42/749030342.db2.gz YSAZJYKHPSIKNW-MRXNPFEDSA-N 1 0 357.376 2.618 20 10 FFCDRO COc1cc(C[NH2+]C2(CCO)CCN(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850340770 749344640 /nfs/dbraw/zinc/34/46/40/749344640.db2.gz ZWBITHWLTRMXLX-UHFFFAOYSA-N 1 0 350.503 2.635 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1C ZINC000850355863 749351407 /nfs/dbraw/zinc/35/14/07/749351407.db2.gz MELDGVAFQRUKLS-JFIYKMOQSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1C ZINC000850355866 749351450 /nfs/dbraw/zinc/35/14/50/749351450.db2.gz MELDGVAFQRUKLS-SOLBZPMBSA-N 1 0 350.528 2.836 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000850406565 749360990 /nfs/dbraw/zinc/36/09/90/749360990.db2.gz LUABBOXEQKAVNR-PBHICJAKSA-N 1 0 358.404 2.847 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C=C1CC[NH2+]CC1 ZINC000852851934 749964966 /nfs/dbraw/zinc/96/49/66/749964966.db2.gz YKFQASGCWIPMRO-UHFFFAOYSA-N 1 0 353.260 2.813 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCC1 ZINC000895815238 970981538 /nfs/dbraw/zinc/98/15/38/970981538.db2.gz YSKRCHJGBVETDY-FQEVSTJZSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895814398 970981832 /nfs/dbraw/zinc/98/18/32/970981832.db2.gz RLABNHATENXDSZ-UHFFFAOYSA-N 1 0 353.466 2.692 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000182399201 971024930 /nfs/dbraw/zinc/02/49/30/971024930.db2.gz QMWCSTVTVYNDMK-GFCCVEGCSA-N 1 0 371.393 2.549 20 10 FFCDRO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cccc1Cl ZINC001275837655 1013067566 /nfs/dbraw/zinc/06/75/66/1013067566.db2.gz LCVYBBFLHBWKDE-HFBAOOFYSA-N 1 0 350.846 2.588 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)ncn1 ZINC000185609798 971301354 /nfs/dbraw/zinc/30/13/54/971301354.db2.gz CEGXUQIEJVWCPG-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2CCC3(COC3)CC2)[NH+](C)C)cc1 ZINC000896477109 971512333 /nfs/dbraw/zinc/51/23/33/971512333.db2.gz XKDMWDJHKSNSEI-IBGZPJMESA-N 1 0 374.529 2.614 20 10 FFCDRO C[C@H]1[C@H](C[NH3+])CCCN1Cc1ccc(I)cc1O ZINC001205916603 1032066335 /nfs/dbraw/zinc/06/63/35/1032066335.db2.gz UTPAISWCRDSKON-QWRGUYRKSA-N 1 0 360.239 2.556 20 10 FFCDRO Cc1ncsc1C[NH+]1CC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC001271241736 972403465 /nfs/dbraw/zinc/40/34/65/972403465.db2.gz JDLGSENUOKGWRL-UHFFFAOYSA-N 1 0 373.478 2.601 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCCC2(C[NH+](CCCC(F)(F)F)C2)C1 ZINC001271242093 972403581 /nfs/dbraw/zinc/40/35/81/972403581.db2.gz OYSZFYJMKOMMNU-UHFFFAOYSA-N 1 0 372.387 2.978 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)CC2CC2)C1 ZINC000683498535 960795015 /nfs/dbraw/zinc/79/50/15/960795015.db2.gz NAHGJGCPUHVRIP-KRWDZBQOSA-N 1 0 369.509 2.685 20 10 FFCDRO COCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276036825 1013300263 /nfs/dbraw/zinc/30/02/63/1013300263.db2.gz BCKVUCQWLKEERV-IBGZPJMESA-N 1 0 350.434 2.525 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2F)cc1Cn1cccn1 ZINC000873020761 1013351790 /nfs/dbraw/zinc/35/17/90/1013351790.db2.gz ADGFACDNNZJZLU-LJQANCHMSA-N 1 0 355.413 2.902 20 10 FFCDRO CCCc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(=O)[nH]1 ZINC000891244291 962546395 /nfs/dbraw/zinc/54/63/95/962546395.db2.gz ZFROHDRAKUBMEO-LJQANCHMSA-N 1 0 370.497 2.838 20 10 FFCDRO CCc1nccn1[C@H](C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245338 962556334 /nfs/dbraw/zinc/55/63/34/962556334.db2.gz CVQTWQJTIUUSSC-APWZRJJASA-N 1 0 371.529 2.882 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(C=O)cc2)[NH+](C)C)cc1 ZINC000891248512 962576773 /nfs/dbraw/zinc/57/67/73/962576773.db2.gz XRHFHRUMAYXIPF-HXUWFJFHSA-N 1 0 353.466 2.527 20 10 FFCDRO C/C(=C\c1cccnc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248532 962577387 /nfs/dbraw/zinc/57/73/87/962577387.db2.gz YFMSRDWSWCTWDP-MQMQVCBVSA-N 1 0 352.482 2.970 20 10 FFCDRO Cc1ccncc1/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248692 962588699 /nfs/dbraw/zinc/58/86/99/962588699.db2.gz NAGIJIDESIZQSG-NHHWLVAYSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnc3ccncc32)[NH+](C)C)cc1 ZINC000891248785 962588838 /nfs/dbraw/zinc/58/88/38/962588838.db2.gz NYJUFWGJHFGPLE-HXUWFJFHSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)[NH+](C)C)cc1 ZINC000891251631 962604710 /nfs/dbraw/zinc/60/47/10/962604710.db2.gz CNSBVIPAWZYLDS-NHJHPMQKSA-N 1 0 371.525 2.867 20 10 FFCDRO CC(C)c1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1C ZINC000891251603 962604850 /nfs/dbraw/zinc/60/48/50/962604850.db2.gz HCJBMWTXZHMQMB-IBGZPJMESA-N 1 0 357.502 2.642 20 10 FFCDRO Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256688 962618305 /nfs/dbraw/zinc/61/83/05/962618305.db2.gz ZURZQJGFJGHKMG-AUUYWEPGSA-N 1 0 371.529 2.626 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1Cn1cccn1 ZINC000873042770 1013360296 /nfs/dbraw/zinc/36/02/96/1013360296.db2.gz IZQJHJASIUXHAL-MRXNPFEDSA-N 1 0 353.470 2.871 20 10 FFCDRO COC(=O)c1c(C)ccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423442 963014616 /nfs/dbraw/zinc/01/46/16/963014616.db2.gz ZRPOVODYKCOROJ-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)C(=O)N1C1CCCC1 ZINC001276064748 1013393363 /nfs/dbraw/zinc/39/33/63/1013393363.db2.gz WMDOEGHDWAAVSW-FQEVSTJZSA-N 1 0 360.429 2.815 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107978 963173981 /nfs/dbraw/zinc/17/39/81/963173981.db2.gz QRUAYNHVBBUMTD-LJQANCHMSA-N 1 0 370.440 2.579 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ncc([N+](=O)[O-])n4c3)cc2)CC1 ZINC001167434346 963177636 /nfs/dbraw/zinc/17/76/36/963177636.db2.gz KHYUDOMLHOGIRG-UHFFFAOYSA-N 1 0 366.425 2.606 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000891389661 963808686 /nfs/dbraw/zinc/80/86/86/963808686.db2.gz BPZUYQYZGMULDT-UHFFFAOYSA-N 1 0 373.526 2.716 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000891440357 964058102 /nfs/dbraw/zinc/05/81/02/964058102.db2.gz GGNMORNZFWHFKI-WMZOPIPTSA-N 1 0 374.529 2.662 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1O ZINC000894284549 964197507 /nfs/dbraw/zinc/19/75/07/964197507.db2.gz QPXUSFDOGMRKSM-UHFFFAOYSA-N 1 0 360.429 2.975 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NC)CC2)c(OC)c1 ZINC001276118925 1013478665 /nfs/dbraw/zinc/47/86/65/1013478665.db2.gz FVCIJXNTVPXTAV-SFHVURJKSA-N 1 0 359.514 2.890 20 10 FFCDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(O)c1OC ZINC000891499834 964393522 /nfs/dbraw/zinc/39/35/22/964393522.db2.gz YNWXBLZWFNSGRF-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891590349 964521699 /nfs/dbraw/zinc/52/16/99/964521699.db2.gz SAZFDLZYFNFNRG-FQEVSTJZSA-N 1 0 362.477 2.577 20 10 FFCDRO COc1cc(C)cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1O ZINC000894360534 965002580 /nfs/dbraw/zinc/00/25/80/965002580.db2.gz YKGOUSORLBHHBR-KRWDZBQOSA-N 1 0 356.470 2.857 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c(C(F)(F)F)c1 ZINC000894609484 965507267 /nfs/dbraw/zinc/50/72/67/965507267.db2.gz XUCWKSHDJFWNFN-UHFFFAOYSA-N 1 0 369.391 2.906 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C)n1-c1cccc(C)c1 ZINC000773536933 1013584959 /nfs/dbraw/zinc/58/49/59/1013584959.db2.gz ZMRITPLOQAYXPV-HXUWFJFHSA-N 1 0 366.509 2.522 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NOC3CC[NH+](C)CC3)ccc21 ZINC000773553221 1013645244 /nfs/dbraw/zinc/64/52/44/1013645244.db2.gz WYMUGNUCSYUQSF-UHFFFAOYSA-N 1 0 359.470 2.660 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC000729507067 967450247 /nfs/dbraw/zinc/45/02/47/967450247.db2.gz DJICTNJGHMKHRM-FXAWDEMLSA-N 1 0 374.529 2.695 20 10 FFCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCCCC1 ZINC000052873388 967961841 /nfs/dbraw/zinc/96/18/41/967961841.db2.gz XVNSSUJVPJDIQO-UHFFFAOYSA-N 1 0 359.514 2.998 20 10 FFCDRO C[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000874196940 1013784941 /nfs/dbraw/zinc/78/49/41/1013784941.db2.gz ATUAXSKHFZXEDB-OXJNMPFZSA-N 1 0 357.498 2.717 20 10 FFCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000892452566 968849022 /nfs/dbraw/zinc/84/90/22/968849022.db2.gz PONWZFMOYMICEP-SZMVWBNQSA-N 1 0 361.486 2.600 20 10 FFCDRO Cc1ccc(CCNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000895281603 968942046 /nfs/dbraw/zinc/94/20/46/968942046.db2.gz HVQUXQAVLJAYKG-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO Fc1cc(C[NH2+]CCc2ccc3c(c2)OCCO3)ccc1N1CCOCC1 ZINC001177171243 1013854388 /nfs/dbraw/zinc/85/43/88/1013854388.db2.gz XPMVBMQMYWQASG-UHFFFAOYSA-N 1 0 372.440 2.766 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2O)[NH+](C)C)cc1 ZINC000892526941 969367325 /nfs/dbraw/zinc/36/73/25/969367325.db2.gz CTCYUMSDLOCNEX-SFHVURJKSA-N 1 0 356.470 2.560 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(O)c1OC ZINC000892614395 969600984 /nfs/dbraw/zinc/60/09/84/969600984.db2.gz IETRWXXZUICXHI-UHFFFAOYSA-N 1 0 372.465 2.531 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)cc1C ZINC001104572908 969734522 /nfs/dbraw/zinc/73/45/22/969734522.db2.gz XPCFAJXOYRAZAF-VQIMIIECSA-N 1 0 371.481 2.809 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311689596 970119898 /nfs/dbraw/zinc/11/98/98/970119898.db2.gz OMKIKRBQIOGANY-QFBILLFUSA-N 1 0 356.466 2.952 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c(O)c1OC ZINC000892768077 970280833 /nfs/dbraw/zinc/28/08/33/970280833.db2.gz NZKJJBQOQVZVBX-OAHLLOKOSA-N 1 0 356.466 2.946 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1O ZINC000895440107 970617412 /nfs/dbraw/zinc/61/74/12/970617412.db2.gz OKKFUPITKWOQJQ-ROUUACIJSA-N 1 0 369.465 2.714 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC000895457766 970636752 /nfs/dbraw/zinc/63/67/52/970636752.db2.gz QSBHTPLAIGVIAH-UHFFFAOYSA-N 1 0 364.486 2.605 20 10 FFCDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875546268 1014043399 /nfs/dbraw/zinc/04/33/99/1014043399.db2.gz VGBRLTDNALAPDF-QGZVFWFLSA-N 1 0 351.450 2.940 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000825831947 1014095596 /nfs/dbraw/zinc/09/55/96/1014095596.db2.gz FKTGEGYHRNJBQM-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000897302193 974047812 /nfs/dbraw/zinc/04/78/12/974047812.db2.gz GLSMNBKKLKFHIT-FQEVSTJZSA-N 1 0 353.422 2.528 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)c2c1 ZINC000760549259 975482520 /nfs/dbraw/zinc/48/25/20/975482520.db2.gz ILJUDLFJOKGOSR-OAHLLOKOSA-N 1 0 355.438 2.590 20 10 FFCDRO CCOC1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899097603 976905981 /nfs/dbraw/zinc/90/59/81/976905981.db2.gz CHMJSGCOPQLLME-IBGZPJMESA-N 1 0 362.518 2.566 20 10 FFCDRO CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000899097664 976907058 /nfs/dbraw/zinc/90/70/58/976907058.db2.gz DWHDVOVVDGCOAN-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C[C@@H]2CCOC2)C2CC2)[NH+](C)C)cc1 ZINC000899101328 976912303 /nfs/dbraw/zinc/91/23/03/976912303.db2.gz IXNWKPATEXPVAH-JXFKEZNVSA-N 1 0 374.529 2.566 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000728913626 977429716 /nfs/dbraw/zinc/42/97/16/977429716.db2.gz DPXAODACJMDSLK-CALCHBBNSA-N 1 0 355.457 2.876 20 10 FFCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1O ZINC000690592836 1014395195 /nfs/dbraw/zinc/39/51/95/1014395195.db2.gz XFSADKHSDWUKSL-INIZCTEOSA-N 1 0 362.470 2.959 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3c4c(nn3C)CCSC4)CC2)cc1 ZINC000893968603 977616807 /nfs/dbraw/zinc/61/68/07/977616807.db2.gz CRCWOVIHEDMFNC-UHFFFAOYSA-N 1 0 372.538 2.930 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCN3Cc4ccccc4C3)cc2)CC1 ZINC000876918983 1014420959 /nfs/dbraw/zinc/42/09/59/1014420959.db2.gz QGNWZZGRXURCMB-UHFFFAOYSA-N 1 0 351.494 2.753 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)cc2)CC1 ZINC000876944122 1014427409 /nfs/dbraw/zinc/42/74/09/1014427409.db2.gz ZLFIUXIAJWYWNZ-INIZCTEOSA-N 1 0 371.447 2.622 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000728978202 978138182 /nfs/dbraw/zinc/13/81/82/978138182.db2.gz BSQULOGYEPJQDD-DOTOQJQBSA-N 1 0 369.465 2.885 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726708564 978239482 /nfs/dbraw/zinc/23/94/82/978239482.db2.gz JKQWZDORRASTTO-MRXNPFEDSA-N 1 0 362.518 2.694 20 10 FFCDRO CCOC(=O)Cn1cc(C[NH2+]Cc2ccccc2O)c(-c2cccnc2)n1 ZINC000894212510 978274430 /nfs/dbraw/zinc/27/44/30/978274430.db2.gz DPOULSUEVJJISN-UHFFFAOYSA-N 1 0 366.421 2.504 20 10 FFCDRO C[C@@H]1C(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000021995218 979109472 /nfs/dbraw/zinc/10/94/72/979109472.db2.gz TZOXZQJRKWTROQ-MRXNPFEDSA-N 1 0 366.465 2.999 20 10 FFCDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877464501 1014591702 /nfs/dbraw/zinc/59/17/02/1014591702.db2.gz KKTAVLXHLNZNIV-FQEVSTJZSA-N 1 0 354.494 2.649 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C)cc3O)C2=O)c(OC)c1 ZINC000877524529 1014611212 /nfs/dbraw/zinc/61/12/12/1014611212.db2.gz ZIUKFDSWWKRNLT-GOSISDBHSA-N 1 0 370.449 2.609 20 10 FFCDRO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877543460 1014619842 /nfs/dbraw/zinc/61/98/42/1014619842.db2.gz BIRFEUAZYBEFRC-HSZRJFAPSA-N 1 0 366.505 2.784 20 10 FFCDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877617784 1014649696 /nfs/dbraw/zinc/64/96/96/1014649696.db2.gz VVHRDULVRIBUMC-NRFANRHFSA-N 1 0 365.477 2.691 20 10 FFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000905060353 980378745 /nfs/dbraw/zinc/37/87/45/980378745.db2.gz VCZLWLXQVJBKNU-PZJWPPBQSA-N 1 0 367.493 2.520 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877639426 1014655594 /nfs/dbraw/zinc/65/55/94/1014655594.db2.gz JNSBSBWPZOUEDT-FPOVZHCZSA-N 1 0 360.498 2.859 20 10 FFCDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877656441 1014662242 /nfs/dbraw/zinc/66/22/42/1014662242.db2.gz IPKNAUJOOHYQAM-OAQYLSRUSA-N 1 0 365.477 2.564 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664917 981116740 /nfs/dbraw/zinc/11/67/40/981116740.db2.gz OTEZKTMOMTWJLO-UHFFFAOYSA-N 1 0 369.465 2.963 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCCO1 ZINC000907191874 981212226 /nfs/dbraw/zinc/21/22/26/981212226.db2.gz CRGHXTDKCNZDKA-DYESRHJHSA-N 1 0 371.525 2.650 20 10 FFCDRO CN(C)C(=O)c1ccc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000897524745 981482250 /nfs/dbraw/zinc/48/22/50/981482250.db2.gz CNTROPWJBZHDTA-SFHVURJKSA-N 1 0 355.486 2.564 20 10 FFCDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841956777 982466954 /nfs/dbraw/zinc/46/69/54/982466954.db2.gz HPYLMPAZWIEATQ-LJQANCHMSA-N 1 0 358.530 2.965 20 10 FFCDRO C[C@@H]([NH3+])C1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000911632851 983859592 /nfs/dbraw/zinc/85/95/92/983859592.db2.gz LDPOSQRUBNXLLJ-QGZVFWFLSA-N 1 0 359.514 2.779 20 10 FFCDRO CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107056887 983879322 /nfs/dbraw/zinc/87/93/22/983879322.db2.gz AJZZPOGWRDHMBE-YUELXQCFSA-N 1 0 363.437 2.895 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000651157455 1015011928 /nfs/dbraw/zinc/01/19/28/1015011928.db2.gz PPDADHMQZURMEV-OAHLLOKOSA-N 1 0 355.482 2.597 20 10 FFCDRO COc1cc(C[NH+]2CCN(Cc3nccn3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164301034 984348124 /nfs/dbraw/zinc/34/81/24/984348124.db2.gz IGFRSTFUTRMBJD-UHFFFAOYSA-N 1 0 372.513 2.750 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000156665995 984361467 /nfs/dbraw/zinc/36/14/67/984361467.db2.gz IWDKBWKDXCQXGO-BQULGAROSA-N 1 0 352.434 2.748 20 10 FFCDRO C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2O1 ZINC000760818823 984531794 /nfs/dbraw/zinc/53/17/94/984531794.db2.gz SNIKNWLDBBZJMJ-FLVLSHQESA-N 1 0 374.444 2.999 20 10 FFCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157827226 984678313 /nfs/dbraw/zinc/67/83/13/984678313.db2.gz XMRRQCDGYRKSJA-PXNSSMCTSA-N 1 0 374.529 2.566 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764808555 984727315 /nfs/dbraw/zinc/72/73/15/984727315.db2.gz FNXGTVSFMXXFPI-WMZOPIPTSA-N 1 0 374.456 2.753 20 10 FFCDRO COCCOc1ncccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000764961620 984886471 /nfs/dbraw/zinc/88/64/71/984886471.db2.gz DKZBZDHIBSAMIZ-UHFFFAOYSA-N 1 0 371.481 2.874 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000765622147 985244753 /nfs/dbraw/zinc/24/47/53/985244753.db2.gz GMPFBLCZBGSGRN-LHSJRXKWSA-N 1 0 366.465 2.658 20 10 FFCDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921582370 985410949 /nfs/dbraw/zinc/41/09/49/985410949.db2.gz TVIUCNCPCPCNSH-KRWDZBQOSA-N 1 0 369.387 2.675 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3CN3CCOCC3)c2c1 ZINC000173375098 985823648 /nfs/dbraw/zinc/82/36/48/985823648.db2.gz OYSIIBLHOBLCQK-KRWDZBQOSA-N 1 0 356.466 2.851 20 10 FFCDRO Cc1cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000913682458 986821034 /nfs/dbraw/zinc/82/10/34/986821034.db2.gz IEPHIOAUKFZHNZ-UHFFFAOYSA-N 1 0 369.509 2.931 20 10 FFCDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765977364 988168817 /nfs/dbraw/zinc/16/88/17/988168817.db2.gz GMNTVPAQHSMYKW-SFHVURJKSA-N 1 0 372.534 2.951 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cc2)CC1 ZINC000922338164 988449130 /nfs/dbraw/zinc/44/91/30/988449130.db2.gz IEAPOFVTJLYYNO-VAMGGRTRSA-N 1 0 371.525 2.683 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000922408278 988587076 /nfs/dbraw/zinc/58/70/76/988587076.db2.gz LEVFZNJZSXQSDU-UGSOOPFHSA-N 1 0 374.485 2.992 20 10 FFCDRO C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]C1 ZINC000237606710 991285142 /nfs/dbraw/zinc/28/51/42/991285142.db2.gz AXVSKMXVEFFFNK-AUUYWEPGSA-N 1 0 367.440 2.763 20 10 FFCDRO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179553711 991294380 /nfs/dbraw/zinc/29/43/80/991294380.db2.gz HTTDDDNTRHRJJT-UHFFFAOYSA-N 1 0 353.466 2.711 20 10 FFCDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000068017697 991299925 /nfs/dbraw/zinc/29/99/25/991299925.db2.gz ZZAOGUIPKFFHMM-UHFFFAOYSA-N 1 0 374.916 2.725 20 10 FFCDRO COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000179646541 991308021 /nfs/dbraw/zinc/30/80/21/991308021.db2.gz BBAQTKVOXUNUCU-MRXNPFEDSA-N 1 0 370.449 2.635 20 10 FFCDRO CCn1c2nnc(C[NH2+][C@@H](C)c3ccccc3O)n2c2ccccc2c1=O ZINC000879651367 1015625190 /nfs/dbraw/zinc/62/51/90/1015625190.db2.gz SHSAVPKUBGSYHJ-ZDUSSCGKSA-N 1 0 363.421 2.621 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000879648597 1015625803 /nfs/dbraw/zinc/62/58/03/1015625803.db2.gz VJLZUYNDTOSHNO-HZPDHXFCSA-N 1 0 369.465 2.907 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000068549202 991467186 /nfs/dbraw/zinc/46/71/86/991467186.db2.gz MSFJZYISVDACNQ-PWIZWCRZSA-N 1 0 372.513 2.510 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cc2cnccc2o1 ZINC000879714650 1015651678 /nfs/dbraw/zinc/65/16/78/1015651678.db2.gz YUSWVJVGHQYJSF-AWEZNQCLSA-N 1 0 352.438 2.861 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2cc(OC)ccc2O)N2CCOCC2)cc1 ZINC000181624894 991836583 /nfs/dbraw/zinc/83/65/83/991836583.db2.gz TUCDRDPLRJVQQC-HXUWFJFHSA-N 1 0 372.465 2.573 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCOc2cccc(C)c2)c1 ZINC000182445400 992052461 /nfs/dbraw/zinc/05/24/61/992052461.db2.gz MBKUUJRWDOKFIS-HNNXBMFYSA-N 1 0 358.438 2.555 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccnc(C)n4)CC3)c2c1 ZINC000184111234 992694165 /nfs/dbraw/zinc/69/41/65/992694165.db2.gz PVPQOLCUEXYISL-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000128327537 1015800866 /nfs/dbraw/zinc/80/08/66/1015800866.db2.gz YTTAZZMQGNCOSO-KRWDZBQOSA-N 1 0 353.470 2.534 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn(C)cn2)NC(=O)OC(C)(C)C)cc1 ZINC000808402718 994114000 /nfs/dbraw/zinc/11/40/00/994114000.db2.gz YFMJDUXCWGUPLF-SFHVURJKSA-N 1 0 373.501 2.842 20 10 FFCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000809632083 994560135 /nfs/dbraw/zinc/56/01/35/994560135.db2.gz JZEGGUSZZUUQJO-HXUWFJFHSA-N 1 0 366.509 2.814 20 10 FFCDRO Cc1ccc(O)c(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000809694970 994571246 /nfs/dbraw/zinc/57/12/46/994571246.db2.gz WTIQDQZXUXPOHD-UHFFFAOYSA-N 1 0 353.510 2.950 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3=CCOCC3)C2)cc1C ZINC001086680013 994833460 /nfs/dbraw/zinc/83/34/60/994833460.db2.gz UXUIXKARSIIWIK-PKOBYXMFSA-N 1 0 358.482 2.725 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(CCF)CC1 ZINC000810658279 994881747 /nfs/dbraw/zinc/88/17/47/994881747.db2.gz CQMATNAVZXSPOZ-UHFFFAOYSA-N 1 0 359.489 2.975 20 10 FFCDRO C[C@@H]1Cc2cccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)c2O1 ZINC001133123487 995332885 /nfs/dbraw/zinc/33/28/85/995332885.db2.gz NWEAHXUQWBEDTJ-MRXNPFEDSA-N 1 0 365.477 2.692 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@H]2C)cc1C ZINC001082771464 995464034 /nfs/dbraw/zinc/46/40/34/995464034.db2.gz BHTRWADOZIBUGF-ZHALLVOQSA-N 1 0 370.497 2.788 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC001082796175 995507532 /nfs/dbraw/zinc/50/75/32/995507532.db2.gz VHLADMJTHLZYDW-FRQCXROJSA-N 1 0 370.497 2.542 20 10 FFCDRO CCn1ncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)c1C ZINC001082819762 995571393 /nfs/dbraw/zinc/57/13/93/995571393.db2.gz YFBUFPRHMDBNDW-DNVCBOLYSA-N 1 0 370.497 2.779 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000824687141 997053612 /nfs/dbraw/zinc/05/36/12/997053612.db2.gz QDXBFHYOCPOUBQ-SQGPQFPESA-N 1 0 374.529 2.503 20 10 FFCDRO C[N@@H+]1C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](c2ccccc2)C1 ZINC000844048987 997625338 /nfs/dbraw/zinc/62/53/38/997625338.db2.gz GZNXCRKINNPWJM-RRJCZVHSSA-N 1 0 352.434 2.573 20 10 FFCDRO Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000844175078 997693453 /nfs/dbraw/zinc/69/34/53/997693453.db2.gz FACLQJJSXKZPDV-OXQOHEQNSA-N 1 0 353.466 2.709 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000844852517 998196624 /nfs/dbraw/zinc/19/66/24/998196624.db2.gz LVXIECSBEIHXES-UHFFFAOYSA-N 1 0 362.518 2.647 20 10 FFCDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c(O)cc(O)cc4O)C3)CC2=O)s1 ZINC001144508662 998609852 /nfs/dbraw/zinc/60/98/52/998609852.db2.gz UURDJMBVMKLMGW-IBGZPJMESA-N 1 0 374.462 2.802 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)CN1c1cccc(F)c1 ZINC001144508802 998621084 /nfs/dbraw/zinc/62/10/84/998621084.db2.gz YTBGQESEBKXPLH-FQEVSTJZSA-N 1 0 372.396 2.572 20 10 FFCDRO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514904 998626634 /nfs/dbraw/zinc/62/66/34/998626634.db2.gz XCLFAPJMRJXMHK-LBPRGKRZSA-N 1 0 352.431 2.683 20 10 FFCDRO CN(C(=O)c1ccccc1)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515959 998627593 /nfs/dbraw/zinc/62/75/93/998627593.db2.gz KOQNIRUVJWTSFQ-UHFFFAOYSA-N 1 0 356.422 2.540 20 10 FFCDRO C[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000378898904 999133298 /nfs/dbraw/zinc/13/32/98/999133298.db2.gz VYCWNXGHRXLYMD-INIZCTEOSA-N 1 0 363.502 2.916 20 10 FFCDRO Oc1cc2c(cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)OCO2 ZINC000734843035 999347579 /nfs/dbraw/zinc/34/75/79/999347579.db2.gz CLZWHGJVZVSKHU-GUYCJALGSA-N 1 0 369.339 2.745 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000735841892 999499570 /nfs/dbraw/zinc/49/95/70/999499570.db2.gz YMDYAAPIPRMNDF-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000741257665 999716928 /nfs/dbraw/zinc/71/69/28/999716928.db2.gz ICJVLLRVPNHZCV-OAQYLSRUSA-N 1 0 356.466 2.518 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000742391452 999771405 /nfs/dbraw/zinc/77/14/05/999771405.db2.gz ISWXKYGSGYPBPL-HNAYVOBHSA-N 1 0 355.486 2.550 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000742691835 999783446 /nfs/dbraw/zinc/78/34/46/999783446.db2.gz NDELEPCRKHCETA-UHFFFAOYSA-N 1 0 351.450 2.919 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3cnc4ccccc4n3)CC2)cc1 ZINC000742928619 999793656 /nfs/dbraw/zinc/79/36/56/999793656.db2.gz YLELFHQAUYKULT-UHFFFAOYSA-N 1 0 363.465 2.873 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Oc2cnn(C)c2)C1 ZINC000766836257 1000077577 /nfs/dbraw/zinc/07/75/77/1000077577.db2.gz QVUZMFHSNDRGRV-UHFFFAOYSA-N 1 0 352.438 2.747 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000768219413 1000196608 /nfs/dbraw/zinc/19/66/08/1000196608.db2.gz YKAFJEMUUINKKW-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO C[C@@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096640697 1016393611 /nfs/dbraw/zinc/39/36/11/1016393611.db2.gz FKNNRWQTTHGKBE-FWYOQMDTSA-N 1 0 361.421 2.932 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c1O ZINC000846153034 1000210378 /nfs/dbraw/zinc/21/03/78/1000210378.db2.gz DVBMQDZZGXJBRB-HOTGVXAUSA-N 1 0 370.449 2.731 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(N(C)C)cc1 ZINC000846161209 1000212486 /nfs/dbraw/zinc/21/24/86/1000212486.db2.gz WJUVTUYLPHJEEO-TXJVSEOTSA-N 1 0 374.529 2.742 20 10 FFCDRO Cc1cc(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)no1 ZINC000768401267 1000233952 /nfs/dbraw/zinc/23/39/52/1000233952.db2.gz KOWVMZZWZDTHHE-UHFFFAOYSA-N 1 0 369.469 2.837 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000768539214 1000289318 /nfs/dbraw/zinc/28/93/18/1000289318.db2.gz SZKRPAXGBHVHTJ-HNNXBMFYSA-N 1 0 355.438 2.955 20 10 FFCDRO CC1CC(NC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000768734694 1000335630 /nfs/dbraw/zinc/33/56/30/1000335630.db2.gz OWENLDKQUOGPOS-UHFFFAOYSA-N 1 0 356.514 2.816 20 10 FFCDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)C1 ZINC000769379709 1000504165 /nfs/dbraw/zinc/50/41/65/1000504165.db2.gz DZCALHQYXPVYME-JOCHJYFZSA-N 1 0 356.558 2.889 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3\N=C(c4cccc(F)c4)OC3=O)cc2)CC1 ZINC000771519035 1001135230 /nfs/dbraw/zinc/13/52/30/1001135230.db2.gz BVMCSBMMVWDZNF-UYRXBGFRSA-N 1 0 365.408 2.922 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2nnnn2C)cc1 ZINC000771877635 1001226540 /nfs/dbraw/zinc/22/65/40/1001226540.db2.gz QKSBPDQLFCYPPI-UHFFFAOYSA-N 1 0 350.470 2.569 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000786236933 1001560979 /nfs/dbraw/zinc/56/09/79/1001560979.db2.gz MYDDUGKUNZEBHK-UHFFFAOYSA-N 1 0 357.454 2.504 20 10 FFCDRO CCO[C@@H]1CN(C(=O)[C@@H](F)CC)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087072499 1001752689 /nfs/dbraw/zinc/75/26/89/1001752689.db2.gz KJUAYUZQRRSKJX-ZIFCJYIRSA-N 1 0 366.477 2.705 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3coc4ccccc34)cc2)CC1 ZINC000746730631 1001766306 /nfs/dbraw/zinc/76/63/06/1001766306.db2.gz JZAUVVMLPRBYDW-UHFFFAOYSA-N 1 0 370.474 2.957 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(C)n1-c1ccccc1C ZINC000788206328 1001772735 /nfs/dbraw/zinc/77/27/35/1001772735.db2.gz UEFYTIFFIPQEFD-QFIPXVFZSA-N 1 0 369.509 2.931 20 10 FFCDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000788784320 1001877696 /nfs/dbraw/zinc/87/76/96/1001877696.db2.gz WKZAEIWMBGITKZ-YJYMSZOUSA-N 1 0 358.413 2.668 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC(=O)NCc1ccccc1 ZINC000774484776 1001926918 /nfs/dbraw/zinc/92/69/18/1001926918.db2.gz SHAQKAZREXLTTL-HOTGVXAUSA-N 1 0 368.481 2.818 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000774485480 1001927544 /nfs/dbraw/zinc/92/75/44/1001927544.db2.gz VFWISWNBUXMKLP-CABCVRRESA-N 1 0 360.502 2.950 20 10 FFCDRO CC1(C)CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000789161134 1001985908 /nfs/dbraw/zinc/98/59/08/1001985908.db2.gz DDAWFFNVGCJBGN-UHFFFAOYSA-N 1 0 356.514 2.770 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCO[C@@H]2CC2(F)F)c2cc(F)ccc2n1C ZINC001182796450 1002041689 /nfs/dbraw/zinc/04/16/89/1002041689.db2.gz VFTLZVLEDMCYNE-CQSZACIVSA-N 1 0 356.344 2.618 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cccc(O)c3O)CC2)c1 ZINC000790553075 1002411141 /nfs/dbraw/zinc/41/11/41/1002411141.db2.gz ALHPGXPAZAZXHT-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO C[C@@H]1C[C@@H](C)N1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000792159824 1002928109 /nfs/dbraw/zinc/92/81/09/1002928109.db2.gz UOLIAWYJAZOWDX-IAGOWNOFSA-N 1 0 356.514 2.911 20 10 FFCDRO O=C(N1CCCC1)C12CC(C1)CN2Cc1cc(Br)ccc1O ZINC001203642387 1003371472 /nfs/dbraw/zinc/37/14/72/1003371472.db2.gz IHJMBHJNAJCSKW-UHFFFAOYSA-N 1 0 365.271 2.742 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cc(C)nn3C)CC2)cc1 ZINC000793519486 1003399737 /nfs/dbraw/zinc/39/97/37/1003399737.db2.gz RLFRONIQTUMLSZ-SFHVURJKSA-N 1 0 371.529 2.600 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1O ZINC000775489748 1003993433 /nfs/dbraw/zinc/99/34/33/1003993433.db2.gz RLZCWCITIODRHT-QAPCUYQASA-N 1 0 370.449 2.758 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)no3)C2)cc1C ZINC001086643239 1004352839 /nfs/dbraw/zinc/35/28/39/1004352839.db2.gz NIKGXGXLTQQVJN-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806636335 1004381108 /nfs/dbraw/zinc/38/11/08/1004381108.db2.gz ZDNRTOXTQYYXTH-LPHOPBHVSA-N 1 0 356.514 2.837 20 10 FFCDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000807440341 1004601885 /nfs/dbraw/zinc/60/18/85/1004601885.db2.gz ILQOSSRHNHJZDS-UKRRQHHQSA-N 1 0 361.442 2.922 20 10 FFCDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccco1 ZINC000807442024 1004602326 /nfs/dbraw/zinc/60/23/26/1004602326.db2.gz UEQUGGIIIBOTKV-CZUORRHYSA-N 1 0 361.442 2.922 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ncoc3C)C2)cc1C ZINC001086654892 1004676883 /nfs/dbraw/zinc/67/68/83/1004676883.db2.gz FIANHKAUAGAOQK-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)c2c1 ZINC000808205451 1004781566 /nfs/dbraw/zinc/78/15/66/1004781566.db2.gz DSSYINDZIGFXNW-INIZCTEOSA-N 1 0 354.450 2.998 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC001199792663 1005030447 /nfs/dbraw/zinc/03/04/47/1005030447.db2.gz QBCVPPZTDVHPTI-RXVVDRJESA-N 1 0 361.530 2.610 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)CC2(O)CCCCC2)cc1 ZINC001195788080 1005043954 /nfs/dbraw/zinc/04/39/54/1005043954.db2.gz DSJZIUZJHODLET-SFHVURJKSA-N 1 0 350.503 2.509 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1O ZINC000776154039 1005199307 /nfs/dbraw/zinc/19/93/07/1005199307.db2.gz MJHNOFYUJMTBFU-IBGZPJMESA-N 1 0 373.840 2.698 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3cccnc3)cc2F)CC1 ZINC000106702068 1005356543 /nfs/dbraw/zinc/35/65/43/1005356543.db2.gz UKUWPRLXHDKOGS-UHFFFAOYSA-N 1 0 370.472 2.612 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1F ZINC000107390288 1005427495 /nfs/dbraw/zinc/42/74/95/1005427495.db2.gz LGZIZWZNNVQAJU-UHFFFAOYSA-N 1 0 373.476 2.560 20 10 FFCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850034566 1005780323 /nfs/dbraw/zinc/78/03/23/1005780323.db2.gz OKHZHVXTVZPLIH-UHFFFAOYSA-N 1 0 358.461 2.953 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CCN(C(=O)c4ccoc4)CC3)C2)cc1 ZINC000850346610 1005808988 /nfs/dbraw/zinc/80/89/88/1005808988.db2.gz HUTJFDGCFUQCKR-SFHVURJKSA-N 1 0 369.465 2.761 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CC(CF)(CF)C3)CC2)cc1 ZINC000850422327 1005814762 /nfs/dbraw/zinc/81/47/62/1005814762.db2.gz MJXYDOWZRGNCLT-UHFFFAOYSA-N 1 0 367.484 2.885 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898638 1005921443 /nfs/dbraw/zinc/92/14/43/1005921443.db2.gz WNNBGVQMNWEHLE-JQERWDHBSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H](OC)C3CCC3)CC2)cc(OC)c1OC ZINC000851936883 1005924296 /nfs/dbraw/zinc/92/42/96/1005924296.db2.gz XWAZMTOAXKXGRG-LJQANCHMSA-N 1 0 364.486 2.650 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000852092468 1005941045 /nfs/dbraw/zinc/94/10/45/1005941045.db2.gz VHNKOEZYHRGBCZ-SQNIBIBYSA-N 1 0 374.529 2.694 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000852175146 1005947993 /nfs/dbraw/zinc/94/79/93/1005947993.db2.gz RIXXEDNMJMFSKE-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000852185410 1005948634 /nfs/dbraw/zinc/94/86/34/1005948634.db2.gz XTRYZPKYCHCAKN-ROUUACIJSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC000852199750 1005950536 /nfs/dbraw/zinc/95/05/36/1005950536.db2.gz CNASTYMVVIATGZ-ROUUACIJSA-N 1 0 374.529 2.551 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000852386279 1006001048 /nfs/dbraw/zinc/00/10/48/1006001048.db2.gz ATQXVCAOGGHZMV-SJORKVTESA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)C2)cc1 ZINC000852386307 1006001172 /nfs/dbraw/zinc/00/11/72/1006001172.db2.gz BIFGGKRLQLXFOZ-FUHWJXTLSA-N 1 0 374.529 2.694 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3occc3C)cc2F)CC1 ZINC000813633116 1006006736 /nfs/dbraw/zinc/00/67/36/1006006736.db2.gz SBJUVMUAWFHNJN-UHFFFAOYSA-N 1 0 374.460 2.868 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)C2)cc1 ZINC000852450512 1006031458 /nfs/dbraw/zinc/03/14/58/1006031458.db2.gz OBALIYXSIOBWIS-ZWKOTPCHSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC000852451444 1006033026 /nfs/dbraw/zinc/03/30/26/1006033026.db2.gz KZXFCBFMAKXSPL-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000813860526 1006059272 /nfs/dbraw/zinc/05/92/72/1006059272.db2.gz KGGLRXACNDIIBN-INIZCTEOSA-N 1 0 367.440 2.904 20 10 FFCDRO Cc1cc(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)ccc1N1CCCCC1 ZINC000881379503 1006073029 /nfs/dbraw/zinc/07/30/29/1006073029.db2.gz SLYYBKOHCZKZKY-UXHICEINSA-N 1 0 355.486 2.804 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC001202486342 1006115458 /nfs/dbraw/zinc/11/54/58/1006115458.db2.gz FRWQSZXAPBLQDI-RXVVDRJESA-N 1 0 360.498 2.651 20 10 FFCDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868767 1006213978 /nfs/dbraw/zinc/21/39/78/1006213978.db2.gz MYSRZCKWBFYQIX-VQTJNVASSA-N 1 0 359.514 2.562 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000129329902 1006262627 /nfs/dbraw/zinc/26/26/27/1006262627.db2.gz ABYZTDPMFBVOHI-UHFFFAOYSA-N 1 0 372.557 2.663 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000853582989 1006457645 /nfs/dbraw/zinc/45/76/45/1006457645.db2.gz NDCTZHRZRWTAQN-HNNXBMFYSA-N 1 0 363.502 2.886 20 10 FFCDRO Nc1nc(NCc2ccc(N3CCC(O)CC3)cc2)c2c([nH+]1)CCCC2 ZINC000853957341 1006601088 /nfs/dbraw/zinc/60/10/88/1006601088.db2.gz LQKUNCHQDSWAIE-UHFFFAOYSA-N 1 0 353.470 2.511 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883278590 1006726678 /nfs/dbraw/zinc/72/66/78/1006726678.db2.gz VIDZMPOQTYLGPB-WBVHZDCISA-N 1 0 362.445 2.757 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)C2)cc1 ZINC000854298219 1006764779 /nfs/dbraw/zinc/76/47/79/1006764779.db2.gz YKJYXXMSXZROKQ-FUHIMQAGSA-N 1 0 372.513 2.542 20 10 FFCDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854299565 1006764905 /nfs/dbraw/zinc/76/49/05/1006764905.db2.gz PRGBGCMIDWWRJE-GOSISDBHSA-N 1 0 374.529 2.791 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000883370656 1006769418 /nfs/dbraw/zinc/76/94/18/1006769418.db2.gz PLGIIVMGNJSFOP-PZJWPPBQSA-N 1 0 374.573 2.590 20 10 FFCDRO CCN(CC1CC1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000112216021 1006818837 /nfs/dbraw/zinc/81/88/37/1006818837.db2.gz MYTSHUNCZOCVBF-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)(F)F ZINC000883746022 1006980743 /nfs/dbraw/zinc/98/07/43/1006980743.db2.gz VEYBRUNZPBNRRV-CQSZACIVSA-N 1 0 372.435 2.826 20 10 FFCDRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775253920 1007091312 /nfs/dbraw/zinc/09/13/12/1007091312.db2.gz CKLPMVBQXLVUID-GHTZIAJQSA-N 1 0 370.493 2.922 20 10 FFCDRO NC(=O)c1ccc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)cc1 ZINC000816513821 1007094272 /nfs/dbraw/zinc/09/42/72/1007094272.db2.gz CSULWWOSWBKBST-UHFFFAOYSA-N 1 0 361.445 2.967 20 10 FFCDRO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775256983 1007111862 /nfs/dbraw/zinc/11/18/62/1007111862.db2.gz BZCWZQFOMWHINZ-GOSISDBHSA-N 1 0 367.493 2.799 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2)c1 ZINC000775368618 1007511960 /nfs/dbraw/zinc/51/19/60/1007511960.db2.gz CCAZVUWZUYRSQT-OLZOCXBDSA-N 1 0 357.410 2.788 20 10 FFCDRO CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000775372753 1007578746 /nfs/dbraw/zinc/57/87/46/1007578746.db2.gz IIYMTJDTHFEVNJ-HUUCEWRRSA-N 1 0 361.438 2.890 20 10 FFCDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000817365224 1007581546 /nfs/dbraw/zinc/58/15/46/1007581546.db2.gz SFWQLRRZKITVFT-XNJGSVPQSA-N 1 0 363.454 2.760 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817585969 1007658921 /nfs/dbraw/zinc/65/89/21/1007658921.db2.gz KHIZQEDJHUDJAX-JYJNAYRXSA-N 1 0 363.477 2.605 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000856212664 1007728497 /nfs/dbraw/zinc/72/84/97/1007728497.db2.gz QSGOJIQSRFIVND-NRFANRHFSA-N 1 0 371.525 2.671 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254837 1007738528 /nfs/dbraw/zinc/73/85/28/1007738528.db2.gz KUZYQXQYZNACMF-KRWDZBQOSA-N 1 0 373.522 2.827 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000817938684 1007816166 /nfs/dbraw/zinc/81/61/66/1007816166.db2.gz PUGUQAXSPHREHM-QRWLVFNGSA-N 1 0 350.470 2.684 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940261 1007817491 /nfs/dbraw/zinc/81/74/91/1007817491.db2.gz FCBMLSRKQWZQFB-WTNAPCKOSA-N 1 0 367.541 2.648 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000818221352 1007888270 /nfs/dbraw/zinc/88/82/70/1007888270.db2.gz RAKAPUZFFJRYAN-QGZVFWFLSA-N 1 0 353.466 2.671 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)cc1 ZINC000818613111 1007950982 /nfs/dbraw/zinc/95/09/82/1007950982.db2.gz FPECPLIZMTWVAC-AHRSYUTCSA-N 1 0 359.514 2.935 20 10 FFCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000818633334 1007956943 /nfs/dbraw/zinc/95/69/43/1007956943.db2.gz FJTSDOCZCQXRJB-UHFFFAOYSA-N 1 0 354.454 2.612 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000818638006 1007958060 /nfs/dbraw/zinc/95/80/60/1007958060.db2.gz ODJGYBSETAJCLV-UHFFFAOYSA-N 1 0 368.481 2.507 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000114598198 1007970544 /nfs/dbraw/zinc/97/05/44/1007970544.db2.gz CRCZZJICJFUCGB-HNNXBMFYSA-N 1 0 357.454 2.721 20 10 FFCDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954781 1007991624 /nfs/dbraw/zinc/99/16/24/1007991624.db2.gz WQTQQLXMKGAUNL-JOCHJYFZSA-N 1 0 353.510 2.869 20 10 FFCDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818972126 1008013529 /nfs/dbraw/zinc/01/35/29/1008013529.db2.gz DROLXKRSLYWQJU-NRFANRHFSA-N 1 0 370.493 2.670 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094995 1008032525 /nfs/dbraw/zinc/03/25/25/1008032525.db2.gz QSIXNBDJVJUQTE-NRFANRHFSA-N 1 0 368.477 2.739 20 10 FFCDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)COc2ccccc2O1 ZINC000858208558 1008325312 /nfs/dbraw/zinc/32/53/12/1008325312.db2.gz IFBGVDQDYJBFQC-NRFANRHFSA-N 1 0 354.450 2.843 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858490563 1008368199 /nfs/dbraw/zinc/36/81/99/1008368199.db2.gz ZKRUZMMWDJVEEY-UKRRQHHQSA-N 1 0 372.860 2.803 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000858488946 1008368229 /nfs/dbraw/zinc/36/82/29/1008368229.db2.gz OBFZDBMBEBZGEO-NVXWUHKLSA-N 1 0 365.485 2.510 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(O)c1 ZINC000858564326 1008382060 /nfs/dbraw/zinc/38/20/60/1008382060.db2.gz KSQXBOOLEGPQHS-PKOBYXMFSA-N 1 0 355.482 2.956 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113667 1008565206 /nfs/dbraw/zinc/56/52/06/1008565206.db2.gz HIZLXQJEUVLNGD-MDASCCDHSA-N 1 0 355.486 2.721 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)C1 ZINC001177428761 1008620601 /nfs/dbraw/zinc/62/06/01/1008620601.db2.gz GXNAEIXTOGFJPC-INIZCTEOSA-N 1 0 359.420 2.956 20 10 FFCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886325235 1008639116 /nfs/dbraw/zinc/63/91/16/1008639116.db2.gz ZFDBHLCKFLJUFY-UHFFFAOYSA-N 1 0 373.522 2.886 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3c([O-])cccc3F)cn2)CC1 ZINC000886505040 1008704843 /nfs/dbraw/zinc/70/48/43/1008704843.db2.gz GLPVGIFXYOBMME-OAHLLOKOSA-N 1 0 358.461 2.919 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1c([O-])cccc1F ZINC000886520328 1008714498 /nfs/dbraw/zinc/71/44/98/1008714498.db2.gz BIWXUEXCTSVOAE-AWEZNQCLSA-N 1 0 359.445 2.674 20 10 FFCDRO CC[N@@H+]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@H](C)C1 ZINC001206567277 1032344424 /nfs/dbraw/zinc/34/44/24/1032344424.db2.gz ZXXOANSLOITQSW-OAHLLOKOSA-N 1 0 364.453 2.954 20 10 FFCDRO CC[N@@H+]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@@H](C)C1 ZINC001206567276 1032345999 /nfs/dbraw/zinc/34/59/99/1032345999.db2.gz ZXXOANSLOITQSW-HNNXBMFYSA-N 1 0 364.453 2.954 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCCOC1 ZINC000886751441 1008859938 /nfs/dbraw/zinc/85/99/38/1008859938.db2.gz QSYMDOQWYDJOAS-ICSRJNTNSA-N 1 0 359.514 2.683 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000886751522 1008860129 /nfs/dbraw/zinc/86/01/29/1008860129.db2.gz SVPSCHTYIQGILW-LJQANCHMSA-N 1 0 365.477 2.871 20 10 FFCDRO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000823057434 1008887123 /nfs/dbraw/zinc/88/71/23/1008887123.db2.gz BTPBZURFQNJXAR-ROUUACIJSA-N 1 0 361.486 2.567 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000823243754 1008990348 /nfs/dbraw/zinc/99/03/48/1008990348.db2.gz POXQFEQSQHLZAO-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000823601919 1009137560 /nfs/dbraw/zinc/13/75/60/1009137560.db2.gz GBOHXNGUJGGGIX-BWTSREIZSA-N 1 0 361.530 2.753 20 10 FFCDRO CC[NH+](CC)CC[C@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC001179067712 1009246892 /nfs/dbraw/zinc/24/68/92/1009246892.db2.gz VXOYHMLUKWQTNE-MRXNPFEDSA-N 1 0 352.519 2.881 20 10 FFCDRO Cc1cc(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000863300564 1010164966 /nfs/dbraw/zinc/16/49/66/1010164966.db2.gz NPPIYNAEKVGTHA-UHFFFAOYSA-N 1 0 371.485 2.526 20 10 FFCDRO CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000863519535 1010240700 /nfs/dbraw/zinc/24/07/00/1010240700.db2.gz OBCNWIDJHUGHHY-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO CC(C)[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000119756576 1010368380 /nfs/dbraw/zinc/36/83/80/1010368380.db2.gz NHQWIWPYXGIGDZ-UHFFFAOYSA-N 1 0 363.477 2.541 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C)cc1O ZINC000794820024 1010739950 /nfs/dbraw/zinc/73/99/50/1010739950.db2.gz ZVNRNTBQLNOJCE-DLBZAZTESA-N 1 0 356.470 2.666 20 10 FFCDRO CCOc1cccc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC000865776034 1010860245 /nfs/dbraw/zinc/86/02/45/1010860245.db2.gz HTLZOGKFYFEJBZ-UHFFFAOYSA-N 1 0 364.486 2.687 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cc2)C1 ZINC000866236384 1010957876 /nfs/dbraw/zinc/95/78/76/1010957876.db2.gz AJFBAQPMUUIYHK-GIVPXCGWSA-N 1 0 371.525 2.826 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC000866521477 1011008471 /nfs/dbraw/zinc/00/84/71/1011008471.db2.gz JSZKKFMFIUQCSY-AWEZNQCLSA-N 1 0 353.422 2.603 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)[C@H](C)C1 ZINC000868263166 1011220234 /nfs/dbraw/zinc/22/02/34/1011220234.db2.gz LDVJTKUCHUSEBB-NUJGCVRESA-N 1 0 363.502 2.889 20 10 FFCDRO C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000773313438 1011321539 /nfs/dbraw/zinc/32/15/39/1011321539.db2.gz HMQDHLGOTKTVBJ-KRWDZBQOSA-N 1 0 374.529 2.758 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275027551 1011827131 /nfs/dbraw/zinc/82/71/31/1011827131.db2.gz VFSLWMHSDYCUMM-IIBYNOLFSA-N 1 0 357.498 2.881 20 10 FFCDRO CC(C)CC[N@@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275094419 1011925168 /nfs/dbraw/zinc/92/51/68/1011925168.db2.gz WZWAARBDPCAVDF-NRFANRHFSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)c1 ZINC001275239261 1012131708 /nfs/dbraw/zinc/13/17/08/1012131708.db2.gz UMDJNJYQIXKHHF-RTBURBONSA-N 1 0 351.450 2.861 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275249283 1012142162 /nfs/dbraw/zinc/14/21/62/1012142162.db2.gz ZEGOKSXACBUXFE-LJQANCHMSA-N 1 0 366.889 2.897 20 10 FFCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796362821 1012348842 /nfs/dbraw/zinc/34/88/42/1012348842.db2.gz LVVIATFGICZWMJ-VGOFRKELSA-N 1 0 352.478 2.879 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)C(C)(C)C)c(O)c1 ZINC001275386816 1012406736 /nfs/dbraw/zinc/40/67/36/1012406736.db2.gz ZISAZROIBRCTQS-IAGOWNOFSA-N 1 0 358.482 2.881 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CC4CCOCC4)C3=O)C2)c(O)c1 ZINC001275388698 1012411893 /nfs/dbraw/zinc/41/18/93/1012411893.db2.gz UUBRAASQCVXXFD-NRFANRHFSA-N 1 0 358.482 2.552 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c(OC)c1 ZINC001275449263 1012478709 /nfs/dbraw/zinc/47/87/09/1012478709.db2.gz XEGKYCPGKIRDPT-HXUWFJFHSA-N 1 0 362.470 2.632 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870861321 1012610331 /nfs/dbraw/zinc/61/03/31/1012610331.db2.gz PRVMEFGZLZFJNA-AATLZSDMSA-N 1 0 371.525 2.792 20 10 FFCDRO O=C1N(CC(F)F)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001275577796 1012639364 /nfs/dbraw/zinc/63/93/64/1012639364.db2.gz FUKPEIWAZINHBP-SFHVURJKSA-N 1 0 354.397 2.568 20 10 FFCDRO CC(C)CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275598983 1012671625 /nfs/dbraw/zinc/67/16/25/1012671625.db2.gz WJUIEHIFYUGSLU-OAQYLSRUSA-N 1 0 357.498 2.750 20 10 FFCDRO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001275597856 1012672802 /nfs/dbraw/zinc/67/28/02/1012672802.db2.gz KGEXWQVONCKWEJ-INIZCTEOSA-N 1 0 357.498 2.545 20 10 FFCDRO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001275597888 1012674157 /nfs/dbraw/zinc/67/41/57/1012674157.db2.gz KYQJBLLHZBWREA-LJQANCHMSA-N 1 0 359.514 2.507 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275598495 1012676237 /nfs/dbraw/zinc/67/62/37/1012676237.db2.gz PSVNWJHYUIXTPJ-KKSFZXQISA-N 1 0 357.498 2.892 20 10 FFCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924716799 1017443847 /nfs/dbraw/zinc/44/38/47/1017443847.db2.gz QSSROWFEFJCPET-PNBKFKSVSA-N 1 0 363.477 2.586 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000827364199 1017772477 /nfs/dbraw/zinc/77/24/77/1017772477.db2.gz CIOONLRLVAJBHK-UHFFFAOYSA-N 1 0 367.493 2.845 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2F)C[C@H](C)O1 ZINC000827365313 1017775980 /nfs/dbraw/zinc/77/59/80/1017775980.db2.gz OYGXFLFIFSQTQJ-QEEYODRMSA-N 1 0 371.456 2.756 20 10 FFCDRO CCO[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C[NH+](C)C ZINC000926837357 1018267570 /nfs/dbraw/zinc/26/75/70/1018267570.db2.gz SWCDJTDCJRHISU-IBGZPJMESA-N 1 0 364.534 2.639 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3CCCO)cc2)CC1 ZINC000926872204 1018275054 /nfs/dbraw/zinc/27/50/54/1018275054.db2.gz AXFVRYPFEXKLPP-NQIIRXRSSA-N 1 0 373.541 2.809 20 10 FFCDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662266 1018602243 /nfs/dbraw/zinc/60/22/43/1018602243.db2.gz PVNNZYDPLUBFAZ-UHFFFAOYSA-N 1 0 363.502 2.652 20 10 FFCDRO CCC[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000827686275 1018611418 /nfs/dbraw/zinc/61/14/18/1018611418.db2.gz XGHOAZXFCRCYIK-HXUWFJFHSA-N 1 0 359.514 2.650 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000827798151 1018692822 /nfs/dbraw/zinc/69/28/22/1018692822.db2.gz LYIWCLOCFQYBGM-FQEVSTJZSA-N 1 0 371.525 2.889 20 10 FFCDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000901131007 1018759944 /nfs/dbraw/zinc/75/99/44/1018759944.db2.gz FXGXPJNMQDXWAD-UHFFFAOYSA-N 1 0 373.541 2.693 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000929152656 1019292573 /nfs/dbraw/zinc/29/25/73/1019292573.db2.gz CGJZWBIYIHROMQ-RBBKRZOGSA-N 1 0 370.493 2.692 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900025426 1020145640 /nfs/dbraw/zinc/14/56/40/1020145640.db2.gz FRBTYNQQWJTHJJ-UHFFFAOYSA-N 1 0 369.513 2.707 20 10 FFCDRO COc1ccc(N2CC[NH+](CC3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000800327950 1020218099 /nfs/dbraw/zinc/21/80/99/1020218099.db2.gz CLMOWHBPHNXMHC-UHFFFAOYSA-N 1 0 361.486 2.684 20 10 FFCDRO C[C@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CCC1 ZINC000900185584 1020250093 /nfs/dbraw/zinc/25/00/93/1020250093.db2.gz OVUXNXDEYJBIRE-KSSFIOAISA-N 1 0 358.486 2.561 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(N)c(C)c3)cc2F)CC1 ZINC000828877043 1032887387 /nfs/dbraw/zinc/88/73/87/1032887387.db2.gz NUOUZJYOPRGWRE-UHFFFAOYSA-N 1 0 370.472 2.788 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](Nc4ncccn4)C3)cc2)CC1 ZINC000903022229 1020633806 /nfs/dbraw/zinc/63/38/06/1020633806.db2.gz GKOMWZOOOKNJGS-GOSISDBHSA-N 1 0 367.497 2.778 20 10 FFCDRO COc1cc(O[C@@H]2CCC[NH2+]C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001217962538 1032921514 /nfs/dbraw/zinc/92/15/14/1032921514.db2.gz XXVJEFFQFQQVTP-GFCCVEGCSA-N 1 0 367.401 2.615 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc2ccccc2c1O ZINC000903398466 1020821028 /nfs/dbraw/zinc/82/10/28/1020821028.db2.gz SEMFLUZAPPYZMF-DZGCQCFKSA-N 1 0 350.422 2.971 20 10 FFCDRO O=C([C@H]1C[NH2+]Cc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002468 1032940540 /nfs/dbraw/zinc/94/05/40/1032940540.db2.gz AWFRWLRRBGBENO-QUCCMNQESA-N 1 0 366.461 2.787 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]CC[C@@H]3F)ccc(O)c21 ZINC001218017838 1032956272 /nfs/dbraw/zinc/95/62/72/1032956272.db2.gz WLCSEEVHUGJHPN-ZFWWWQNUSA-N 1 0 355.365 2.637 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116448861 1021224002 /nfs/dbraw/zinc/22/40/02/1021224002.db2.gz BJZKKPAHOVJKGB-MOPGFXCFSA-N 1 0 360.521 2.636 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccnn2C2CC2)[NH+](C)C)cc1 ZINC000934542000 1021278630 /nfs/dbraw/zinc/27/86/30/1021278630.db2.gz BFXCFCHOUFEECP-QGZVFWFLSA-N 1 0 356.474 2.708 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C(=O)NCC(F)(F)F ZINC001116589636 1021297468 /nfs/dbraw/zinc/29/74/68/1021297468.db2.gz ZRADOZHQEUIUIU-YUMQZZPRSA-N 1 0 369.181 2.872 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[NH2+][C@H](C)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218046541 1032969557 /nfs/dbraw/zinc/96/95/57/1032969557.db2.gz SYLXKRRUBOMKQK-YPMHNXCESA-N 1 0 351.402 2.908 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CC2)C3)cc1 ZINC001099179057 1022007823 /nfs/dbraw/zinc/00/78/23/1022007823.db2.gz YJZSRQYLKIBNOR-KXBFYZLASA-N 1 0 355.442 2.843 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[C@H]3CC[NH2+][C@H]3C1)C(=O)c1ccccc1C2=O ZINC001218252674 1033068371 /nfs/dbraw/zinc/06/83/71/1033068371.db2.gz UOCIBCHKCPWRPJ-XNJGSVPQSA-N 1 0 363.413 2.995 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)ccc1F ZINC001119434550 1022762969 /nfs/dbraw/zinc/76/29/69/1022762969.db2.gz FPXNFVNXYJELGK-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001276779469 1033081345 /nfs/dbraw/zinc/08/13/45/1033081345.db2.gz DSIDLAQQUFLAGW-UHFFFAOYSA-N 1 0 362.470 2.808 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000216369694 1022890823 /nfs/dbraw/zinc/89/08/23/1022890823.db2.gz PQZBLXIWCPXSHP-FUHIMQAGSA-N 1 0 359.514 2.758 20 10 FFCDRO CC(C)=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001276781546 1033106612 /nfs/dbraw/zinc/10/66/12/1033106612.db2.gz XXXNPTSLCUIWHQ-FQEVSTJZSA-N 1 0 360.454 2.727 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC001120584187 1023371105 /nfs/dbraw/zinc/37/11/05/1023371105.db2.gz ZCTNCEAHRZXJBU-UWJYYQICSA-N 1 0 372.513 2.512 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1F ZINC000754037936 1023417312 /nfs/dbraw/zinc/41/73/12/1023417312.db2.gz HQYDCBWWIIMSCQ-JYJNAYRXSA-N 1 0 363.477 2.744 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)N([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000077241677 1023559670 /nfs/dbraw/zinc/55/96/70/1023559670.db2.gz ZICLECGTFYSLBE-KRWDZBQOSA-N 1 0 371.525 2.997 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC3CCC3)cc2F)CC1 ZINC000755271860 1023586235 /nfs/dbraw/zinc/58/62/35/1023586235.db2.gz GBZPPFHKFOSUTJ-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(O)c1 ZINC000756457563 1023713288 /nfs/dbraw/zinc/71/32/88/1023713288.db2.gz RPYYRMZCJVTZJT-ZBFHGGJFSA-N 1 0 370.449 2.676 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1)c1cc(F)ccc1O ZINC000756472240 1023715597 /nfs/dbraw/zinc/71/55/97/1023715597.db2.gz ZWHJYRABFRCXBE-AWEZNQCLSA-N 1 0 358.413 2.855 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000756527005 1023722694 /nfs/dbraw/zinc/72/26/94/1023722694.db2.gz VIUJTVVGEZTSMI-RBZFPXEDSA-N 1 0 353.422 2.606 20 10 FFCDRO COc1c(C)c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc2c1C(=O)c1ccccc1C2=O ZINC001218445673 1033158640 /nfs/dbraw/zinc/15/86/40/1033158640.db2.gz YNQCWDAQYXBNPI-JJJFATQHSA-N 1 0 363.413 2.908 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756856843 1023759900 /nfs/dbraw/zinc/75/99/00/1023759900.db2.gz LUIARJQRYACWAF-APWZRJJASA-N 1 0 356.466 2.725 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4onc(C)c43)cc2F)CC1 ZINC000192452004 1024168290 /nfs/dbraw/zinc/16/82/90/1024168290.db2.gz WBXOKVUSAQDJPT-UHFFFAOYSA-N 1 0 370.432 2.819 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1 ZINC000758616237 1024218696 /nfs/dbraw/zinc/21/86/96/1024218696.db2.gz XKRUKEFNRIEJFR-KRWDZBQOSA-N 1 0 354.450 2.929 20 10 FFCDRO C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137855233 1033220497 /nfs/dbraw/zinc/22/04/97/1033220497.db2.gz QWIZCEVPUDEUSH-CRAIPNDOSA-N 1 0 354.450 2.667 20 10 FFCDRO COCCN1C[C@@H]2C[N@H+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1=O ZINC001137857141 1033226132 /nfs/dbraw/zinc/22/61/32/1033226132.db2.gz BCGNQNGKYNQARH-FPOVZHCZSA-N 1 0 367.493 2.631 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000245658743 1025483780 /nfs/dbraw/zinc/48/37/80/1025483780.db2.gz CWWPGWOGFPPIDB-MJGOQNOKSA-N 1 0 372.513 2.542 20 10 FFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143713 1025518492 /nfs/dbraw/zinc/51/84/92/1025518492.db2.gz GYZKOQYHHUVWKB-IBGZPJMESA-N 1 0 359.514 2.590 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3(C(C)C)CC3)CC2)cc1 ZINC000837392153 1025770117 /nfs/dbraw/zinc/77/01/17/1025770117.db2.gz SXJIGSUZMQTYOA-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COC(C)(C)CC)cc2F)CC1 ZINC000837402610 1025780055 /nfs/dbraw/zinc/78/00/55/1025780055.db2.gz LOLDFEBQGBBGTH-UHFFFAOYSA-N 1 0 365.493 2.789 20 10 FFCDRO Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1OCC[NH+](C)C ZINC000838179971 1026246003 /nfs/dbraw/zinc/24/60/03/1026246003.db2.gz JVCPLGJWQAVRGV-UITAMQMPSA-N 1 0 356.422 2.999 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H]1C ZINC000838533324 1026402295 /nfs/dbraw/zinc/40/22/95/1026402295.db2.gz LZZLGTAHUSFCEO-IAGOWNOFSA-N 1 0 356.514 2.768 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)cc1 ZINC000838799371 1026508350 /nfs/dbraw/zinc/50/83/50/1026508350.db2.gz NBNJBEKSPFEFCX-UHFFFAOYSA-N 1 0 354.454 2.781 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1O ZINC000838906647 1026530932 /nfs/dbraw/zinc/53/09/32/1026530932.db2.gz LQMXJUNTPBFJMZ-CVEARBPZSA-N 1 0 367.449 2.896 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cn3cccnc3n2)C1 ZINC000838946596 1026546279 /nfs/dbraw/zinc/54/62/79/1026546279.db2.gz YCJRKEXFFKLQPU-MRXNPFEDSA-N 1 0 371.872 2.843 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NC(=O)Nc2ccccc2)c1 ZINC000839539749 1026723143 /nfs/dbraw/zinc/72/31/43/1026723143.db2.gz NWYQWWKGUWFAIH-ZDUSSCGKSA-N 1 0 357.410 2.790 20 10 FFCDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000839542191 1026724033 /nfs/dbraw/zinc/72/40/33/1026724033.db2.gz QKDZRPLEMPIEJV-HNNXBMFYSA-N 1 0 355.438 2.556 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000839541814 1026724550 /nfs/dbraw/zinc/72/45/50/1026724550.db2.gz ZUHUYRIOIKCODT-DENIHFKCSA-N 1 0 367.493 2.736 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000840103719 1026958051 /nfs/dbraw/zinc/95/80/51/1026958051.db2.gz DYTSRMISAUIDDA-CQSZACIVSA-N 1 0 372.421 2.605 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1C ZINC001158784802 1027136540 /nfs/dbraw/zinc/13/65/40/1027136540.db2.gz UMUNPJUAVSYDTH-NQIIRXRSSA-N 1 0 365.477 2.991 20 10 FFCDRO O=C(CC1(O)CCCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126554 1027228617 /nfs/dbraw/zinc/22/86/17/1027228617.db2.gz QCCWIYNOQIJZQH-UHFFFAOYSA-N 1 0 371.525 2.530 20 10 FFCDRO Cc1ccc(O)c(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000093359097 1027700291 /nfs/dbraw/zinc/70/02/91/1027700291.db2.gz NFDLISHZROBXRC-UHFFFAOYSA-N 1 0 351.450 2.940 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001161134777 1028028957 /nfs/dbraw/zinc/02/89/57/1028028957.db2.gz NGUZHADPYQUIID-RXVVDRJESA-N 1 0 359.514 2.650 20 10 FFCDRO Cn1cnc2ncnc(N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c21 ZINC001155629779 1028824312 /nfs/dbraw/zinc/82/43/12/1028824312.db2.gz PANXETXFXSVYNX-BSDSXHPESA-N 1 0 364.497 2.763 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccccc2O)[C@H](c2cnn(C)c2)C1 ZINC000827960224 1028875291 /nfs/dbraw/zinc/87/52/91/1028875291.db2.gz LCBFALZMYWZGDV-SNRMKQJTSA-N 1 0 370.497 2.817 20 10 FFCDRO Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c(O)c1O ZINC000780959332 1028895937 /nfs/dbraw/zinc/89/59/37/1028895937.db2.gz MIKBQUQDFNPNHU-UHFFFAOYSA-N 1 0 356.422 2.615 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(O)cc3O)c2)CC1 ZINC000781006199 1028931753 /nfs/dbraw/zinc/93/17/53/1028931753.db2.gz KCQFQLYQJIWMCO-UHFFFAOYSA-N 1 0 355.438 2.881 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157434227 1029585964 /nfs/dbraw/zinc/58/59/64/1029585964.db2.gz NPFYGMNZMOGHAC-HWLIBYHHSA-N 1 0 358.482 2.516 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc2=O ZINC000782655866 1029776016 /nfs/dbraw/zinc/77/60/16/1029776016.db2.gz YOXUTZSTWLBKHM-LBPRGKRZSA-N 1 0 374.363 2.678 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000840932678 1029931104 /nfs/dbraw/zinc/93/11/04/1029931104.db2.gz HYQYAKXOEHVKFB-HXUWFJFHSA-N 1 0 358.482 2.737 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000840943194 1029939449 /nfs/dbraw/zinc/93/94/49/1029939449.db2.gz LKMNRGCHLPRIFY-LJQANCHMSA-N 1 0 367.493 2.831 20 10 FFCDRO OCC1([C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)CCOCC1 ZINC000840972327 1029954775 /nfs/dbraw/zinc/95/47/75/1029954775.db2.gz KYKFRNYYUYJIQQ-FQEVSTJZSA-N 1 0 371.433 2.741 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000840976174 1029957693 /nfs/dbraw/zinc/95/76/93/1029957693.db2.gz MUPPQGJGLTVWQZ-QGZVFWFLSA-N 1 0 364.497 2.817 20 10 FFCDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000841037255 1029993431 /nfs/dbraw/zinc/99/34/31/1029993431.db2.gz ZXCGMTIKFXOILU-AWEZNQCLSA-N 1 0 357.454 2.835 20 10 FFCDRO COc1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000841042070 1029997580 /nfs/dbraw/zinc/99/75/80/1029997580.db2.gz HJAHTDNIDIBUMV-KRWDZBQOSA-N 1 0 359.470 2.568 20 10 FFCDRO COc1cc2c(cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1)O[C@@H](C)C2 ZINC000841043901 1029997749 /nfs/dbraw/zinc/99/77/49/1029997749.db2.gz RHDSQZCKDQUQRX-LIRRHRJNSA-N 1 0 355.482 2.874 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccnn2-c2ccc(F)cc2)cc1 ZINC000841042756 1029997970 /nfs/dbraw/zinc/99/79/70/1029997970.db2.gz NGKDESVYOKNETH-HXUWFJFHSA-N 1 0 353.445 2.867 20 10 FFCDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000841093589 1030031837 /nfs/dbraw/zinc/03/18/37/1030031837.db2.gz MHXAZUYVADQLPY-HNNXBMFYSA-N 1 0 368.481 2.678 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000841094194 1030033834 /nfs/dbraw/zinc/03/38/34/1030033834.db2.gz QGIBYJOENQRQEL-ZIAGYGMSSA-N 1 0 354.454 2.588 20 10 FFCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000783715167 1030246575 /nfs/dbraw/zinc/24/65/75/1030246575.db2.gz IUUJGLHBCHXZBA-QGZVFWFLSA-N 1 0 363.458 2.822 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841709988 1030422491 /nfs/dbraw/zinc/42/24/91/1030422491.db2.gz QYHABZNWSMDYOA-HXUWFJFHSA-N 1 0 356.514 2.960 20 10 FFCDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 ZINC000841749054 1030444557 /nfs/dbraw/zinc/44/45/57/1030444557.db2.gz BKIOBUCBZAOBAR-OXQOHEQNSA-N 1 0 374.529 2.713 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1F ZINC000841760864 1030449331 /nfs/dbraw/zinc/44/93/31/1030449331.db2.gz MGEPEJFAZOJVJZ-UHFFFAOYSA-N 1 0 358.461 2.605 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000841778980 1030461122 /nfs/dbraw/zinc/46/11/22/1030461122.db2.gz JRHCGDFHNIJHMG-DNVCBOLYSA-N 1 0 360.502 2.575 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2ccccc2O)Cc2cn(CC3CCOCC3)nc21 ZINC001203552068 1030759168 /nfs/dbraw/zinc/75/91/68/1030759168.db2.gz YWOQBUUKKBWSOC-LJQANCHMSA-N 1 0 371.481 2.761 20 10 FFCDRO COc1cccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c1O ZINC001203600139 1030782052 /nfs/dbraw/zinc/78/20/52/1030782052.db2.gz SBKCZFPXHQLMNB-UHFFFAOYSA-N 1 0 356.422 2.543 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1O ZINC001203608325 1030784386 /nfs/dbraw/zinc/78/43/86/1030784386.db2.gz LZAMWWQVQLSXQY-ROUUACIJSA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c1O ZINC001203609263 1030785557 /nfs/dbraw/zinc/78/55/57/1030785557.db2.gz DNRCQDDRAGJKNY-UHFFFAOYSA-N 1 0 368.477 2.963 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(c3ccccc3C(=O)OC)CC2)c1O ZINC001203614306 1030786708 /nfs/dbraw/zinc/78/67/08/1030786708.db2.gz VWCMIJKZBZWXSM-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c(O)c1 ZINC001203621710 1030788186 /nfs/dbraw/zinc/78/81/86/1030788186.db2.gz GZUFECOPAHKLTD-MRXNPFEDSA-N 1 0 357.454 2.673 20 10 FFCDRO COc1ccc(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001203622061 1030789329 /nfs/dbraw/zinc/78/93/29/1030789329.db2.gz NASLOOZAHPIQET-UHFFFAOYSA-N 1 0 358.486 2.798 20 10 FFCDRO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001203622931 1030791704 /nfs/dbraw/zinc/79/17/04/1030791704.db2.gz FWUZEKXSRGEVIA-CEWLAPEOSA-N 1 0 370.449 2.744 20 10 FFCDRO COc1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c(O)c1 ZINC001203629971 1030794988 /nfs/dbraw/zinc/79/49/88/1030794988.db2.gz PJCVLNDOKREUFM-UHFFFAOYSA-N 1 0 362.433 2.854 20 10 FFCDRO Cc1nccnc1O[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648110 1030805727 /nfs/dbraw/zinc/80/57/27/1030805727.db2.gz DRNWCBJVPSICFC-AWEZNQCLSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001203680781 1030824342 /nfs/dbraw/zinc/82/43/42/1030824342.db2.gz DQPUJCJNIZBNCS-OAHLLOKOSA-N 1 0 358.413 2.934 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203678707 1030825588 /nfs/dbraw/zinc/82/55/88/1030825588.db2.gz UFQAIFOZFWJIHH-UHFFFAOYSA-N 1 0 370.449 2.505 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723470 1030925897 /nfs/dbraw/zinc/92/58/97/1030925897.db2.gz DSEDIZPFWPPDOC-QWNKOJSDSA-N 1 0 372.490 2.590 20 10 FFCDRO COc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccc(O)c(O)c4)C3)CC2=O)cc1 ZINC001203878516 1030952908 /nfs/dbraw/zinc/95/29/08/1030952908.db2.gz VEGVVHLCDSBAPO-NRFANRHFSA-N 1 0 368.433 2.735 20 10 FFCDRO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879129 1030955265 /nfs/dbraw/zinc/95/52/65/1030955265.db2.gz MDGJMUHWIQOOFH-QFIPXVFZSA-N 1 0 364.445 2.998 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC001203931387 1030990519 /nfs/dbraw/zinc/99/05/19/1030990519.db2.gz GOVFKXBQFPJCFZ-OAQYLSRUSA-N 1 0 350.466 2.777 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3C(C)=O)cc1 ZINC001203940761 1030997301 /nfs/dbraw/zinc/99/73/01/1030997301.db2.gz YPZCZLPWHWUTCN-RTWAWAEBSA-N 1 0 359.514 2.745 20 10 FFCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000797604297 1031160106 /nfs/dbraw/zinc/16/01/06/1031160106.db2.gz DEJDHNUKEVTWRA-LJQANCHMSA-N 1 0 360.458 2.543 20 10 FFCDRO COc1c(O)c(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000843116641 1031190020 /nfs/dbraw/zinc/19/00/20/1031190020.db2.gz NNCWYZFHHAYHMY-MRXNPFEDSA-N 1 0 361.373 2.595 20 10 FFCDRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204273726 1031199375 /nfs/dbraw/zinc/19/93/75/1031199375.db2.gz GPNRYWUIHIHBSA-FCHUYYIVSA-N 1 0 366.461 2.862 20 10 FFCDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204273729 1031202686 /nfs/dbraw/zinc/20/26/86/1031202686.db2.gz GPNRYWUIHIHBSA-YADHBBJMSA-N 1 0 366.461 2.862 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001204277863 1031205186 /nfs/dbraw/zinc/20/51/86/1031205186.db2.gz MXSQHPYONDXXBL-ZDUSSCGKSA-N 1 0 369.343 2.950 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001204329234 1031229445 /nfs/dbraw/zinc/22/94/45/1031229445.db2.gz HZMMGRSJYOCLSF-SFHVURJKSA-N 1 0 354.454 2.739 20 10 FFCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)c1O ZINC001143105208 1031236515 /nfs/dbraw/zinc/23/65/15/1031236515.db2.gz MTWOMVXGQIBCOC-MSOLQXFVSA-N 1 0 368.481 2.569 20 10 FFCDRO COc1cc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cc(O)c1O ZINC001204341453 1031237311 /nfs/dbraw/zinc/23/73/11/1031237311.db2.gz CSQJZYKUKOBNAZ-UHFFFAOYSA-N 1 0 367.405 2.757 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc(O)c1O ZINC001204347302 1031242315 /nfs/dbraw/zinc/24/23/15/1031242315.db2.gz PKGZDBGQFKYUFE-OXJNMPFZSA-N 1 0 363.454 2.657 20 10 FFCDRO COc1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204346219 1031243193 /nfs/dbraw/zinc/24/31/93/1031243193.db2.gz HBUXHAVXVGQTOE-UHFFFAOYSA-N 1 0 366.458 2.938 20 10 FFCDRO Cc1cccc(OCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000843299384 1031296039 /nfs/dbraw/zinc/29/60/39/1031296039.db2.gz SKPOTGKTYJSVTE-LJQANCHMSA-N 1 0 355.482 2.955 20 10 FFCDRO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350662 1031343077 /nfs/dbraw/zinc/34/30/77/1031343077.db2.gz SGUBSMZZSUQILY-JXFKEZNVSA-N 1 0 359.514 2.609 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843353083 1031345428 /nfs/dbraw/zinc/34/54/28/1031345428.db2.gz BLADHNHVDAXGKK-FZKQIMNGSA-N 1 0 369.465 2.675 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cc3ccccn3n2)[NH+](C)C)cc1 ZINC001205049904 1031496196 /nfs/dbraw/zinc/49/61/96/1031496196.db2.gz FJUHKYWTKVKHOG-GOSISDBHSA-N 1 0 366.469 2.825 20 10 FFCDRO CCC/C=C\[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150355589 1031703720 /nfs/dbraw/zinc/70/37/20/1031703720.db2.gz YKOHJUHZSBOGNG-RCVQAOCZSA-N 1 0 366.889 2.843 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCc2ccccc21 ZINC000799343797 1031743098 /nfs/dbraw/zinc/74/30/98/1031743098.db2.gz NVXKZQMCDGINGX-QFIPXVFZSA-N 1 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C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCOCC2 ZINC000830622666 1033715172 /nfs/dbraw/zinc/71/51/72/1033715172.db2.gz OOTIWGYTDDLKQN-KRWDZBQOSA-N 1 0 359.514 2.602 20 10 FFCDRO [O-]c1c(F)cccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001138126718 1033808827 /nfs/dbraw/zinc/80/88/27/1033808827.db2.gz ISYRCLZBNRMYAO-UHFFFAOYSA-N 1 0 358.461 2.772 20 10 FFCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000831123460 1033955812 /nfs/dbraw/zinc/95/58/12/1033955812.db2.gz SBUYRZANZMXTOF-CHWSQXEVSA-N 1 0 370.444 2.682 20 10 FFCDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N(Cc1ccco1)Cc1ccccc1O ZINC000831173959 1033978319 /nfs/dbraw/zinc/97/83/19/1033978319.db2.gz URMRUUBDHBLOCP-SFHVURJKSA-N 1 0 355.438 2.839 20 10 FFCDRO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(C)n(C)c3ccccc31)CCO2 ZINC001138257140 1034026334 /nfs/dbraw/zinc/02/63/34/1034026334.db2.gz XRFBPCQIRSIWJB-OAQYLSRUSA-N 1 0 355.482 2.700 20 10 FFCDRO COc1ccc(N(CC(=O)NC2CC[NH+](C3CC3)CC2)CC2CC2)cc1 ZINC000831583186 1034134708 /nfs/dbraw/zinc/13/47/08/1034134708.db2.gz RBRIJTDFPHUMFR-UHFFFAOYSA-N 1 0 357.498 2.655 20 10 FFCDRO CCOCC[NH+](CCOCC)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339928 1034169954 /nfs/dbraw/zinc/16/99/54/1034169954.db2.gz MYBUVQHVHKSBQT-UHFFFAOYSA-N 1 0 362.514 2.966 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)CC[C@H]21 ZINC001138342080 1034172963 /nfs/dbraw/zinc/17/29/63/1034172963.db2.gz YDKXMMMUSHDOGX-VQIMIIECSA-N 1 0 369.509 2.534 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000831727296 1034244679 /nfs/dbraw/zinc/24/46/79/1034244679.db2.gz LMNMIAYCSJGFPT-ROUUACIJSA-N 1 0 352.482 2.951 20 10 FFCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499138 1034338795 /nfs/dbraw/zinc/33/87/95/1034338795.db2.gz ZMJYGWNHFVUDLW-JOCHJYFZSA-N 1 0 373.541 2.598 20 10 FFCDRO F[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH+]1CCCCC1 ZINC001138500609 1034342038 /nfs/dbraw/zinc/34/20/38/1034342038.db2.gz DBEOZYCIULMBGI-LEWJYISDSA-N 1 0 361.505 2.922 20 10 FFCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138500045 1034342217 /nfs/dbraw/zinc/34/22/17/1034342217.db2.gz SCLUHJCNSNERKY-UHFFFAOYSA-N 1 0 371.525 2.746 20 10 FFCDRO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265928 1034686956 /nfs/dbraw/zinc/68/69/56/1034686956.db2.gz BXJFROQEZMWWIN-ZWKOTPCHSA-N 1 0 359.445 2.865 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000832284883 1034702239 /nfs/dbraw/zinc/70/22/39/1034702239.db2.gz NTDWYBPHJHTXIG-OALUTQOASA-N 1 0 351.450 2.629 20 10 FFCDRO Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293187 1034705180 /nfs/dbraw/zinc/70/51/80/1034705180.db2.gz RAKZRRGDHUZCTB-HXUWFJFHSA-N 1 0 371.529 2.581 20 10 FFCDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000832564646 1034863365 /nfs/dbraw/zinc/86/33/65/1034863365.db2.gz IQJHPTVMTZDXSC-HNNXBMFYSA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(O)cc1Br ZINC001277191970 1034981093 /nfs/dbraw/zinc/98/10/93/1034981093.db2.gz UGZVUFDLMVKICR-INIZCTEOSA-N 1 0 353.260 2.517 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(C)(NC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001139412341 1035097077 /nfs/dbraw/zinc/09/70/77/1035097077.db2.gz HDWQXCDDVOJNOF-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1O ZINC001140181953 1035370639 /nfs/dbraw/zinc/37/06/39/1035370639.db2.gz YGJJCDWNSLJKAB-RBUKOAKNSA-N 1 0 351.450 2.779 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)C1 ZINC000834523248 1035403666 /nfs/dbraw/zinc/40/36/66/1035403666.db2.gz QSCCKFVMOHVBLO-HKUYNNGSSA-N 1 0 365.477 2.871 20 10 FFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CCOCC1 ZINC000834531389 1035404597 /nfs/dbraw/zinc/40/45/97/1035404597.db2.gz YJZGCGBIAAHPFD-KRWDZBQOSA-N 1 0 362.514 2.569 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCc4cc5c(cc4C3)OCO5)cc2)CC1 ZINC001140282719 1035417398 /nfs/dbraw/zinc/41/73/98/1035417398.db2.gz IFHHLHHQVDPXQM-UHFFFAOYSA-N 1 0 366.461 2.935 20 10 FFCDRO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140283232 1035418065 /nfs/dbraw/zinc/41/80/65/1035418065.db2.gz PUGFTZZAHXPHJX-QZTJIDSGSA-N 1 0 372.431 2.783 20 10 FFCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140286104 1035419642 /nfs/dbraw/zinc/41/96/42/1035419642.db2.gz XYCLTPPVFHELFI-UHFFFAOYSA-N 1 0 360.498 2.813 20 10 FFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140302382 1035425716 /nfs/dbraw/zinc/42/57/16/1035425716.db2.gz QEMQRYWJXGFZTK-FQEVSTJZSA-N 1 0 373.541 2.994 20 10 FFCDRO COC(=O)COc1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140428659 1035474639 /nfs/dbraw/zinc/47/46/39/1035474639.db2.gz KNRVQNAQXAHICQ-UHFFFAOYSA-N 1 0 357.406 2.598 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000835027946 1035489806 /nfs/dbraw/zinc/48/98/06/1035489806.db2.gz IRFFNPYMEYDQJH-BBIZLLLXSA-N 1 0 354.498 2.945 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000835034568 1035490964 /nfs/dbraw/zinc/49/09/64/1035490964.db2.gz BLOMSAXXQMINGR-WAYWQWQTSA-N 1 0 373.522 2.806 20 10 FFCDRO COc1cccc(C(=O)NCC[NH2+]C/C=C/c2ccc(N(C)C)cc2)c1 ZINC000835038740 1035491751 /nfs/dbraw/zinc/49/17/51/1035491751.db2.gz YNCBQALJMYOOJB-AATRIKPKSA-N 1 0 353.466 2.794 20 10 FFCDRO COC1C[C@@H]2COC[C@H](C1)N2Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198848 1035495344 /nfs/dbraw/zinc/49/53/44/1035495344.db2.gz KHFQSQWJOSELIU-SJPCQFCGSA-N 1 0 366.889 2.555 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001277204833 1035530015 /nfs/dbraw/zinc/53/00/15/1035530015.db2.gz YMSBGSNNTQCPNX-IIBYNOLFSA-N 1 0 358.482 2.944 20 10 FFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)CC[C@H]21 ZINC001232260362 1035532047 /nfs/dbraw/zinc/53/20/47/1035532047.db2.gz WBYQMCBLFXTWPN-SWLSCSKDSA-N 1 0 352.862 2.830 20 10 FFCDRO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1)N1CCCCC1 ZINC001232261950 1035533485 /nfs/dbraw/zinc/53/34/85/1035533485.db2.gz VKZUDEMCWDGBTF-ZDUSSCGKSA-N 1 0 352.862 2.976 20 10 FFCDRO CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001232261807 1035533751 /nfs/dbraw/zinc/53/37/51/1035533751.db2.gz POYWGVXOIWBLPF-LJQANCHMSA-N 1 0 358.825 2.871 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)cc1Cl ZINC001232265282 1035536419 /nfs/dbraw/zinc/53/64/19/1035536419.db2.gz IMPCNCMTFZLNOJ-XYYAHUGASA-N 1 0 364.873 2.791 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)c1 ZINC001140620544 1035745414 /nfs/dbraw/zinc/74/54/14/1035745414.db2.gz RVWYVIUCUGRIDG-OAQYLSRUSA-N 1 0 351.450 2.720 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)c1 ZINC001140621840 1035749339 /nfs/dbraw/zinc/74/93/39/1035749339.db2.gz RGWRYQGOEQRRQH-SVFBPWRDSA-N 1 0 372.509 2.986 20 10 FFCDRO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140623210 1035751165 /nfs/dbraw/zinc/75/11/65/1035751165.db2.gz LFMQKGACHUMJKN-HXUWFJFHSA-N 1 0 368.477 2.950 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001140661874 1035813493 /nfs/dbraw/zinc/81/34/93/1035813493.db2.gz WFPZEKOEZFXZEH-UHFFFAOYSA-N 1 0 361.505 2.970 20 10 FFCDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140663763 1035815180 /nfs/dbraw/zinc/81/51/80/1035815180.db2.gz ORBBZNIYYFGLRH-UHFFFAOYSA-N 1 0 364.461 2.828 20 10 FFCDRO CN(C)c1ccc(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)cc1 ZINC001227939908 1035822997 /nfs/dbraw/zinc/82/29/97/1035822997.db2.gz FUIXRMAEIWHUAP-FUHWJXTLSA-N 1 0 361.486 2.825 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c1O ZINC001140747392 1036044102 /nfs/dbraw/zinc/04/41/02/1036044102.db2.gz BJBGMLFWYXQYJE-UHFFFAOYSA-N 1 0 355.394 2.855 20 10 FFCDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccc(O)c(C)c4O)C[C@@H]3C2=O)c1 ZINC001140747923 1036045165 /nfs/dbraw/zinc/04/51/65/1036045165.db2.gz DFUJYCGYFDGECD-OALUTQOASA-N 1 0 366.461 2.805 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1O ZINC001140750020 1036053957 /nfs/dbraw/zinc/05/39/57/1036053957.db2.gz SNZBIOQZDNVSOZ-OAHLLOKOSA-N 1 0 358.413 2.940 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1O ZINC001140750099 1036054231 /nfs/dbraw/zinc/05/42/31/1036054231.db2.gz VHWOIEFQWNKETQ-QGZVFWFLSA-N 1 0 358.413 2.940 20 10 FFCDRO COc1ccc(CC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H](C)O)cc1 ZINC001232833700 1036087035 /nfs/dbraw/zinc/08/70/35/1036087035.db2.gz CVPJJSVVXAIRNA-MRXNPFEDSA-N 1 0 358.482 2.892 20 10 FFCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(I)cc1O ZINC001232973804 1036200565 /nfs/dbraw/zinc/20/05/65/1036200565.db2.gz AUXVFPLDGPMJQQ-QWRGUYRKSA-N 1 0 361.223 2.590 20 10 FFCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(I)cc1O ZINC001232973802 1036201552 /nfs/dbraw/zinc/20/15/52/1036201552.db2.gz AUXVFPLDGPMJQQ-MNOVXSKESA-N 1 0 361.223 2.590 20 10 FFCDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233012680 1036246883 /nfs/dbraw/zinc/24/68/83/1036246883.db2.gz PROTYARYHPYEHL-UHFFFAOYSA-N 1 0 372.421 2.525 20 10 FFCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111461 1036357282 /nfs/dbraw/zinc/35/72/82/1036357282.db2.gz OVKZOKFCUVPFPK-CQSZACIVSA-N 1 0 355.276 2.954 20 10 FFCDRO CC[NH+]1C[C@H]2CN(Cc3cc(Br)c(OC)cc3O)C[C@@H]2C1 ZINC001233142402 1036392390 /nfs/dbraw/zinc/39/23/90/1036392390.db2.gz OVHQKYCDXQSHLM-STQMWFEESA-N 1 0 355.276 2.547 20 10 FFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233142442 1036393424 /nfs/dbraw/zinc/39/34/24/1036393424.db2.gz PAEHGECTTGXCMS-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO CC(=O)N(C)C1C[NH+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233197186 1036432212 /nfs/dbraw/zinc/43/22/12/1036432212.db2.gz FUHGCZSLIURBSO-UHFFFAOYSA-N 1 0 363.255 2.970 20 10 FFCDRO CCOC(=O)c1c(C[NH+]2CCC3(CC(=O)CO3)CC2)c2ccccc2n1C ZINC001233270307 1036478684 /nfs/dbraw/zinc/47/86/84/1036478684.db2.gz IUCRQPGVTGOSEC-UHFFFAOYSA-N 1 0 370.449 2.679 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c2ccccc2n1C ZINC001233272556 1036479788 /nfs/dbraw/zinc/47/97/88/1036479788.db2.gz POZCXSZSFIPJRK-HNNXBMFYSA-N 1 0 371.481 2.655 20 10 FFCDRO Cn1cc(N2C[C@@H]3C[N@H+](Cc4cc(C(C)(C)C)ccc4O)C[C@@H]3C2=O)cn1 ZINC001233285460 1036492372 /nfs/dbraw/zinc/49/23/72/1036492372.db2.gz GYKYQFDLGZNPKG-YJBOKZPZSA-N 1 0 368.481 2.518 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C(=O)OC(C)(C)C)[C@H]3C2)c(O)c1 ZINC001140948169 1036538879 /nfs/dbraw/zinc/53/88/79/1036538879.db2.gz WGBLVEVYCGKBJL-WMZOPIPTSA-N 1 0 362.470 2.911 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)c(O)c1 ZINC001140949845 1036545723 /nfs/dbraw/zinc/54/57/23/1036545723.db2.gz NBNUSCHRVDNVKE-GGPKGHCWSA-N 1 0 358.482 2.550 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)c(O)c1 ZINC001140949734 1036546312 /nfs/dbraw/zinc/54/63/12/1036546312.db2.gz KETYKASMRNDSPL-OAQYLSRUSA-N 1 0 368.481 2.610 20 10 FFCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453328 1036634375 /nfs/dbraw/zinc/63/43/75/1036634375.db2.gz DDOSBYILIUCEPD-GFCCVEGCSA-N 1 0 355.360 2.886 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)n1 ZINC001233455687 1036634992 /nfs/dbraw/zinc/63/49/92/1036634992.db2.gz VCHOSMALUWHCQS-CYBMUJFWSA-N 1 0 369.343 2.863 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)cc1O ZINC001233486350 1036656247 /nfs/dbraw/zinc/65/62/47/1036656247.db2.gz JRHNFFRRMHTHDK-UHFFFAOYSA-N 1 0 367.405 2.790 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3c(O)cc(OC)cc3OC)CC2)cc1 ZINC001141031584 1036775775 /nfs/dbraw/zinc/77/57/75/1036775775.db2.gz IDHKJDLHEWUJQD-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c(OC)c1 ZINC001141031588 1036776385 /nfs/dbraw/zinc/77/63/85/1036776385.db2.gz IFCCSAHXGJHUNH-HUUCEWRRSA-N 1 0 367.339 2.637 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CCN([C@@H](C)C(C)=O)C3=O)CC2)c(O)c1 ZINC001277825874 1036875760 /nfs/dbraw/zinc/87/57/60/1036875760.db2.gz FSUJKSSVXYSTRG-HNNXBMFYSA-N 1 0 358.482 2.747 20 10 FFCDRO CN1CCC2(CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)C1=O ZINC001141077803 1036930010 /nfs/dbraw/zinc/93/00/10/1036930010.db2.gz ADOUAMTVAYQKDJ-UHFFFAOYSA-N 1 0 353.510 2.830 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141077851 1036930224 /nfs/dbraw/zinc/93/02/24/1036930224.db2.gz CISDTJBLCILMHB-UHFFFAOYSA-N 1 0 351.498 2.894 20 10 FFCDRO c1c(CN2CCO[C@H](C[NH+]3CCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141078963 1036932146 /nfs/dbraw/zinc/93/21/46/1036932146.db2.gz OWKBNHFLJAZHRD-OAQYLSRUSA-N 1 0 355.526 2.682 20 10 FFCDRO COc1c(O[C@H](C)C[NH+](C)C)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001234129779 1036932893 /nfs/dbraw/zinc/93/28/93/1036932893.db2.gz KHCXXVCNBZYFJT-GFCCVEGCSA-N 1 0 369.417 2.814 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)OCC1=O ZINC001277427952 1036958640 /nfs/dbraw/zinc/95/86/40/1036958640.db2.gz ZJWSEZSMHXEDLG-AUUYWEPGSA-N 1 0 366.889 2.956 20 10 FFCDRO CCOC(=O)N1CCC(Oc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC001234658223 1037126670 /nfs/dbraw/zinc/12/66/70/1037126670.db2.gz XWNZOCFATIHBLR-UHFFFAOYSA-N 1 0 361.486 2.828 20 10 FFCDRO C[N@@H+]1CC[C@@H](Oc2c(O)c(=O)cc3[nH]c(-c4ccccc4)cc(O)c2-3)C1 ZINC001234678470 1037137945 /nfs/dbraw/zinc/13/79/45/1037137945.db2.gz APHSXVSKLIJYAT-CYBMUJFWSA-N 1 0 352.390 2.689 20 10 FFCDRO C[N@@H+]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC001230458898 1037287754 /nfs/dbraw/zinc/28/77/54/1037287754.db2.gz UUORFWYFJOPWBH-AEFFLSMTSA-N 1 0 361.392 2.915 20 10 FFCDRO c1c(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001235007025 1037298592 /nfs/dbraw/zinc/29/85/92/1037298592.db2.gz JEWVZZHEFNZZBX-JOCHJYFZSA-N 1 0 355.526 2.587 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H](C2)O3)c(O)c1 ZINC001235336818 1037488430 /nfs/dbraw/zinc/48/84/30/1037488430.db2.gz BUFZPHVJXMHWGK-BGYRXZFFSA-N 1 0 361.530 2.971 20 10 FFCDRO COCCN1CCC(Oc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001231266213 1037518294 /nfs/dbraw/zinc/51/82/94/1037518294.db2.gz QIQCEXOGMLOHEP-UHFFFAOYSA-N 1 0 365.429 2.952 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1O ZINC001235400174 1037527967 /nfs/dbraw/zinc/52/79/67/1037527967.db2.gz CKKUFYFPLRMPEE-GOEBONIOSA-N 1 0 357.267 2.987 20 10 FFCDRO COc1ccc(Br)c(C[N@@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001231547989 1037671804 /nfs/dbraw/zinc/67/18/04/1037671804.db2.gz NCICFAMWGRTJAL-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)c(O)c1 ZINC001235678558 1037676589 /nfs/dbraw/zinc/67/65/89/1037676589.db2.gz DIEMTUZOAYIJII-MJGOQNOKSA-N 1 0 368.481 2.569 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)ncn1 ZINC001235681841 1037680278 /nfs/dbraw/zinc/68/02/78/1037680278.db2.gz RFJFAQYCUNHLQS-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO COc1ccc(Br)c(CN(C)Cc2cnc(C)nc2)c1O ZINC001231558108 1037682772 /nfs/dbraw/zinc/68/27/72/1037682772.db2.gz XNLUKJJYRMYISO-UHFFFAOYSA-N 1 0 352.232 2.894 20 10 FFCDRO CC(C)(C)OC(=O)COCCOCC[NH2+]Cc1ccc(Cl)cc1O ZINC001207757308 1037697540 /nfs/dbraw/zinc/69/75/40/1037697540.db2.gz ISQGHZKNGYWWFK-UHFFFAOYSA-N 1 0 359.850 2.510 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CN1c1cncnc1 ZINC001231588479 1037706429 /nfs/dbraw/zinc/70/64/29/1037706429.db2.gz MUTUFPVKUBCCBI-QFIPXVFZSA-N 1 0 374.444 2.964 20 10 FFCDRO Oc1ccc2ccccc2c1C[N@@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001231588428 1037709792 /nfs/dbraw/zinc/70/97/92/1037709792.db2.gz WKJLRPXIVKYTCG-UHFFFAOYSA-N 1 0 374.448 2.788 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@H]3C[N@H+](Cc4cccc(C)c4O)CCN3C2)n1 ZINC001231592836 1037711932 /nfs/dbraw/zinc/71/19/32/1037711932.db2.gz VGYBTRCPBVYOSU-LEWJYISDSA-N 1 0 367.493 2.879 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231634399 1037754581 /nfs/dbraw/zinc/75/45/81/1037754581.db2.gz LYGOBMYKXWRVLA-UHFFFAOYSA-N 1 0 352.431 2.596 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c(O)cc1O ZINC001231637587 1037758670 /nfs/dbraw/zinc/75/86/70/1037758670.db2.gz NJYHEFRRKNWPDV-UZLBHIALSA-N 1 0 370.449 2.730 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001207822545 1037759090 /nfs/dbraw/zinc/75/90/90/1037759090.db2.gz BFVUESCJFKDTSG-ZWKOTPCHSA-N 1 0 360.523 2.807 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(O)cc1O ZINC001231636630 1037759677 /nfs/dbraw/zinc/75/96/77/1037759677.db2.gz YTFZWLCBNVPDRG-SECBINFHSA-N 1 0 373.331 2.888 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC001231851215 1037948135 /nfs/dbraw/zinc/94/81/35/1037948135.db2.gz AAQAXNOARHBRQS-ZOCIIQOWSA-N 1 0 372.469 2.805 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001231851672 1037948762 /nfs/dbraw/zinc/94/87/62/1037948762.db2.gz AQXFJIIZLRVMHY-SJLPKXTDSA-N 1 0 367.497 2.510 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001231854520 1037950448 /nfs/dbraw/zinc/95/04/48/1037950448.db2.gz FDHMZISOXPOQTR-UHFFFAOYSA-N 1 0 371.525 2.986 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001231853502 1037952361 /nfs/dbraw/zinc/95/23/61/1037952361.db2.gz YVFRCCMPQOHDIO-OALUTQOASA-N 1 0 357.498 2.737 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001231858077 1037957137 /nfs/dbraw/zinc/95/71/37/1037957137.db2.gz REISTCXKOKCGSK-UHFFFAOYSA-N 1 0 360.502 2.531 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)CC[C@@H]21 ZINC001231867476 1037965224 /nfs/dbraw/zinc/96/52/24/1037965224.db2.gz KXXNALYCOQAVEQ-WMZOPIPTSA-N 1 0 352.862 2.566 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC001231878264 1037971721 /nfs/dbraw/zinc/97/17/21/1037971721.db2.gz HTMAYEDRCVSENN-PMACEKPBSA-N 1 0 354.450 2.757 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231912730 1038007541 /nfs/dbraw/zinc/00/75/41/1038007541.db2.gz UXQAIMHLMYSZKA-AWEZNQCLSA-N 1 0 354.878 2.941 20 10 FFCDRO [O-]c1c(Cl)cccc1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001231911080 1038008474 /nfs/dbraw/zinc/00/84/74/1038008474.db2.gz AQYMXIISPDZBFI-MSOLQXFVSA-N 1 0 373.884 2.916 20 10 FFCDRO COc1ccc(N2CCN(Cc3cc4ncccc4[nH]3)CC2)c(OC)c1 ZINC001232068206 1038148738 /nfs/dbraw/zinc/14/87/38/1038148738.db2.gz QJJBUKBZHIOMQC-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO COc1cc(CN2CCC([NH+]3CCC3)CC2)c(O)cc1Br ZINC001236751134 1038236496 /nfs/dbraw/zinc/23/64/96/1038236496.db2.gz PXLOAIYNEJAHQX-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ncncc3C)CC2)cc1OC ZINC001236753298 1038240676 /nfs/dbraw/zinc/24/06/76/1038240676.db2.gz KAATUZLUPSFZMD-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c(Cl)c1 ZINC001236796216 1038274741 /nfs/dbraw/zinc/27/47/41/1038274741.db2.gz CXLKTSBUILUOQG-AWEZNQCLSA-N 1 0 352.862 2.745 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)c(Cl)c1 ZINC001236794719 1038275423 /nfs/dbraw/zinc/27/54/23/1038275423.db2.gz DNDIWCYECKGRND-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3c(O)cc(OC)cc3Cl)C2)nc1 ZINC001236805404 1038280208 /nfs/dbraw/zinc/28/02/08/1038280208.db2.gz FOGXRIXQLDVMJS-NSHDSACASA-N 1 0 365.817 2.506 20 10 FFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1c(O)cc(OC)cc1Cl)CC2 ZINC001236806436 1038281126 /nfs/dbraw/zinc/28/11/26/1038281126.db2.gz WFXJMTVPEDTBSU-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001236807957 1038282112 /nfs/dbraw/zinc/28/21/12/1038282112.db2.gz IMQPQCAPZMQRPK-IAGOWNOFSA-N 1 0 353.466 2.668 20 10 FFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236931885 1038363447 /nfs/dbraw/zinc/36/34/47/1038363447.db2.gz UGCLEUCXXOMKNE-GOSISDBHSA-N 1 0 352.862 2.562 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001237042360 1038417808 /nfs/dbraw/zinc/41/78/08/1038417808.db2.gz ZWSTZKXXCHWPJC-IYBDPMFKSA-N 1 0 356.422 2.588 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(O)c1 ZINC001237042548 1038418282 /nfs/dbraw/zinc/41/82/82/1038418282.db2.gz IWSMKFMNYGLDRP-MORSLUCNSA-N 1 0 359.426 2.834 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)c(O)c1 ZINC001237040626 1038418640 /nfs/dbraw/zinc/41/86/40/1038418640.db2.gz JINKXRJPNYIIHQ-NRFANRHFSA-N 1 0 367.449 2.815 20 10 FFCDRO CC(C)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c(O)c1 ZINC001237050671 1038423970 /nfs/dbraw/zinc/42/39/70/1038423970.db2.gz GHFQYEORQVUXRI-QGZVFWFLSA-N 1 0 364.486 2.929 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237060605 1038428279 /nfs/dbraw/zinc/42/82/79/1038428279.db2.gz VSMSRMDWWHATOD-UHFFFAOYSA-N 1 0 372.387 2.920 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001237063121 1038430334 /nfs/dbraw/zinc/43/03/34/1038430334.db2.gz SDQBZDGBVDGWJT-CYBMUJFWSA-N 1 0 356.348 2.762 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)[C@@H]1C ZINC001237068932 1038433821 /nfs/dbraw/zinc/43/38/21/1038433821.db2.gz WGSXVTYWCYJOCE-ZYHUDNBSSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)n1 ZINC001237143711 1038454716 /nfs/dbraw/zinc/45/47/16/1038454716.db2.gz MHHZKLAWHUTSQV-CYBMUJFWSA-N 1 0 369.343 2.863 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@@H](C)Cc3ccccn3)CC2)cc1 ZINC001256427026 1038510306 /nfs/dbraw/zinc/51/03/06/1038510306.db2.gz UPUDOOUFUBEZNC-SFHVURJKSA-N 1 0 355.482 2.860 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001256448996 1038517552 /nfs/dbraw/zinc/51/75/52/1038517552.db2.gz VSXXRHGUJXUYSQ-MRRJBJDNSA-N 1 0 366.458 2.509 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCN1C(=O)OC(C)(C)C ZINC001256452135 1038517653 /nfs/dbraw/zinc/51/76/53/1038517653.db2.gz KGWGHBSKRLKKSK-OCCSQVGLSA-N 1 0 366.458 2.724 20 10 FFCDRO Cc1ncsc1CN1[C@H]2COC[C@@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC001278615142 1038816809 /nfs/dbraw/zinc/81/68/09/1038816809.db2.gz LUTRHDNVHWHIBW-CALCHBBNSA-N 1 0 359.495 2.551 20 10 FFCDRO O=C1c2cccc(NC[C@@]3(O)CCC[NH2+]C3)c2C(=O)c2cccc(Cl)c21 ZINC001245966304 1039166840 /nfs/dbraw/zinc/16/68/40/1039166840.db2.gz LQWNKTAMOFUTSE-HXUWFJFHSA-N 1 0 370.836 2.642 20 10 FFCDRO COC(=O)c1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001537484216 1070193001 /nfs/dbraw/zinc/19/30/01/1070193001.db2.gz VMZFGGWMUOPQKD-IBGZPJMESA-N 1 0 369.465 2.572 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC(C)(C)O3)cc2)CC1 ZINC001246381235 1039331464 /nfs/dbraw/zinc/33/14/64/1039331464.db2.gz CXQGNOAQILXFPW-LJQANCHMSA-N 1 0 374.529 2.585 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CCN1 ZINC001246517599 1039381210 /nfs/dbraw/zinc/38/12/10/1039381210.db2.gz ALIZFYBSOKBLRH-URLQWDBASA-N 1 0 360.498 2.906 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC001252849678 1039739076 /nfs/dbraw/zinc/73/90/76/1039739076.db2.gz KGOVNKJBRUYPTH-OAQYLSRUSA-N 1 0 374.456 2.707 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC001247849678 1039989365 /nfs/dbraw/zinc/98/93/65/1039989365.db2.gz LQABXUANZDYOHN-JXFKEZNVSA-N 1 0 350.422 2.632 20 10 FFCDRO COc1cc(I)cc(C[NH+]2CC3CC(C3)C2)c1O ZINC001248405350 1040260816 /nfs/dbraw/zinc/26/08/16/1040260816.db2.gz HGMNDKBLORFBTC-UHFFFAOYSA-N 1 0 359.207 2.847 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCC(COC)CC2)c(O)c1 ZINC001249725506 1040963036 /nfs/dbraw/zinc/96/30/36/1040963036.db2.gz PEDIZBXUVGZGNL-UHFFFAOYSA-N 1 0 365.470 2.973 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)cc1Br ZINC001250133097 1041124779 /nfs/dbraw/zinc/12/47/79/1041124779.db2.gz HZQVGDXVXHUPHH-UHFFFAOYSA-N 1 0 367.287 2.907 20 10 FFCDRO C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001278561270 1041175392 /nfs/dbraw/zinc/17/53/92/1041175392.db2.gz XVWXYAGNOMKFLA-BLLLJJGKSA-N 1 0 358.313 2.767 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC001261501648 1041273606 /nfs/dbraw/zinc/27/36/06/1041273606.db2.gz IJKRPCVONGYNFN-KRWDZBQOSA-N 1 0 367.440 2.905 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC001261816567 1041434292 /nfs/dbraw/zinc/43/42/92/1041434292.db2.gz ODZRXWHQDJHXFC-KDURUIRLSA-N 1 0 351.450 2.540 20 10 FFCDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3ccc(O)c(O)c3)n2)CC1 ZINC001215304389 1041731153 /nfs/dbraw/zinc/73/11/53/1041731153.db2.gz MKOABLWVUMRVSR-UHFFFAOYSA-N 1 0 352.394 2.567 20 10 FFCDRO Cc1cncc(/C=C\C(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC001263228885 1042185915 /nfs/dbraw/zinc/18/59/15/1042185915.db2.gz YAHKJKMAQKPBFN-RJCMGOLDSA-N 1 0 363.461 2.912 20 10 FFCDRO CC(C)NC(=O)N1CCCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1 ZINC001279225313 1042951868 /nfs/dbraw/zinc/95/18/68/1042951868.db2.gz DWWPJWZYHGEVME-UHFFFAOYSA-N 1 0 361.486 2.894 20 10 FFCDRO CC(C)NC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001279225249 1042952048 /nfs/dbraw/zinc/95/20/48/1042952048.db2.gz ASZCFEUTUHEDDK-HXUWFJFHSA-N 1 0 361.486 2.894 20 10 FFCDRO Cc1ncsc1CN1[C@H]2COC[C@@H]1C[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001279234999 1042958380 /nfs/dbraw/zinc/95/83/80/1042958380.db2.gz KAOSTUFNLKILIA-CALCHBBNSA-N 1 0 373.522 2.859 20 10 FFCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2c(C)ccc(C)c2O)C3)n(C)n1 ZINC001279235845 1042959231 /nfs/dbraw/zinc/95/92/31/1042959231.db2.gz WMAIJEUFRPQWLX-MJGOQNOKSA-N 1 0 354.498 2.757 20 10 FFCDRO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001279323863 1043000815 /nfs/dbraw/zinc/00/08/15/1043000815.db2.gz LDIXAACMXIMQTQ-UHFFFAOYSA-N 1 0 351.494 2.738 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237401213 1043142022 /nfs/dbraw/zinc/14/20/22/1043142022.db2.gz CAOOGFHOZFJBFH-RISCZKNCSA-N 1 0 355.276 2.737 20 10 FFCDRO COc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)cc1Br ZINC001237409415 1043145918 /nfs/dbraw/zinc/14/59/18/1043145918.db2.gz AMLHLIIMELFJOH-SMDDNHRTSA-N 1 0 355.276 2.737 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc2n1C ZINC001237410247 1043146081 /nfs/dbraw/zinc/14/60/81/1043146081.db2.gz CJKHEZNXJNEHJW-MAUKXSAKSA-N 1 0 355.482 2.929 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c1O ZINC001279473860 1043155319 /nfs/dbraw/zinc/15/53/19/1043155319.db2.gz FEYXQUIIAAAYTR-HOTGVXAUSA-N 1 0 362.861 2.626 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCN(C(=O)c3cnccn3)C2)CC1 ZINC001237487577 1043200004 /nfs/dbraw/zinc/20/00/04/1043200004.db2.gz BQZLMMICEUJWSM-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001279514936 1043211519 /nfs/dbraw/zinc/21/15/19/1043211519.db2.gz VWEFLWOGAJNZRS-IYBDPMFKSA-N 1 0 374.403 2.680 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237671807 1043301768 /nfs/dbraw/zinc/30/17/68/1043301768.db2.gz BLXDUAFTFISRBP-FOIQADDNSA-N 1 0 365.470 2.817 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c(OC)c1 ZINC001237675175 1043302833 /nfs/dbraw/zinc/30/28/33/1043302833.db2.gz BCQBRTAHNAURIC-KDURUIRLSA-N 1 0 368.477 2.973 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c(O)c(OC)c1 ZINC001237674548 1043303824 /nfs/dbraw/zinc/30/38/24/1043303824.db2.gz UHAJUXPQSNZSKE-QKDCVEJESA-N 1 0 374.481 2.536 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(N3CCOCC3)CC2)cc1Br ZINC001237678174 1043305001 /nfs/dbraw/zinc/30/50/01/1043305001.db2.gz VRTPVRKEBUDFPM-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3ncncc3C)CC2)c(O)c(OC)c1 ZINC001237684059 1043311814 /nfs/dbraw/zinc/31/18/14/1043311814.db2.gz LYFLTWOSFUXFLS-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(I)c1[O-] ZINC001237779610 1043352833 /nfs/dbraw/zinc/35/28/33/1043352833.db2.gz KUSFWKUKEROZEL-UHFFFAOYSA-N 1 0 374.266 2.915 20 10 FFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cccc(I)c2O)C1 ZINC001237784286 1043355681 /nfs/dbraw/zinc/35/56/81/1043355681.db2.gz SZJNZVMHZJPBRS-CYBMUJFWSA-N 1 0 372.250 2.665 20 10 FFCDRO C[NH+]1CC2(C1)CCCN(Cc1ccc(I)cc1O)C2 ZINC001279677083 1043451229 /nfs/dbraw/zinc/45/12/29/1043451229.db2.gz XQXVPPKAQCABCJ-UHFFFAOYSA-N 1 0 372.250 2.524 20 10 FFCDRO Oc1cc(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)cc(O)c1O ZINC001279682544 1043459851 /nfs/dbraw/zinc/45/98/51/1043459851.db2.gz SMQHIHOCQWGOOU-QWHCGFSZSA-N 1 0 360.376 2.652 20 10 FFCDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[O-])cc1 ZINC000756283010 1043569286 /nfs/dbraw/zinc/56/92/86/1043569286.db2.gz XPJYSJPLUOIWQQ-HXUWFJFHSA-N 1 0 353.466 2.662 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])c3ccccc3)cc2)CC1 ZINC000756309002 1043578713 /nfs/dbraw/zinc/57/87/13/1043578713.db2.gz OHBFKTYFWJBICU-HXUWFJFHSA-N 1 0 367.493 2.787 20 10 FFCDRO COc1ccc(N2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c(OC)c1 ZINC001279758555 1043596069 /nfs/dbraw/zinc/59/60/69/1043596069.db2.gz ISMTYSSNGMQQEQ-UHFFFAOYSA-N 1 0 361.530 2.948 20 10 FFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)cc1O)N1CCCC12CC2 ZINC001279845133 1043764267 /nfs/dbraw/zinc/76/42/67/1043764267.db2.gz FHCDQTDKWQVCKK-SPLQCWDRSA-N 1 0 356.466 2.757 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NC(C)(C)C)CC2)cc(O)c1O ZINC001279860173 1043785042 /nfs/dbraw/zinc/78/50/42/1043785042.db2.gz IXNAFPJPMPUHFG-CQSZACIVSA-N 1 0 362.470 2.623 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnn3ccccc23)[NH+](C)C)cc1 ZINC001311045306 1043787485 /nfs/dbraw/zinc/78/74/85/1043787485.db2.gz DOZFVOKXMCGXBA-IBGZPJMESA-N 1 0 366.469 2.825 20 10 FFCDRO CC(C)(C)NC(=O)c1[nH]nc2c1CN(Cc1cc(Cl)ccc1O)CC2 ZINC001279982024 1044030809 /nfs/dbraw/zinc/03/08/09/1044030809.db2.gz MHQUHBFCXWRBEJ-UHFFFAOYSA-N 1 0 362.861 2.855 20 10 FFCDRO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)cc(C)c1O ZINC001280027843 1044102130 /nfs/dbraw/zinc/10/21/30/1044102130.db2.gz MIOKBHACWHUMKE-ROUUACIJSA-N 1 0 358.461 2.905 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001280067680 1044161862 /nfs/dbraw/zinc/16/18/62/1044161862.db2.gz LSZXDCJANKAYFZ-SIKLNZKXSA-N 1 0 353.510 2.863 20 10 FFCDRO CCN(C(=O)C12CC([NH2+]Cc3ccc4c(c3)OCCN4C)(C1)C2)C(C)C ZINC001280080001 1044181167 /nfs/dbraw/zinc/18/11/67/1044181167.db2.gz AVNXKXOMMVQKJM-UHFFFAOYSA-N 1 0 357.498 2.784 20 10 FFCDRO O=C(N1CC(F)(C2CC2)C1)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2 ZINC001280321460 1044602526 /nfs/dbraw/zinc/60/25/26/1044602526.db2.gz QMIKBZCGFVUGDH-UHFFFAOYSA-N 1 0 356.441 2.594 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)c1O ZINC001280347019 1044635604 /nfs/dbraw/zinc/63/56/04/1044635604.db2.gz YIQWJHSWKDDNFP-XOIINTDNSA-N 1 0 352.425 2.848 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(F)(C3CC3)C2)c1O ZINC001280349864 1044640142 /nfs/dbraw/zinc/64/01/42/1044640142.db2.gz WEVGZZBKTBVYOH-IERDGZPVSA-N 1 0 358.457 2.934 20 10 FFCDRO NC(=O)COC1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC001319045758 1045002400 /nfs/dbraw/zinc/00/24/00/1045002400.db2.gz LJDQHKQBBIFBKY-UHFFFAOYSA-N 1 0 354.406 2.758 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001323831850 1045742564 /nfs/dbraw/zinc/74/25/64/1045742564.db2.gz ZSZXSYHPXNSSFC-NVXWUHKLSA-N 1 0 359.514 2.829 20 10 FFCDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324588886 1046117179 /nfs/dbraw/zinc/11/71/79/1046117179.db2.gz PTKSHCSMRCYOLZ-KRWDZBQOSA-N 1 0 350.526 2.788 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)cc2F)CC1 ZINC001327121413 1047196373 /nfs/dbraw/zinc/19/63/73/1047196373.db2.gz QMFHTJYYUTVJET-ICSRJNTNSA-N 1 0 361.505 2.969 20 10 FFCDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001328764190 1048456208 /nfs/dbraw/zinc/45/62/08/1048456208.db2.gz KGOHJRLXBHLCHE-ZDUSSCGKSA-N 1 0 372.419 2.919 20 10 FFCDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)Cc1ccccc1 ZINC000829003973 1048617129 /nfs/dbraw/zinc/61/71/29/1048617129.db2.gz WFXWOGRAGXHQNI-UXHICEINSA-N 1 0 368.477 2.860 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3ccsc3)cc2F)CC1 ZINC001329251386 1048635865 /nfs/dbraw/zinc/63/58/65/1048635865.db2.gz DSTLRACXBXGVFJ-LJQANCHMSA-N 1 0 363.502 2.636 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)c(O)c1OC ZINC001333706477 1049068053 /nfs/dbraw/zinc/06/80/53/1049068053.db2.gz IHFGZAHGHZCYOL-UHFFFAOYSA-N 1 0 356.422 2.826 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)cc2F)CC1 ZINC001330427255 1049162985 /nfs/dbraw/zinc/16/29/85/1049162985.db2.gz XESIYBOZJSNWTQ-OKZBNKHCSA-N 1 0 374.504 2.955 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2CC3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC001334303686 1049359835 /nfs/dbraw/zinc/35/98/35/1049359835.db2.gz OGVHONWCZZRFOQ-HQVVEAJESA-N 1 0 366.456 2.842 20 10 FFCDRO CC[NH+](CC)C1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001341536930 1050166561 /nfs/dbraw/zinc/16/65/61/1050166561.db2.gz AQUCGYPFJJLOLG-UHFFFAOYSA-N 1 0 362.537 2.884 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])cc1F ZINC001341606102 1050232179 /nfs/dbraw/zinc/23/21/79/1050232179.db2.gz ZHOVLHFEQWMBEY-HNNXBMFYSA-N 1 0 359.449 2.592 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001298280668 1050408088 /nfs/dbraw/zinc/40/80/88/1050408088.db2.gz HSTWCLCEHNOFOW-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2c1OCC[NH2+]C2 ZINC001340046172 1050457188 /nfs/dbraw/zinc/45/71/88/1050457188.db2.gz XFRGIFMDSFMGSU-UHFFFAOYSA-N 1 0 351.450 2.699 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[NH+](C)C)cc1 ZINC001340611148 1050993524 /nfs/dbraw/zinc/99/35/24/1050993524.db2.gz SSOCTHUPIXXIHJ-YRPNKDGESA-N 1 0 374.529 2.612 20 10 FFCDRO CCn1c(C2SC=CC2=O)nnc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001340902361 1051230882 /nfs/dbraw/zinc/23/08/82/1051230882.db2.gz IKWBPNKYRRIFCV-CYBMUJFWSA-N 1 0 370.482 2.842 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncoc2[C@H]2CCCO2)[NH+](C)C)cc1 ZINC001342706219 1051322764 /nfs/dbraw/zinc/32/27/64/1051322764.db2.gz AAYAQJCQCJHJRN-DLBZAZTESA-N 1 0 372.469 2.625 20 10 FFCDRO CCCSC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001343138699 1051759917 /nfs/dbraw/zinc/75/99/17/1051759917.db2.gz HMYOOQLJIHMHNS-HNNXBMFYSA-N 1 0 356.557 2.543 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccccc3N(C)C)CC2)cc1 ZINC001308227920 1052434135 /nfs/dbraw/zinc/43/41/35/1052434135.db2.gz WUJCRAIZYQTRHA-UHFFFAOYSA-N 1 0 368.525 2.673 20 10 FFCDRO CCON(C)C(=O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308458214 1052458364 /nfs/dbraw/zinc/45/83/64/1052458364.db2.gz UKHNMRMLNNXWPB-UHFFFAOYSA-N 1 0 353.466 2.749 20 10 FFCDRO C[C@@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N2CCOCC2)cc1 ZINC001346237605 1052799999 /nfs/dbraw/zinc/79/99/99/1052799999.db2.gz FPHCCJQBZASNHU-ZJSJBZJDSA-N 1 0 371.525 2.821 20 10 FFCDRO [NH3+][C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001335933429 1053652155 /nfs/dbraw/zinc/65/21/55/1053652155.db2.gz HULKOHZIIKPSCI-CVEARBPZSA-N 1 0 370.419 2.708 20 10 FFCDRO Cn1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1C1CC1 ZINC001336707913 1054153863 /nfs/dbraw/zinc/15/38/63/1054153863.db2.gz WJJDMLFTJVTIHT-UHFFFAOYSA-N 1 0 354.498 2.796 20 10 FFCDRO Nc1ccc(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC001336892274 1054320053 /nfs/dbraw/zinc/32/00/53/1054320053.db2.gz UHVNSDSHVGIWFX-UHFFFAOYSA-N 1 0 370.419 2.873 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)o1 ZINC000848917247 1055362651 /nfs/dbraw/zinc/36/26/51/1055362651.db2.gz DUVHOFRQWUROAY-HNNXBMFYSA-N 1 0 358.438 2.999 20 10 FFCDRO CNc1cc(CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccn1 ZINC001350891727 1055984871 /nfs/dbraw/zinc/98/48/71/1055984871.db2.gz CMRWFYYCMXFXFD-UHFFFAOYSA-N 1 0 369.469 2.600 20 10 FFCDRO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000849230063 1056803968 /nfs/dbraw/zinc/80/39/68/1056803968.db2.gz AASZQPUPBNFQMM-UWJYYQICSA-N 1 0 367.493 2.785 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)C2)cc1 ZINC000849321265 1056827411 /nfs/dbraw/zinc/82/74/11/1056827411.db2.gz ATTHGJICNDHAMP-GHTZIAJQSA-N 1 0 365.477 2.883 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2C)cc1 ZINC001353860856 1058297325 /nfs/dbraw/zinc/29/73/25/1058297325.db2.gz KJIOYFRHKHVXBS-HXUWFJFHSA-N 1 0 353.466 2.927 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1C ZINC001507198317 1059606639 /nfs/dbraw/zinc/60/66/39/1059606639.db2.gz SUQMWQPCJREOAA-OKZBNKHCSA-N 1 0 362.514 2.643 20 10 FFCDRO Cc1ncc(/C=C\C(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)s1 ZINC001355233860 1060019458 /nfs/dbraw/zinc/01/94/58/1060019458.db2.gz UVPBAHWVIKDWPZ-SHUKXNKTSA-N 1 0 369.490 2.974 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23OCCO3)ccc1N1CCCCC1 ZINC001461671440 1061375429 /nfs/dbraw/zinc/37/54/29/1061375429.db2.gz SQYFOADQUIJIEB-GOSISDBHSA-N 1 0 361.442 2.970 20 10 FFCDRO Cc1ccc(CC[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1C ZINC001462417683 1061614170 /nfs/dbraw/zinc/61/41/70/1061614170.db2.gz MCQBNYLYSRMMIH-UHFFFAOYSA-N 1 0 372.534 2.871 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C[NH3+])[C@H](C)C3)ccc21 ZINC001523028068 1062364167 /nfs/dbraw/zinc/36/41/67/1062364167.db2.gz MRJXHBRVIKXTIF-RDTXWAMCSA-N 1 0 357.498 2.961 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001465954082 1063276311 /nfs/dbraw/zinc/27/63/11/1063276311.db2.gz MKWQZHRDPZGKAR-KRWDZBQOSA-N 1 0 358.413 2.908 20 10 FFCDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001441442139 1063438019 /nfs/dbraw/zinc/43/80/19/1063438019.db2.gz DWKLGUYBYQBOOP-UHFFFAOYSA-N 1 0 358.438 3.000 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(Cl)ccn3)cc2)CC1 ZINC001466513007 1063463046 /nfs/dbraw/zinc/46/30/46/1063463046.db2.gz FLEZKBMCSRFKJH-UHFFFAOYSA-N 1 0 359.861 2.809 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CCC4(CC4)CC3)cc2)CC1 ZINC001470078215 1064254022 /nfs/dbraw/zinc/25/40/22/1064254022.db2.gz OWLCAWQZWGHOJW-UHFFFAOYSA-N 1 0 356.514 2.960 20 10 FFCDRO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC001473329736 1065241859 /nfs/dbraw/zinc/24/18/59/1065241859.db2.gz OSVOXNWHGBPJLG-AUSJPIAWSA-N 1 0 365.470 2.926 20 10 FFCDRO COc1ccccc1CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473910446 1065418523 /nfs/dbraw/zinc/41/85/23/1065418523.db2.gz OONQUGHKMLEUBX-UHFFFAOYSA-N 1 0 357.473 2.918 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC001474030784 1065442083 /nfs/dbraw/zinc/44/20/83/1065442083.db2.gz BAKOBWDBEPETGT-CXAGYDPISA-N 1 0 351.454 2.504 20 10 FFCDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC001474276432 1065483039 /nfs/dbraw/zinc/48/30/39/1065483039.db2.gz WBQULBDIFIFUAC-INIZCTEOSA-N 1 0 360.458 2.686 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC001474506248 1065539081 /nfs/dbraw/zinc/53/90/81/1065539081.db2.gz QNCSYQVISVTYHP-UHFFFAOYSA-N 1 0 359.495 2.566 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3c[nH]nn3)C2)c(C(F)(F)F)c1 ZINC001576757916 1078271660 /nfs/dbraw/zinc/27/16/60/1078271660.db2.gz QHHFPGZYOQZPOY-LBPRGKRZSA-N 1 0 353.392 2.954 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1CC(F)(F)C[NH3+] ZINC001578496346 1078482142 /nfs/dbraw/zinc/48/21/42/1078482142.db2.gz CIQIJMMCPWOGNK-UHFFFAOYSA-N 1 0 365.428 2.872 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001579617195 1078651088 /nfs/dbraw/zinc/65/10/88/1078651088.db2.gz MVANKZXMPIBIBA-UWJYYQICSA-N 1 0 358.530 2.777 20 10 FFCDRO [NH3+][C@@H]1CCSC2(CC(C(=O)NCc3ccc4cccnc4c3O)C2)C1 ZINC001580198065 1078763603 /nfs/dbraw/zinc/76/36/03/1078763603.db2.gz CJFANRGPBJLXMM-XAUUPUKJSA-N 1 0 357.479 2.560 20 10 FFCDRO Cc1ccc(F)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC001583475489 1079220542 /nfs/dbraw/zinc/22/05/42/1079220542.db2.gz IPWNBSQEKCNICM-UHFFFAOYSA-N 1 0 359.420 2.955 20 10 FFCDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC001563045679 1075276784 /nfs/dbraw/zinc/27/67/84/1075276784.db2.gz LOYNGLXMMGMKSD-KRWDZBQOSA-N 1 0 357.458 2.581 20 10 FFCDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 ZINC001560283713 1076260292 /nfs/dbraw/zinc/26/02/92/1076260292.db2.gz HVPFKAJAJUJTIU-NSHGMRRFSA-N 1 0 359.514 2.682 20 10 FFCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001560754192 1076296677 /nfs/dbraw/zinc/29/66/77/1076296677.db2.gz BWFKYEDSZZEWKU-UHFFFAOYSA-N 1 0 356.422 2.902 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1Cl ZINC001560987131 1076316670 /nfs/dbraw/zinc/31/66/70/1076316670.db2.gz SFZUEQXBNAMNRO-UHFFFAOYSA-N 1 0 360.907 2.694 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2C(C)(C)C2(F)F)[NH+](C)C)cc1 ZINC001565125634 1076687644 /nfs/dbraw/zinc/68/76/44/1076687644.db2.gz UUQANTGADZSSIB-HZPDHXFCSA-N 1 0 368.472 2.946 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)/C=C\Cl)cc2)CC1 ZINC001565272816 1076707416 /nfs/dbraw/zinc/70/74/16/1076707416.db2.gz CGQHIVLARPFTIH-HJWRWDBZSA-N 1 0 350.894 2.769 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC001565667367 1076751828 /nfs/dbraw/zinc/75/18/28/1076751828.db2.gz CMQRWXDKKNBKBS-HNNXBMFYSA-N 1 0 355.482 2.739 20 10 FFCDRO O=S(=O)(c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1)N1CCCC1 ZINC000054175680 506507530 /nfs/dbraw/zinc/50/75/30/506507530.db2.gz ICXGKBYTXAYNQW-UHFFFAOYSA-N 1 0 372.490 2.696 20 10 FFCDRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054491612 506566896 /nfs/dbraw/zinc/56/68/96/506566896.db2.gz GNHVTBPQJWKMBG-UHFFFAOYSA-N 1 0 368.433 2.824 20 10 FFCDRO COc1ccc(N2CCC3(CC2)NC(=[NH2+])Nc2nc4ccccc4n23)cc1 ZINC000066738791 506627148 /nfs/dbraw/zinc/62/71/48/506627148.db2.gz QQWGHZDHICVOJK-UHFFFAOYSA-N 1 0 362.437 2.548 20 10 FFCDRO CNC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000066872362 506677567 /nfs/dbraw/zinc/67/75/67/506677567.db2.gz OYXYGDVLDNJMKD-UHFFFAOYSA-N 1 0 353.466 2.767 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000373469744 512348109 /nfs/dbraw/zinc/34/81/09/512348109.db2.gz PHZJJBZBVQAEOL-UHFFFAOYSA-N 1 0 371.861 2.846 20 10 FFCDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1O ZINC000105650166 508379236 /nfs/dbraw/zinc/37/92/36/508379236.db2.gz MILSDYCWQDAFRB-GOSISDBHSA-N 1 0 354.450 2.929 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(N(C)C)cc1 ZINC000371482297 512427498 /nfs/dbraw/zinc/42/74/98/512427498.db2.gz YGDXVZIWSKFFLN-SYNHAJSKSA-N 1 0 358.486 2.514 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1CC[NH+](C)CC1 ZINC000120996271 509105727 /nfs/dbraw/zinc/10/57/27/509105727.db2.gz CXBJBKBTOQNRTF-UHFFFAOYSA-N 1 0 355.276 2.845 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)c1 ZINC000182394376 509214129 /nfs/dbraw/zinc/21/41/29/509214129.db2.gz SGWZNURPPSHJQR-XJKSGUPXSA-N 1 0 356.422 2.866 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186030340 509489276 /nfs/dbraw/zinc/48/92/76/509489276.db2.gz YISOODCKGMBPJI-ZJUUUORDSA-N 1 0 350.278 2.629 20 10 FFCDRO C[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237397982 509639021 /nfs/dbraw/zinc/63/90/21/509639021.db2.gz NPGJVMSRZKAALJ-LAUBAEHRSA-N 1 0 367.493 2.818 20 10 FFCDRO [NH3+]C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000237947396 509782725 /nfs/dbraw/zinc/78/27/25/509782725.db2.gz QBEVXWJQTXSLJS-ZDUSSCGKSA-N 1 0 353.413 2.645 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC000177038370 509830614 /nfs/dbraw/zinc/83/06/14/509830614.db2.gz VWQRTFHZIMKIBV-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180493352 509955969 /nfs/dbraw/zinc/95/59/69/509955969.db2.gz ANKQQEKGWFZSOG-LBPRGKRZSA-N 1 0 352.431 2.632 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000268844380 510095858 /nfs/dbraw/zinc/09/58/58/510095858.db2.gz BGYZWMKTRXAZAY-XLIONFOSSA-N 1 0 358.530 2.667 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194179524 510251175 /nfs/dbraw/zinc/25/11/75/510251175.db2.gz MOXOTQDIFSOCKQ-QGZVFWFLSA-N 1 0 369.465 2.722 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269599906 510477565 /nfs/dbraw/zinc/47/75/65/510477565.db2.gz KNADSYKQCNMXLR-HXUWFJFHSA-N 1 0 357.498 2.546 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2cccc(C)c2O)N2CCOCC2)cc1 ZINC000181624519 510506689 /nfs/dbraw/zinc/50/66/89/510506689.db2.gz XAIKMKSHDLBDGD-HXUWFJFHSA-N 1 0 356.466 2.872 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217943 510552715 /nfs/dbraw/zinc/55/27/15/510552715.db2.gz XRLHOVYJBBDOOK-WDEREUQCSA-N 1 0 370.421 2.990 20 10 FFCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)CC2 ZINC000185318117 510803021 /nfs/dbraw/zinc/80/30/21/510803021.db2.gz MNQUQRAQRZQHRN-JOYOIKCWSA-N 1 0 351.248 2.720 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)C[N@@H+]1C1CC1 ZINC000277613662 510967260 /nfs/dbraw/zinc/96/72/60/510967260.db2.gz VWCLQSQGPXVKTG-ZYHUDNBSSA-N 1 0 368.275 2.579 20 10 FFCDRO CCOC1CC(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1 ZINC000285621616 510981819 /nfs/dbraw/zinc/98/18/19/510981819.db2.gz MSZSXZBIHAIVKI-UHFFFAOYSA-N 1 0 364.486 2.650 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H]3C[C@H](C)n4ccnc43)cc2F)CC1 ZINC000297603891 511005893 /nfs/dbraw/zinc/00/58/93/511005893.db2.gz IEKXYFUPTREJBO-MAUKXSAKSA-N 1 0 357.477 2.960 20 10 FFCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000278777535 511006304 /nfs/dbraw/zinc/00/63/04/511006304.db2.gz VHKZYRBPBFOLMZ-LAUBAEHRSA-N 1 0 371.477 2.905 20 10 FFCDRO CC[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287544068 511053342 /nfs/dbraw/zinc/05/33/42/511053342.db2.gz FFNDUABBLIGILX-LBPRGKRZSA-N 1 0 355.287 2.679 20 10 FFCDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n(C)c1C ZINC000291162542 511161529 /nfs/dbraw/zinc/16/15/29/511161529.db2.gz IRHZJWXDHYZKDS-UHFFFAOYSA-N 1 0 371.481 2.589 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000362642263 511209315 /nfs/dbraw/zinc/20/93/15/511209315.db2.gz RYYFXRKRIRKAMS-CJNGLKHVSA-N 1 0 372.259 2.591 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000280053282 511318588 /nfs/dbraw/zinc/31/85/88/511318588.db2.gz WFGAQHWCDJQDCV-PBEJRMEISA-N 1 0 374.525 2.963 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCc3c2cnn3CCO)ccc1OC ZINC000363093261 511348225 /nfs/dbraw/zinc/34/82/25/511348225.db2.gz CNXSQYHYAGTBSD-SFHVURJKSA-N 1 0 359.470 2.588 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCCN3CCCO[C@@H](C)C3)CC2)cc1 ZINC000365330473 511384052 /nfs/dbraw/zinc/38/40/52/511384052.db2.gz LUQRMDOYXKCFSW-SFHVURJKSA-N 1 0 361.530 2.755 20 10 FFCDRO COC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CCOCC1 ZINC000365474516 511471607 /nfs/dbraw/zinc/47/16/07/511471607.db2.gz MZPZYOTVVOAOGY-KRWDZBQOSA-N 1 0 368.905 2.795 20 10 FFCDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000272352186 511491869 /nfs/dbraw/zinc/49/18/69/511491869.db2.gz YIHPLLZDLSHTQK-STQMWFEESA-N 1 0 364.442 2.856 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280555712 511510220 /nfs/dbraw/zinc/51/02/20/511510220.db2.gz LHJGHTDUOSTLRU-YUVOTWOWSA-N 1 0 364.445 2.701 20 10 FFCDRO C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370220 511523667 /nfs/dbraw/zinc/52/36/67/511523667.db2.gz CJKOGEWYODRTFD-RBSFLKMASA-N 1 0 351.447 2.840 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2F)C[C@H](C)O1 ZINC000273977694 511678429 /nfs/dbraw/zinc/67/84/29/511678429.db2.gz TZOVWEYLBUHGFI-GJZGRUSLSA-N 1 0 371.456 2.828 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+]3C[C@@H](N(C)C)[C@@H](SC)C3)cc2)CC1 ZINC000296327946 511702354 /nfs/dbraw/zinc/70/23/54/511702354.db2.gz PAWUVSRTVSWGNH-UXHICEINSA-N 1 0 363.571 2.779 20 10 FFCDRO CCc1nnc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)nc1CC ZINC000302728198 511710965 /nfs/dbraw/zinc/71/09/65/511710965.db2.gz KQDCFIJEWOPUDJ-UHFFFAOYSA-N 1 0 372.492 2.890 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](CC)c2ccc(C)cc2O)CC1 ZINC000296534017 511784978 /nfs/dbraw/zinc/78/49/78/511784978.db2.gz QPORTPWXINMQPF-PUAOIOHZSA-N 1 0 367.511 2.928 20 10 FFCDRO O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000377797878 512455011 /nfs/dbraw/zinc/45/50/11/512455011.db2.gz AXIAFOBGKKSXNU-GBESFXJTSA-N 1 0 358.482 2.536 20 10 FFCDRO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372413687 512862153 /nfs/dbraw/zinc/86/21/53/512862153.db2.gz PHOBCRXMGKIIFP-HXUWFJFHSA-N 1 0 357.498 2.500 20 10 FFCDRO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368787214 513102824 /nfs/dbraw/zinc/10/28/24/513102824.db2.gz ZMAXFSHOPZPKIC-QFIPXVFZSA-N 1 0 363.461 2.619 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC ZINC000368797779 513107327 /nfs/dbraw/zinc/10/73/27/513107327.db2.gz CORMHFRSWNHUIF-FQEVSTJZSA-N 1 0 354.406 2.505 20 10 FFCDRO C[C@@H]1[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC12CCOCC2 ZINC000368832046 513116823 /nfs/dbraw/zinc/11/68/23/513116823.db2.gz CLEFZJTYOITFKY-KRWDZBQOSA-N 1 0 359.514 2.602 20 10 FFCDRO C[C@H]1[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC12CCOCC2 ZINC000368832047 513117163 /nfs/dbraw/zinc/11/71/63/513117163.db2.gz CLEFZJTYOITFKY-QGZVFWFLSA-N 1 0 359.514 2.602 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](F)[C@@H](F)C2)C1 ZINC000452687056 514457499 /nfs/dbraw/zinc/45/74/99/514457499.db2.gz KJYRDDXLPVGHHG-CALCHBBNSA-N 1 0 361.436 2.926 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCCNc3cc[nH+]cc3)ccc21 ZINC000490092827 515101445 /nfs/dbraw/zinc/10/14/45/515101445.db2.gz TUOUZXGMYISRPV-UHFFFAOYSA-N 1 0 366.465 2.563 20 10 FFCDRO Cn1cc([C@@]2(C[NH2+]Cc3ccc(Br)cc3O)CCCO2)cn1 ZINC000898052539 735307329 /nfs/dbraw/zinc/30/73/29/735307329.db2.gz JEXOGRYCVRGPFL-INIZCTEOSA-N 1 0 366.259 2.684 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c1O ZINC000898719122 735398357 /nfs/dbraw/zinc/39/83/57/735398357.db2.gz BOHWKWNFYJUWIX-GFCCVEGCSA-N 1 0 366.259 2.773 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1 ZINC000898726081 735400684 /nfs/dbraw/zinc/40/06/84/735400684.db2.gz XISSDKKUTOWDOP-LBPRGKRZSA-N 1 0 366.259 2.855 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000745812226 735445630 /nfs/dbraw/zinc/44/56/30/735445630.db2.gz ROKAIJOZHOXLJO-GDBMZVCRSA-N 1 0 350.482 2.954 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000899105705 735447636 /nfs/dbraw/zinc/44/76/36/735447636.db2.gz YTPHFVSWAWDKHF-IRXDYDNUSA-N 1 0 350.532 2.502 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Br)ccc1O ZINC000020546825 727832465 /nfs/dbraw/zinc/83/24/65/727832465.db2.gz ZMJXJKXYDCQIAJ-OAHLLOKOSA-N 1 0 357.292 2.918 20 10 FFCDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCCSc1nccs1 ZINC000081044274 728392511 /nfs/dbraw/zinc/39/25/11/728392511.db2.gz CSKNHJJYWTYFOJ-UHFFFAOYSA-N 1 0 369.556 2.777 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000113354508 728554088 /nfs/dbraw/zinc/55/40/88/728554088.db2.gz SJHWVOVDGPKACU-UHFFFAOYSA-N 1 0 363.255 2.983 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(=O)[nH]c1 ZINC000134260964 728729294 /nfs/dbraw/zinc/72/92/94/728729294.db2.gz XCSIOGSAIDOGJI-OAHLLOKOSA-N 1 0 361.829 2.541 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3cnn4ccccc34)SC2=S)CC1 ZINC000171770480 729012413 /nfs/dbraw/zinc/01/24/13/729012413.db2.gz YFVFVDDOOPYAEU-XNTDXEJSSA-N 1 0 358.492 2.630 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000179367023 729184875 /nfs/dbraw/zinc/18/48/75/729184875.db2.gz AGAMSMIQVGVUPO-LLVKDONJSA-N 1 0 372.259 2.748 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000179904852 729198196 /nfs/dbraw/zinc/19/81/96/729198196.db2.gz GOJYXNISMLCQRQ-UHFFFAOYSA-N 1 0 367.559 2.780 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)s1 ZINC000186141987 729361248 /nfs/dbraw/zinc/36/12/48/729361248.db2.gz JSHXIVGRKUCWAX-NSHDSACASA-N 1 0 358.460 2.530 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000194902955 729524395 /nfs/dbraw/zinc/52/43/95/729524395.db2.gz QFHMVJPBRKQVJP-SNVBAGLBSA-N 1 0 350.260 2.934 20 10 FFCDRO Oc1cccc(Br)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000858141144 730417636 /nfs/dbraw/zinc/41/76/36/730417636.db2.gz LKMITJVQZIOTEI-ZDUSSCGKSA-N 1 0 369.303 2.745 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000858164962 730418328 /nfs/dbraw/zinc/41/83/28/730418328.db2.gz JOHGYSUBRNEZOP-XJKSGUPXSA-N 1 0 350.212 2.739 20 10 FFCDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858175106 730418735 /nfs/dbraw/zinc/41/87/35/730418735.db2.gz HMMMOYVMQYRLKA-ABAIWWIYSA-N 1 0 366.259 2.898 20 10 FFCDRO CC1(C)C[N@H+](Cc2c(O)cccc2Br)C[C@]2(CCOC2)O1 ZINC000862350928 730690398 /nfs/dbraw/zinc/69/03/98/730690398.db2.gz JNIPMGUGPBOZJL-INIZCTEOSA-N 1 0 356.260 2.925 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000862355234 730691201 /nfs/dbraw/zinc/69/12/01/730691201.db2.gz MGZQEUKJYMSZJR-OAHLLOKOSA-N 1 0 353.457 2.575 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000862385024 730695205 /nfs/dbraw/zinc/69/52/05/730695205.db2.gz NUPHIGMQBACICD-ZOWXZIJZSA-N 1 0 356.260 2.517 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(F)c1 ZINC000865462448 730958146 /nfs/dbraw/zinc/95/81/46/730958146.db2.gz KYCRKIIBAVUERW-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCn3nccc32)c1O ZINC000865871398 731006165 /nfs/dbraw/zinc/00/61/65/731006165.db2.gz HMKNYJOWMJALTE-GFCCVEGCSA-N 1 0 352.232 2.985 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCCn3nccc32)c1O ZINC000865871400 731006673 /nfs/dbraw/zinc/00/66/73/731006673.db2.gz HMKNYJOWMJALTE-LBPRGKRZSA-N 1 0 352.232 2.985 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2csc(C3CC[NH2+]CC3)n2)c1 ZINC000870882015 731569669 /nfs/dbraw/zinc/56/96/69/731569669.db2.gz RYPSKGSMCLUORE-LLVKDONJSA-N 1 0 361.467 2.815 20 10 FFCDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000872111797 731730676 /nfs/dbraw/zinc/73/06/76/731730676.db2.gz DSEOHNXOLSEOKR-GJZGRUSLSA-N 1 0 350.434 2.656 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000872150242 731734411 /nfs/dbraw/zinc/73/44/11/731734411.db2.gz ZHYAPXLIESRIEJ-GWCFXTLKSA-N 1 0 350.768 2.817 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1Cn1cccn1 ZINC000873135671 731879633 /nfs/dbraw/zinc/87/96/33/731879633.db2.gz KZSXIMIVLSEFNK-GAKIBJFNSA-N 1 0 361.511 2.719 20 10 FFCDRO CSC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOCC1 ZINC000877066104 732320564 /nfs/dbraw/zinc/32/05/64/732320564.db2.gz CQUVFMGGPZMJKN-UHFFFAOYSA-N 1 0 350.528 2.650 20 10 FFCDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cc(Br)ccc3O)C2)c1 ZINC000877521329 732379682 /nfs/dbraw/zinc/37/96/82/732379682.db2.gz WAKZPXMLWCALRW-UHFFFAOYSA-N 1 0 367.203 2.753 20 10 FFCDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000877686595 732413682 /nfs/dbraw/zinc/41/36/82/732413682.db2.gz QZXSNFWSHRQMTK-LJQANCHMSA-N 1 0 351.443 2.581 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c1O ZINC000927147502 738696705 /nfs/dbraw/zinc/69/67/05/738696705.db2.gz SLKPCRIWQHBWIT-CMPLNLGQSA-N 1 0 365.275 2.800 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCCS3)cc2F)CC1 ZINC000783047954 738775383 /nfs/dbraw/zinc/77/53/83/738775383.db2.gz XSZACXYFUPULIO-GOSISDBHSA-N 1 0 365.518 2.870 20 10 FFCDRO CN(CCOCC[NH2+][C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000706677421 734361618 /nfs/dbraw/zinc/36/16/18/734361618.db2.gz KQYYKDRUXSXIHG-HNNXBMFYSA-N 1 0 350.459 2.853 20 10 FFCDRO CC(C)c1nnc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891250583 734405028 /nfs/dbraw/zinc/40/50/28/734405028.db2.gz XPXLVKCMGPAGQK-HNNXBMFYSA-N 1 0 361.515 2.760 20 10 FFCDRO Cc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891250666 734405135 /nfs/dbraw/zinc/40/51/35/734405135.db2.gz BUKGZUCJTJMCNU-INIZCTEOSA-N 1 0 361.877 2.537 20 10 FFCDRO Cc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)s1 ZINC000891253138 734405407 /nfs/dbraw/zinc/40/54/07/734405407.db2.gz RBDQHLDUETWAGT-SFHVURJKSA-N 1 0 360.527 2.788 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000891391849 734423854 /nfs/dbraw/zinc/42/38/54/734423854.db2.gz RICGYZLRJFFMHM-HNNXBMFYSA-N 1 0 354.445 2.577 20 10 FFCDRO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(O)c1OC ZINC000891845826 734483225 /nfs/dbraw/zinc/48/32/25/734483225.db2.gz TVRRQNKCJQTKJN-INIZCTEOSA-N 1 0 351.443 2.569 20 10 FFCDRO O=S1(=O)CCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000729684503 734590426 /nfs/dbraw/zinc/59/04/26/734590426.db2.gz XCXNDWVATQIYKX-UHFFFAOYSA-N 1 0 360.479 2.574 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](C(C)C)CC2)cc1F ZINC000731404474 734677292 /nfs/dbraw/zinc/67/72/92/734677292.db2.gz MRTZNBYGDKEYEE-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO COCCS(=O)(=O)CCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731845692 734700419 /nfs/dbraw/zinc/70/04/19/734700419.db2.gz HOQOJURNTWXRPN-UHFFFAOYSA-N 1 0 355.500 2.588 20 10 FFCDRO CSC1(CNC(=O)NCc2cccc(Cl)c2O)CC[NH+](C)CC1 ZINC000894951757 734942539 /nfs/dbraw/zinc/94/25/39/734942539.db2.gz VBFFHNCKBVWURT-UHFFFAOYSA-N 1 0 357.907 2.672 20 10 FFCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740006452 735064794 /nfs/dbraw/zinc/06/47/94/735064794.db2.gz NLXZLNWLDWICLW-GUYCJALGSA-N 1 0 353.488 2.787 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000896907070 735187606 /nfs/dbraw/zinc/18/76/06/735187606.db2.gz IYIYEFPCFYIHAV-CYBMUJFWSA-N 1 0 352.431 2.508 20 10 FFCDRO O=C1OCCCN1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000897589542 735252564 /nfs/dbraw/zinc/25/25/64/735252564.db2.gz NMXCLWAHMXLQII-UHFFFAOYSA-N 1 0 369.259 2.961 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC2(C)CCC3(CC2)OCCO3)cc1OC ZINC000897718734 735269402 /nfs/dbraw/zinc/26/94/02/735269402.db2.gz FSVYDXMQVZBCBF-UHFFFAOYSA-N 1 0 351.443 2.822 20 10 FFCDRO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccccc1O ZINC000903324737 736076263 /nfs/dbraw/zinc/07/62/63/736076263.db2.gz JGVSNHMEPAXFCJ-ZANVPECISA-N 1 0 362.227 2.764 20 10 FFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756854424 736367385 /nfs/dbraw/zinc/36/73/85/736367385.db2.gz FCOYBZOTRBNWBC-QEJZJMRPSA-N 1 0 352.450 2.847 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Br)ccc1O ZINC000757653549 736416300 /nfs/dbraw/zinc/41/63/00/736416300.db2.gz JLKQAGUGIMOMTG-CMPLNLGQSA-N 1 0 362.289 2.773 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000760016081 736610295 /nfs/dbraw/zinc/61/02/95/736610295.db2.gz KOUVJWNYRXBWJY-HNNXBMFYSA-N 1 0 363.479 2.972 20 10 FFCDRO CCc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761983373 736779260 /nfs/dbraw/zinc/77/92/60/736779260.db2.gz QWJHQAGYJPFADK-CQSZACIVSA-N 1 0 362.861 2.726 20 10 FFCDRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1O ZINC000763560019 736948121 /nfs/dbraw/zinc/94/81/21/736948121.db2.gz YZUOXKGTNXCJPH-NHYWBVRUSA-N 1 0 358.276 2.983 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)NCc1cccc(Br)c1O ZINC000764789520 737049910 /nfs/dbraw/zinc/04/99/10/737049910.db2.gz GSWVMIRIDFXOBF-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766214376 737208949 /nfs/dbraw/zinc/20/89/49/737208949.db2.gz NVFRCYUTEPFLMB-QAPCUYQASA-N 1 0 350.528 2.836 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@H](S(C)(=O)=O)C3)c2c1 ZINC000766668902 737250321 /nfs/dbraw/zinc/25/03/21/737250321.db2.gz NHSXPIWCEOMXKV-INIZCTEOSA-N 1 0 363.479 2.953 20 10 FFCDRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000768342143 737414867 /nfs/dbraw/zinc/41/48/67/737414867.db2.gz PZSGCRUXRFSHNE-IBGZPJMESA-N 1 0 365.543 2.581 20 10 FFCDRO CCOC(=O)CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768463990 737424385 /nfs/dbraw/zinc/42/43/85/737424385.db2.gz YNKYMFRADFDZLO-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CC(C(F)F)C3)CC2)cc1 ZINC000768666440 737447825 /nfs/dbraw/zinc/44/78/25/737447825.db2.gz GEGKLNHJUJVFKB-UHFFFAOYSA-N 1 0 353.457 2.841 20 10 FFCDRO CCC1(CC)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000769558208 737541873 /nfs/dbraw/zinc/54/18/73/737541873.db2.gz UAZASGZXEURAGL-VWLOTQADSA-N 1 0 363.571 2.562 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCO1 ZINC000772486724 737817546 /nfs/dbraw/zinc/81/75/46/737817546.db2.gz GDQLCQSETYRYIW-NVXWUHKLSA-N 1 0 352.862 2.695 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cc(Cl)ccc1O ZINC000775504460 738097564 /nfs/dbraw/zinc/09/75/64/738097564.db2.gz XYDIXQBAOVKJBT-INIZCTEOSA-N 1 0 374.934 2.595 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775552914 738101107 /nfs/dbraw/zinc/10/11/07/738101107.db2.gz YYYIWEYFRPBFDK-CABCVRRESA-N 1 0 358.276 2.983 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CCCNc2ncccn2)c1O ZINC000775759146 738122343 /nfs/dbraw/zinc/12/23/43/738122343.db2.gz RAVPUGVQQONFLS-UHFFFAOYSA-N 1 0 351.248 2.845 20 10 FFCDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000775820096 738128829 /nfs/dbraw/zinc/12/88/29/738128829.db2.gz SWFPDJFTEPGIDI-DGCLKSJQSA-N 1 0 352.406 2.690 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1([NH+](C)C)CC1 ZINC000923006844 738230265 /nfs/dbraw/zinc/23/02/65/738230265.db2.gz FZXQCWLIYFSCPA-UHFFFAOYSA-N 1 0 370.291 2.780 20 10 FFCDRO C[N@H+](CCOC1CCSCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000929184276 738953223 /nfs/dbraw/zinc/95/32/23/738953223.db2.gz DBYGGQSXAQWJOB-UHFFFAOYSA-N 1 0 350.528 2.867 20 10 FFCDRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000788675218 739271169 /nfs/dbraw/zinc/27/11/69/739271169.db2.gz MVXMVEDFAQWMIA-OAHLLOKOSA-N 1 0 361.511 2.854 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)Cc2cnn(C)c2C)c1O ZINC000790937028 739516543 /nfs/dbraw/zinc/51/65/43/739516543.db2.gz CARHTFQMPUTJLS-UHFFFAOYSA-N 1 0 354.248 2.837 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C(F)F)cc2F)CC1 ZINC000791571991 739580406 /nfs/dbraw/zinc/58/04/06/739580406.db2.gz DYCFPMFRJIFPBK-UHFFFAOYSA-N 1 0 357.420 2.875 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)N(C)C)Cc1ccccc1O ZINC000795969853 740086189 /nfs/dbraw/zinc/08/61/89/740086189.db2.gz RCKBDQNGXHPBTG-MRXNPFEDSA-N 1 0 362.495 2.847 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cccc(OC)c2O)s1 ZINC000796530422 740150358 /nfs/dbraw/zinc/15/03/58/740150358.db2.gz KFYIKPXYXSTPTB-MNOVXSKESA-N 1 0 364.471 2.568 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)C1(S(C)(=O)=O)CC1 ZINC000797071388 740209228 /nfs/dbraw/zinc/20/92/28/740209228.db2.gz SGKDVZWHFJCWMQ-VHSXEESVSA-N 1 0 362.289 2.771 20 10 FFCDRO CC1CC[NH+](CCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804950310 740919458 /nfs/dbraw/zinc/91/94/58/740919458.db2.gz WHVMWVIYUUYVKV-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(N2CCOCC2)cc1Cl ZINC000806664229 741079054 /nfs/dbraw/zinc/07/90/54/741079054.db2.gz JPAHLUDKLAXQPC-AWEZNQCLSA-N 1 0 356.894 2.615 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1O ZINC000808695880 741253056 /nfs/dbraw/zinc/25/30/56/741253056.db2.gz QYXJPBSQQLADNW-CYBMUJFWSA-N 1 0 374.934 2.514 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c1O ZINC000809711210 741335515 /nfs/dbraw/zinc/33/55/15/741335515.db2.gz OFNGKSHUSZMHPR-CYBMUJFWSA-N 1 0 352.784 2.707 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000809721345 741337057 /nfs/dbraw/zinc/33/70/57/741337057.db2.gz QGKURDLUZXDJOI-MNOVXSKESA-N 1 0 364.471 2.568 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000809789155 741344118 /nfs/dbraw/zinc/34/41/18/741344118.db2.gz ZOVBFCZDXYCTLP-DAXOMENPSA-N 1 0 352.862 2.791 20 10 FFCDRO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810239025 741400123 /nfs/dbraw/zinc/40/01/23/741400123.db2.gz QCQLLAIJWHTNOX-ZDUSSCGKSA-N 1 0 351.390 2.886 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811786711 741558594 /nfs/dbraw/zinc/55/85/94/741558594.db2.gz VWVRNIUTULWVFR-GFCCVEGCSA-N 1 0 360.376 2.600 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(O)cc1C ZINC000811786604 741558629 /nfs/dbraw/zinc/55/86/29/741558629.db2.gz SQKMSQDZINQCTO-GFCCVEGCSA-N 1 0 360.376 2.600 20 10 FFCDRO C[C@@](O)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000813488707 741724569 /nfs/dbraw/zinc/72/45/69/741724569.db2.gz CSGXADZZBPKPRN-LPHOPBHVSA-N 1 0 366.889 2.677 20 10 FFCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000813860476 741769155 /nfs/dbraw/zinc/76/91/55/741769155.db2.gz JFPCKGVVOFUPGU-WBVHZDCISA-N 1 0 365.905 2.657 20 10 FFCDRO C[N@H+](Cc1ccccc1S(N)(=O)=O)Cc1c(O)ccc2ccccc21 ZINC000814233042 741804822 /nfs/dbraw/zinc/80/48/22/741804822.db2.gz YIERNOWABIMIIY-UHFFFAOYSA-N 1 0 356.447 2.825 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000822654729 742764650 /nfs/dbraw/zinc/76/46/50/742764650.db2.gz PQIPHAWLGFMKEN-INIZCTEOSA-N 1 0 352.475 2.832 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824606269 743115442 /nfs/dbraw/zinc/11/54/42/743115442.db2.gz QKUSJXAWPIINLZ-KBPBESRZSA-N 1 0 354.878 2.717 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000824702943 743131273 /nfs/dbraw/zinc/13/12/73/743131273.db2.gz USYZBAJSYBUGQC-INIZCTEOSA-N 1 0 369.303 2.841 20 10 FFCDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000824817596 743154670 /nfs/dbraw/zinc/15/46/70/743154670.db2.gz CBFSNJCTDGGOTA-ZDUSSCGKSA-N 1 0 354.244 2.930 20 10 FFCDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825326225 743248339 /nfs/dbraw/zinc/24/83/39/743248339.db2.gz KLAFKFNEBHSADU-ZFWWWQNUSA-N 1 0 366.259 2.898 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1Cl ZINC000825375879 743258186 /nfs/dbraw/zinc/25/81/86/743258186.db2.gz SGDNODMLRKICOO-UHFFFAOYSA-N 1 0 374.915 2.826 20 10 FFCDRO O=C(C1CC1)N1CCCN(Cc2ccc(Br)cc2O)CC1 ZINC000825621286 743302259 /nfs/dbraw/zinc/30/22/59/743302259.db2.gz KWGZKGPMYLOWCU-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccc(Cl)c(C(=O)OC)n2)c(O)c1 ZINC000826981494 743482789 /nfs/dbraw/zinc/48/27/89/743482789.db2.gz YQLPFEVFHKNLKD-UHFFFAOYSA-N 1 0 350.802 2.916 20 10 FFCDRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1=CC(=O)CS1 ZINC000827413715 743571627 /nfs/dbraw/zinc/57/16/27/743571627.db2.gz KQMXYOTUQFLFTA-UHFFFAOYSA-N 1 0 359.451 2.532 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1O ZINC000827538584 743597436 /nfs/dbraw/zinc/59/74/36/743597436.db2.gz RDUPIZRUTIIOSB-IAGOWNOFSA-N 1 0 366.889 2.787 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000831716265 745573913 /nfs/dbraw/zinc/57/39/13/745573913.db2.gz SJABKBDYWLNTFR-UHFFFAOYSA-N 1 0 356.495 2.532 20 10 FFCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000835071562 745944528 /nfs/dbraw/zinc/94/45/28/745944528.db2.gz QFAVLCLPRBIUKS-NSHDSACASA-N 1 0 364.243 2.975 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1OC ZINC000835071000 745944616 /nfs/dbraw/zinc/94/46/16/745944616.db2.gz UCSGKPONJWFJBS-LJQANCHMSA-N 1 0 351.443 2.963 20 10 FFCDRO OCCOCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838896247 746732144 /nfs/dbraw/zinc/73/21/44/746732144.db2.gz VPYDVFPKBIODDU-UHFFFAOYSA-N 1 0 357.292 2.538 20 10 FFCDRO Fc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1N1CCOCC1 ZINC000839146279 746787988 /nfs/dbraw/zinc/78/79/88/746787988.db2.gz BFAXQTOIVUOZCF-CVEARBPZSA-N 1 0 351.441 2.518 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000840118351 747008862 /nfs/dbraw/zinc/00/88/62/747008862.db2.gz LYXVGVOXTAIRNO-GOSISDBHSA-N 1 0 351.349 2.534 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000840888414 747213600 /nfs/dbraw/zinc/21/36/00/747213600.db2.gz JANHBRNCMLSLBB-NSHDSACASA-N 1 0 364.305 2.939 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840890033 747214455 /nfs/dbraw/zinc/21/44/55/747214455.db2.gz KYNJEKCPBWTNMQ-CQSZACIVSA-N 1 0 374.934 2.652 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(Cl)c1 ZINC000840947181 747238570 /nfs/dbraw/zinc/23/85/70/747238570.db2.gz OLTQOKBQWSXLPY-GOOCMWNKSA-N 1 0 365.905 2.527 20 10 FFCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CN1 ZINC000840955527 747242054 /nfs/dbraw/zinc/24/20/54/747242054.db2.gz SGXPTPGHAPVZMU-CQSZACIVSA-N 1 0 366.303 2.665 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000840955691 747242139 /nfs/dbraw/zinc/24/21/39/747242139.db2.gz YGDRHRVWISUULP-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@H](C)[NH3+] ZINC000841076299 747264216 /nfs/dbraw/zinc/26/42/16/747264216.db2.gz CWLFPVCGRIIWMP-NKWVEPMBSA-N 1 0 352.070 2.743 20 10 FFCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCCCC1 ZINC000841706828 747436864 /nfs/dbraw/zinc/43/68/64/747436864.db2.gz LMBKRKIEUQQBJE-UHFFFAOYSA-N 1 0 362.543 2.701 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841746619 747447595 /nfs/dbraw/zinc/44/75/95/747447595.db2.gz JDZKBLJJRFJASY-CYBMUJFWSA-N 1 0 368.886 2.983 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841856423 747477142 /nfs/dbraw/zinc/47/71/42/747477142.db2.gz JHISLFKWQVIALU-ZIAGYGMSSA-N 1 0 354.545 2.656 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841856366 747477401 /nfs/dbraw/zinc/47/74/01/747477401.db2.gz JCXQEUMXSONGGF-UHFFFAOYSA-N 1 0 354.545 2.801 20 10 FFCDRO CC[NH2+]CCCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000841917492 747486197 /nfs/dbraw/zinc/48/61/97/747486197.db2.gz IJXZMUWCVPCLTC-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO Cc1cccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000842784399 747686521 /nfs/dbraw/zinc/68/65/21/747686521.db2.gz JFMLPSVQXUXRHM-HNNXBMFYSA-N 1 0 367.902 2.693 20 10 FFCDRO Cc1ccc(/C=C/S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842785554 747687331 /nfs/dbraw/zinc/68/73/31/747687331.db2.gz UTAACTCAXLSDQT-HYSAVQALSA-N 1 0 359.495 2.651 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCC2CCCCC2)cc1 ZINC000842784451 747687399 /nfs/dbraw/zinc/68/73/99/747687399.db2.gz FKBCNZHMCLQWTR-SFHVURJKSA-N 1 0 353.532 2.642 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[NH2+]C34CCCC4)cs2)cc1 ZINC000843514803 747847265 /nfs/dbraw/zinc/84/72/65/747847265.db2.gz VXWAMPAPCYYYFE-MRXNPFEDSA-N 1 0 356.495 2.721 20 10 FFCDRO Cc1cc(C[N@H+](Cc2ccccc2O)C2CC2)cc(S(N)(=O)=O)c1C ZINC000846048169 748391932 /nfs/dbraw/zinc/39/19/32/748391932.db2.gz XIBQLLZEDJIEMV-UHFFFAOYSA-N 1 0 360.479 2.821 20 10 FFCDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1=O ZINC000846209415 748431263 /nfs/dbraw/zinc/43/12/63/748431263.db2.gz RCYYJQCWAPGVOJ-NEPJUHHUSA-N 1 0 355.276 2.982 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nn2)c1 ZINC000846845170 748557031 /nfs/dbraw/zinc/55/70/31/748557031.db2.gz UICQQULFPSNARZ-SNVBAGLBSA-N 1 0 357.332 2.983 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1O ZINC000846929377 748577889 /nfs/dbraw/zinc/57/78/89/748577889.db2.gz LEFVVBYWNODXBP-KRWDZBQOSA-N 1 0 364.873 2.985 20 10 FFCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848551721 748957801 /nfs/dbraw/zinc/95/78/01/748957801.db2.gz CGSXVASZGLZQQM-GAJTVXKRSA-N 1 0 360.248 2.618 20 10 FFCDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848553203 748958610 /nfs/dbraw/zinc/95/86/10/748958610.db2.gz IPMFDIQTUGHBKY-BONVTDFDSA-N 1 0 362.264 2.601 20 10 FFCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000848916484 749034176 /nfs/dbraw/zinc/03/41/76/749034176.db2.gz VCGDLGIDSCQKED-HIFRSBDPSA-N 1 0 356.388 2.797 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCSCC3)cc2F)C[C@H](C)O1 ZINC000849069843 749044161 /nfs/dbraw/zinc/04/41/61/749044161.db2.gz SBZVJQNNLVPOKH-OKILXGFUSA-N 1 0 366.506 2.512 20 10 FFCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850070857 749295244 /nfs/dbraw/zinc/29/52/44/749295244.db2.gz WGEXDQOLUSKNQS-UHFFFAOYSA-N 1 0 354.376 2.565 20 10 FFCDRO COc1cc(C[NH2+]C(C)(C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850326111 749342891 /nfs/dbraw/zinc/34/28/91/749342891.db2.gz HMWXQHXLCQQANQ-UHFFFAOYSA-N 1 0 350.503 2.899 20 10 FFCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000851660295 749642901 /nfs/dbraw/zinc/64/29/01/749642901.db2.gz JTVKSTIFVZBVTQ-UONOGXRCSA-N 1 0 352.910 2.983 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CC[N@H+](C)C2)cc1F ZINC000853705775 750140304 /nfs/dbraw/zinc/14/03/04/750140304.db2.gz DDFDSAIRNQDRKI-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000067449936 845506431 /nfs/dbraw/zinc/50/64/31/845506431.db2.gz GJABSNVYQUQJBT-UHFFFAOYSA-N 1 0 351.855 2.838 20 10 FFCDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccccc1Br ZINC000159401741 845685969 /nfs/dbraw/zinc/68/59/69/845685969.db2.gz VIXCKGOPSVMTAE-UHFFFAOYSA-N 1 0 362.271 2.902 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@H]2C)cc1C ZINC001104836719 970967957 /nfs/dbraw/zinc/96/79/57/970967957.db2.gz ZSAGQXVJCJEEIM-SJLPKXTDSA-N 1 0 370.497 2.544 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001271241727 972403733 /nfs/dbraw/zinc/40/37/33/972403733.db2.gz IWVPYKVBSZGVAB-UHFFFAOYSA-N 1 0 358.360 2.588 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)cc1C ZINC001020616762 959931181 /nfs/dbraw/zinc/93/11/81/959931181.db2.gz BFUWPGIMXMWVKM-LWYYNNOASA-N 1 0 365.477 2.939 20 10 FFCDRO C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000825639150 1013303766 /nfs/dbraw/zinc/30/37/66/1013303766.db2.gz LKWUDRVILBOYLZ-AWEZNQCLSA-N 1 0 353.470 2.947 20 10 FFCDRO Cc1ccn([C@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891247734 962578903 /nfs/dbraw/zinc/57/89/03/962578903.db2.gz UTFJUJNNFYLRIJ-VQIMIIECSA-N 1 0 357.502 2.628 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2[nH]ncc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891248152 962579884 /nfs/dbraw/zinc/57/98/84/962579884.db2.gz WDGDAKFZQKNPBR-CQSZACIVSA-N 1 0 369.391 2.527 20 10 FFCDRO CC(C)c1nn(C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891252058 962597586 /nfs/dbraw/zinc/59/75/86/962597586.db2.gz FKYBRVBGILRUFO-GOSISDBHSA-N 1 0 357.502 2.642 20 10 FFCDRO CC(C)c1noc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891252094 962598783 /nfs/dbraw/zinc/59/87/83/962598783.db2.gz GEKKQJQTFUZJAX-KRWDZBQOSA-N 1 0 373.501 2.611 20 10 FFCDRO CC(=O)Nc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891257619 962626035 /nfs/dbraw/zinc/62/60/35/962626035.db2.gz JFYXMXSJRYBOBO-HXUWFJFHSA-N 1 0 368.481 2.744 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c(C)n1-c1ccccc1 ZINC001276046168 1013360315 /nfs/dbraw/zinc/36/03/15/1013360315.db2.gz VNNFXBVQJSTYQA-NRFANRHFSA-N 1 0 353.466 2.527 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(C4(C)OCCO4)ccn3)cc2)CC1 ZINC001167426880 963029553 /nfs/dbraw/zinc/02/95/53/963029553.db2.gz MTLORDPRRWCCHR-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO C[C@@H](NC(=O)N(C)C1(C[NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000891440065 964053314 /nfs/dbraw/zinc/05/33/14/964053314.db2.gz DLGCMJAJBOARGE-QGZVFWFLSA-N 1 0 374.529 2.887 20 10 FFCDRO CCc1cc(N2CCC([NH2+]Cc3cc(C)cc(OC)c3O)CC2)ncn1 ZINC000894323905 964734464 /nfs/dbraw/zinc/73/44/64/964734464.db2.gz RWHIJQWPZGXBAP-UHFFFAOYSA-N 1 0 356.470 2.820 20 10 FFCDRO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000088506533 965102480 /nfs/dbraw/zinc/10/24/80/965102480.db2.gz NXUVPQYPEAMKEB-KRWDZBQOSA-N 1 0 367.493 2.674 20 10 FFCDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894586602 965501375 /nfs/dbraw/zinc/50/13/75/965501375.db2.gz WLBPGQIAVBKLAB-OAQYLSRUSA-N 1 0 371.433 2.726 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCO[C@@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894795895 965697021 /nfs/dbraw/zinc/69/70/21/965697021.db2.gz YDEDPEJNVCELIG-QGZVFWFLSA-N 1 0 364.417 2.737 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1c1ccccc1 ZINC000894809898 965710519 /nfs/dbraw/zinc/71/05/19/965710519.db2.gz CMMODGZUKYOABF-IAGOWNOFSA-N 1 0 371.433 2.798 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c(O)c1O ZINC001176038539 1013616305 /nfs/dbraw/zinc/61/63/05/1013616305.db2.gz RBLHRCDDLXHRMR-QGZVFWFLSA-N 1 0 367.449 2.943 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccccc1C ZINC000262067092 966290572 /nfs/dbraw/zinc/29/05/72/966290572.db2.gz OQLZCEKZMHVBEY-LJQANCHMSA-N 1 0 366.509 2.522 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000051688419 966524755 /nfs/dbraw/zinc/52/47/55/966524755.db2.gz MDMDSZYNPHOFRO-HUUCEWRRSA-N 1 0 363.477 2.540 20 10 FFCDRO CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176679180 966579415 /nfs/dbraw/zinc/57/94/15/966579415.db2.gz QDDQCYVHWRCLKN-HNNXBMFYSA-N 1 0 355.438 2.801 20 10 FFCDRO COCCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000895005559 967150767 /nfs/dbraw/zinc/15/07/67/967150767.db2.gz GDGJUAHKNCKFDR-MRXNPFEDSA-N 1 0 360.454 2.930 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000588612951 968154606 /nfs/dbraw/zinc/15/46/06/968154606.db2.gz NLYXEQWBHXFZON-CNRGFGOASA-N 1 0 352.434 2.749 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001024169249 968791368 /nfs/dbraw/zinc/79/13/68/968791368.db2.gz LHMGOUUXAVLYTN-IMFGXOCKSA-N 1 0 360.498 2.899 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000066080426 969259658 /nfs/dbraw/zinc/25/96/58/969259658.db2.gz BNXKTPKWYWQKKT-CQSZACIVSA-N 1 0 370.449 2.810 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)c(O)c1OC ZINC000893132559 970657759 /nfs/dbraw/zinc/65/77/59/970657759.db2.gz QVYBFESHMVYLLL-UHFFFAOYSA-N 1 0 372.465 2.844 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)c1 ZINC000895504399 970675288 /nfs/dbraw/zinc/67/52/88/970675288.db2.gz UDWCLQLHQGSNFR-OAHLLOKOSA-N 1 0 360.385 2.831 20 10 FFCDRO C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237293597 974082408 /nfs/dbraw/zinc/08/24/08/974082408.db2.gz OYEZSJHZXINGOK-HKUYNNGSSA-N 1 0 359.514 2.507 20 10 FFCDRO Nc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)cc1 ZINC000876504286 1014285954 /nfs/dbraw/zinc/28/59/54/1014285954.db2.gz LQJGFEVUFNEZQW-FPOVZHCZSA-N 1 0 351.450 2.746 20 10 FFCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876591576 1014313854 /nfs/dbraw/zinc/31/38/54/1014313854.db2.gz LMDCGHUMNGBKHU-UHFFFAOYSA-N 1 0 360.498 2.813 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450117 976462071 /nfs/dbraw/zinc/46/20/71/976462071.db2.gz NTEOWMYVDRMXNS-LJQANCHMSA-N 1 0 362.518 2.566 20 10 FFCDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000759969241 976477243 /nfs/dbraw/zinc/47/72/43/976477243.db2.gz ILZBAYGYLDSLGU-AEFFLSMTSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(O)c1OC ZINC000893653120 976889892 /nfs/dbraw/zinc/88/98/92/976889892.db2.gz PGIGMHPNSJVAKT-UHFFFAOYSA-N 1 0 358.438 2.724 20 10 FFCDRO Cc1ccncc1CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102146 976910595 /nfs/dbraw/zinc/91/05/95/976910595.db2.gz KIODBRQVSFYABW-FQEVSTJZSA-N 1 0 369.513 2.900 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1cccc(F)c1 ZINC000796582451 1014400430 /nfs/dbraw/zinc/40/04/30/1014400430.db2.gz YGTZQVRZYDSBCD-FQEVSTJZSA-N 1 0 357.429 2.613 20 10 FFCDRO CC(=O)O[C@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001211729126 977516297 /nfs/dbraw/zinc/51/62/97/977516297.db2.gz RQBUQASNUCUXDZ-MSOLQXFVSA-N 1 0 366.421 2.763 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3COc4ccccc4C3)cc2)CC1 ZINC000876876986 1014406808 /nfs/dbraw/zinc/40/68/08/1014406808.db2.gz WXSVDUQTGFTJNV-SFHVURJKSA-N 1 0 352.478 2.989 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000876893334 1014410860 /nfs/dbraw/zinc/41/08/60/1014410860.db2.gz OGDUKJXVNPPZLP-UHFFFAOYSA-N 1 0 368.477 2.751 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(O)c1OC ZINC000894032823 977641624 /nfs/dbraw/zinc/64/16/24/977641624.db2.gz BXYHIJQQOOGXBO-OXQOHEQNSA-N 1 0 361.413 2.804 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]CCCc3cnn(C)c3)cc2F)C[C@H](C)O1 ZINC000876945545 1014428853 /nfs/dbraw/zinc/42/88/53/1014428853.db2.gz DYFWOSCBSGDJLB-HOTGVXAUSA-N 1 0 360.477 2.895 20 10 FFCDRO COc1cc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccc1O ZINC000877046494 1014460953 /nfs/dbraw/zinc/46/09/53/1014460953.db2.gz NXFSRRMOBOLWSH-UHFFFAOYSA-N 1 0 356.466 2.694 20 10 FFCDRO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)c1ccc(N)cc1 ZINC000877076898 1014469267 /nfs/dbraw/zinc/46/92/67/1014469267.db2.gz SQYFWFBXBVKMQM-IRLDBZIGSA-N 1 0 365.477 2.770 20 10 FFCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000877144952 1014488480 /nfs/dbraw/zinc/48/84/80/1014488480.db2.gz AIMLMMMZSVVVAT-SFHVURJKSA-N 1 0 367.493 2.995 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000841007587 979063801 /nfs/dbraw/zinc/06/38/01/979063801.db2.gz ZGLGZYZVNCJCDB-OAHLLOKOSA-N 1 0 366.465 2.561 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@](C)(OC)C3CC3)CC2)cc(OC)c1OC ZINC000877346297 1014556910 /nfs/dbraw/zinc/55/69/10/1014556910.db2.gz QYNQZVWCXSRSSN-FQEVSTJZSA-N 1 0 364.486 2.650 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c(O)c1 ZINC000877494444 1014600870 /nfs/dbraw/zinc/60/08/70/1014600870.db2.gz WRKSAECINFUVJP-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO C[NH+](C)CCOc1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000904505014 980288454 /nfs/dbraw/zinc/28/84/54/980288454.db2.gz VYZOHVRNYLQECO-UHFFFAOYSA-N 1 0 366.465 2.968 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000054424302 980525757 /nfs/dbraw/zinc/52/57/57/980525757.db2.gz BZPLNECSFSBUJF-UHFFFAOYSA-N 1 0 357.429 2.985 20 10 FFCDRO O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001272047878 980699538 /nfs/dbraw/zinc/69/95/38/980699538.db2.gz DTGCOBORWLGCMX-OKILXGFUSA-N 1 0 360.454 2.530 20 10 FFCDRO CCOc1ccc(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c(O)c1 ZINC000877688265 1014682234 /nfs/dbraw/zinc/68/22/34/1014682234.db2.gz SAARIYLDBKCNBH-HKUYNNGSSA-N 1 0 369.465 2.795 20 10 FFCDRO Cc1nc2nc(C)cc(NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)n2n1 ZINC000897523199 981428363 /nfs/dbraw/zinc/42/83/63/981428363.db2.gz RJLMOLZSKLGQPX-KRWDZBQOSA-N 1 0 353.474 2.522 20 10 FFCDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000155849300 982059722 /nfs/dbraw/zinc/05/97/22/982059722.db2.gz CBZRLCVKZLRMAA-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842007310 982569085 /nfs/dbraw/zinc/56/90/85/982569085.db2.gz XYUKTTPJOBMRDK-ROUUACIJSA-N 1 0 361.486 2.615 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000898282728 982664629 /nfs/dbraw/zinc/66/46/29/982664629.db2.gz KDOATQNGFCQNON-VURMDHGXSA-N 1 0 373.522 2.951 20 10 FFCDRO COC(=O)Nc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000911666213 983862974 /nfs/dbraw/zinc/86/29/74/983862974.db2.gz HTHUOOGWTYBHDU-GOSISDBHSA-N 1 0 370.453 2.669 20 10 FFCDRO COc1cccc(C(F)(F)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000911666054 983863077 /nfs/dbraw/zinc/86/30/77/983863077.db2.gz GZKCGTCJWPPVKC-KRWDZBQOSA-N 1 0 363.408 2.669 20 10 FFCDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCCc2ccc(N)cc2)cc1 ZINC000911783853 983898430 /nfs/dbraw/zinc/89/84/30/983898430.db2.gz ZOMRRCAVBAQRCL-KPKJPENVSA-N 1 0 353.466 2.581 20 10 FFCDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(O)c1O ZINC000185891306 984056434 /nfs/dbraw/zinc/05/64/34/984056434.db2.gz SCWVPCFNCMEEFC-INIZCTEOSA-N 1 0 370.449 2.930 20 10 FFCDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000151022656 984160182 /nfs/dbraw/zinc/16/01/82/984160182.db2.gz NMJUTEHZQRAPML-OAHLLOKOSA-N 1 0 371.456 2.873 20 10 FFCDRO COc1cccc(CC(=O)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)c1 ZINC000164213778 984336245 /nfs/dbraw/zinc/33/62/45/984336245.db2.gz ZTTCBWFGYAVOHN-UHFFFAOYSA-N 1 0 368.477 2.905 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3cccnn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164259733 984338006 /nfs/dbraw/zinc/33/80/06/984338006.db2.gz RRTOLCLYQCSMKX-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCNc2cnccn2)ccc1N1CCCCC1 ZINC000760702176 984409885 /nfs/dbraw/zinc/40/98/85/984409885.db2.gz UKMNLXDIIJLXRP-UHFFFAOYSA-N 1 0 356.430 2.577 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCN(c4cnn(C)c4)C3)CC2)cc1 ZINC000166550715 984525920 /nfs/dbraw/zinc/52/59/20/984525920.db2.gz JPGHFMAAPYICLQ-GOSISDBHSA-N 1 0 369.513 2.656 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 ZINC000690590969 984713921 /nfs/dbraw/zinc/71/39/21/984713921.db2.gz MJZJEIKIVLWVNN-INIZCTEOSA-N 1 0 362.470 2.959 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)ccc21 ZINC000764842438 984740579 /nfs/dbraw/zinc/74/05/79/984740579.db2.gz ULVCKPPNTMJTND-LJQANCHMSA-N 1 0 356.514 2.885 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)cc1 ZINC000170927007 985177418 /nfs/dbraw/zinc/17/74/18/985177418.db2.gz PEYBVGGTRSOYBL-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)cc2F)CC1 ZINC000170945118 985182931 /nfs/dbraw/zinc/18/29/31/985182931.db2.gz RKRCMSXKTWXGEI-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000171264904 985254644 /nfs/dbraw/zinc/25/46/44/985254644.db2.gz UHRLENHTNVRHCG-KURKYZTESA-N 1 0 359.514 2.995 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CC=CCC3)CC2)cc1 ZINC000172438868 985551539 /nfs/dbraw/zinc/55/15/39/985551539.db2.gz SXKIBJYIHPWDGA-SFHVURJKSA-N 1 0 372.513 2.615 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000186198172 985678577 /nfs/dbraw/zinc/67/85/77/985678577.db2.gz SZSZIXMWULALAH-UONOGXRCSA-N 1 0 353.422 2.850 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1 ZINC000186198157 985678929 /nfs/dbraw/zinc/67/89/29/985678929.db2.gz SZSZIXMWULALAH-KGLIPLIRSA-N 1 0 353.422 2.850 20 10 FFCDRO CCc1nc(CN2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)no1 ZINC000921704690 986802730 /nfs/dbraw/zinc/80/27/30/986802730.db2.gz FRUUUISFIGIHFN-QGZVFWFLSA-N 1 0 356.470 2.711 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC(CC[NH+](C)C)CC3)ccc21 ZINC000057661192 986836904 /nfs/dbraw/zinc/83/69/04/986836904.db2.gz RQODEQZOTFCCDG-UHFFFAOYSA-N 1 0 358.530 2.942 20 10 FFCDRO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000153371534 987925483 /nfs/dbraw/zinc/92/54/83/987925483.db2.gz GRLXQBFVAJQLOC-GOSISDBHSA-N 1 0 361.530 2.989 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)CC1 ZINC000765979971 988308060 /nfs/dbraw/zinc/30/80/60/988308060.db2.gz XAWIVIKMNBLFTQ-HXUWFJFHSA-N 1 0 374.481 2.838 20 10 FFCDRO CN1C[C@@H](CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000922486104 988632183 /nfs/dbraw/zinc/63/21/83/988632183.db2.gz OFACQHDEXUTMED-INIZCTEOSA-N 1 0 360.458 2.543 20 10 FFCDRO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000922871376 988971246 /nfs/dbraw/zinc/97/12/46/988971246.db2.gz FJHFCQJZJOENNT-IRXDYDNUSA-N 1 0 356.470 2.895 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C[NH+]1CCCCC1 ZINC000153883499 989755551 /nfs/dbraw/zinc/75/55/51/989755551.db2.gz UFAUQPZXZQIRBI-SFHVURJKSA-N 1 0 356.514 2.984 20 10 FFCDRO CCN(Cc1ccc(I)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236007639 989975820 /nfs/dbraw/zinc/97/58/20/989975820.db2.gz ABOCUTUYXKDVIV-ZDUSSCGKSA-N 1 0 360.239 2.571 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](CC3CC3)[C@H](C(N)=O)C3CC3)cc2)CC1 ZINC000879488253 1015556583 /nfs/dbraw/zinc/55/65/83/1015556583.db2.gz QBUWMQVJCXRTDL-NRFANRHFSA-N 1 0 371.525 2.778 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc4cccnc43)cc2)CC1 ZINC000918883423 990517932 /nfs/dbraw/zinc/51/79/32/990517932.db2.gz OUQPRNYDMJSFDT-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000918907182 990522336 /nfs/dbraw/zinc/52/23/36/990522336.db2.gz VWTVYAOMTWTWGC-IBGZPJMESA-N 1 0 371.525 2.794 20 10 FFCDRO Oc1cc(I)ccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236241626 990733382 /nfs/dbraw/zinc/73/33/82/990733382.db2.gz RLENANDOPMOXJQ-AWEZNQCLSA-N 1 0 372.250 2.713 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3c4ccccc4CC[C@H]3O)cc2)CC1 ZINC000922989428 990781991 /nfs/dbraw/zinc/78/19/91/990781991.db2.gz MPFLPKVQZDDDKI-YADHBBJMSA-N 1 0 352.478 2.786 20 10 FFCDRO C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920921672 990932815 /nfs/dbraw/zinc/93/28/15/990932815.db2.gz PBJJGIDGFYRIHG-KRWDZBQOSA-N 1 0 374.529 2.567 20 10 FFCDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068548964 991467435 /nfs/dbraw/zinc/46/74/35/991467435.db2.gz PADYRCLHNQWCRD-KRWDZBQOSA-N 1 0 374.529 2.756 20 10 FFCDRO Cc1cc(N2CC=C(CCNC(=O)[C@H]3OCC[C@H]3C)CC2)nc(C2CC2)n1 ZINC001089863920 992646474 /nfs/dbraw/zinc/64/64/74/992646474.db2.gz KCJHKKWNMAWORH-KUHUBIRLSA-N 1 0 370.497 2.730 20 10 FFCDRO C[C@@]1(O)CCC[N@H+](Cc2cccc(I)c2[O-])CC1 ZINC001237778688 992710125 /nfs/dbraw/zinc/71/01/25/992710125.db2.gz ZPJJESFDUWPOPH-CQSZACIVSA-N 1 0 361.223 2.734 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3COc4ccccc4[C@@H]3O)CC2)cc1 ZINC000808730199 994244930 /nfs/dbraw/zinc/24/49/30/994244930.db2.gz UNPAGMZGCWSNQM-FPOVZHCZSA-N 1 0 354.450 2.748 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CC3)COCCO4)cc2)CC1 ZINC000880547857 1015868846 /nfs/dbraw/zinc/86/88/46/1015868846.db2.gz WONMSHCXWDBJFI-UHFFFAOYSA-N 1 0 360.498 2.683 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(C3CC3)CC1)cc2=O ZINC000810064529 994695587 /nfs/dbraw/zinc/69/55/87/994695587.db2.gz IYBBJZTVFRTAQB-UHFFFAOYSA-N 1 0 358.442 2.624 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cc1OC ZINC000811511884 995172221 /nfs/dbraw/zinc/17/22/21/995172221.db2.gz WYMAPNDAVUBLBD-OAHLLOKOSA-N 1 0 364.442 2.653 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cncc(C)c3)C[C@H]2C)cc1C ZINC001082666408 995218538 /nfs/dbraw/zinc/21/85/38/995218538.db2.gz VYPIPYZOGYWTDC-YLJYHZDGSA-N 1 0 367.493 2.886 20 10 FFCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000811868294 995274418 /nfs/dbraw/zinc/27/44/18/995274418.db2.gz TVIGJBPYXYHVOL-SJORKVTESA-N 1 0 362.518 2.612 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747839806 995633682 /nfs/dbraw/zinc/63/36/82/995633682.db2.gz DZCVJCXHXLUORV-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2OCC(=O)N(C)C)c1 ZINC000813331438 995666982 /nfs/dbraw/zinc/66/69/82/995666982.db2.gz OZZNURWIIIUWJI-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824435556 996938429 /nfs/dbraw/zinc/93/84/29/996938429.db2.gz UUBBCCXWBMVXAT-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501440 996979947 /nfs/dbraw/zinc/97/99/47/996979947.db2.gz KNLQBHJTMFVTEJ-IRLDBZIGSA-N 1 0 368.477 2.876 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000730228711 996995304 /nfs/dbraw/zinc/99/53/04/996995304.db2.gz WIUZJVLXROLDAI-KRWDZBQOSA-N 1 0 368.525 2.768 20 10 FFCDRO Cc1cc(CC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccc1 ZINC000824732306 997075128 /nfs/dbraw/zinc/07/51/28/997075128.db2.gz BXYTUVHIMXCDGE-LEWJYISDSA-N 1 0 367.493 2.616 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(OC)c(O)c(OC)c3)C2)cc1 ZINC000826845179 1016100487 /nfs/dbraw/zinc/10/04/87/1016100487.db2.gz HBRPMRAFVDSUIW-HNNXBMFYSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2F)C[C@H](C)O1 ZINC000844172530 997693677 /nfs/dbraw/zinc/69/36/77/997693677.db2.gz IPRFVHSTVJRCFS-GJZGRUSLSA-N 1 0 363.477 2.717 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(=O)n3c(C)csc3n2)cc1 ZINC000844402074 997862186 /nfs/dbraw/zinc/86/21/86/997862186.db2.gz UFBFUHSQNLXOCF-UHFFFAOYSA-N 1 0 372.494 2.641 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144520604 998619154 /nfs/dbraw/zinc/61/91/54/998619154.db2.gz VYKUOHXWFPBUOB-LJQANCHMSA-N 1 0 366.458 2.930 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c(O)c1 ZINC001144509094 998622179 /nfs/dbraw/zinc/62/21/79/998622179.db2.gz KUBSOSLTFGZIFY-UHFFFAOYSA-N 1 0 368.393 2.628 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516372 998628273 /nfs/dbraw/zinc/62/82/73/998628273.db2.gz WQOFWMGLLVIMFQ-BXUZGUMPSA-N 1 0 352.431 2.681 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000733978537 999164208 /nfs/dbraw/zinc/16/42/08/999164208.db2.gz FLCDBWQPNOPROJ-UHFFFAOYSA-N 1 0 374.554 2.913 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000738148257 999621003 /nfs/dbraw/zinc/62/10/03/999621003.db2.gz JTNWKDGEELUCLZ-HNNXBMFYSA-N 1 0 371.433 2.917 20 10 FFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000740007497 999657133 /nfs/dbraw/zinc/65/71/33/999657133.db2.gz SVURUYWMNBCUSD-SFTDATJTSA-N 1 0 352.478 2.594 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C ZINC000742373518 999772614 /nfs/dbraw/zinc/77/26/14/999772614.db2.gz YFWCSLFNRUVZSC-GOSISDBHSA-N 1 0 354.450 2.773 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)CC2)cc1 ZINC000766605694 1000025059 /nfs/dbraw/zinc/02/50/59/1000025059.db2.gz MNBAQUAIAMHBQU-VXKWHMMOSA-N 1 0 373.541 2.897 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnnn3-c3ccccc3)C2)cc1 ZINC000845986353 1000190237 /nfs/dbraw/zinc/19/02/37/1000190237.db2.gz ULUMSPFAQOFCGZ-QGZVFWFLSA-N 1 0 363.465 2.892 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1O ZINC000846141070 1000217814 /nfs/dbraw/zinc/21/78/14/1000217814.db2.gz KMADOACTPZZDFD-AWEZNQCLSA-N 1 0 358.438 2.719 20 10 FFCDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444334 1000251124 /nfs/dbraw/zinc/25/11/24/1000251124.db2.gz AAHILEVRDHGRFE-LIRRHRJNSA-N 1 0 371.433 2.629 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000846313798 1000266152 /nfs/dbraw/zinc/26/61/52/1000266152.db2.gz OMNXFCCEWDGOTF-UHFFFAOYSA-N 1 0 354.454 2.899 20 10 FFCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768942246 1000380580 /nfs/dbraw/zinc/38/05/80/1000380580.db2.gz XUAJSMAQDCYUPF-KRWDZBQOSA-N 1 0 358.461 2.775 20 10 FFCDRO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000846979881 1000514409 /nfs/dbraw/zinc/51/44/09/1000514409.db2.gz RKSYFLGCVMMSIS-LJQANCHMSA-N 1 0 366.509 2.904 20 10 FFCDRO CNC(=O)CC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769467976 1000528233 /nfs/dbraw/zinc/52/82/33/1000528233.db2.gz BUCMWUMPTCHUON-UHFFFAOYSA-N 1 0 374.485 2.933 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2cnn(C)c2)C1 ZINC000769663632 1000572247 /nfs/dbraw/zinc/57/22/47/1000572247.db2.gz OBHHUSHPCXYJIH-UHFFFAOYSA-N 1 0 366.465 2.885 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000769817918 1000598474 /nfs/dbraw/zinc/59/84/74/1000598474.db2.gz ZKTZWVIJVSATOT-INIZCTEOSA-N 1 0 373.449 2.958 20 10 FFCDRO CO[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC000770008585 1000653114 /nfs/dbraw/zinc/65/31/14/1000653114.db2.gz AQDHTBOKNACDOM-HXUWFJFHSA-N 1 0 359.514 2.506 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)c1 ZINC000772983466 1000955279 /nfs/dbraw/zinc/95/52/79/1000955279.db2.gz ITVPOOVBBRYPGD-CYBMUJFWSA-N 1 0 374.437 2.925 20 10 FFCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000772443121 1001394707 /nfs/dbraw/zinc/39/47/07/1001394707.db2.gz IIZQASGIZVAKFG-SJLPKXTDSA-N 1 0 352.482 2.943 20 10 FFCDRO C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(N2CCOCC2)cc1 ZINC000785956220 1001508144 /nfs/dbraw/zinc/50/81/44/1001508144.db2.gz OWKDRXLYDGYHHC-HNNXBMFYSA-N 1 0 350.422 2.662 20 10 FFCDRO COCCN1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)CC1=O ZINC000787238710 1001679438 /nfs/dbraw/zinc/67/94/38/1001679438.db2.gz BGPMJXMHFDSNIS-UHFFFAOYSA-N 1 0 368.433 2.972 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000788206821 1001771852 /nfs/dbraw/zinc/77/18/52/1001771852.db2.gz WOCROKORBCEGCU-JOCHJYFZSA-N 1 0 369.509 2.931 20 10 FFCDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788549352 1001819111 /nfs/dbraw/zinc/81/91/11/1001819111.db2.gz WBNFGBZAWGCCIL-UXLLHSPISA-N 1 0 361.465 2.599 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001204342046 1001900488 /nfs/dbraw/zinc/90/04/88/1001900488.db2.gz ODSCITQNPWDGPI-MLGOLLRUSA-N 1 0 355.276 2.547 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3=C(C)CCC3)CC2)cc1 ZINC000746797149 1002014409 /nfs/dbraw/zinc/01/44/09/1002014409.db2.gz XTPGIKFGHFJEPV-UHFFFAOYSA-N 1 0 357.498 2.824 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4cnccn4)CC3)c2c1 ZINC000012914266 1016597110 /nfs/dbraw/zinc/59/71/10/1016597110.db2.gz SYGOXBXRZWVVSK-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000774686128 1002407023 /nfs/dbraw/zinc/40/70/23/1002407023.db2.gz GTUYWBJIVDTHDS-CVEARBPZSA-N 1 0 365.470 2.938 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(C1)OCc1ccccc13)[C@H](O)CO2 ZINC000774701031 1002448851 /nfs/dbraw/zinc/44/88/51/1002448851.db2.gz FWWUSGKQDJAARW-CTNGQTDRSA-N 1 0 353.418 2.840 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COC3(C)CCC3)cc2F)CC1 ZINC000773051962 1002515009 /nfs/dbraw/zinc/51/50/09/1002515009.db2.gz XYYLUJUHDQBAKF-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1F ZINC000791003620 1002540839 /nfs/dbraw/zinc/54/08/39/1002540839.db2.gz ZQERPBWDQQDUSA-SFHVURJKSA-N 1 0 359.420 2.922 20 10 FFCDRO CCc1ccnc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1 ZINC000774816612 1002795666 /nfs/dbraw/zinc/79/56/66/1002795666.db2.gz RNIFRVXLQFDMLS-UHFFFAOYSA-N 1 0 370.472 2.855 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000792920587 1003231877 /nfs/dbraw/zinc/23/18/77/1003231877.db2.gz ZBWWXGYVIFKAKS-QILLFSRXSA-N 1 0 364.461 2.730 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000792930119 1003237610 /nfs/dbraw/zinc/23/76/10/1003237610.db2.gz HWOCUHHHZIWJDN-HNNXBMFYSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1 ZINC000793146725 1003292595 /nfs/dbraw/zinc/29/25/95/1003292595.db2.gz AYBNLMDJQXRTIF-GDBMZVCRSA-N 1 0 361.486 2.853 20 10 FFCDRO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793566692 1003426846 /nfs/dbraw/zinc/42/68/46/1003426846.db2.gz IPCDVKVERNLEDV-CQSZACIVSA-N 1 0 374.462 2.757 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000793741392 1003489235 /nfs/dbraw/zinc/48/92/35/1003489235.db2.gz CPQWZXARCIFJDX-OAQYLSRUSA-N 1 0 354.450 2.860 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000103596740 1003695827 /nfs/dbraw/zinc/69/58/27/1003695827.db2.gz BWMWJWPAJRFFDC-NVXWUHKLSA-N 1 0 371.481 2.934 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1O ZINC001196198288 1003699810 /nfs/dbraw/zinc/69/98/10/1003699810.db2.gz JEEWCPVNJKNLEB-QGZVFWFLSA-N 1 0 364.461 2.809 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)cc2=O ZINC000775710253 1003745030 /nfs/dbraw/zinc/74/50/30/1003745030.db2.gz VWABDMIWSLCAJX-SWLSCSKDSA-N 1 0 360.458 2.916 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1cccc(C)c1 ZINC000747235859 1003987451 /nfs/dbraw/zinc/98/74/51/1003987451.db2.gz IEWBOAAURVQTHH-UXHICEINSA-N 1 0 367.493 2.996 20 10 FFCDRO C[C@@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805866912 1004163951 /nfs/dbraw/zinc/16/39/51/1004163951.db2.gz SEKZJKIJFCZZEB-UZLBHIALSA-N 1 0 356.514 2.816 20 10 FFCDRO Cc1cccc(N(C(=O)c2cc(O)c([O-])c(Cl)c2)C2CC[NH2+]CC2)n1 ZINC001193612388 1004522999 /nfs/dbraw/zinc/52/29/99/1004522999.db2.gz OGBIHKPVQMLDEK-UHFFFAOYSA-N 1 0 361.829 2.853 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775833531 1004546204 /nfs/dbraw/zinc/54/62/04/1004546204.db2.gz CWLCTOMTYZIDKT-HNNXBMFYSA-N 1 0 371.481 2.737 20 10 FFCDRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834454 1004570358 /nfs/dbraw/zinc/57/03/58/1004570358.db2.gz ONNAEUQPKUJVSA-OAHLLOKOSA-N 1 0 368.481 2.792 20 10 FFCDRO C[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc4occc4c3)c2)CC1 ZINC001198854397 1004753449 /nfs/dbraw/zinc/75/34/49/1004753449.db2.gz BLTQODHBJGUFOY-UHFFFAOYSA-N 1 0 371.462 2.985 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000808157098 1004763563 /nfs/dbraw/zinc/76/35/63/1004763563.db2.gz SKXKEZWZMJCNMX-OALUTQOASA-N 1 0 371.456 2.514 20 10 FFCDRO COc1ccccc1OC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001195280644 1004930610 /nfs/dbraw/zinc/93/06/10/1004930610.db2.gz DMJSUEYKSJZJNO-UHFFFAOYSA-N 1 0 355.438 2.736 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000776023007 1005021010 /nfs/dbraw/zinc/02/10/10/1005021010.db2.gz DXNGFSZSKUTISN-UHFFFAOYSA-N 1 0 358.413 2.739 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000107329402 1005416745 /nfs/dbraw/zinc/41/67/45/1005416745.db2.gz QXTBQWYEFCOGHJ-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1cc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c(C(C)(C)C)c1 ZINC000850238265 1005798017 /nfs/dbraw/zinc/79/80/17/1005798017.db2.gz CTYKNJIVBOCIJU-INIZCTEOSA-N 1 0 365.470 2.710 20 10 FFCDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406914 1005813621 /nfs/dbraw/zinc/81/36/21/1005813621.db2.gz YVSDYHVHYHVITA-UHFFFAOYSA-N 1 0 354.498 2.939 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000109347498 1005816661 /nfs/dbraw/zinc/81/66/61/1005816661.db2.gz UCSTUNYUANYXII-UTKZUKDTSA-N 1 0 365.477 2.979 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cnnn4)cc3)C2)cc1 ZINC000850488389 1005818159 /nfs/dbraw/zinc/81/81/59/1005818159.db2.gz MOGHCTDHUGVWPK-NVXWUHKLSA-N 1 0 364.453 2.600 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc4c(c3)OCC(=O)N4)C2)cc1 ZINC000850488236 1005818173 /nfs/dbraw/zinc/81/81/73/1005818173.db2.gz MBHZUJVEJAPQIB-GOEBONIOSA-N 1 0 367.449 2.956 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c(O)c1 ZINC000850557614 1005822299 /nfs/dbraw/zinc/82/22/99/1005822299.db2.gz XBNILPSVLOXTKX-XMSQKQJNSA-N 1 0 370.493 2.615 20 10 FFCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000850567964 1005823083 /nfs/dbraw/zinc/82/30/83/1005823083.db2.gz MWSXONJJCMHODP-INIZCTEOSA-N 1 0 355.482 2.772 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1F ZINC000850759089 1005836867 /nfs/dbraw/zinc/83/68/67/1005836867.db2.gz LYSTYFWSWFQZJN-LJQANCHMSA-N 1 0 372.444 2.874 20 10 FFCDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000852011825 1005932793 /nfs/dbraw/zinc/93/27/93/1005932793.db2.gz ARNSCWJVVFDBCP-AEFFLSMTSA-N 1 0 374.529 2.756 20 10 FFCDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000852355229 1005990489 /nfs/dbraw/zinc/99/04/89/1005990489.db2.gz QHELYKRTFYQGEP-HKUYNNGSSA-N 1 0 363.546 2.592 20 10 FFCDRO CC[C@H](C)CONC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000813701175 1006022777 /nfs/dbraw/zinc/02/27/77/1006022777.db2.gz JPFOARWQTOQCCV-KRWDZBQOSA-N 1 0 374.529 2.996 20 10 FFCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C1CC1 ZINC000852598737 1006096093 /nfs/dbraw/zinc/09/60/93/1006096093.db2.gz YJNOHYMRJPRLAC-GOSISDBHSA-N 1 0 362.493 2.955 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000852654606 1006126791 /nfs/dbraw/zinc/12/67/91/1006126791.db2.gz LFZJRGVYRNMCLB-NRFANRHFSA-N 1 0 366.509 2.580 20 10 FFCDRO COc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1OC(C)C ZINC000852791534 1006185088 /nfs/dbraw/zinc/18/50/88/1006185088.db2.gz IVQXRTOFMDCKTK-GOSISDBHSA-N 1 0 371.481 2.978 20 10 FFCDRO C[C@H](NC(=O)c1cccc2c1C[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000852795770 1006187788 /nfs/dbraw/zinc/18/77/88/1006187788.db2.gz KDZTTZDLBUBZBN-HNNXBMFYSA-N 1 0 351.450 2.617 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000852864895 1006211635 /nfs/dbraw/zinc/21/16/35/1006211635.db2.gz LOCSTVHPLGFPDX-UHFFFAOYSA-N 1 0 365.477 2.740 20 10 FFCDRO Cc1cc(C(=O)Nc2nn(C)c(C)c2C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000852899494 1006225541 /nfs/dbraw/zinc/22/55/41/1006225541.db2.gz JLJKFUIIZCTPQV-UHFFFAOYSA-N 1 0 355.417 2.986 20 10 FFCDRO O[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccn1 ZINC000853098299 1006294536 /nfs/dbraw/zinc/29/45/36/1006294536.db2.gz MLLJMPRTIAFZJA-GOSISDBHSA-N 1 0 363.408 2.975 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Nc1cccc(F)c1 ZINC000853122379 1006304606 /nfs/dbraw/zinc/30/46/06/1006304606.db2.gz PMGFKGPCSQLGCB-UHFFFAOYSA-N 1 0 371.456 2.905 20 10 FFCDRO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235069 1006362957 /nfs/dbraw/zinc/36/29/57/1006362957.db2.gz LIWVXYKCNSRXRB-WBVHZDCISA-N 1 0 370.449 2.511 20 10 FFCDRO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1O ZINC000111235265 1006363243 /nfs/dbraw/zinc/36/32/43/1006363243.db2.gz LUZQXMVIPVJODK-MRXNPFEDSA-N 1 0 371.456 2.700 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]1c1ccco1)[C@@H](O)CO2 ZINC000853549803 1006440484 /nfs/dbraw/zinc/44/04/84/1006440484.db2.gz ITOALYKQIDSPSE-LPHOPBHVSA-N 1 0 357.406 2.765 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ccnc4cccnc43)cc2F)CC1 ZINC000814844870 1006448268 /nfs/dbraw/zinc/44/82/68/1006448268.db2.gz RZJBVWJXXLRYOR-UHFFFAOYSA-N 1 0 365.456 2.945 20 10 FFCDRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCCCCC2)cc1 ZINC000854231234 1006734424 /nfs/dbraw/zinc/73/44/24/1006734424.db2.gz HLOPQAFABQFHFB-OAHLLOKOSA-N 1 0 355.486 2.872 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1 ZINC000854299425 1006763765 /nfs/dbraw/zinc/76/37/65/1006763765.db2.gz IRWPVNOJZSTZCP-QKLQHJQFSA-N 1 0 374.529 2.646 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C ZINC000854299236 1006764680 /nfs/dbraw/zinc/76/46/80/1006764680.db2.gz GXIAFHIBDBGFCU-SCTDSRPQSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000854300395 1006766093 /nfs/dbraw/zinc/76/60/93/1006766093.db2.gz YZHYIGHUNDSOPK-WMZOPIPTSA-N 1 0 374.529 2.646 20 10 FFCDRO CNc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000883576979 1006881818 /nfs/dbraw/zinc/88/18/18/1006881818.db2.gz XSOXPJYFVUDUPA-UHFFFAOYSA-N 1 0 353.470 2.802 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816484816 1007066057 /nfs/dbraw/zinc/06/60/57/1007066057.db2.gz PNSJJEMRFYXKJE-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000775256967 1007111555 /nfs/dbraw/zinc/11/15/55/1007111555.db2.gz BKACMLZYKWOYJI-FOIQADDNSA-N 1 0 371.437 2.816 20 10 FFCDRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816570823 1007121236 /nfs/dbraw/zinc/12/12/36/1007121236.db2.gz IEIZPDJIBHKJEQ-UHFFFAOYSA-N 1 0 360.454 2.864 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000817938336 1007816384 /nfs/dbraw/zinc/81/63/84/1007816384.db2.gz JDMBSNDSWSWAFC-VGSWGCGISA-N 1 0 368.525 2.940 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000817943496 1007821085 /nfs/dbraw/zinc/82/10/85/1007821085.db2.gz UQDFEULFHYWAQH-KXBFYZLASA-N 1 0 350.470 2.684 20 10 FFCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817996936 1007828259 /nfs/dbraw/zinc/82/82/59/1007828259.db2.gz GBUKJWCMJZNBMD-QAPCUYQASA-N 1 0 370.522 2.872 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cncn3C(C)C)CC2)cc1 ZINC000818173836 1007878205 /nfs/dbraw/zinc/87/82/05/1007878205.db2.gz AZXNVABAIUMDBC-UHFFFAOYSA-N 1 0 371.529 2.775 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000818272385 1007908065 /nfs/dbraw/zinc/90/80/65/1007908065.db2.gz PTOMPVABRZMYLP-HZPDHXFCSA-N 1 0 353.466 2.971 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000114506131 1007933923 /nfs/dbraw/zinc/93/39/23/1007933923.db2.gz NSCGVKGGXSEFGL-UHFFFAOYSA-N 1 0 368.393 2.999 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000114591093 1007969532 /nfs/dbraw/zinc/96/95/32/1007969532.db2.gz MXDIQAQHFFTBRS-HUUCEWRRSA-N 1 0 363.502 2.957 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000818984551 1008000697 /nfs/dbraw/zinc/00/06/97/1008000697.db2.gz BWEMEEAYVLGCHX-UHFFFAOYSA-N 1 0 360.389 2.918 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COc3cccc(C)c3)C2)cc1 ZINC000819379759 1008128013 /nfs/dbraw/zinc/12/80/13/1008128013.db2.gz KXRFFZOLXSDRKP-ICSRJNTNSA-N 1 0 370.493 2.859 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC000819581940 1008182677 /nfs/dbraw/zinc/18/26/77/1008182677.db2.gz GSFPMYYPTVODCZ-GOSISDBHSA-N 1 0 359.514 2.904 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccnc(F)c3)CC2)cc1 ZINC000858091074 1008299615 /nfs/dbraw/zinc/29/96/15/1008299615.db2.gz WVFWCDNLBADLSK-UHFFFAOYSA-N 1 0 358.461 2.531 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000858119352 1008304950 /nfs/dbraw/zinc/30/49/50/1008304950.db2.gz OBLBMIPNQAPCNS-MRXNPFEDSA-N 1 0 353.466 2.947 20 10 FFCDRO COCC[N@H+](C)CCCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000858457670 1008363892 /nfs/dbraw/zinc/36/38/92/1008363892.db2.gz LPFONKLIKAMCDS-UHFFFAOYSA-N 1 0 371.481 2.605 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)ccc21 ZINC000858870144 1008443048 /nfs/dbraw/zinc/44/30/48/1008443048.db2.gz UJKVUJVUTMMQAW-LJQANCHMSA-N 1 0 356.514 2.885 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000859050776 1008469410 /nfs/dbraw/zinc/46/94/10/1008469410.db2.gz QKFLHSKEIBKOBI-UHFFFAOYSA-N 1 0 367.493 2.907 20 10 FFCDRO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)O2)[C@H]1C ZINC000886341268 1008643690 /nfs/dbraw/zinc/64/36/90/1008643690.db2.gz SFMYXAQAKLMXEN-IDPBPBMLSA-N 1 0 360.498 2.585 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822967948 1008844197 /nfs/dbraw/zinc/84/41/97/1008844197.db2.gz TXMDJSZZVKVAQZ-SJORKVTESA-N 1 0 362.518 2.551 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823252097 1008996102 /nfs/dbraw/zinc/99/61/02/1008996102.db2.gz HJBGJDDSFWILHO-KRWDZBQOSA-N 1 0 362.518 2.553 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726947 1009208217 /nfs/dbraw/zinc/20/82/17/1009208217.db2.gz ZIPGQIVSKRMJCI-HKUYNNGSSA-N 1 0 374.529 2.647 20 10 FFCDRO [NH3+]CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001179691644 1009405032 /nfs/dbraw/zinc/40/50/32/1009405032.db2.gz YZAWZYDZWQQPFN-DUXPYHPUSA-N 1 0 356.466 2.867 20 10 FFCDRO COc1nc(Cl)c(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1C ZINC001179751306 1009438289 /nfs/dbraw/zinc/43/82/89/1009438289.db2.gz MRGHOTTYKQXXMN-HNNXBMFYSA-N 1 0 365.909 2.541 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000861808287 1009566114 /nfs/dbraw/zinc/56/61/14/1009566114.db2.gz KMWLKSTYEBQZDT-FXAWDEMLSA-N 1 0 351.450 2.683 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000862366994 1009809918 /nfs/dbraw/zinc/80/99/18/1009809918.db2.gz RDYBEEICQNTICQ-CJNGLKHVSA-N 1 0 366.458 2.515 20 10 FFCDRO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000862446489 1009847107 /nfs/dbraw/zinc/84/71/07/1009847107.db2.gz FDHQHZVUAABLGY-UHFFFAOYSA-N 1 0 354.450 2.529 20 10 FFCDRO COCCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000889666890 1010047772 /nfs/dbraw/zinc/04/77/72/1010047772.db2.gz UDVLIWJZHQDBBY-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889772879 1010104396 /nfs/dbraw/zinc/10/43/96/1010104396.db2.gz CMVOWIPCUZNKNO-IRXDYDNUSA-N 1 0 373.522 2.827 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3n[nH]cc3C)C[C@H]2C)cc1C ZINC001093762984 1010534515 /nfs/dbraw/zinc/53/45/15/1010534515.db2.gz SOJZJFBXJNMHIK-NVXWUHKLSA-N 1 0 356.470 2.533 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000864636543 1010537109 /nfs/dbraw/zinc/53/71/09/1010537109.db2.gz NEKRLKPNHUNICC-UHFFFAOYSA-N 1 0 357.502 2.563 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nc(C)c[nH]3)C[C@H]2C)cc1C ZINC001094097534 1010857899 /nfs/dbraw/zinc/85/78/99/1010857899.db2.gz DTNNGLCAEYUAJB-RHSMWYFYSA-N 1 0 356.470 2.533 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000120811101 1010891863 /nfs/dbraw/zinc/89/18/63/1010891863.db2.gz JNMDZQUWNLPQQI-ROUUACIJSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000866237812 1010959237 /nfs/dbraw/zinc/95/92/37/1010959237.db2.gz KDURELSMIRHCTQ-PXNSSMCTSA-N 1 0 366.509 2.894 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CCC(C)([NH+](C)C)CC3)C2)cc1 ZINC000868761820 1011461407 /nfs/dbraw/zinc/46/14/07/1011461407.db2.gz HPKVGXHUGYRGPN-BATSVXPKSA-N 1 0 374.529 2.836 20 10 FFCDRO CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001171904994 1011530453 /nfs/dbraw/zinc/53/04/53/1011530453.db2.gz IMWAPSLSJJREOZ-AJUCZRQESA-N 1 0 351.443 2.621 20 10 FFCDRO COC1CCN(c2ccc(CN3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000828036983 1032580772 /nfs/dbraw/zinc/58/07/72/1032580772.db2.gz QMAJOIUHZFNEEV-SFTDATJTSA-N 1 0 360.498 2.682 20 10 FFCDRO COC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC001172632132 1011906287 /nfs/dbraw/zinc/90/62/87/1011906287.db2.gz HWBXIHUQHFNUBC-CVEARBPZSA-N 1 0 362.470 2.558 20 10 FFCDRO O=C(CN1CC[C@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O)c1cccs1 ZINC001275231627 1012112803 /nfs/dbraw/zinc/11/28/03/1012112803.db2.gz DMBZWFMNGPQCIC-FQEVSTJZSA-N 1 0 370.474 2.761 20 10 FFCDRO CC(=O)[C@@H](C)N1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001275238946 1012121541 /nfs/dbraw/zinc/12/15/41/1012121541.db2.gz NOOQSTCTHQPCTK-MRXNPFEDSA-N 1 0 358.482 2.883 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC(F)F)C3=O)CC2)c1O ZINC001275244765 1012134722 /nfs/dbraw/zinc/13/47/22/1012134722.db2.gz QQDPDGPHFIFURR-LJQANCHMSA-N 1 0 368.424 2.871 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275249282 1012142685 /nfs/dbraw/zinc/14/26/85/1012142685.db2.gz ZEGOKSXACBUXFE-IBGZPJMESA-N 1 0 366.889 2.897 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1O ZINC001275278772 1012190732 /nfs/dbraw/zinc/19/07/32/1012190732.db2.gz DALVGQHTBWUHRN-CYBMUJFWSA-N 1 0 372.387 2.687 20 10 FFCDRO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001275387837 1012408554 /nfs/dbraw/zinc/40/85/54/1012408554.db2.gz KKJZDOICLRNWSG-QGZVFWFLSA-N 1 0 360.498 2.844 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001275596539 1012668975 /nfs/dbraw/zinc/66/89/75/1012668975.db2.gz ADXFVOUIJUMPSS-DYESRHJHSA-N 1 0 359.514 2.602 20 10 FFCDRO CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275597917 1012673762 /nfs/dbraw/zinc/67/37/62/1012673762.db2.gz LFXQOVOSGMYZFK-OAQYLSRUSA-N 1 0 359.514 2.746 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(O)c(O)c(OC)c1 ZINC001275675223 1012832957 /nfs/dbraw/zinc/83/29/57/1012832957.db2.gz BKMZOCVRNWKZFD-JLTOFOAXSA-N 1 0 362.470 2.862 20 10 FFCDRO CC(C)[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](C)[NH3+] ZINC000828359606 1032677728 /nfs/dbraw/zinc/67/77/28/1032677728.db2.gz ZRNNJZXZJSPYRD-GUYCJALGSA-N 1 0 369.456 2.992 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC34CCCCC4)cc2)C1 ZINC000924731799 1017453582 /nfs/dbraw/zinc/45/35/82/1017453582.db2.gz ZXMUNFOKJZGQQA-QUCCMNQESA-N 1 0 371.525 2.970 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000925503496 1017770744 /nfs/dbraw/zinc/77/07/44/1017770744.db2.gz NIJCTQJHNQVUDR-QVKFZJNVSA-N 1 0 357.473 2.965 20 10 FFCDRO NC(=O)C1CCN(c2ccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000925776223 1017847716 /nfs/dbraw/zinc/84/77/16/1017847716.db2.gz FNFUJPJFSVIKCV-LEWJYISDSA-N 1 0 364.493 2.623 20 10 FFCDRO Cc1cc(C(=O)CN(C)C[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cn1 ZINC000828492394 1032726083 /nfs/dbraw/zinc/72/60/83/1032726083.db2.gz KIESVSFUUCSWOW-MAUKXSAKSA-N 1 0 359.445 2.904 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000925900964 1017889638 /nfs/dbraw/zinc/88/96/38/1017889638.db2.gz VDMFIHANZFBLDJ-KSSFIOAISA-N 1 0 372.469 2.849 20 10 FFCDRO Cc1cc(C(=O)CN2CC[N@@H+](C)CC2(C)C)c(C)n1-c1ccc(F)cn1 ZINC000828575864 1032760936 /nfs/dbraw/zinc/76/09/36/1032760936.db2.gz FHQSREGOLNKGFD-UHFFFAOYSA-N 1 0 358.461 2.837 20 10 FFCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000389811227 1019696358 /nfs/dbraw/zinc/69/63/58/1019696358.db2.gz ZFQNTFOFVWIQJB-OCCSQVGLSA-N 1 0 364.442 2.856 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2)cc1 ZINC000802311484 1019988700 /nfs/dbraw/zinc/98/87/00/1019988700.db2.gz TWOFEQVRIUFSRY-DYESRHJHSA-N 1 0 374.525 2.821 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C)c(O)c3O)c2)CC1 ZINC000187402047 1020230243 /nfs/dbraw/zinc/23/02/43/1020230243.db2.gz KVHCCWSIJCZGPO-UHFFFAOYSA-N 1 0 355.438 2.800 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4[C@H]3CCCN4CCO)c2c1 ZINC000902642121 1020363474 /nfs/dbraw/zinc/36/34/74/1020363474.db2.gz FFZOWTUYFXEUND-UXHICEINSA-N 1 0 356.466 2.585 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCC4)cc2)C1 ZINC000903075297 1020665411 /nfs/dbraw/zinc/66/54/11/1020665411.db2.gz SYMVMZMXTWWVHA-IEBWSBKVSA-N 1 0 357.498 2.580 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@H]2C)cc1C ZINC001074695118 1020668243 /nfs/dbraw/zinc/66/82/43/1020668243.db2.gz GCYUUHKVUSVKRM-HPBDAGMYSA-N 1 0 368.481 2.609 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(F)cc1C)cc2=O ZINC000932560892 1020834333 /nfs/dbraw/zinc/83/43/33/1020834333.db2.gz VMQDFXPPSDTXGU-GFCCVEGCSA-N 1 0 372.400 2.910 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(O)c1 ZINC001117750351 1021858008 /nfs/dbraw/zinc/85/80/08/1021858008.db2.gz HPYKLSYBVNFMGG-SZNDQCEHSA-N 1 0 367.449 2.914 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)cc2F)CC1 ZINC001118202270 1022116760 /nfs/dbraw/zinc/11/67/60/1022116760.db2.gz UFZJCGIPFVYJKX-LJQANCHMSA-N 1 0 354.473 2.962 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCCc1ccsc13)[C@@H](O)CO2 ZINC000778578108 1022130623 /nfs/dbraw/zinc/13/06/23/1022130623.db2.gz QHBIATJCCXBXQT-KRWDZBQOSA-N 1 0 373.474 2.944 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001118640647 1022331904 /nfs/dbraw/zinc/33/19/04/1022331904.db2.gz MIZZDLRFIUKMBU-CQSZACIVSA-N 1 0 350.768 2.854 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1O ZINC000750816954 1022577519 /nfs/dbraw/zinc/57/75/19/1022577519.db2.gz DWMYPZUXUBPTPG-CQSZACIVSA-N 1 0 371.412 2.980 20 10 FFCDRO CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000752258299 1023102964 /nfs/dbraw/zinc/10/29/64/1023102964.db2.gz VWTIHGWWCOPBDG-UHFFFAOYSA-N 1 0 365.437 2.689 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c(O)c1OC ZINC001119948241 1023177045 /nfs/dbraw/zinc/17/70/45/1023177045.db2.gz KSGRGLISNPTGHN-HNNXBMFYSA-N 1 0 356.422 2.584 20 10 FFCDRO CCC(CC)(CC)[NH2+]C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754069991 1023421803 /nfs/dbraw/zinc/42/18/03/1023421803.db2.gz VZJDMBWCSBHVJM-IBGZPJMESA-N 1 0 363.546 2.737 20 10 FFCDRO Cc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218401417 1033138339 /nfs/dbraw/zinc/13/83/39/1033138339.db2.gz HJNBANRDEITEJH-STQMWFEESA-N 1 0 351.402 2.995 20 10 FFCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000077412289 1023604069 /nfs/dbraw/zinc/60/40/69/1023604069.db2.gz QOVKXYMPYNCYAW-QGZVFWFLSA-N 1 0 372.440 2.764 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756434711 1023710718 /nfs/dbraw/zinc/71/07/18/1023710718.db2.gz OWLKIRUONPDLNR-WBMJQRKESA-N 1 0 358.413 2.994 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(O)c1 ZINC000756574420 1023730401 /nfs/dbraw/zinc/73/04/01/1023730401.db2.gz LRHBGZJPJKZOIU-MRXNPFEDSA-N 1 0 374.506 2.786 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCCO[C@@H]2CCOC2)ccc1N1CCCCC1 ZINC000756900653 1023766371 /nfs/dbraw/zinc/76/63/71/1023766371.db2.gz UXSHNJBWFOBDCA-QGZVFWFLSA-N 1 0 363.458 2.870 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218460921 1033166946 /nfs/dbraw/zinc/16/69/46/1033166946.db2.gz OWBSMBVNCXLMGU-XGWLTEMNSA-N 1 0 363.413 2.853 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218460923 1033167173 /nfs/dbraw/zinc/16/71/73/1033167173.db2.gz OWBSMBVNCXLMGU-YLQAJVPDSA-N 1 0 363.413 2.853 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@H]3C[NH2+]C[C@@H]31)C(=O)c1ccccc1C2=O ZINC001218460581 1033167258 /nfs/dbraw/zinc/16/72/58/1033167258.db2.gz MXPRHTHOSZGPIO-ULFGMLNVSA-N 1 0 363.413 2.853 20 10 FFCDRO CCCN(CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000758028914 1023907944 /nfs/dbraw/zinc/90/79/44/1023907944.db2.gz GWRYLOOEPHVSDR-UHFFFAOYSA-N 1 0 361.530 2.992 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000758738615 1024279769 /nfs/dbraw/zinc/27/97/69/1024279769.db2.gz DZAVSZYVIKCKDP-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(O)c3O)CC[N@@H+]2C2CC2)c1 ZINC000193154699 1024404727 /nfs/dbraw/zinc/40/47/27/1024404727.db2.gz JAIVTMGNJASHNL-HKUYNNGSSA-N 1 0 368.433 2.814 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000080210249 1024503950 /nfs/dbraw/zinc/50/39/50/1024503950.db2.gz YQKNFKNFVIULLD-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137855235 1033220568 /nfs/dbraw/zinc/22/05/68/1033220568.db2.gz QWIZCEVPUDEUSH-QAPCUYQASA-N 1 0 354.450 2.667 20 10 FFCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001218582696 1033232105 /nfs/dbraw/zinc/23/21/05/1033232105.db2.gz YXGMTKWFGZSRJB-FKEUZNKFSA-N 1 0 356.430 2.748 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1O ZINC000759754394 1024765921 /nfs/dbraw/zinc/76/59/21/1024765921.db2.gz DULRMCBTUCUJLC-HXUWFJFHSA-N 1 0 357.406 2.717 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088564108 1025422241 /nfs/dbraw/zinc/42/22/41/1025422241.db2.gz JRSRETQJCUWAJD-UHFFFAOYSA-N 1 0 358.486 2.927 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc21 ZINC001141140325 1025508266 /nfs/dbraw/zinc/50/82/66/1025508266.db2.gz KOJDPEWXCALGNI-UHFFFAOYSA-N 1 0 373.497 2.958 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)ccc21 ZINC001141141608 1025509979 /nfs/dbraw/zinc/50/99/79/1025509979.db2.gz UAMFBIJLYSEXSK-UHFFFAOYSA-N 1 0 350.466 2.783 20 10 FFCDRO CN1CCOc2cc(C[N@H+]3C[C@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)ccc21 ZINC001141145553 1025521173 /nfs/dbraw/zinc/52/11/73/1025521173.db2.gz VUCRAZFKJZDJNW-WBVHZDCISA-N 1 0 359.470 2.566 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc21 ZINC001141145545 1025521300 /nfs/dbraw/zinc/52/13/00/1025521300.db2.gz VUCRAZFKJZDJNW-DOTOQJQBSA-N 1 0 359.470 2.566 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001141158062 1025539360 /nfs/dbraw/zinc/53/93/60/1025539360.db2.gz RXTZPFLXSIVMKI-QKNQBKEWSA-N 1 0 370.449 2.832 20 10 FFCDRO COc1ccccc1C(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161308 1025544588 /nfs/dbraw/zinc/54/45/88/1025544588.db2.gz DGRUVOZTRJFQRC-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000246293522 1025950879 /nfs/dbraw/zinc/95/08/79/1025950879.db2.gz XXUZRQSBVNDDFL-HBUWYVDXSA-N 1 0 364.461 2.808 20 10 FFCDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000837882053 1026084129 /nfs/dbraw/zinc/08/41/29/1026084129.db2.gz IKYIAOSSCAMNRX-ROUUACIJSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000838190102 1026249217 /nfs/dbraw/zinc/24/92/17/1026249217.db2.gz BJMYJCCAMQZMAP-LJQANCHMSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000246758411 1026430384 /nfs/dbraw/zinc/43/03/84/1026430384.db2.gz ZWUVZFPRUYKGEC-OXQOHEQNSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](NC(=O)N(C)C)C3)c2c1 ZINC000840147535 1026985212 /nfs/dbraw/zinc/98/52/12/1026985212.db2.gz SXFYGWRYCXHSQU-OAHLLOKOSA-N 1 0 357.454 2.790 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)[C@H]3CCCC[C@H]31)cc2=O ZINC000248413778 1027608224 /nfs/dbraw/zinc/60/82/24/1027608224.db2.gz GJUJRKPTIZJELJ-JGGQBBKZSA-N 1 0 358.442 2.622 20 10 FFCDRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000248456050 1027637592 /nfs/dbraw/zinc/63/75/92/1027637592.db2.gz RWYJJBSNUGKSDT-OTWHNJEPSA-N 1 0 373.541 2.848 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CNCC[NH3+] ZINC001160929411 1027928010 /nfs/dbraw/zinc/92/80/10/1027928010.db2.gz COYGBVRDXWHTGF-UHFFFAOYSA-N 1 0 363.505 2.614 20 10 FFCDRO CC(C)C[C@H]([NH3+])CC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534604 1028220335 /nfs/dbraw/zinc/22/03/35/1028220335.db2.gz PXXKCZZCDQPHPD-AWEZNQCLSA-N 1 0 373.419 2.997 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H](O)C(C)C)C[C@H]2C)cc1C ZINC001104147366 1028611711 /nfs/dbraw/zinc/61/17/11/1028611711.db2.gz WJQPASOXWOFTFS-YVWKXTFCSA-N 1 0 362.514 2.595 20 10 FFCDRO CNC(=O)c1cccnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155641017 1028830712 /nfs/dbraw/zinc/83/07/12/1028830712.db2.gz TTZMIWKUDLGZAG-ONCXSQPRSA-N 1 0 366.509 2.841 20 10 FFCDRO CCOc1cnc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC001156260436 1029116142 /nfs/dbraw/zinc/11/61/42/1029116142.db2.gz AEECLFRRXZRTGY-UHFFFAOYSA-N 1 0 371.485 2.508 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3ccnc(Cl)n3)cc2)CC1 ZINC001156650630 1029287749 /nfs/dbraw/zinc/28/77/49/1029287749.db2.gz AKDBZHBLGWOEOP-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3[nH]c4cc(=O)[nH]c-4cc3Cl)cc2)CC1 ZINC001156657264 1029291191 /nfs/dbraw/zinc/29/11/91/1029291191.db2.gz KNWJTPVVSKTXGU-UHFFFAOYSA-N 1 0 371.872 2.594 20 10 FFCDRO COC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncc1Cl ZINC001156656137 1029291238 /nfs/dbraw/zinc/29/12/38/1029291238.db2.gz PNOZWKPNYQTKDY-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO CSc1nc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656627 1029291961 /nfs/dbraw/zinc/29/19/61/1029291961.db2.gz XLKBEABOGRRABB-UHFFFAOYSA-N 1 0 364.906 2.611 20 10 FFCDRO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000781909116 1029467554 /nfs/dbraw/zinc/46/75/54/1029467554.db2.gz IDTMRQQDOIMAJD-ROUUACIJSA-N 1 0 359.514 2.745 20 10 FFCDRO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840975169 1029957722 /nfs/dbraw/zinc/95/77/22/1029957722.db2.gz DGRRJORIEODHII-OAHLLOKOSA-N 1 0 358.486 2.692 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2)CC1 ZINC000840997932 1029966592 /nfs/dbraw/zinc/96/65/92/1029966592.db2.gz ZBFQHSBPEPNQKJ-SXLOBPIMSA-N 1 0 357.498 2.656 20 10 FFCDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841094992 1030031431 /nfs/dbraw/zinc/03/14/31/1030031431.db2.gz ZXCAZBICIQJSGU-OAHLLOKOSA-N 1 0 368.481 2.678 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841283777 1030156101 /nfs/dbraw/zinc/15/61/01/1030156101.db2.gz XLCGTNARUMZXIL-UHFFFAOYSA-N 1 0 356.426 2.521 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841307677 1030178919 /nfs/dbraw/zinc/17/89/19/1030178919.db2.gz JDBJOUDZKDSXNP-UHFFFAOYSA-N 1 0 372.444 2.703 20 10 FFCDRO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841315603 1030186533 /nfs/dbraw/zinc/18/65/33/1030186533.db2.gz HHEICGPAHRELSM-UHFFFAOYSA-N 1 0 368.481 2.954 20 10 FFCDRO COC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@@H](C)O1 ZINC000783970292 1030372434 /nfs/dbraw/zinc/37/24/34/1030372434.db2.gz ZPQITYZWFLOPBO-HIFRSBDPSA-N 1 0 359.422 2.568 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841709734 1030422382 /nfs/dbraw/zinc/42/23/82/1030422382.db2.gz LWVVLBVTPVFOEV-OALUTQOASA-N 1 0 356.514 2.818 20 10 FFCDRO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000841730741 1030432891 /nfs/dbraw/zinc/43/28/91/1030432891.db2.gz VNQCBRFBGGVJLM-INIZCTEOSA-N 1 0 368.481 2.542 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1F ZINC000841759832 1030448569 /nfs/dbraw/zinc/44/85/69/1030448569.db2.gz ITLRDOLMUJZDTK-FUHWJXTLSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000841779754 1030462426 /nfs/dbraw/zinc/46/24/26/1030462426.db2.gz YHTGASAGUHBBPK-QAQDUYKDSA-N 1 0 374.529 2.728 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000841796540 1030471492 /nfs/dbraw/zinc/47/14/92/1030471492.db2.gz QCORSHSGKBCTPP-YESZJQIVSA-N 1 0 362.493 2.859 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000841798175 1030472155 /nfs/dbraw/zinc/47/21/55/1030472155.db2.gz GIZCGGKHPJMSJF-JZXOWHBKSA-N 1 0 362.493 2.941 20 10 FFCDRO COc1cc(N2CC[NH+](CCOCC3CCC3)CC2)cc(OC)c1OC ZINC000842159182 1030629847 /nfs/dbraw/zinc/62/98/47/1030629847.db2.gz ZHOANLNTXZKSPJ-UHFFFAOYSA-N 1 0 364.486 2.651 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203596498 1030778557 /nfs/dbraw/zinc/77/85/57/1030778557.db2.gz DRDZVCIPVAGGST-KGLIPLIRSA-N 1 0 354.422 2.838 20 10 FFCDRO COc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203621416 1030790045 /nfs/dbraw/zinc/79/00/45/1030790045.db2.gz DVQVMLBWOXEXPI-QZTJIDSGSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001203628827 1030794459 /nfs/dbraw/zinc/79/44/59/1030794459.db2.gz GQARPVKMHNHBDG-GHTZIAJQSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3ccc(OC)cc3OC)CC2)c(O)c1 ZINC001203634482 1030797696 /nfs/dbraw/zinc/79/76/96/1030797696.db2.gz IOUYJSHYBDVKKG-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)[C@@H](COC)C1=O ZINC001203658340 1030809742 /nfs/dbraw/zinc/80/97/42/1030809742.db2.gz KBZODILPEOWZQK-INIZCTEOSA-N 1 0 366.889 2.753 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001203671704 1030816174 /nfs/dbraw/zinc/81/61/74/1030816174.db2.gz UDXIOHAZRZTONZ-IHPCNDPISA-N 1 0 356.422 2.607 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001203673413 1030821226 /nfs/dbraw/zinc/82/12/26/1030821226.db2.gz YCBRRFANTDMXIH-PXNSSMCTSA-N 1 0 372.440 2.877 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC001203681404 1030823843 /nfs/dbraw/zinc/82/38/43/1030823843.db2.gz WKZDXCXNPHCZEN-MSOLQXFVSA-N 1 0 359.397 2.929 20 10 FFCDRO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000842632869 1030861397 /nfs/dbraw/zinc/86/13/97/1030861397.db2.gz LZLRINKCBIZZOT-MRXNPFEDSA-N 1 0 363.454 2.762 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)Cc1ccc(OC)c(F)c1 ZINC000842718278 1030920893 /nfs/dbraw/zinc/92/08/93/1030920893.db2.gz KXDZLKLOZXWQCI-KRWDZBQOSA-N 1 0 374.456 2.846 20 10 FFCDRO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877360 1030950430 /nfs/dbraw/zinc/95/04/30/1030950430.db2.gz DXWXIRSNKSMMBR-NRFANRHFSA-N 1 0 370.424 2.862 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccnc4[nH]ccc43)CC2)cc1 ZINC001142883370 1030995172 /nfs/dbraw/zinc/99/51/72/1030995172.db2.gz CAZJARNMVNRQIJ-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC001203936228 1030995791 /nfs/dbraw/zinc/99/57/91/1030995791.db2.gz KTXVLQMDWGQOAH-UHFFFAOYSA-N 1 0 356.470 2.903 20 10 FFCDRO COc1cccc(OCCN2CC[NH+](Cc3ccc(C)cc3O)CC2)c1 ZINC001204212377 1031163934 /nfs/dbraw/zinc/16/39/34/1031163934.db2.gz JAKPDRUHYXQDOB-UHFFFAOYSA-N 1 0 356.466 2.906 20 10 FFCDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843116198 1031192034 /nfs/dbraw/zinc/19/20/34/1031192034.db2.gz MNUPWRTYTHLKSI-NRFANRHFSA-N 1 0 367.493 2.678 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c(O)c1 ZINC001204273280 1031199229 /nfs/dbraw/zinc/19/92/29/1031199229.db2.gz MNUAXNXMGUKWOZ-PZJWPPBQSA-N 1 0 370.449 2.833 20 10 FFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)[C@@H]2CCCO[C@H]12 ZINC001204273367 1031199483 /nfs/dbraw/zinc/19/94/83/1031199483.db2.gz BBTXCRJGDUSJGA-GGPKGHCWSA-N 1 0 358.438 2.555 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c(O)c1 ZINC001204274046 1031202729 /nfs/dbraw/zinc/20/27/29/1031202729.db2.gz ZJPNHOABVYUTKD-SFHLNBCPSA-N 1 0 370.449 2.832 20 10 FFCDRO COc1cc(Br)cc(CN2CC([NH+]3CCCCC3)C2)c1O ZINC001204339469 1031234435 /nfs/dbraw/zinc/23/44/35/1031234435.db2.gz KISIGGMCIUOCOH-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO CCOC[C@@H]1COCCC12CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001204343194 1031237147 /nfs/dbraw/zinc/23/71/47/1031237147.db2.gz PYQHMWZXBOEDOP-MRXNPFEDSA-N 1 0 365.470 2.762 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)cc(O)c1O ZINC001204350052 1031245533 /nfs/dbraw/zinc/24/55/33/1031245533.db2.gz WJBJFVDVNRYZJV-IBGZPJMESA-N 1 0 374.462 2.797 20 10 FFCDRO Cc1noc(-c2ccccc2C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000843299544 1031299118 /nfs/dbraw/zinc/29/91/18/1031299118.db2.gz XNJMNMYAGBZMFJ-GOSISDBHSA-N 1 0 365.437 2.541 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCCN1C(=O)c2ccccc2C1=O ZINC000843349742 1031342988 /nfs/dbraw/zinc/34/29/88/1031342988.db2.gz KFKYPWICJJSYIE-UHFFFAOYSA-N 1 0 363.461 2.974 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H](C[NH3+])C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843362772 1031354966 /nfs/dbraw/zinc/35/49/66/1031354966.db2.gz QGXWUBJPSOSXRN-BBRMVZONSA-N 1 0 369.465 2.675 20 10 FFCDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000843378465 1031366423 /nfs/dbraw/zinc/36/64/23/1031366423.db2.gz ZITTXLQOSXOAQM-SFHVURJKSA-N 1 0 358.413 2.889 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(-c4cncnc4)cn3)cc2)CC1 ZINC000798431118 1031409602 /nfs/dbraw/zinc/40/96/02/1031409602.db2.gz YFKVSXFTFROHSE-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CC34CC[NH2+]CC4)c2C)cc1 ZINC000843477952 1031420913 /nfs/dbraw/zinc/42/09/13/1031420913.db2.gz CVEIINABLLKPLL-IBGZPJMESA-N 1 0 353.466 2.975 20 10 FFCDRO COc1ccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)c(O)c1 ZINC000843499167 1031430908 /nfs/dbraw/zinc/43/09/08/1031430908.db2.gz DVWBLSFXFGQCHC-UHFFFAOYSA-N 1 0 354.450 2.873 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3[NH2+]CCc4ccccc43)C2)cc1 ZINC000843504186 1031432245 /nfs/dbraw/zinc/43/22/45/1031432245.db2.gz DDVWOULWMWLNPL-KKSFZXQISA-N 1 0 365.477 2.525 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CCCCNC(N)=[NH2+])n2)cc1 ZINC001204887861 1031461359 /nfs/dbraw/zinc/46/13/59/1031461359.db2.gz AQSKMUFVZJQSKM-UHFFFAOYSA-N 1 0 352.442 2.950 20 10 FFCDRO O=C1NCCc2ccc(C[NH2+]Cc3ccc(Br)cc3O)cc21 ZINC001205299225 1031655189 /nfs/dbraw/zinc/65/51/89/1031655189.db2.gz LKSTWPLIHMJGOG-UHFFFAOYSA-N 1 0 361.239 2.730 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@H](CO)CC2)c(C)n1-c1ccc(F)cn1 ZINC000830048219 1033440854 /nfs/dbraw/zinc/44/08/54/1033440854.db2.gz KANVEOMDIXISKO-INIZCTEOSA-N 1 0 359.445 2.905 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC001219203989 1033553925 /nfs/dbraw/zinc/55/39/25/1033553925.db2.gz RKGFZBITJFBVLZ-YADGQWAMSA-N 1 0 351.450 2.850 20 10 FFCDRO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665480 1033732343 /nfs/dbraw/zinc/73/23/43/1033732343.db2.gz XWIWRPVIABUKRK-HUUCEWRRSA-N 1 0 367.440 2.763 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC000831116800 1033954114 /nfs/dbraw/zinc/95/41/14/1033954114.db2.gz HVTVWOMAECIVPE-INIZCTEOSA-N 1 0 368.481 2.542 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC000831116802 1033954853 /nfs/dbraw/zinc/95/48/53/1033954853.db2.gz HVTVWOMAECIVPE-MRXNPFEDSA-N 1 0 368.481 2.542 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4nccnc34)CC2)c(OC)c1 ZINC001138310005 1034109846 /nfs/dbraw/zinc/10/98/46/1034109846.db2.gz XSGAMZUAGHVUGO-UHFFFAOYSA-N 1 0 364.449 2.969 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CN(C2CCCC2)C(=O)CO3)c1O ZINC001277026122 1034172807 /nfs/dbraw/zinc/17/28/07/1034172807.db2.gz KFLBBUNIUXGZBM-HXUWFJFHSA-N 1 0 362.445 2.586 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(C4COC4)C3=O)C2)c1 ZINC001277056519 1034320593 /nfs/dbraw/zinc/32/05/93/1034320593.db2.gz MEAMVGXBOCJFQD-NRFANRHFSA-N 1 0 358.482 2.513 20 10 FFCDRO c1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(N4CCOCC4)cc2)C3)co1 ZINC001138496319 1034334316 /nfs/dbraw/zinc/33/43/16/1034334316.db2.gz MYNPDUPLCOUBLP-IRLDBZIGSA-N 1 0 367.493 2.823 20 10 FFCDRO CCN1C(=O)CCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138497852 1034337454 /nfs/dbraw/zinc/33/74/54/1034337454.db2.gz OWUKXUVNIBMOGM-UHFFFAOYSA-N 1 0 357.498 2.500 20 10 FFCDRO Cc1cccc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC001138499374 1034340620 /nfs/dbraw/zinc/34/06/20/1034340620.db2.gz GUNKTQXKNZVQDO-UHFFFAOYSA-N 1 0 366.509 2.939 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226465160 1034695993 /nfs/dbraw/zinc/69/59/93/1034695993.db2.gz PUDLPIFWTHEJBN-DGCLKSJQSA-N 1 0 361.394 2.504 20 10 FFCDRO Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CO2 ZINC000832284210 1034700137 /nfs/dbraw/zinc/70/01/37/1034700137.db2.gz IIBJCXWLWULPLE-MOPGFXCFSA-N 1 0 353.466 2.662 20 10 FFCDRO COc1cccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1F ZINC000832285524 1034701973 /nfs/dbraw/zinc/70/19/73/1034701973.db2.gz RMCOKIWIVPMYRY-KRWDZBQOSA-N 1 0 359.445 2.649 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000832293282 1034707865 /nfs/dbraw/zinc/70/78/65/1034707865.db2.gz UAJSFPKDTUNMRK-IBGZPJMESA-N 1 0 359.445 2.867 20 10 FFCDRO COC(=O)CN(Cc1ccccc1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258231 1035031984 /nfs/dbraw/zinc/03/19/84/1035031984.db2.gz NDPFQMJCJKMXSC-UHFFFAOYSA-N 1 0 372.465 2.638 20 10 FFCDRO COc1cc(CN2CCOC[C@H]2Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139260645 1035032037 /nfs/dbraw/zinc/03/20/37/1035032037.db2.gz OBSCNMAJUFTKMG-HXUWFJFHSA-N 1 0 370.493 2.906 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN(Cc3cocn3)Cc3cocn3)cc2)CC1 ZINC001139410914 1035095991 /nfs/dbraw/zinc/09/59/91/1035095991.db2.gz LQZMHSDCOWFQCA-UHFFFAOYSA-N 1 0 367.453 2.617 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cccnn4)C3)C2)cc1 ZINC001139968883 1035292712 /nfs/dbraw/zinc/29/27/12/1035292712.db2.gz BQYPBKLXTBUBPH-OAQYLSRUSA-N 1 0 368.481 2.604 20 10 FFCDRO O=C1CCCC2(CC[NH+](Cc3c(O)cccc3Br)CC2)N1 ZINC001140099500 1035341432 /nfs/dbraw/zinc/34/14/32/1035341432.db2.gz IAJWOKAFOUTDTF-UHFFFAOYSA-N 1 0 353.260 2.789 20 10 FFCDRO Cc1cncnc1O[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140102056 1035341543 /nfs/dbraw/zinc/34/15/43/1035341543.db2.gz IBMGOXIRGRNLEL-LBPRGKRZSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC001140184596 1035371963 /nfs/dbraw/zinc/37/19/63/1035371963.db2.gz AZUZBURSTZFXST-UHFFFAOYSA-N 1 0 374.506 2.906 20 10 FFCDRO O=C(C1CCCCC1)N1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834581676 1035409454 /nfs/dbraw/zinc/40/94/54/1035409454.db2.gz HZKOLCCWMNZTEN-IBGZPJMESA-N 1 0 371.525 2.694 20 10 FFCDRO COC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282994 1035417460 /nfs/dbraw/zinc/41/74/60/1035417460.db2.gz HTEBSXKKSOYYGG-FCHUYYIVSA-N 1 0 374.525 2.665 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc4n[nH]cc4c3)CC2)cc1 ZINC001140388545 1035462271 /nfs/dbraw/zinc/46/22/71/1035462271.db2.gz WZSVZMGUCQKHAX-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO O=C(NC1CCC1)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H]2OCC[C@H]21 ZINC001140466833 1035485051 /nfs/dbraw/zinc/48/50/51/1035485051.db2.gz JKNXTXPIZIGQPR-XYJFISCASA-N 1 0 364.873 2.551 20 10 FFCDRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)cc1O ZINC001140464835 1035485557 /nfs/dbraw/zinc/48/55/57/1035485557.db2.gz DBBQAZYSCMQOGH-CABCVRRESA-N 1 0 363.870 2.991 20 10 FFCDRO O=C(c1cccnc1)N1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140464824 1035485613 /nfs/dbraw/zinc/48/56/13/1035485613.db2.gz CYLXNSCYDZMYGJ-HOTGVXAUSA-N 1 0 357.841 2.645 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465724 1035485764 /nfs/dbraw/zinc/48/57/64/1035485764.db2.gz RZGNSJOILHECGV-KRWDZBQOSA-N 1 0 372.918 2.826 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000835036798 1035491691 /nfs/dbraw/zinc/49/16/91/1035491691.db2.gz NLJRVSFFFVLYPO-WHLIDYPQSA-N 1 0 370.449 2.524 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000835048334 1035493121 /nfs/dbraw/zinc/49/31/21/1035493121.db2.gz QFMCBRLGOASKOT-JEUZPXFCSA-N 1 0 364.493 2.942 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1O ZINC000835054132 1035494111 /nfs/dbraw/zinc/49/41/11/1035494111.db2.gz RERLFFWEPPSBEZ-VZSQWMKGSA-N 1 0 370.493 2.921 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232200380 1035496261 /nfs/dbraw/zinc/49/62/61/1035496261.db2.gz UYBSMEFIWHLBTO-OAHLLOKOSA-N 1 0 366.889 2.952 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CCC2(C1)OCCO2 ZINC001232202189 1035497700 /nfs/dbraw/zinc/49/77/00/1035497700.db2.gz SWLZLVHSDIAOPF-MRXNPFEDSA-N 1 0 366.889 2.904 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203542 1035498457 /nfs/dbraw/zinc/49/84/57/1035498457.db2.gz YEHTXPQHBTWFGY-MRXNPFEDSA-N 1 0 366.889 2.952 20 10 FFCDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(Cl)c(O)cc3O)O2)n1 ZINC001232259378 1035530618 /nfs/dbraw/zinc/53/06/18/1035530618.db2.gz BOWDERPGUCDGHP-WQVCFCJDSA-N 1 0 365.817 2.937 20 10 FFCDRO O=C(c1ccco1)N1CC[C@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]21 ZINC001232261053 1035534351 /nfs/dbraw/zinc/53/43/51/1035534351.db2.gz AQUBWHFJEXFQIT-SMDDNHRTSA-N 1 0 362.813 2.691 20 10 FFCDRO O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261107 1035534463 /nfs/dbraw/zinc/53/44/63/1035534463.db2.gz CFQAJEFPQYRZOI-AAEUAGOBSA-N 1 0 362.813 2.691 20 10 FFCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264564 1035535912 /nfs/dbraw/zinc/53/59/12/1035535912.db2.gz JCLOANWMRNNMHM-UHFFFAOYSA-N 1 0 352.862 2.974 20 10 FFCDRO CCC(=O)N(C)C1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232404252 1035652352 /nfs/dbraw/zinc/65/23/52/1035652352.db2.gz PZKKSFMZLRGNQJ-UHFFFAOYSA-N 1 0 371.481 2.798 20 10 FFCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001232405458 1035653323 /nfs/dbraw/zinc/65/33/23/1035653323.db2.gz LBPBEPBHBOEYSB-AWEZNQCLSA-N 1 0 358.438 2.740 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@@]12CCC[N@H+]2Cc1cccc(Cl)c1[O-] ZINC001277231839 1035671607 /nfs/dbraw/zinc/67/16/07/1035671607.db2.gz GDYPLHZBJAYGDR-SFHVURJKSA-N 1 0 361.829 2.801 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)cc1Cl ZINC001277665736 1035692999 /nfs/dbraw/zinc/69/29/99/1035692999.db2.gz KVYBTFUXJQOBGS-KRWDZBQOSA-N 1 0 374.815 2.744 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)c1 ZINC001140620102 1035745343 /nfs/dbraw/zinc/74/53/43/1035745343.db2.gz CIFHLDJCQRWTGQ-RXVVDRJESA-N 1 0 368.481 2.751 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c1 ZINC001140620101 1035746480 /nfs/dbraw/zinc/74/64/80/1035746480.db2.gz CIFHLDJCQRWTGQ-NQIIRXRSSA-N 1 0 368.481 2.751 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c1 ZINC001140623777 1035750472 /nfs/dbraw/zinc/75/04/72/1035750472.db2.gz RBBUALRWGWNUIU-INIZCTEOSA-N 1 0 350.459 2.504 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1O ZINC001140745038 1036037086 /nfs/dbraw/zinc/03/70/86/1036037086.db2.gz SZOBCBHKOMBCPI-UHFFFAOYSA-N 1 0 372.465 2.866 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001140748906 1036046705 /nfs/dbraw/zinc/04/67/05/1036046705.db2.gz UDOIOQXHLZDQCT-SFHVURJKSA-N 1 0 366.461 2.902 20 10 FFCDRO Cc1c(O)ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1O ZINC001140748629 1036047394 /nfs/dbraw/zinc/04/73/94/1036047394.db2.gz OXFZULTWGJOSFU-HKUYNNGSSA-N 1 0 372.440 2.883 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1O ZINC001140748084 1036047905 /nfs/dbraw/zinc/04/79/05/1036047905.db2.gz GASYYXWWEXLIMI-VDZJLULYSA-N 1 0 370.449 2.860 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)c(O)c1 ZINC001232836123 1036091014 /nfs/dbraw/zinc/09/10/14/1036091014.db2.gz LGAGKBYWOSZNPV-UHFFFAOYSA-N 1 0 361.486 2.901 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CN(CC1CCCC1)C(=O)CO2 ZINC001277315126 1036192578 /nfs/dbraw/zinc/19/25/78/1036192578.db2.gz HCNBUFJYDHTQTM-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(I)cc1O ZINC001232973806 1036200106 /nfs/dbraw/zinc/20/01/06/1036200106.db2.gz AUXVFPLDGPMJQQ-WDEREUQCSA-N 1 0 361.223 2.590 20 10 FFCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001232974303 1036207799 /nfs/dbraw/zinc/20/77/99/1036207799.db2.gz KOAOBFKZGAMBHD-LLVKDONJSA-N 1 0 361.223 2.591 20 10 FFCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1O ZINC001232979532 1036211465 /nfs/dbraw/zinc/21/14/65/1036211465.db2.gz FCEQDOXXCILVEH-ZDUSSCGKSA-N 1 0 361.223 2.732 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC001140853501 1036286007 /nfs/dbraw/zinc/28/60/07/1036286007.db2.gz ZVHCDAMMFVVGOT-UHFFFAOYSA-N 1 0 354.498 2.951 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1Br ZINC001233136772 1036384181 /nfs/dbraw/zinc/38/41/81/1036384181.db2.gz CAJXLWWIWIYBSF-YPMHNXCESA-N 1 0 355.276 2.547 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(N(C)C(C)=O)CC2)cc1Br ZINC001233142022 1036392362 /nfs/dbraw/zinc/39/23/62/1036392362.db2.gz PUFQNKULKHTOPP-UHFFFAOYSA-N 1 0 371.275 2.606 20 10 FFCDRO NC(=O)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001233198003 1036432238 /nfs/dbraw/zinc/43/22/38/1036432238.db2.gz VUEZFYOALSFUQF-UHFFFAOYSA-N 1 0 364.243 2.504 20 10 FFCDRO CC[NH+](CC)CCN1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140921895 1036455518 /nfs/dbraw/zinc/45/55/18/1036455518.db2.gz VCLJSUXRTSKFSX-UHFFFAOYSA-N 1 0 352.954 2.865 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC3(CC(N(C)C)=NO3)CC2)c1O ZINC001233288979 1036495150 /nfs/dbraw/zinc/49/51/50/1036495150.db2.gz FSLMXECWFAJFKH-UHFFFAOYSA-N 1 0 353.850 2.684 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)n1 ZINC001233291004 1036495480 /nfs/dbraw/zinc/49/54/80/1036495480.db2.gz HCZUJDYKVHJDLR-CYBMUJFWSA-N 1 0 365.817 2.506 20 10 FFCDRO CC[N@H+](CCC[NH+](C)C)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233309222 1036515303 /nfs/dbraw/zinc/51/53/03/1036515303.db2.gz YAEJMXSOQLTLSB-UHFFFAOYSA-N 1 0 373.291 2.715 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)c(O)c1 ZINC001140950464 1036547831 /nfs/dbraw/zinc/54/78/31/1036547831.db2.gz URPIGZWLAUUTHH-NRFANRHFSA-N 1 0 368.481 2.539 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2c(C)nc(N(C)C)nc23)c(O)c1 ZINC001140950465 1036548573 /nfs/dbraw/zinc/54/85/73/1036548573.db2.gz URPIGZWLAUUTHH-OAQYLSRUSA-N 1 0 368.481 2.539 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455275 1036633304 /nfs/dbraw/zinc/63/33/04/1036633304.db2.gz DJPMYZFZAXDVDK-UHFFFAOYSA-N 1 0 374.403 2.918 20 10 FFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)n1 ZINC001233455492 1036634980 /nfs/dbraw/zinc/63/49/80/1036634980.db2.gz MURAHIVMDBHMFO-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233482855 1036651267 /nfs/dbraw/zinc/65/12/67/1036651267.db2.gz FDQJKJATEOKIIP-IBGZPJMESA-N 1 0 364.442 2.636 20 10 FFCDRO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(O)c(O)cc4O)C3)CC2=O)c1 ZINC001233484459 1036653430 /nfs/dbraw/zinc/65/34/30/1036653430.db2.gz LFIPRPCWLDTIEZ-NRFANRHFSA-N 1 0 368.433 2.741 20 10 FFCDRO CCCC(=O)c1cc(O)c(O)cc1OC1CC[NH+](CCCOC)CC1 ZINC001233496086 1036659970 /nfs/dbraw/zinc/65/99/70/1036659970.db2.gz PVTXNJAQNANQIK-UHFFFAOYSA-N 1 0 351.443 2.960 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233761671 1036750205 /nfs/dbraw/zinc/75/02/05/1036750205.db2.gz XJGLDTADVHNQSP-UHFFFAOYSA-N 1 0 360.332 2.707 20 10 FFCDRO CCc1ccc(CN2C[C@@]3(F)C(=O)N([C@@H](C)CC)C[C@@]3(F)C2)c(O)c1 ZINC001277825907 1036874592 /nfs/dbraw/zinc/87/45/92/1036874592.db2.gz GUVCYOTUZPLIJT-FASAQXTFSA-N 1 0 352.425 2.828 20 10 FFCDRO CN1CC2(CC1=O)CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141078367 1036928655 /nfs/dbraw/zinc/92/86/55/1036928655.db2.gz UNFRTGIRYXHHAK-UHFFFAOYSA-N 1 0 353.510 2.830 20 10 FFCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141078877 1036932571 /nfs/dbraw/zinc/93/25/71/1036932571.db2.gz MLFCELQVMIQSEO-NRFANRHFSA-N 1 0 357.542 2.928 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CC(N4C[C@@H](C)O[C@@H](C)C4)C3)c2c1 ZINC001234579545 1037098126 /nfs/dbraw/zinc/09/81/26/1037098126.db2.gz YGZSFXDDCPKIIC-GASCZTMLSA-N 1 0 356.466 2.847 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1037951629 /nfs/dbraw/zinc/95/16/29/1037951629.db2.gz CRSWIPHHOBJENI-DOTOQJQBSA-N 1 0 361.486 2.812 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1CN1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001236165074 1037958798 /nfs/dbraw/zinc/95/87/98/1037958798.db2.gz ICHNIUWLGJJLSZ-OAQYLSRUSA-N 1 0 368.477 2.660 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)cc1Cl ZINC001231866193 1037961358 /nfs/dbraw/zinc/96/13/58/1037961358.db2.gz DPJUICYQCDVZPY-IRXDYDNUSA-N 1 0 371.868 2.839 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cc1Cl ZINC001231870771 1037969145 /nfs/dbraw/zinc/96/91/45/1037969145.db2.gz SELNAXHVQNQBHX-GDBMZVCRSA-N 1 0 370.877 2.814 20 10 FFCDRO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(O)cc1Br ZINC001236745635 1038232139 /nfs/dbraw/zinc/23/21/39/1038232139.db2.gz DRRSFTRVOIOFFI-ZDUSSCGKSA-N 1 0 355.276 2.833 20 10 FFCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236749365 1038233800 /nfs/dbraw/zinc/23/38/00/1038233800.db2.gz CGMHMNQISYQJDX-OAHLLOKOSA-N 1 0 358.232 2.548 20 10 FFCDRO CC[N@H+](CCn1ccnc1)Cc1cc(OC)c(Br)cc1O ZINC001236749488 1038235253 /nfs/dbraw/zinc/23/52/53/1038235253.db2.gz CQKLTUNFBNKOJI-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1OC ZINC001236749562 1038236417 /nfs/dbraw/zinc/23/64/17/1038236417.db2.gz KAUYJIBJTXNESG-GJZGRUSLSA-N 1 0 367.339 2.637 20 10 FFCDRO COc1cccc(OC)c1CN1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001255926173 1038254531 /nfs/dbraw/zinc/25/45/31/1038254531.db2.gz FKCNTFKZNNGTNY-UHFFFAOYSA-N 1 0 372.465 2.869 20 10 FFCDRO Oc1cc(CN2CCC([NH+]3CCCC3)CC2)c(O)cc1Br ZINC001236771912 1038254983 /nfs/dbraw/zinc/25/49/83/1038254983.db2.gz IAPZOKXENUEUAX-UHFFFAOYSA-N 1 0 355.276 2.921 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c(O)c1 ZINC001236787168 1038269628 /nfs/dbraw/zinc/26/96/28/1038269628.db2.gz JNVYNSZCHUXEFA-UYAOXDASSA-N 1 0 354.498 2.642 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c(O)c1 ZINC001236788991 1038271336 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Oc1cc(OCC(F)(F)F)ccc1CN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236983640 1038398658 /nfs/dbraw/zinc/39/86/58/1038398658.db2.gz VXEOMXZEWPYNLB-LBPRGKRZSA-N 1 0 358.282 2.669 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(O)c1 ZINC001237039772 1038416689 /nfs/dbraw/zinc/41/66/89/1038416689.db2.gz BKAZUHAIQPUCMO-SJORKVTESA-N 1 0 373.478 2.736 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c(O)c1 ZINC001237042592 1038418832 /nfs/dbraw/zinc/41/88/32/1038418832.db2.gz JBCMVFMOMYFYTD-HZPDHXFCSA-N 1 0 359.495 2.811 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c(O)c1 ZINC001237048215 1038422232 /nfs/dbraw/zinc/42/22/32/1038422232.db2.gz RJTSTVJFEPUYDP-INIZCTEOSA-N 1 0 359.426 2.551 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c(O)c1 ZINC001237047423 1038422479 /nfs/dbraw/zinc/42/24/79/1038422479.db2.gz XHZBQGPASHCRSN-UHFFFAOYSA-N 1 0 370.449 2.933 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(O)c1 ZINC001237050892 1038423889 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2.509 20 10 FFCDRO CCOC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1 ZINC001257141724 1038721709 /nfs/dbraw/zinc/72/17/09/1038721709.db2.gz GDTOBDJOEDPVMM-DJJJIMSYSA-N 1 0 359.422 2.529 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@@H](C)Cc3cccnc3)CC2)cc1 ZINC001258633017 1039465082 /nfs/dbraw/zinc/46/50/82/1039465082.db2.gz FILSRTZOQKTXRW-SFHVURJKSA-N 1 0 355.482 2.860 20 10 FFCDRO [O-]c1c(F)ccc(F)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278686314 1039771526 /nfs/dbraw/zinc/77/15/26/1039771526.db2.gz CYSXDHXXQBMVQG-UHFFFAOYSA-N 1 0 362.424 2.882 20 10 FFCDRO COc1cc(I)cc(C[N@@H+]2CCC3(CC3)C2)c1O ZINC001248391678 1040253728 /nfs/dbraw/zinc/25/37/28/1040253728.db2.gz XEQNYGWCUBNQOG-UHFFFAOYSA-N 1 0 359.207 2.991 20 10 FFCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001249252901 1040653884 /nfs/dbraw/zinc/65/38/84/1040653884.db2.gz ZRNIRALHWXOUAC-INIZCTEOSA-N 1 0 373.449 2.588 20 10 FFCDRO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001276704292 1040797839 /nfs/dbraw/zinc/79/78/39/1040797839.db2.gz CTPATDYBCMJSQC-DZGCQCFKSA-N 1 0 362.470 2.623 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001249726779 1040966559 /nfs/dbraw/zinc/96/65/59/1040966559.db2.gz UYBPBMQWLUJNCU-GASCZTMLSA-N 1 0 351.443 2.724 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC)c(O)c1 ZINC001249735611 1040968585 /nfs/dbraw/zinc/96/85/85/1040968585.db2.gz SDMRGAAILIWAQZ-INIZCTEOSA-N 1 0 351.443 2.725 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001249743328 1040972567 /nfs/dbraw/zinc/97/25/67/1040972567.db2.gz KKCNWZOCJWSYQP-UHFFFAOYSA-N 1 0 351.468 2.663 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c(O)cc1O ZINC001276706245 1041032955 /nfs/dbraw/zinc/03/29/55/1041032955.db2.gz ZWDGIUPWAXHAGI-FQEVSTJZSA-N 1 0 360.454 2.640 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)cc2F)CC1 ZINC001261206337 1041065562 /nfs/dbraw/zinc/06/55/62/1041065562.db2.gz KSEKNNBAPIYZQF-VQTJNVASSA-N 1 0 361.505 2.967 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CC(=O)CO3)CC2)c(O)cc1Br ZINC001250120737 1041120715 /nfs/dbraw/zinc/12/07/15/1041120715.db2.gz OTGLVNJNMOOBPC-UHFFFAOYSA-N 1 0 354.244 2.787 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)cc1Br ZINC001250133135 1041123938 /nfs/dbraw/zinc/12/39/38/1041123938.db2.gz JHCFNHVMUHMPRK-UHFFFAOYSA-N 1 0 367.287 2.907 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)cc1Br ZINC001250132710 1041124072 /nfs/dbraw/zinc/12/40/72/1041124072.db2.gz DJZZZSQZWWRORL-UHFFFAOYSA-N 1 0 354.244 2.992 20 10 FFCDRO Cc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)cc1Br ZINC001250129096 1041124400 /nfs/dbraw/zinc/12/44/00/1041124400.db2.gz XGYICPOWFSHHDF-UHFFFAOYSA-N 1 0 367.287 2.954 20 10 FFCDRO Cc1cc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(O)cc1Br ZINC001250135922 1041125696 /nfs/dbraw/zinc/12/56/96/1041125696.db2.gz KKPSSGHZVDPSCY-UHFFFAOYSA-N 1 0 370.291 2.699 20 10 FFCDRO Cc1noc(-c2ccc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2)n1 ZINC001261459901 1041250876 /nfs/dbraw/zinc/25/08/76/1041250876.db2.gz GROCJRRONFRRAA-GOSISDBHSA-N 1 0 365.437 2.541 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)CCC2 ZINC001250672498 1041292526 /nfs/dbraw/zinc/29/25/26/1041292526.db2.gz XWNQOWAQPMVOSG-INIZCTEOSA-N 1 0 363.841 2.939 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1cccc(F)c1 ZINC001250800160 1041371167 /nfs/dbraw/zinc/37/11/67/1041371167.db2.gz BZXIHPNZFNRTSC-HXUWFJFHSA-N 1 0 374.456 2.534 20 10 FFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001278605735 1041393108 /nfs/dbraw/zinc/39/31/08/1041393108.db2.gz IUCYWSSSSAZEAC-HXUWFJFHSA-N 1 0 367.484 2.910 20 10 FFCDRO COc1ncc(C)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001215667713 1041855834 /nfs/dbraw/zinc/85/58/34/1041855834.db2.gz VIVTXAVCRHCKGH-SFHVURJKSA-N 1 0 371.485 2.889 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)cc1 ZINC001279149191 1042920095 /nfs/dbraw/zinc/92/00/95/1042920095.db2.gz ANOLTRYGIPWQJD-PZJWPPBQSA-N 1 0 353.514 2.962 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1 ZINC001279149591 1042920526 /nfs/dbraw/zinc/92/05/26/1042920526.db2.gz HIEGJUNHDTWOSM-BGYRXZFFSA-N 1 0 353.514 2.818 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c1O ZINC001279311440 1042995018 /nfs/dbraw/zinc/99/50/18/1042995018.db2.gz BEADABCNHNJQOJ-CALCHBBNSA-N 1 0 372.490 2.886 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)c1O ZINC001279313562 1042996445 /nfs/dbraw/zinc/99/64/45/1042996445.db2.gz MPOLZVMBFDGOCC-DOTOQJQBSA-N 1 0 372.490 2.743 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Nc2cccnc2)c(O)c1 ZINC001279338632 1043011500 /nfs/dbraw/zinc/01/15/00/1043011500.db2.gz NTDWKZPYPQJTCH-HDICACEKSA-N 1 0 352.438 2.976 20 10 FFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)C1 ZINC001279361841 1043028475 /nfs/dbraw/zinc/02/84/75/1043028475.db2.gz IERGXVGEIPJJNR-QFIPXVFZSA-N 1 0 355.526 2.682 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237415061 1043149292 /nfs/dbraw/zinc/14/92/92/1043149292.db2.gz MTDOALQOCSKANJ-RISCZKNCSA-N 1 0 372.250 2.571 20 10 FFCDRO CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001279488223 1043173393 /nfs/dbraw/zinc/17/33/93/1043173393.db2.gz GONICTQGSWLHOD-UHFFFAOYSA-N 1 0 353.457 2.520 20 10 FFCDRO COC(=O)Cc1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001237475296 1043188704 /nfs/dbraw/zinc/18/87/04/1043188704.db2.gz CBDCNZNJMZFUAJ-UHFFFAOYSA-N 1 0 368.477 2.871 20 10 FFCDRO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001279504848 1043198181 /nfs/dbraw/zinc/19/81/81/1043198181.db2.gz KROXSVRGEKJGLI-GASCZTMLSA-N 1 0 357.420 2.621 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001237486814 1043200410 /nfs/dbraw/zinc/20/04/10/1043200410.db2.gz CMKXNGRALDBVHP-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO COc1cc(C(=O)N2CCCC3(C[NH+](C4CCCC4)C3)C2)cc(O)c1O ZINC001279506732 1043201759 /nfs/dbraw/zinc/20/17/59/1043201759.db2.gz NZXJOKCSJIYHII-UHFFFAOYSA-N 1 0 360.454 2.587 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001237490595 1043204861 /nfs/dbraw/zinc/20/48/61/1043204861.db2.gz XALPUZWIAKNUTA-OAQYLSRUSA-N 1 0 370.449 2.801 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c(O)c(OC)c1 ZINC001237673552 1043303633 /nfs/dbraw/zinc/30/36/33/1043303633.db2.gz QZFBNQCHIRJVDI-NRFANRHFSA-N 1 0 374.481 2.634 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(O)c(OC)c1 ZINC001237674087 1043303777 /nfs/dbraw/zinc/30/37/77/1043303777.db2.gz ODWAZLBGEBOCAL-FQEVSTJZSA-N 1 0 362.470 2.632 20 10 FFCDRO COCCC[NH+]1CCN(Cc2cc(Br)c(C)cc2O)CC1 ZINC001237682202 1043309670 /nfs/dbraw/zinc/30/96/70/1043309670.db2.gz NRWIGSUNDUYDPX-UHFFFAOYSA-N 1 0 357.292 2.617 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(n3cnnc3)CC2)cc1Br ZINC001237682888 1043309896 /nfs/dbraw/zinc/30/98/96/1043309896.db2.gz UKUZDQVTKMAXIS-UHFFFAOYSA-N 1 0 351.248 2.892 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)N(C)C)CC2)cc1Br ZINC001237684498 1043311694 /nfs/dbraw/zinc/31/16/94/1043311694.db2.gz LPRNXJHYLAJUTJ-UHFFFAOYSA-N 1 0 370.291 2.699 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cc(C)nn2C)c(O)c1 ZINC001279663719 1043425063 /nfs/dbraw/zinc/42/50/63/1043425063.db2.gz BXYVTMIBUBTOMK-PMACEKPBSA-N 1 0 354.498 2.845 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)c(O)c1 ZINC001279663882 1043425555 /nfs/dbraw/zinc/42/55/55/1043425555.db2.gz JKDVYQJARWUNNY-OALUTQOASA-N 1 0 353.466 2.904 20 10 FFCDRO COc1cc(C)c(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)c(O)c1 ZINC001279668340 1043435444 /nfs/dbraw/zinc/43/54/44/1043435444.db2.gz XWABYNYHYGANNB-UHFFFAOYSA-N 1 0 372.490 2.658 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC3(CN(CC(=O)N(C)C)C3)CC2)c(O)c1 ZINC001279673364 1043443575 /nfs/dbraw/zinc/44/35/75/1043443575.db2.gz KWLIXGLKJHNNOL-UHFFFAOYSA-N 1 0 359.514 2.502 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)c1O ZINC000722503750 1043443865 /nfs/dbraw/zinc/44/38/65/1043443865.db2.gz ZDSUYEOYNYJWJY-LBPRGKRZSA-N 1 0 358.822 2.695 20 10 FFCDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000756041158 1043486084 /nfs/dbraw/zinc/48/60/84/1043486084.db2.gz JWQPANLZDLVXNV-UHFFFAOYSA-N 1 0 362.474 2.837 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001279697670 1043488758 /nfs/dbraw/zinc/48/87/58/1043488758.db2.gz QOZTVQXUZPNCOW-IBGZPJMESA-N 1 0 353.457 2.520 20 10 FFCDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000756048793 1043490554 /nfs/dbraw/zinc/49/05/54/1043490554.db2.gz ATXVHQNLLKWMQT-INIZCTEOSA-N 1 0 362.474 2.835 20 10 FFCDRO O=C(NCC(F)F)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001279727791 1043539658 /nfs/dbraw/zinc/53/96/58/1043539658.db2.gz NVOKSPXCVFTMML-AWEZNQCLSA-N 1 0 368.424 2.861 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)ccc1N(C)C ZINC001279735154 1043554625 /nfs/dbraw/zinc/55/46/25/1043554625.db2.gz KAUXDSVLYWRDCX-HGKCTWBKSA-N 1 0 365.468 2.900 20 10 FFCDRO CCc1cnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001310345288 1043672576 /nfs/dbraw/zinc/67/25/76/1043672576.db2.gz FFYKWAKJUQTBJZ-UHFFFAOYSA-N 1 0 359.499 2.779 20 10 FFCDRO CO[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238483060 1043738793 /nfs/dbraw/zinc/73/87/93/1043738793.db2.gz OTRZPMHURDWLFY-CQOSDQHZSA-N 1 0 374.466 2.757 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)CC2)cc1 ZINC001311826669 1043986564 /nfs/dbraw/zinc/98/65/64/1043986564.db2.gz GOHPVGZCDAGCQC-HXUWFJFHSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)NCC(F)F)C2)c(O)c1 ZINC001279980388 1044027446 /nfs/dbraw/zinc/02/74/46/1044027446.db2.gz LOENVGRAFWNBBW-DNVCBOLYSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CCC(F)CC2)c(O)c1 ZINC001279980386 1044027943 /nfs/dbraw/zinc/02/79/43/1044027943.db2.gz LNUNBPSCMOPWFS-ZYJFZYNKSA-N 1 0 362.445 2.762 20 10 FFCDRO CC(C)(C)NC(=O)[C@H]1COCCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001279981479 1044029832 /nfs/dbraw/zinc/02/98/32/1044029832.db2.gz AZWGNDCYCKFYIT-OAHLLOKOSA-N 1 0 366.889 2.799 20 10 FFCDRO O=C(NCc1c[nH]cn1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279983172 1044034234 /nfs/dbraw/zinc/03/42/34/1044034234.db2.gz FTHSPFLFZYLXDG-ZXYKHMISSA-N 1 0 374.872 2.589 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)NCC(F)F)C2)c1 ZINC001279984854 1044037967 /nfs/dbraw/zinc/03/79/67/1044037967.db2.gz RNQHPPYKEWAGEQ-HNAYVOBHSA-N 1 0 368.424 2.774 20 10 FFCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(F)cc(C)c2O)C3)n(C)n1 ZINC001280027780 1044102191 /nfs/dbraw/zinc/10/21/91/1044102191.db2.gz JPWIRHKWSSBWLY-BEFAXECRSA-N 1 0 358.461 2.588 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)Nc3nnco3)C2)c(O)c1 ZINC001280047230 1044136257 /nfs/dbraw/zinc/13/62/57/1044136257.db2.gz BUQDIIUSLFDFAE-KXBFYZLASA-N 1 0 356.426 2.715 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001312885104 1044186848 /nfs/dbraw/zinc/18/68/48/1044186848.db2.gz OPELIMLWTPQDIE-MFHCWRBVSA-N 1 0 358.530 2.631 20 10 FFCDRO O=C(NCC(F)F)[C@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292746 1044558961 /nfs/dbraw/zinc/55/89/61/1044558961.db2.gz NDDVBWBYZGYADU-RDTXWAMCSA-N 1 0 356.388 2.905 20 10 FFCDRO CN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC001280313561 1044590140 /nfs/dbraw/zinc/59/01/40/1044590140.db2.gz ZJPAQTYXHREKLU-LZJQFABFSA-N 1 0 367.287 2.747 20 10 FFCDRO CN(C(=O)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2)C1CC(F)(F)C1 ZINC001280318610 1044598125 /nfs/dbraw/zinc/59/81/25/1044598125.db2.gz OFOPZQWELHLTFY-UHFFFAOYSA-N 1 0 362.420 2.890 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001539301185 1070608640 /nfs/dbraw/zinc/60/86/40/1070608640.db2.gz AIBBCVJFROIIAS-UYAOXDASSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC001318198823 1045239794 /nfs/dbraw/zinc/23/97/94/1045239794.db2.gz XAJRKNPVGMPOLA-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1O ZINC001319825943 1045280496 /nfs/dbraw/zinc/28/04/96/1045280496.db2.gz HBYRDEYWIYSARR-GFCCVEGCSA-N 1 0 367.287 2.954 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3N(C)CCCC3(C)C)cc2F)CC1 ZINC001320990809 1045508108 /nfs/dbraw/zinc/50/81/08/1045508108.db2.gz LWQSBFILZQKJKI-FQEVSTJZSA-N 1 0 362.537 2.788 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001323828438 1045741323 /nfs/dbraw/zinc/74/13/23/1045741323.db2.gz AVZFRHXXSRSLTJ-BRWVUGGUSA-N 1 0 359.514 2.781 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000730806034 1047203317 /nfs/dbraw/zinc/20/33/17/1047203317.db2.gz GQQIINVZYWIHJH-IOBAAEILSA-N 1 0 359.426 2.846 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2Cc3cc(F)ccc3O2)[NH+](C)C)cc1 ZINC001289600906 1047708101 /nfs/dbraw/zinc/70/81/01/1047708101.db2.gz UTLPNVAQVRRHGN-AZUAARDMSA-N 1 0 371.456 2.614 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3NCCc4ccccc43)cc2F)CC1 ZINC001327416512 1047886323 /nfs/dbraw/zinc/88/63/23/1047886323.db2.gz TZZBTGCKNXNKRR-NRFANRHFSA-N 1 0 368.500 2.554 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1F ZINC001331517730 1047981562 /nfs/dbraw/zinc/98/15/62/1047981562.db2.gz FKXICYLVXBCFQV-ACJLOTCBSA-N 1 0 354.441 2.688 20 10 FFCDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328086414 1048171202 /nfs/dbraw/zinc/17/12/02/1048171202.db2.gz SDVBVVKEEJTOSJ-JTSKRJEESA-N 1 0 371.500 2.832 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(Br)cc1O)CC1CCOCC1 ZINC001328759480 1048453874 /nfs/dbraw/zinc/45/38/74/1048453874.db2.gz WHZQVMHYMRIRKS-CYBMUJFWSA-N 1 0 358.276 2.670 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001292594164 1049366404 /nfs/dbraw/zinc/36/64/04/1049366404.db2.gz PRJZJSLBJVDGTC-QFBILLFUSA-N 1 0 359.514 2.901 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000742411016 1049889890 /nfs/dbraw/zinc/88/98/90/1049889890.db2.gz HUZNJDZFIDTHGK-SBYGYFDASA-N 1 0 361.442 2.948 20 10 FFCDRO C[C@H](NC(=O)c1ccc(CC[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC001341677347 1050298829 /nfs/dbraw/zinc/29/88/29/1050298829.db2.gz LYOKPOLBIDDBGP-INIZCTEOSA-N 1 0 353.466 2.515 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001341826217 1050438240 /nfs/dbraw/zinc/43/82/40/1050438240.db2.gz WSSXKHKNMHHLIH-UHFFFAOYSA-N 1 0 367.497 2.924 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N(C)C3(C[NH3+])CCOCC3)c2C)cc1 ZINC001341332728 1051687451 /nfs/dbraw/zinc/68/74/51/1051687451.db2.gz MWKPZRDWAQWRPL-UHFFFAOYSA-N 1 0 371.481 2.683 20 10 FFCDRO Cc1c(F)ccc(N)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001304769329 1051689818 /nfs/dbraw/zinc/68/98/18/1051689818.db2.gz VCYUNEHUIIDUAY-SFHVURJKSA-N 1 0 358.461 2.815 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC001308008905 1052382552 /nfs/dbraw/zinc/38/25/52/1052382552.db2.gz KDFIFANJPZVKDZ-GOSISDBHSA-N 1 0 365.518 2.802 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[N@H+](C)C(C)C)CCCC1 ZINC001542947341 1071345141 /nfs/dbraw/zinc/34/51/41/1071345141.db2.gz CMCQHVOOKHFWMB-UHFFFAOYSA-N 1 0 357.498 2.985 20 10 FFCDRO [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001335933431 1053652382 /nfs/dbraw/zinc/65/23/82/1053652382.db2.gz HULKOHZIIKPSCI-HZPDHXFCSA-N 1 0 370.419 2.708 20 10 FFCDRO Nc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC001336285379 1053898420 /nfs/dbraw/zinc/89/84/20/1053898420.db2.gz LTPNGTGCAWVBDN-UHFFFAOYSA-N 1 0 357.405 2.851 20 10 FFCDRO COc1ccc(C[NH2+]CCc2nc(C(C)C)no2)cc1Cn1cccn1 ZINC001336721210 1054164524 /nfs/dbraw/zinc/16/45/24/1054164524.db2.gz LVOROPHPNHVIFT-UHFFFAOYSA-N 1 0 355.442 2.779 20 10 FFCDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001337007181 1054406855 /nfs/dbraw/zinc/40/68/55/1054406855.db2.gz LVGKUWMVEXTBMP-QGTPRVQTSA-N 1 0 370.522 2.823 20 10 FFCDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2c(O)cccc2F)c1 ZINC001338371996 1055456622 /nfs/dbraw/zinc/45/66/22/1055456622.db2.gz IXWSYWREOSPNCN-UHFFFAOYSA-N 1 0 373.428 2.628 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(C)CC=CC3)cc2F)CC1 ZINC000847311576 1055458361 /nfs/dbraw/zinc/45/83/61/1055458361.db2.gz YXJSOSGYIXVONZ-UHFFFAOYSA-N 1 0 360.477 2.876 20 10 FFCDRO Fc1cc(CNc2cnn(-c3cc[nH+]cc3)c2)ccc1N1CCOCC1 ZINC001200058099 1055547981 /nfs/dbraw/zinc/54/79/81/1055547981.db2.gz TYKHAZGKWAKWRC-UHFFFAOYSA-N 1 0 353.401 2.855 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC001350154372 1055651317 /nfs/dbraw/zinc/65/13/17/1055651317.db2.gz KBBRSKYXUZWSPQ-QWRGUYRKSA-N 1 0 351.390 2.816 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3Cc4ccccc4O3)cc2F)CC1 ZINC001200161963 1055908543 /nfs/dbraw/zinc/90/85/43/1055908543.db2.gz UMOMTRJOGOSHRE-GOSISDBHSA-N 1 0 355.457 2.671 20 10 FFCDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC001351351900 1056214147 /nfs/dbraw/zinc/21/41/47/1056214147.db2.gz LDTHGQOTSJBXIX-OAHLLOKOSA-N 1 0 359.445 2.959 20 10 FFCDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC001358396897 1056292267 /nfs/dbraw/zinc/29/22/67/1056292267.db2.gz WESHCUUOUXHUKB-UHFFFAOYSA-N 1 0 359.445 2.813 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001353393675 1056361266 /nfs/dbraw/zinc/36/12/66/1056361266.db2.gz UHYVVJCLQFFETP-QFBILLFUSA-N 1 0 352.482 2.979 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](CCO)c3ccccc3)cc2F)CC1 ZINC001339414624 1056429442 /nfs/dbraw/zinc/42/94/42/1056429442.db2.gz OSTAKKXYJAOVPG-HXUWFJFHSA-N 1 0 357.473 2.791 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000849349296 1056836229 /nfs/dbraw/zinc/83/62/29/1056836229.db2.gz ZIJLMHCVZLRVTI-HOTGVXAUSA-N 1 0 361.486 2.873 20 10 FFCDRO Oc1ccc(Br)cc1CNC(=S)NCC[NH+]1CCCCC1 ZINC001200439455 1058181000 /nfs/dbraw/zinc/18/10/00/1058181000.db2.gz BAVONWIBFXYZCY-UHFFFAOYSA-N 1 0 372.332 2.605 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001519510751 1058794388 /nfs/dbraw/zinc/79/43/88/1058794388.db2.gz TVEKJRVYQYBAEK-TZMCWYRMSA-N 1 0 359.499 2.702 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001507099581 1059600519 /nfs/dbraw/zinc/60/05/19/1059600519.db2.gz DTCTZDOZOGYVFR-TXJVSEOTSA-N 1 0 360.498 2.755 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)N(C)C)[NH+](C)C)cc1 ZINC001456927143 1060229546 /nfs/dbraw/zinc/22/95/46/1060229546.db2.gz ALHWDBKMCTZFMN-RTWAWAEBSA-N 1 0 368.525 2.774 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccnn2C)NC(=O)OC(C)(C)C)cc1 ZINC001461398054 1061309532 /nfs/dbraw/zinc/30/95/32/1061309532.db2.gz CDEGNSAESZQSOK-GOSISDBHSA-N 1 0 373.501 2.842 20 10 FFCDRO CO[C@@]1(C)CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001479532495 1062502345 /nfs/dbraw/zinc/50/23/45/1062502345.db2.gz DAQSTRIQRQSSRI-ICSRJNTNSA-N 1 0 362.518 2.566 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)c(C)n3)cc2F)CC1 ZINC001530375701 1062553379 /nfs/dbraw/zinc/55/33/79/1062553379.db2.gz AWIMWTMKQDQZNM-UHFFFAOYSA-N 1 0 370.472 2.909 20 10 FFCDRO CCOc1nc(C)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439962839 1063240694 /nfs/dbraw/zinc/24/06/94/1063240694.db2.gz XSUZKQJKSHSAQB-LJQANCHMSA-N 1 0 370.497 2.887 20 10 FFCDRO CSc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001439958995 1063241372 /nfs/dbraw/zinc/24/13/72/1063241372.db2.gz AVCXGLZWIYCOLC-QGZVFWFLSA-N 1 0 358.511 2.902 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC001439960506 1063242142 /nfs/dbraw/zinc/24/21/42/1063242142.db2.gz MAOQMJMVLQODLF-SFHVURJKSA-N 1 0 374.416 2.833 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC001533683886 1063373824 /nfs/dbraw/zinc/37/38/24/1063373824.db2.gz LZGZDKFWMXHFOP-INIZCTEOSA-N 1 0 355.457 2.997 20 10 FFCDRO COc1ccccc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001467704520 1063825355 /nfs/dbraw/zinc/82/53/55/1063825355.db2.gz ONNOJXNVRMGATB-LJQANCHMSA-N 1 0 370.497 2.863 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC001468729380 1064028416 /nfs/dbraw/zinc/02/84/16/1064028416.db2.gz XNFRQGNQWRAYIZ-SJLPKXTDSA-N 1 0 362.493 2.908 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c[nH]nc2C(C)(C)C)[NH+](C)C)cc1 ZINC001472281188 1064998008 /nfs/dbraw/zinc/99/80/08/1064998008.db2.gz RURGWRZXDGVFEA-KRWDZBQOSA-N 1 0 357.502 2.806 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C ZINC001474019579 1065439892 /nfs/dbraw/zinc/43/98/92/1065439892.db2.gz DQLNEPJZDBIPOO-LEWJYISDSA-N 1 0 354.494 2.976 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(O)c1 ZINC001474593868 1065557454 /nfs/dbraw/zinc/55/74/54/1065557454.db2.gz AVFRNVPSVHQPER-QGZVFWFLSA-N 1 0 354.450 2.848 20 10 FFCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001578943073 1078551863 /nfs/dbraw/zinc/55/18/63/1078551863.db2.gz MQCCUNFFOAFNTR-FPOVZHCZSA-N 1 0 355.482 2.786 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1[NH2+]CC[C@H]1C ZINC001579903257 1078711089 /nfs/dbraw/zinc/71/10/89/1078711089.db2.gz PRYRSHCVOSLLSX-OXQOHEQNSA-N 1 0 368.529 2.821 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2cccc(O)c2)[NH+](C)C)cc1 ZINC001558723674 1076063181 /nfs/dbraw/zinc/06/31/81/1076063181.db2.gz UKXGZSMKBRLFEH-LOJRPPCJSA-N 1 0 353.466 2.891 20 10 FFCDRO CCOC(=O)CN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1O ZINC001559930536 1076203279 /nfs/dbraw/zinc/20/32/79/1076203279.db2.gz XXMVBDFOMQVUEO-UHFFFAOYSA-N 1 0 356.466 2.889 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc1F ZINC001560415187 1076271791 /nfs/dbraw/zinc/27/17/91/1076271791.db2.gz BYWKJOMSZYBKSN-MRXNPFEDSA-N 1 0 352.450 2.684 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001560831057 1076302612 /nfs/dbraw/zinc/30/26/12/1076302612.db2.gz LDDAQJHTIRSQAD-CYBMUJFWSA-N 1 0 372.412 2.786 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1O ZINC001560992743 1076317064 /nfs/dbraw/zinc/31/70/64/1076317064.db2.gz OFUYHJXAVJBNLG-QGZVFWFLSA-N 1 0 368.433 2.927 20 10 FFCDRO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c(O)c1O ZINC001568942393 1077120017 /nfs/dbraw/zinc/12/00/17/1077120017.db2.gz QRVHJNNIERQBGF-UHFFFAOYSA-N 1 0 363.417 2.917 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001587459976 1079795579 /nfs/dbraw/zinc/79/55/79/1079795579.db2.gz MUVVBZMRMBLVKK-LJQANCHMSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccccc1 ZINC000366627137 512114148 /nfs/dbraw/zinc/11/41/48/512114148.db2.gz LUUMNNFGTPITPT-CQSZACIVSA-N 1 0 354.406 2.606 20 10 FFCDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000008150958 506627125 /nfs/dbraw/zinc/62/71/25/506627125.db2.gz JCUWSYSLRGRENU-CYBMUJFWSA-N 1 0 352.394 2.895 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000090231866 507915991 /nfs/dbraw/zinc/91/59/91/507915991.db2.gz KUHNTIUXYSTPPH-LJQANCHMSA-N 1 0 365.543 2.750 20 10 FFCDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000073821983 507959808 /nfs/dbraw/zinc/95/98/08/507959808.db2.gz FDEAOXVPDHTEDZ-LJQANCHMSA-N 1 0 374.529 2.539 20 10 FFCDRO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000109770610 507986722 /nfs/dbraw/zinc/98/67/22/507986722.db2.gz GJPZXFVEWIAPNE-UHFFFAOYSA-N 1 0 369.465 2.689 20 10 FFCDRO CCN(CC)c1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)cc1F ZINC000092896906 508107195 /nfs/dbraw/zinc/10/71/95/508107195.db2.gz WEQMWTMFEXYRPS-UHFFFAOYSA-N 1 0 355.421 2.842 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)noc3C)cc2F)CC1 ZINC000106702763 508403758 /nfs/dbraw/zinc/40/37/58/508403758.db2.gz KXVIGTWQPXSKDZ-UHFFFAOYSA-N 1 0 360.433 2.502 20 10 FFCDRO COc1cccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1O ZINC000121804722 508422590 /nfs/dbraw/zinc/42/25/90/508422590.db2.gz BXKZUBLSDWTWKX-UHFFFAOYSA-N 1 0 353.422 2.881 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC[C@@H]21 ZINC000118952308 508694073 /nfs/dbraw/zinc/69/40/73/508694073.db2.gz LCWVAEDCBVCAMK-QUCCMNQESA-N 1 0 354.498 2.689 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000154109024 508719048 /nfs/dbraw/zinc/71/90/48/508719048.db2.gz GJHCZMBBDGRCDL-QGZVFWFLSA-N 1 0 374.506 2.648 20 10 FFCDRO FC(F)(F)CN1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000129460116 508729548 /nfs/dbraw/zinc/72/95/48/508729548.db2.gz CXXLDSITULYVHT-UHFFFAOYSA-N 1 0 357.420 2.593 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1ccc(N(C)C)cc1 ZINC000133185489 509129033 /nfs/dbraw/zinc/12/90/33/509129033.db2.gz XHBYATXLPLOVLQ-GOSISDBHSA-N 1 0 353.532 2.607 20 10 FFCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000182374785 509201208 /nfs/dbraw/zinc/20/12/08/509201208.db2.gz MCNLWSVQQAOINQ-QUCCMNQESA-N 1 0 356.514 2.913 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000247981012 509208947 /nfs/dbraw/zinc/20/89/47/509208947.db2.gz HNOAIMFHDRMWRG-IEBWSBKVSA-N 1 0 355.438 2.645 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)c1 ZINC000182394395 509213331 /nfs/dbraw/zinc/21/33/31/509213331.db2.gz SGWZNURPPSHJQR-CZUORRHYSA-N 1 0 356.422 2.866 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000179056590 509242421 /nfs/dbraw/zinc/24/24/21/509242421.db2.gz SPXPQTZSJLNSNM-QGZVFWFLSA-N 1 0 354.450 2.929 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000185578095 509247159 /nfs/dbraw/zinc/24/71/59/509247159.db2.gz NENVJNZNEFAEKB-CQSZACIVSA-N 1 0 354.450 2.986 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)ccc1O ZINC000189162848 509443949 /nfs/dbraw/zinc/44/39/49/509443949.db2.gz UWYFKEDJIFHETP-GFCCVEGCSA-N 1 0 369.870 2.662 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176363741 509467044 /nfs/dbraw/zinc/46/70/44/509467044.db2.gz RFYRCESIQJUEDN-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO COc1cc(CN2CC[NH+](Cc3ccccc3O)CC2)cc(OC)c1OC ZINC000179581840 509524594 /nfs/dbraw/zinc/52/45/94/509524594.db2.gz RDEDAHCHPHHFDI-UHFFFAOYSA-N 1 0 372.465 2.736 20 10 FFCDRO COc1cc(NC(=O)CC[N@H+](C)Cc2ccccc2O)cc(OC)c1OC ZINC000264642256 509620160 /nfs/dbraw/zinc/62/01/60/509620160.db2.gz YCCCIZACTTVCTB-UHFFFAOYSA-N 1 0 374.437 2.879 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179820849 509636457 /nfs/dbraw/zinc/63/64/57/509636457.db2.gz WUESOAFGDUYVRB-UHFFFAOYSA-N 1 0 354.878 2.719 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(Cc3cccc(F)c3)CC1)OCO2 ZINC000186593644 509791321 /nfs/dbraw/zinc/79/13/21/509791321.db2.gz NEJKJPCRUSVIGL-UHFFFAOYSA-N 1 0 359.397 2.830 20 10 FFCDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000264956938 509796231 /nfs/dbraw/zinc/79/62/31/509796231.db2.gz MWTKDONBHWGEDM-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180417584 509917627 /nfs/dbraw/zinc/91/76/27/509917627.db2.gz MBWTWSQOWCLEDW-AWEZNQCLSA-N 1 0 356.426 2.628 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000177522832 510112017 /nfs/dbraw/zinc/11/20/17/510112017.db2.gz MQSYTWVRQWZMOF-CSXIPAGWSA-N 1 0 357.498 2.525 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000174520174 510156879 /nfs/dbraw/zinc/15/68/79/510156879.db2.gz VIUAUGPVXUKMCK-UHFFFAOYSA-N 1 0 356.422 2.696 20 10 FFCDRO CC[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180901122 510172381 /nfs/dbraw/zinc/17/23/81/510172381.db2.gz ICOOZJOGISHNDM-CSKARUKUSA-N 1 0 367.449 2.892 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1O ZINC000187386302 510235888 /nfs/dbraw/zinc/23/58/88/510235888.db2.gz HDCODJNVHXFLAK-GFCCVEGCSA-N 1 0 358.276 2.903 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000194179511 510251286 /nfs/dbraw/zinc/25/12/86/510251286.db2.gz MOXOTQDIFSOCKQ-KRWDZBQOSA-N 1 0 369.465 2.722 20 10 FFCDRO C[NH+](C)CCCOc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000181039256 510252261 /nfs/dbraw/zinc/25/22/61/510252261.db2.gz CKJGNEMGSCSWSN-YRNVUSSQSA-N 1 0 370.449 2.758 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000269260729 510312782 /nfs/dbraw/zinc/31/27/82/510312782.db2.gz VTRVLKRLYCZKEL-WTTBNOFXSA-N 1 0 363.477 2.573 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000184689391 510464307 /nfs/dbraw/zinc/46/43/07/510464307.db2.gz VHYDPWDOASEFGR-LBPRGKRZSA-N 1 0 362.861 2.972 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1 ZINC000185033286 510645143 /nfs/dbraw/zinc/64/51/43/510645143.db2.gz KNCQJATUVKXSPL-GJZGRUSLSA-N 1 0 357.454 2.872 20 10 FFCDRO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444752 510663770 /nfs/dbraw/zinc/66/37/70/510663770.db2.gz IABDLOBLLGRAAJ-BDJLRTHQSA-N 1 0 353.825 2.864 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1OC ZINC000182119491 510766535 /nfs/dbraw/zinc/76/65/35/510766535.db2.gz MCDQGDNWECYYBQ-QGZVFWFLSA-N 1 0 371.355 2.949 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000185340928 510813572 /nfs/dbraw/zinc/81/35/72/510813572.db2.gz CADLYAAAHBKDLW-FXAWDEMLSA-N 1 0 368.477 2.821 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000275327638 510871881 /nfs/dbraw/zinc/87/18/81/510871881.db2.gz MGVLOISSLKHFJD-IINYFYTJSA-N 1 0 354.248 2.581 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000285357903 510874699 /nfs/dbraw/zinc/87/46/99/510874699.db2.gz BIIDSLCVGKKWLN-VCSGRIEYSA-N 1 0 372.557 2.706 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1OC ZINC000294041515 510936788 /nfs/dbraw/zinc/93/67/88/510936788.db2.gz WJABLQSIVOTXDH-UHFFFAOYSA-N 1 0 357.450 2.936 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ccccc2NC1=O ZINC000276737178 510945048 /nfs/dbraw/zinc/94/50/48/510945048.db2.gz CMJWRUSKAQIKII-OAQYLSRUSA-N 1 0 365.477 2.909 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1F ZINC000276972626 510951070 /nfs/dbraw/zinc/95/10/70/510951070.db2.gz RQIJUEYQLDIRRR-UHFFFAOYSA-N 1 0 371.522 2.574 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000277049265 510953338 /nfs/dbraw/zinc/95/33/38/510953338.db2.gz NEWRCMMTOOWQDK-SFHVURJKSA-N 1 0 355.486 2.584 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000277590128 510967814 /nfs/dbraw/zinc/96/78/14/510967814.db2.gz UCNDIYRIPGZOPD-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000277996380 510977346 /nfs/dbraw/zinc/97/73/46/510977346.db2.gz XEJUQQSGVXZSID-UHFFFAOYSA-N 1 0 356.514 2.960 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278705587 511005083 /nfs/dbraw/zinc/00/50/83/511005083.db2.gz JUIKOCLVYPDJHZ-OAHLLOKOSA-N 1 0 357.420 2.985 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1F ZINC000278779847 511007184 /nfs/dbraw/zinc/00/71/84/511007184.db2.gz VNNNRNHNSLDETA-ROUUACIJSA-N 1 0 360.477 2.613 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Br)ccc1O ZINC000278819973 511007797 /nfs/dbraw/zinc/00/77/97/511007797.db2.gz XWDJJAOATGQAGT-CYBMUJFWSA-N 1 0 369.303 2.840 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000287180798 511044123 /nfs/dbraw/zinc/04/41/23/511044123.db2.gz VFKSPSUSWWMJAV-WDEREUQCSA-N 1 0 362.289 2.630 20 10 FFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287401831 511048130 /nfs/dbraw/zinc/04/81/30/511048130.db2.gz KTDDEIDMAGSJFH-FXAWDEMLSA-N 1 0 354.498 2.831 20 10 FFCDRO COc1c(O)c(C[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)ccc1[N+](=O)[O-] ZINC000364761626 511067509 /nfs/dbraw/zinc/06/75/09/511067509.db2.gz VWLCKUGQZSILEY-HNNXBMFYSA-N 1 0 371.393 2.513 20 10 FFCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c(=O)n1C ZINC000279488723 511101420 /nfs/dbraw/zinc/10/14/20/511101420.db2.gz LKEKWARZJOTFKV-HNNXBMFYSA-N 1 0 359.445 2.520 20 10 FFCDRO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000289623617 511106371 /nfs/dbraw/zinc/10/63/71/511106371.db2.gz DUZWDLPBVIOCJM-HNNXBMFYSA-N 1 0 358.461 2.974 20 10 FFCDRO O=C(NCc1ccccc1O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271196094 511115835 /nfs/dbraw/zinc/11/58/35/511115835.db2.gz WOLOSGUKUHLUQJ-UHFFFAOYSA-N 1 0 354.450 2.527 20 10 FFCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000291131314 511160710 /nfs/dbraw/zinc/16/07/10/511160710.db2.gz IDKVLRFRXYGRFS-LLVKDONJSA-N 1 0 358.280 2.683 20 10 FFCDRO CCOCc1cc(C[NH2+]CC2(OCCOC)CCOCC2)ccc1OC ZINC000294813003 511186609 /nfs/dbraw/zinc/18/66/09/511186609.db2.gz OBWHTLLGPOONJR-UHFFFAOYSA-N 1 0 367.486 2.534 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000295110889 511286527 /nfs/dbraw/zinc/28/65/27/511286527.db2.gz WCQOMIBPPWQAOT-LJQANCHMSA-N 1 0 371.481 2.921 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271875127 511355162 /nfs/dbraw/zinc/35/51/62/511355162.db2.gz RGTYQRHJJJHENA-HNNXBMFYSA-N 1 0 359.495 2.785 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000273420096 511525178 /nfs/dbraw/zinc/52/51/78/511525178.db2.gz RWZQLUUQIWDFSY-HNNXBMFYSA-N 1 0 372.465 2.970 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273430969 511525685 /nfs/dbraw/zinc/52/56/85/511525685.db2.gz LBDTVZIFNHXDIX-CYBMUJFWSA-N 1 0 364.423 2.733 20 10 FFCDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000273439971 511526502 /nfs/dbraw/zinc/52/65/02/511526502.db2.gz MPWSWBSCARVTJP-XPTSAGLGSA-N 1 0 363.767 2.880 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1O ZINC000273696177 511577176 /nfs/dbraw/zinc/57/71/76/511577176.db2.gz CJKMSGNHJXRPKC-CVEARBPZSA-N 1 0 351.830 2.628 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000363544321 511619246 /nfs/dbraw/zinc/61/92/46/511619246.db2.gz JHKLSAOBACQEQV-UHFFFAOYSA-N 1 0 361.486 2.875 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](SC)[C@@H](N(C)C)C3)cc2)CC1 ZINC000296327954 511702381 /nfs/dbraw/zinc/70/23/81/511702381.db2.gz PAWUVSRTVSWGNH-VQTJNVASSA-N 1 0 363.571 2.779 20 10 FFCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000281167228 511745084 /nfs/dbraw/zinc/74/50/84/511745084.db2.gz QHJRRKZQQPCUJQ-OAQYLSRUSA-N 1 0 354.450 2.929 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000296534014 511785159 /nfs/dbraw/zinc/78/51/59/511785159.db2.gz QPORTPWXINMQPF-LMKMVOKYSA-N 1 0 367.511 2.928 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000296597206 511811993 /nfs/dbraw/zinc/81/19/93/511811993.db2.gz YCTWOXVQXUOQFD-UHFFFAOYSA-N 1 0 357.454 2.626 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000363951346 511870046 /nfs/dbraw/zinc/87/00/46/511870046.db2.gz WHGRMHBYPJLHKS-NRFANRHFSA-N 1 0 371.525 2.889 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1OC ZINC000373719880 512472287 /nfs/dbraw/zinc/47/22/87/512472287.db2.gz MZZXOEXISLWCMN-TYILLQQXSA-N 1 0 351.443 2.568 20 10 FFCDRO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1)N1CCCC1 ZINC000372415210 512863478 /nfs/dbraw/zinc/86/34/78/512863478.db2.gz DNWRCHMPGPZLFX-HXUWFJFHSA-N 1 0 357.498 2.500 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000370562970 512995138 /nfs/dbraw/zinc/99/51/38/512995138.db2.gz BHWNAWRXLMXSNB-SOUVJXGZSA-N 1 0 367.440 2.761 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000370636946 513026922 /nfs/dbraw/zinc/02/69/22/513026922.db2.gz SURZOQNSKXMXEB-RDJZCZTQSA-N 1 0 352.482 2.781 20 10 FFCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000370670390 513044690 /nfs/dbraw/zinc/04/46/90/513044690.db2.gz AWRJTBOUHJHSRY-KSSFIOAISA-N 1 0 370.472 2.969 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000370779568 513097318 /nfs/dbraw/zinc/09/73/18/513097318.db2.gz LHVCEGVBUAEZRY-INIZCTEOSA-N 1 0 353.413 2.515 20 10 FFCDRO CCOCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436043062 513744051 /nfs/dbraw/zinc/74/40/51/513744051.db2.gz IJHLKALTTRRVQM-UHFFFAOYSA-N 1 0 357.498 2.903 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2COCC2(C)C)C1 ZINC000456532747 515239287 /nfs/dbraw/zinc/23/92/87/515239287.db2.gz FHCVERUUCHEDFJ-FQEVSTJZSA-N 1 0 369.509 2.949 20 10 FFCDRO O=C(N[C@H]1CC[NH2+]C12CCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000529368275 517106487 /nfs/dbraw/zinc/10/64/87/517106487.db2.gz VJMILNVCJJSKFF-SFHVURJKSA-N 1 0 355.438 2.982 20 10 FFCDRO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)o1 ZINC000527586488 517774595 /nfs/dbraw/zinc/77/45/95/517774595.db2.gz GFCULJFSMFHQKN-UHFFFAOYSA-N 1 0 372.421 2.725 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](CO)C2CCC2)C1 ZINC000617312099 520424772 /nfs/dbraw/zinc/42/47/72/520424772.db2.gz RNFBQSQUYDCGHP-LJQANCHMSA-N 1 0 369.509 2.685 20 10 FFCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(OC)c(C)cc3O)CC2)n1 ZINC000160327901 728920154 /nfs/dbraw/zinc/92/01/54/728920154.db2.gz GNCHHERESOFDGX-UHFFFAOYSA-N 1 0 362.499 2.835 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1F ZINC000898398677 735355376 /nfs/dbraw/zinc/35/53/76/735355376.db2.gz JLQZTEMQQGBFEA-RUZDIDTESA-N 1 0 370.538 2.678 20 10 FFCDRO CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1cc(Br)ccc1O ZINC000036933205 727932142 /nfs/dbraw/zinc/93/21/42/727932142.db2.gz RIVDVTXRLKBLIJ-DOMZBBRYSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000126066567 728692521 /nfs/dbraw/zinc/69/25/21/728692521.db2.gz CZPDGMOFJDTIAQ-UHFFFAOYSA-N 1 0 358.232 2.502 20 10 FFCDRO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130084021 728715034 /nfs/dbraw/zinc/71/50/34/728715034.db2.gz LWUCYRPADIGYAK-ZIAGYGMSSA-N 1 0 355.429 2.713 20 10 FFCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000180470218 729215181 /nfs/dbraw/zinc/21/51/81/729215181.db2.gz AWCNTXRABSMUOM-MRXNPFEDSA-N 1 0 353.532 2.655 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000779022229 738430204 /nfs/dbraw/zinc/43/02/04/738430204.db2.gz PCGTXYWZYVLZOC-QWHCGFSZSA-N 1 0 357.292 2.834 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000779007096 738428995 /nfs/dbraw/zinc/42/89/95/738428995.db2.gz UVAPHDXDRZFHJY-WDEREUQCSA-N 1 0 362.289 2.548 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779024761 738430540 /nfs/dbraw/zinc/43/05/40/738430540.db2.gz QZGIXSMLMKKQMW-GXTWGEPZSA-N 1 0 357.292 2.834 20 10 FFCDRO Cc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000857159352 730381784 /nfs/dbraw/zinc/38/17/84/730381784.db2.gz NKOLIWMLWWAEMM-OAHLLOKOSA-N 1 0 362.861 2.780 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)[C@@H]1n1cccn1 ZINC000858170203 730418563 /nfs/dbraw/zinc/41/85/63/730418563.db2.gz HPUQJQZZVBWPHG-IMJJTQAJSA-N 1 0 366.259 2.860 20 10 FFCDRO Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CCO1 ZINC000858172113 730418689 /nfs/dbraw/zinc/41/86/89/730418689.db2.gz JZKHOTSXEICQOZ-ZBEGNZNMSA-N 1 0 366.259 2.898 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1F ZINC000858236522 730420551 /nfs/dbraw/zinc/42/05/51/730420551.db2.gz QWFUPJSKXDDLJG-UHFFFAOYSA-N 1 0 360.420 2.938 20 10 FFCDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2c(O)cccc2Br)c[nH]1 ZINC000858290057 730421926 /nfs/dbraw/zinc/42/19/26/730421926.db2.gz PJCLHURIKDTORI-CJNGLKHVSA-N 1 0 365.227 2.875 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3CC(F)(F)C3)CC2)cc1 ZINC000862275184 730684760 /nfs/dbraw/zinc/68/47/60/730684760.db2.gz NABFDSKZCSTUFL-HNNXBMFYSA-N 1 0 353.457 2.841 20 10 FFCDRO Nc1nccc([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862358818 730691273 /nfs/dbraw/zinc/69/12/73/730691273.db2.gz WZJKJFFCZVRXIR-LLVKDONJSA-N 1 0 363.259 2.907 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1O ZINC000862551294 730708807 /nfs/dbraw/zinc/70/88/07/730708807.db2.gz LNLNKAFARHUTTG-AWEZNQCLSA-N 1 0 353.260 2.706 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000865695476 730986943 /nfs/dbraw/zinc/98/69/43/730986943.db2.gz ZRARJCCWTRPRJQ-LHAOPBRWSA-N 1 0 354.244 2.676 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000866463593 731063189 /nfs/dbraw/zinc/06/31/89/731063189.db2.gz BXKMNTZIDAIAQG-ZIBATOQPSA-N 1 0 350.356 2.625 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000866572635 731075702 /nfs/dbraw/zinc/07/57/02/731075702.db2.gz DFZOWTKSPVNKCP-HNNXBMFYSA-N 1 0 353.532 2.642 20 10 FFCDRO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1O ZINC000866630471 731081515 /nfs/dbraw/zinc/08/15/15/731081515.db2.gz QEQJYQMXPOIZIC-SECBINFHSA-N 1 0 357.195 2.581 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795797 731832451 /nfs/dbraw/zinc/83/24/51/731832451.db2.gz NZGNEHSTVUCHOZ-ZFWWWQNUSA-N 1 0 367.511 2.565 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)cc2)CC1 ZINC000877543019 732384362 /nfs/dbraw/zinc/38/43/62/732384362.db2.gz VENVDVMEYXVREZ-SFHVURJKSA-N 1 0 360.889 2.945 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000877578392 732392375 /nfs/dbraw/zinc/39/23/75/732392375.db2.gz DBCPAQOVIHPSOW-HNNXBMFYSA-N 1 0 350.459 2.816 20 10 FFCDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000877686640 732413893 /nfs/dbraw/zinc/41/38/93/732413893.db2.gz SBFKJNGMEFQGEE-IBGZPJMESA-N 1 0 351.443 2.581 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(Br)cc(C)c2O)on1 ZINC000877711683 732417411 /nfs/dbraw/zinc/41/74/11/732417411.db2.gz UZJKGAJRUKMABD-UHFFFAOYSA-N 1 0 369.215 2.918 20 10 FFCDRO CN(C)c1cc(F)c(CN(C)CC[NH+]2CC3(C2)CCOCC3)cc1F ZINC000877767020 732426291 /nfs/dbraw/zinc/42/62/91/732426291.db2.gz SFODUSYPGDNGOC-UHFFFAOYSA-N 1 0 353.457 2.575 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nccc(C(F)(F)F)n3)cc2)CC1 ZINC000882880368 733306605 /nfs/dbraw/zinc/30/66/05/733306605.db2.gz OATUEYPUVUMDNC-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000890759887 734336658 /nfs/dbraw/zinc/33/66/58/734336658.db2.gz UJKLJSMUAOBPGO-CQSZACIVSA-N 1 0 354.903 2.879 20 10 FFCDRO [NH3+]Cc1nc2c(s1)CCN(Cc1cc(Br)ccc1O)C2 ZINC000710240883 734364425 /nfs/dbraw/zinc/36/44/25/734364425.db2.gz RMTDTSYDPAQUTN-UHFFFAOYSA-N 1 0 354.273 2.628 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000725849403 734396453 /nfs/dbraw/zinc/39/64/53/734396453.db2.gz GWGCXRNQNFSJLB-UHFFFAOYSA-N 1 0 365.227 2.892 20 10 FFCDRO Cc1nc(C)c(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891243687 734403977 /nfs/dbraw/zinc/40/39/77/734403977.db2.gz SPENWCFURLDWHN-KRWDZBQOSA-N 1 0 360.527 2.788 20 10 FFCDRO CSc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247778 734404533 /nfs/dbraw/zinc/40/45/33/734404533.db2.gz VDRMQPMEFALSNG-MRXNPFEDSA-N 1 0 358.511 2.902 20 10 FFCDRO Cc1ncsc1CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250093 734404977 /nfs/dbraw/zinc/40/49/77/734404977.db2.gz UPAXPGYQLSGLQW-QGZVFWFLSA-N 1 0 360.527 2.869 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000891258676 734406096 /nfs/dbraw/zinc/40/60/96/734406096.db2.gz ZBFGIVQIEHEBAT-AWEZNQCLSA-N 1 0 362.455 2.755 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891675029 734460218 /nfs/dbraw/zinc/46/02/18/734460218.db2.gz WUBLEADIJAIBFJ-INIZCTEOSA-N 1 0 354.545 2.801 20 10 FFCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000892031145 734508377 /nfs/dbraw/zinc/50/83/77/734508377.db2.gz HCDAZLSCOJKMRQ-MRXNPFEDSA-N 1 0 362.543 2.523 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000892932357 734625180 /nfs/dbraw/zinc/62/51/80/734625180.db2.gz HJWIYUYVORQPEU-UHFFFAOYSA-N 1 0 356.264 2.568 20 10 FFCDRO CCCNC(=O)C1([NH2+]Cc2ccc(OC)c(OC)c2O)CCCCC1 ZINC000893600965 734724779 /nfs/dbraw/zinc/72/47/79/734724779.db2.gz BLYQZQVTWKGFMS-UHFFFAOYSA-N 1 0 350.459 2.728 20 10 FFCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(OC)c(OC)c1O ZINC000894432199 734857321 /nfs/dbraw/zinc/85/73/21/734857321.db2.gz JTDYWVCJMODZOM-UHFFFAOYSA-N 1 0 350.459 2.634 20 10 FFCDRO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc(OC)c(OC)c1O)CC1CC1 ZINC000895010573 734952143 /nfs/dbraw/zinc/95/21/43/734952143.db2.gz ZMZQBQNDDQTIIW-LJQANCHMSA-N 1 0 351.443 2.963 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C2CC2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744503 734960067 /nfs/dbraw/zinc/96/00/67/734960067.db2.gz SARDPGKIQDCUPQ-MRXNPFEDSA-N 1 0 355.404 2.880 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(=O)NCc1cccs1 ZINC000895109768 734965077 /nfs/dbraw/zinc/96/50/77/734965077.db2.gz WPIQVQVXLAXNKT-CQSZACIVSA-N 1 0 364.467 2.656 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c(O)c1OC ZINC000895472893 735011705 /nfs/dbraw/zinc/01/17/05/735011705.db2.gz BGNWOQLVACRGSV-CYBMUJFWSA-N 1 0 357.328 2.650 20 10 FFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(F)(F)F ZINC000895714824 735045856 /nfs/dbraw/zinc/04/58/56/735045856.db2.gz XTGCTSKXSOGWTH-NNTXTVRGSA-N 1 0 369.767 2.987 20 10 FFCDRO O=S(=O)(C1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCCC1 ZINC000897274181 735214178 /nfs/dbraw/zinc/21/41/78/735214178.db2.gz BIRNADLNTPAYMU-UHFFFAOYSA-N 1 0 372.918 2.826 20 10 FFCDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000897346747 735222756 /nfs/dbraw/zinc/22/27/56/735222756.db2.gz YCBIBYWYIPZBNT-AWEZNQCLSA-N 1 0 371.275 2.558 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000750047013 735768243 /nfs/dbraw/zinc/76/82/43/735768243.db2.gz LENXYSXLURRBTQ-HNNXBMFYSA-N 1 0 369.845 2.792 20 10 FFCDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000750837626 735819200 /nfs/dbraw/zinc/81/92/00/735819200.db2.gz LPYHROHPSNOUEO-KRWDZBQOSA-N 1 0 352.450 2.667 20 10 FFCDRO CCNC(=O)C1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCC1 ZINC000752928300 736023856 /nfs/dbraw/zinc/02/38/56/736023856.db2.gz BYJZHWJPHFQIDU-UHFFFAOYSA-N 1 0 371.275 2.559 20 10 FFCDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000903346061 736078392 /nfs/dbraw/zinc/07/83/92/736078392.db2.gz QCFCQZOZKXWGGM-VIFPVBQESA-N 1 0 370.247 2.756 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cc(Cl)ccc1O ZINC000756445795 736331740 /nfs/dbraw/zinc/33/17/40/736331740.db2.gz PRHULQDAPSLFNV-ZDUSSCGKSA-N 1 0 368.886 2.816 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1 ZINC000756445874 736331895 /nfs/dbraw/zinc/33/18/95/736331895.db2.gz PVXYBJJWZSNXDH-IAQYHMDHSA-N 1 0 364.442 2.778 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000756458706 736332836 /nfs/dbraw/zinc/33/28/36/736332836.db2.gz KDJVYPFTLHGAEG-DGCLKSJQSA-N 1 0 365.813 2.865 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(Br)cc1O ZINC000756732072 736356208 /nfs/dbraw/zinc/35/62/08/736356208.db2.gz LNMHXAWQGQHAPO-XVMOGABASA-N 1 0 353.260 2.815 20 10 FFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756854429 736367308 /nfs/dbraw/zinc/36/73/08/736367308.db2.gz FCOYBZOTRBNWBC-YUELXQCFSA-N 1 0 352.450 2.847 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000757705079 736421332 /nfs/dbraw/zinc/42/13/32/736421332.db2.gz MFSJTFFSCGWHHV-INIZCTEOSA-N 1 0 367.559 2.855 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000757706271 736421366 /nfs/dbraw/zinc/42/13/66/736421366.db2.gz VWDXGNHORHBHRP-IUODEOHRSA-N 1 0 370.490 2.731 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000760017179 736610607 /nfs/dbraw/zinc/61/06/07/736610607.db2.gz NFSIPSSWAICXGY-ZDUSSCGKSA-N 1 0 367.442 2.802 20 10 FFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000761451857 736736526 /nfs/dbraw/zinc/73/65/26/736736526.db2.gz NZZNKCOGCGARDO-CYBMUJFWSA-N 1 0 365.524 2.537 20 10 FFCDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762720867 736861496 /nfs/dbraw/zinc/86/14/96/736861496.db2.gz DTMUJYSXOVNBGF-IBGZPJMESA-N 1 0 361.873 2.544 20 10 FFCDRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000764977680 737069217 /nfs/dbraw/zinc/06/92/17/737069217.db2.gz QRZDSTNPZZFTIL-UHFFFAOYSA-N 1 0 366.870 2.875 20 10 FFCDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978878 737179880 /nfs/dbraw/zinc/17/98/80/737179880.db2.gz QVCCRQQYABBARS-OAHLLOKOSA-N 1 0 364.536 2.704 20 10 FFCDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773044697 737865543 /nfs/dbraw/zinc/86/55/43/737865543.db2.gz REICTUVFLGACTN-CSTKLKAISA-N 1 0 358.935 2.984 20 10 FFCDRO C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[S@](C)=O ZINC000773065718 737868048 /nfs/dbraw/zinc/86/80/48/737868048.db2.gz QEHAHKXBNKFCEW-XXAQJILISA-N 1 0 358.935 2.984 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107972 737872031 /nfs/dbraw/zinc/87/20/31/737872031.db2.gz SBXZUDNTUKESQC-WCQYABFASA-N 1 0 350.356 2.626 20 10 FFCDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000921738254 738035544 /nfs/dbraw/zinc/03/55/44/738035544.db2.gz PLBFRFSHNIFSEB-SJLPKXTDSA-N 1 0 368.568 2.685 20 10 FFCDRO CC(C)S(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921799675 738046431 /nfs/dbraw/zinc/04/64/31/738046431.db2.gz IHDGXBKKLMGDCR-YJBOKZPZSA-N 1 0 366.527 2.550 20 10 FFCDRO CC(C)S(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921799673 738046586 /nfs/dbraw/zinc/04/65/86/738046586.db2.gz IHDGXBKKLMGDCR-MAUKXSAKSA-N 1 0 366.527 2.550 20 10 FFCDRO O[C@@H]([C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000775135618 738064440 /nfs/dbraw/zinc/06/44/40/738064440.db2.gz CCBBZIBQTVYMGS-RDJZCZTQSA-N 1 0 358.404 2.658 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cc(Cl)ccc1O ZINC000775493409 738096867 /nfs/dbraw/zinc/09/68/67/738096867.db2.gz ZSUBPGYRVLNVQA-OAHLLOKOSA-N 1 0 360.907 2.900 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)ccc1O ZINC000775513070 738098435 /nfs/dbraw/zinc/09/84/35/738098435.db2.gz NNHWDQSKJBTADY-ZDUSSCGKSA-N 1 0 364.243 2.890 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1O ZINC000775525227 738099346 /nfs/dbraw/zinc/09/93/46/738099346.db2.gz FDVSZXSQYDDQLC-TZMCWYRMSA-N 1 0 350.850 2.839 20 10 FFCDRO Fc1cc(C[NH2+]CCCO[C@@H]2CCCCO2)ccc1N1CCOCC1 ZINC000922235009 738109732 /nfs/dbraw/zinc/10/97/32/738109732.db2.gz ZBENPDIRAKQEHP-LJQANCHMSA-N 1 0 352.450 2.685 20 10 FFCDRO CCOC(=O)c1cnc(N2CC[NH+](Cc3cccc(C)c3O)CC2)s1 ZINC000775724570 738117474 /nfs/dbraw/zinc/11/74/74/738117474.db2.gz HXDBTITWYKDQCX-UHFFFAOYSA-N 1 0 361.467 2.656 20 10 FFCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000775720671 738117510 /nfs/dbraw/zinc/11/75/10/738117510.db2.gz OIQIKYZNJHAOCD-WMLDXEAASA-N 1 0 357.420 2.590 20 10 FFCDRO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000922850844 738209223 /nfs/dbraw/zinc/20/92/23/738209223.db2.gz WQJHFDOJCMVPDC-VHRNVKJDSA-N 1 0 367.511 2.896 20 10 FFCDRO COC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccsc1 ZINC000789580771 739369817 /nfs/dbraw/zinc/36/98/17/739369817.db2.gz KOEZHKRSVDTBHH-SFHVURJKSA-N 1 0 359.495 2.504 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1C(C)C ZINC000795655250 740049169 /nfs/dbraw/zinc/04/91/69/740049169.db2.gz YCLDXDMFIQVEQX-MRXNPFEDSA-N 1 0 354.516 2.680 20 10 FFCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796303872 740129332 /nfs/dbraw/zinc/12/93/32/740129332.db2.gz FJYXRRZXWGGGGH-MRXNPFEDSA-N 1 0 358.507 2.772 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C(F)(F)F)c1 ZINC000798957895 740377512 /nfs/dbraw/zinc/37/75/12/740377512.db2.gz SFCWYYUQYZDZFF-DOMZBBRYSA-N 1 0 357.376 2.702 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000809702385 741334297 /nfs/dbraw/zinc/33/42/97/741334297.db2.gz SKSMKAPDWOUBJB-WFASDCNBSA-N 1 0 360.907 2.552 20 10 FFCDRO COC(=O)CCCCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000809727283 741337399 /nfs/dbraw/zinc/33/73/99/741337399.db2.gz HJPIIAOWLOFYAC-UHFFFAOYSA-N 1 0 360.248 2.986 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000809743005 741338968 /nfs/dbraw/zinc/33/89/68/741338968.db2.gz IFXBLUKZOKBAHV-OAHLLOKOSA-N 1 0 361.364 2.988 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)CCn2cc(Br)cn2)cc1F ZINC000809792805 741343882 /nfs/dbraw/zinc/34/38/82/741343882.db2.gz HPRFKVVSSIAPOM-UHFFFAOYSA-N 1 0 355.255 2.983 20 10 FFCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811930390 741574982 /nfs/dbraw/zinc/57/49/82/741574982.db2.gz XZNFSNLSDQJRMT-NSHDSACASA-N 1 0 358.280 2.683 20 10 FFCDRO CSC1(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+](C)CC1 ZINC000811939984 741575785 /nfs/dbraw/zinc/57/57/85/741575785.db2.gz FUZXFDCCYNLPTO-UHFFFAOYSA-N 1 0 364.559 2.721 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N(C)OC)CC2)cc1F ZINC000812779853 741651429 /nfs/dbraw/zinc/65/14/29/741651429.db2.gz ISIDECBTJUZQBP-UHFFFAOYSA-N 1 0 351.466 2.904 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816508184 742036503 /nfs/dbraw/zinc/03/65/03/742036503.db2.gz DWULRLCXMRNMLP-UHFFFAOYSA-N 1 0 362.495 2.791 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000816645568 742050567 /nfs/dbraw/zinc/05/05/67/742050567.db2.gz BATAEHOHGHTHJX-UHFFFAOYSA-N 1 0 372.259 2.892 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816667775 742052319 /nfs/dbraw/zinc/05/23/19/742052319.db2.gz WGPFCZRQKRUFOD-SJORKVTESA-N 1 0 370.287 2.873 20 10 FFCDRO C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000817888985 742220851 /nfs/dbraw/zinc/22/08/51/742220851.db2.gz QNXMHLPDUYUASP-SUMWQHHRSA-N 1 0 357.420 2.772 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000817973306 742225561 /nfs/dbraw/zinc/22/55/61/742225561.db2.gz TVXLKRXVICOVON-KGLIPLIRSA-N 1 0 365.827 2.922 20 10 FFCDRO O=C(/C=C/[C@@H]1CCCO1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000819398827 742385540 /nfs/dbraw/zinc/38/55/40/742385540.db2.gz QANYADIMIVUJGS-IWDGFTLQSA-N 1 0 364.873 2.861 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000819525762 742402177 /nfs/dbraw/zinc/40/21/77/742402177.db2.gz QIJSLMZUHBSCRX-LJQANCHMSA-N 1 0 361.511 2.684 20 10 FFCDRO CS[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH+]1CCCC1 ZINC000821893096 742676320 /nfs/dbraw/zinc/67/63/20/742676320.db2.gz CUGNZSPSQPOZPO-CABCVRRESA-N 1 0 361.471 2.501 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000822459362 742736857 /nfs/dbraw/zinc/73/68/57/742736857.db2.gz SVLHKNWLGKQLAQ-CQSZACIVSA-N 1 0 353.260 2.788 20 10 FFCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000823850827 742990099 /nfs/dbraw/zinc/99/00/99/742990099.db2.gz FEPFMVQNYZYLEY-JTDSTZFVSA-N 1 0 350.528 2.836 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000824644978 743122561 /nfs/dbraw/zinc/12/25/61/743122561.db2.gz VRDOHUWTRAWEGV-RYUDHWBXSA-N 1 0 354.447 2.801 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655209 743124009 /nfs/dbraw/zinc/12/40/09/743124009.db2.gz VARNBWDFJPIVFG-NILFDRSVSA-N 1 0 356.260 2.517 20 10 FFCDRO CCN(C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1)S(C)(=O)=O ZINC000824775919 743146299 /nfs/dbraw/zinc/14/62/99/743146299.db2.gz CMEHOLSNSBRAJW-UHFFFAOYSA-N 1 0 360.907 2.600 20 10 FFCDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2O)CN1 ZINC000824948462 743183905 /nfs/dbraw/zinc/18/39/05/743183905.db2.gz FMRRYQCDHAJGLK-TZMCWYRMSA-N 1 0 353.260 2.645 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000825142735 743217914 /nfs/dbraw/zinc/21/79/14/743217914.db2.gz BNCJNBSELXZZID-AWEZNQCLSA-N 1 0 370.218 2.823 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCN(CCC(F)(F)F)CC1 ZINC000825331511 743250181 /nfs/dbraw/zinc/25/01/81/743250181.db2.gz IETDMHBFDYBJSI-UHFFFAOYSA-N 1 0 360.376 2.970 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000826539463 743392743 /nfs/dbraw/zinc/39/27/43/743392743.db2.gz ULDCSUCEYMMBEO-INIZCTEOSA-N 1 0 369.303 2.841 20 10 FFCDRO O=C(/C=C\[C@@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827310538 743553031 /nfs/dbraw/zinc/55/30/31/743553031.db2.gz PKRBHWAWGQQVCV-ZYRHEIGGSA-N 1 0 364.873 2.719 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000829236013 745181654 /nfs/dbraw/zinc/18/16/54/745181654.db2.gz GBOSKKNTKPNAHL-MRXNPFEDSA-N 1 0 358.511 2.920 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831241355 745505023 /nfs/dbraw/zinc/50/50/23/745505023.db2.gz QYOWUEBPEIHCOP-WBMJQRKESA-N 1 0 356.495 2.529 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C[N@@H+]1C1CC1 ZINC000832128604 745641123 /nfs/dbraw/zinc/64/11/23/745641123.db2.gz IYEHJLQXDMBMTP-DOMZBBRYSA-N 1 0 356.495 2.671 20 10 FFCDRO Cc1cc(Br)oc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272304 745669648 /nfs/dbraw/zinc/66/96/48/745669648.db2.gz DZWMJCQASHOSSX-ZDUSSCGKSA-N 1 0 366.259 2.846 20 10 FFCDRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283875 745671521 /nfs/dbraw/zinc/67/15/21/745671521.db2.gz CQUYUFWJUABXPT-UGSOOPFHSA-N 1 0 361.873 2.990 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(Br)ccc1O ZINC000834851481 745914690 /nfs/dbraw/zinc/91/46/90/745914690.db2.gz YAQVOBVFOQXRPE-OCCSQVGLSA-N 1 0 357.292 2.652 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025742 745932198 /nfs/dbraw/zinc/93/21/98/745932198.db2.gz MNADQNLJPUPCKQ-WAYWQWQTSA-N 1 0 365.543 2.560 20 10 FFCDRO OCCOCCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839007485 746753995 /nfs/dbraw/zinc/75/39/95/746753995.db2.gz YLIWHKVRGQJJKW-UHFFFAOYSA-N 1 0 371.319 2.928 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CN1C1CC1 ZINC000839146710 746788267 /nfs/dbraw/zinc/78/82/67/746788267.db2.gz RVIQPLCPFYYKKT-DZGCQCFKSA-N 1 0 351.441 2.516 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc(N(C)C)cc1 ZINC000839564665 746857215 /nfs/dbraw/zinc/85/72/15/746857215.db2.gz WQSUULAQBGRXDR-LBPRGKRZSA-N 1 0 360.483 2.592 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc(N(C)C)cc1 ZINC000839564663 746857288 /nfs/dbraw/zinc/85/72/88/746857288.db2.gz WQSUULAQBGRXDR-GFCCVEGCSA-N 1 0 360.483 2.592 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000840883992 747212097 /nfs/dbraw/zinc/21/20/97/747212097.db2.gz NYSIAUVNKOOHQQ-JTQLQIEISA-N 1 0 362.289 2.691 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c(Cl)c1 ZINC000840908353 747221900 /nfs/dbraw/zinc/22/19/00/747221900.db2.gz VUJQAHNYMBKVBM-ZDUSSCGKSA-N 1 0 350.821 2.927 20 10 FFCDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCCSc3nccs3)cc2C1 ZINC000841326009 747317678 /nfs/dbraw/zinc/31/76/78/747317678.db2.gz UBSKCXQJHSSGOM-LBPRGKRZSA-N 1 0 363.512 2.658 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1F ZINC000841798460 747463098 /nfs/dbraw/zinc/46/30/98/747463098.db2.gz JEYZCGFBIGGQQZ-UHFFFAOYSA-N 1 0 350.482 2.861 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2Cl)C1 ZINC000841895392 747484305 /nfs/dbraw/zinc/48/43/05/747484305.db2.gz BJIOYWFUBSNPFS-DZGCQCFKSA-N 1 0 350.894 2.737 20 10 FFCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841897211 747485083 /nfs/dbraw/zinc/48/50/83/747485083.db2.gz SBBSJOLASFHYAK-AWEZNQCLSA-N 1 0 352.910 2.985 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000841985781 747497367 /nfs/dbraw/zinc/49/73/67/747497367.db2.gz BQEPUZACMLJSCS-FZMZJTMJSA-N 1 0 370.291 2.684 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842012258 747501180 /nfs/dbraw/zinc/50/11/80/747501180.db2.gz ZMEVIZOKDDGODU-BXUZGUMPSA-N 1 0 370.291 2.814 20 10 FFCDRO C[N@H+](CCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000842261289 747559698 /nfs/dbraw/zinc/55/96/98/747559698.db2.gz IUOFAENAVACLCN-UHFFFAOYSA-N 1 0 365.861 2.684 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCc1ccc(Cl)cc1 ZINC000843349510 747815121 /nfs/dbraw/zinc/81/51/21/747815121.db2.gz BVIJGZJKSJNLSZ-UHFFFAOYSA-N 1 0 357.885 2.910 20 10 FFCDRO C[C@H](C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)NC(=O)OC(C)(C)C ZINC000843417443 747833390 /nfs/dbraw/zinc/83/33/90/747833390.db2.gz UHGMOVDHBLOFJQ-VXGBXAGGSA-N 1 0 352.431 2.902 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000843462493 747840100 /nfs/dbraw/zinc/84/01/00/747840100.db2.gz IRFLTMAUXUGRQK-SNVBAGLBSA-N 1 0 350.260 2.934 20 10 FFCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843750856 747889240 /nfs/dbraw/zinc/88/92/40/747889240.db2.gz YJKHWCWXEKMTMS-UHFFFAOYSA-N 1 0 365.275 2.543 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cs2)cc1 ZINC000844174448 747983483 /nfs/dbraw/zinc/98/34/83/747983483.db2.gz DAXGSMXPGQPJAT-NVXWUHKLSA-N 1 0 356.495 2.673 20 10 FFCDRO CC(C)C[N@H+](C)CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000844726052 748084227 /nfs/dbraw/zinc/08/42/27/748084227.db2.gz VAITYPRAPOKSKY-UHFFFAOYSA-N 1 0 367.877 2.788 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1F ZINC000846144845 748415206 /nfs/dbraw/zinc/41/52/06/748415206.db2.gz KNPZDFZPWNKAHO-UHFFFAOYSA-N 1 0 350.482 2.942 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000846205962 748429940 /nfs/dbraw/zinc/42/99/40/748429940.db2.gz LUURNXJTAUIEBD-MNOVXSKESA-N 1 0 353.260 2.816 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)cc1O ZINC000846205963 748430102 /nfs/dbraw/zinc/43/01/02/748430102.db2.gz LUURNXJTAUIEBD-QWRGUYRKSA-N 1 0 353.260 2.816 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000846222143 748433326 /nfs/dbraw/zinc/43/33/26/748433326.db2.gz GPLIQQNDALUQKR-QANKJYHBSA-N 1 0 366.889 2.967 20 10 FFCDRO CCN1C[C@@H](C[N@H+](CC)Cc2cc(Br)ccc2O)OC1=O ZINC000846808024 748548807 /nfs/dbraw/zinc/54/88/07/748548807.db2.gz OYBBTIPIEVNDBG-CYBMUJFWSA-N 1 0 357.248 2.817 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848528599 748950542 /nfs/dbraw/zinc/95/05/42/748950542.db2.gz NUBAEMISVUGQAF-DGCLKSJQSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000848533650 748952477 /nfs/dbraw/zinc/95/24/77/748952477.db2.gz MEPRMDGPHKVASS-HZMBPMFUSA-N 1 0 374.275 2.601 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848594975 748969606 /nfs/dbraw/zinc/96/96/06/748969606.db2.gz ICCOZXFRUAJYMG-HNNXBMFYSA-N 1 0 358.408 2.708 20 10 FFCDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c1O ZINC000848899242 749030520 /nfs/dbraw/zinc/03/05/20/749030520.db2.gz LUSVEDBSEAYPGH-UHFFFAOYSA-N 1 0 374.915 2.738 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H](C)CCNS(=O)(=O)c2ccccc2)c1O ZINC000848909125 749032559 /nfs/dbraw/zinc/03/25/59/749032559.db2.gz LQDHMHRZXUMAQS-HNNXBMFYSA-N 1 0 362.495 2.801 20 10 FFCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000852924592 749973368 /nfs/dbraw/zinc/97/33/68/749973368.db2.gz RNSWLGGHOADVJO-JTQLQIEISA-N 1 0 365.275 2.589 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000397476286 845868631 /nfs/dbraw/zinc/86/86/31/845868631.db2.gz UUNXJRRATCPMDO-AWEZNQCLSA-N 1 0 356.850 2.771 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000182351780 971022104 /nfs/dbraw/zinc/02/21/04/971022104.db2.gz TZSABPCJTBDEAF-LBPRGKRZSA-N 1 0 371.393 2.549 20 10 FFCDRO Cc1nccnc1[C@@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896320807 971421000 /nfs/dbraw/zinc/42/10/00/971421000.db2.gz ZPAINPBQZIYHLO-QAPCUYQASA-N 1 0 370.501 2.514 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000896446729 971494884 /nfs/dbraw/zinc/49/48/84/971494884.db2.gz XZODPVZMTGHFGW-UHFFFAOYSA-N 1 0 352.434 2.858 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c2cc(F)ccc2n1C ZINC000896848498 971870428 /nfs/dbraw/zinc/87/04/28/971870428.db2.gz MTQDBDRKKPDEAJ-GUTXKFCHSA-N 1 0 358.413 2.785 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000195444390 971961496 /nfs/dbraw/zinc/96/14/96/971961496.db2.gz ZBSSZZRPYNXVJD-UHFFFAOYSA-N 1 0 357.498 2.655 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001271242700 972402930 /nfs/dbraw/zinc/40/29/30/972402930.db2.gz ZRGCGZQABUBXML-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO O=C(N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2)c1cccc(O)c1O ZINC001271241771 972403516 /nfs/dbraw/zinc/40/35/16/972403516.db2.gz KCDMXZIWVVVWPK-UXHICEINSA-N 1 0 355.438 2.791 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(CNc3cc[nH+]cc3C3CC3)cc2)C1 ZINC000872418417 1013215592 /nfs/dbraw/zinc/21/55/92/1013215592.db2.gz OOMSGCBEGHOYRC-KRWDZBQOSA-N 1 0 350.466 2.695 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000124151497 1013226637 /nfs/dbraw/zinc/22/66/37/1013226637.db2.gz IXJUEVNFOOZYKY-UHFFFAOYSA-N 1 0 367.493 2.919 20 10 FFCDRO CC1(C)NC(=O)Nc2cc(N(Cc3ccccc3)C3(C[NH3+])COC3)ccc21 ZINC001167378318 962525644 /nfs/dbraw/zinc/52/56/44/962525644.db2.gz MBBHOCXIVNHGFC-UHFFFAOYSA-N 1 0 366.465 2.791 20 10 FFCDRO C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245564 962558680 /nfs/dbraw/zinc/55/86/80/962558680.db2.gz GPYLACRVZXQNJQ-ZMYBRWDISA-N 1 0 369.513 2.561 20 10 FFCDRO C/C(=C/c1ccncc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246969 962570719 /nfs/dbraw/zinc/57/07/19/962570719.db2.gz RCCBXJAZGHBRDI-FZWACIFYSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nc2C2CCC2)[NH+](C)C)cc1 ZINC000891247086 962570896 /nfs/dbraw/zinc/57/08/96/962570896.db2.gz HFVIVGXTFADPAQ-LJQANCHMSA-N 1 0 369.513 2.786 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c[nH]nc3c2)[NH+](C)C)cc1 ZINC000891249677 962586453 /nfs/dbraw/zinc/58/64/53/962586453.db2.gz VPLMLUIHTSAJLH-FQEVSTJZSA-N 1 0 365.481 2.591 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)c2)[NH+](C)C)cc1 ZINC000891248713 962589012 /nfs/dbraw/zinc/58/90/12/962589012.db2.gz NGDYDRZPDXPAHV-IBGZPJMESA-N 1 0 368.481 2.763 20 10 FFCDRO Cc1ccncc1/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248695 962589300 /nfs/dbraw/zinc/58/93/00/962589300.db2.gz NAGIJIDESIZQSG-WUQYLLKWSA-N 1 0 352.482 2.888 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/C2(C)CCOCC2)[NH+](C)C)cc1 ZINC000891250517 962593019 /nfs/dbraw/zinc/59/30/19/962593019.db2.gz WLPFNZBSINQRHU-VYENPZKTSA-N 1 0 359.514 2.844 20 10 FFCDRO Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250032 962595320 /nfs/dbraw/zinc/59/53/20/962595320.db2.gz YBOHLFHCTTTXNR-KRWDZBQOSA-N 1 0 357.502 2.940 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891253083 962606199 /nfs/dbraw/zinc/60/61/99/962606199.db2.gz QINNYPWTRZOLGW-SFHVURJKSA-N 1 0 374.416 2.833 20 10 FFCDRO CCn1nc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891254288 962613300 /nfs/dbraw/zinc/61/33/00/962613300.db2.gz YESSNUYXIBTPRH-GOSISDBHSA-N 1 0 357.502 2.619 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc([S@](C)=O)cc2)[NH+](C)C)cc1 ZINC000891255979 962618691 /nfs/dbraw/zinc/61/86/91/962618691.db2.gz UPATWEXQIVLHEK-BCHFMIIMSA-N 1 0 373.522 2.523 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4ncoc(=O)c4c3)cc2)CC1 ZINC001167434064 963176217 /nfs/dbraw/zinc/17/62/17/963176217.db2.gz ACGZPLVQXROLNM-UHFFFAOYSA-N 1 0 350.422 2.552 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)[C@H](O)CCO4)cc2)CC1 ZINC001167434333 963178132 /nfs/dbraw/zinc/17/81/32/963178132.db2.gz JIUYQRNEJGWTFN-HXUWFJFHSA-N 1 0 353.466 2.866 20 10 FFCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206245782 1013443408 /nfs/dbraw/zinc/44/34/08/1013443408.db2.gz ZVIKHJKXCLBFQZ-LBPRGKRZSA-N 1 0 358.282 2.799 20 10 FFCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001206245779 1013443537 /nfs/dbraw/zinc/44/35/37/1013443537.db2.gz ZVIKHJKXCLBFQZ-GFCCVEGCSA-N 1 0 358.282 2.799 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)C3(C[NH3+])CCCCC3)CC2)cc1 ZINC000891487779 964379032 /nfs/dbraw/zinc/37/90/32/964379032.db2.gz GQWRIQRNEDKZFM-UHFFFAOYSA-N 1 0 374.529 2.967 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000894365623 965030308 /nfs/dbraw/zinc/03/03/08/965030308.db2.gz DZXXQONSWOHJAQ-KRWDZBQOSA-N 1 0 354.450 2.848 20 10 FFCDRO Cn1ncc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1C1CC1 ZINC000894844063 965877510 /nfs/dbraw/zinc/87/75/10/965877510.db2.gz WCGKSIUAPWWVAH-UHFFFAOYSA-N 1 0 362.424 2.702 20 10 FFCDRO CCOC(=O)c1ccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)nc1 ZINC000828031624 965942780 /nfs/dbraw/zinc/94/27/80/965942780.db2.gz OHPWQWSLAACLIL-UHFFFAOYSA-N 1 0 373.428 2.728 20 10 FFCDRO COc1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)c(O)c1OC ZINC000894896168 966118399 /nfs/dbraw/zinc/11/83/99/966118399.db2.gz JMRZRVMKQKPLQJ-UHFFFAOYSA-N 1 0 353.422 2.923 20 10 FFCDRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161389987 966922660 /nfs/dbraw/zinc/92/26/60/966922660.db2.gz GBQLFAROSZEDDK-PXNSSMCTSA-N 1 0 359.514 2.792 20 10 FFCDRO CCc1cccc(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)c1O ZINC000894917180 967097655 /nfs/dbraw/zinc/09/76/55/967097655.db2.gz DFWNAIQXRKLWBY-UHFFFAOYSA-N 1 0 355.438 2.751 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)cc1 ZINC001176486421 1013712470 /nfs/dbraw/zinc/71/24/70/1013712470.db2.gz VMCBWQHMGTUOQW-OAQYLSRUSA-N 1 0 360.498 2.813 20 10 FFCDRO CCn1cc([C@@H](C)NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000895249155 968751656 /nfs/dbraw/zinc/75/16/56/968751656.db2.gz PMFPLCQSQNGMIB-BEFAXECRSA-N 1 0 372.517 2.632 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c(O)c1OC ZINC000892453319 968849986 /nfs/dbraw/zinc/84/99/86/968849986.db2.gz UVJXDIJPKOOTND-UHFFFAOYSA-N 1 0 363.410 2.725 20 10 FFCDRO CN1C(=O)C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000125255647 1013951534 /nfs/dbraw/zinc/95/15/34/1013951534.db2.gz LNRZKPVQYQBVLS-LIRRHRJNSA-N 1 0 374.824 2.836 20 10 FFCDRO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895477220 970657311 /nfs/dbraw/zinc/65/73/11/970657311.db2.gz SBEIWOPIDVBYNI-YJYMSZOUSA-N 1 0 361.438 2.938 20 10 FFCDRO CN(C)c1ccc(/C=C/CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000895550339 970746480 /nfs/dbraw/zinc/74/64/80/970746480.db2.gz HDSHHPHSDCKYTI-VOTSOKGWSA-N 1 0 370.541 2.572 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N(C)C2CC[NH2+]CC2)CCCC1 ZINC000653045438 1014215707 /nfs/dbraw/zinc/21/57/07/1014215707.db2.gz MSXQMMPIQCWEDT-UHFFFAOYSA-N 1 0 355.482 2.739 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000653051983 1014216194 /nfs/dbraw/zinc/21/61/94/1014216194.db2.gz QJZOZJQUZMSPAS-KSSFIOAISA-N 1 0 355.482 2.724 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCOC1 ZINC000162829578 975322764 /nfs/dbraw/zinc/32/27/64/975322764.db2.gz DXQBASAFBNMAHL-NQIIRXRSSA-N 1 0 361.530 2.612 20 10 FFCDRO COC[C@H](CC1CCOCC1)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898447778 976468669 /nfs/dbraw/zinc/46/86/69/976468669.db2.gz LXFXBUGOYVQRDL-PZJWPPBQSA-N 1 0 363.546 2.777 20 10 FFCDRO COC1(C[C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000759969243 976476686 /nfs/dbraw/zinc/47/66/86/976476686.db2.gz ILZBAYGYLDSLGU-FUHWJXTLSA-N 1 0 359.514 2.826 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899146893 976960861 /nfs/dbraw/zinc/96/08/61/976960861.db2.gz CDCLLOGTEFXXBG-UHFFFAOYSA-N 1 0 359.514 2.600 20 10 FFCDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728737 1014367708 /nfs/dbraw/zinc/36/77/08/1014367708.db2.gz UHNVQNFOFZOJGR-LJQANCHMSA-N 1 0 367.497 2.646 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](CC3CC3)C3CCC3)CC2)cc1 ZINC000796576599 1014376812 /nfs/dbraw/zinc/37/68/12/1014376812.db2.gz KMHQOYWJEMKFGV-UHFFFAOYSA-N 1 0 357.498 2.608 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](CC)CN1C(C)=O ZINC000876771358 1014386078 /nfs/dbraw/zinc/38/60/78/1014386078.db2.gz XRMUKMXPFVJCNC-WOJBJXKFSA-N 1 0 373.541 2.869 20 10 FFCDRO O[C@H](C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1)C(F)(F)F ZINC000876778319 1014388974 /nfs/dbraw/zinc/38/89/74/1014388974.db2.gz BGQNHEGNSICTJI-GOSISDBHSA-N 1 0 372.431 2.783 20 10 FFCDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(N4CCSCC4)cc3)C2)c1 ZINC000876943975 1014427145 /nfs/dbraw/zinc/42/71/45/1014427145.db2.gz WXGQSXSNKFQHAV-UHFFFAOYSA-N 1 0 373.482 2.838 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000876965911 1014435089 /nfs/dbraw/zinc/43/50/89/1014435089.db2.gz NEQDALDIVSUBPX-FQEVSTJZSA-N 1 0 354.494 2.589 20 10 FFCDRO O=C(CC1CCCCC1)NCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877032019 1014456567 /nfs/dbraw/zinc/45/65/67/1014456567.db2.gz GHJQWKDEAIWYTO-UHFFFAOYSA-N 1 0 373.541 2.824 20 10 FFCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C)o1 ZINC000877061123 1014464070 /nfs/dbraw/zinc/46/40/70/1014464070.db2.gz YIAVLAWTKDRKCY-OAQYLSRUSA-N 1 0 358.482 2.855 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1nccc1-c1ccncc1 ZINC000729265076 978222783 /nfs/dbraw/zinc/22/27/83/978222783.db2.gz UDNFRYRUSJXVBB-UHFFFAOYSA-N 1 0 363.465 2.871 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000178867700 978254058 /nfs/dbraw/zinc/25/40/58/978254058.db2.gz WGXQETBTVOTPGM-QRWLVFNGSA-N 1 0 371.456 2.819 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)cc1F ZINC000178867833 978255693 /nfs/dbraw/zinc/25/56/93/978255693.db2.gz JLIPFAAKJVUVNG-OAHLLOKOSA-N 1 0 363.477 2.509 20 10 FFCDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877127280 1014480932 /nfs/dbraw/zinc/48/09/32/1014480932.db2.gz CVSXNENHLYPBHF-QFIPXVFZSA-N 1 0 370.493 2.870 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)ccc21 ZINC000877273561 1014533948 /nfs/dbraw/zinc/53/39/48/1014533948.db2.gz FJNGHXKKIUVQDF-UYAOXDASSA-N 1 0 355.482 2.871 20 10 FFCDRO COCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000654089607 1014568682 /nfs/dbraw/zinc/56/86/82/1014568682.db2.gz ADFCVKLAVVUDTG-UHFFFAOYSA-N 1 0 369.509 2.951 20 10 FFCDRO O=C(N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2)c1ccc(O)c(O)c1 ZINC001272002653 979493529 /nfs/dbraw/zinc/49/35/29/979493529.db2.gz IRYAXDXNOHVLNG-UXHICEINSA-N 1 0 355.438 2.791 20 10 FFCDRO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877441358 1014583457 /nfs/dbraw/zinc/58/34/57/1014583457.db2.gz HLGICSKZYRTGQZ-UHFFFAOYSA-N 1 0 365.477 2.909 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001279149187 979714900 /nfs/dbraw/zinc/71/49/00/979714900.db2.gz ALOWUYVWEXKGNE-OAQYLSRUSA-N 1 0 361.530 2.661 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000877493490 1014597980 /nfs/dbraw/zinc/59/79/80/1014597980.db2.gz CMVNKPKKJQUSTI-JBYIUTFZSA-N 1 0 374.525 2.806 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3COc4ccc(F)cc4C3)cc2)CC1 ZINC000877537213 1014616719 /nfs/dbraw/zinc/61/67/19/1014616719.db2.gz IVTVWSJURMYINA-SFHVURJKSA-N 1 0 356.441 2.880 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000905456060 980447238 /nfs/dbraw/zinc/44/72/38/980447238.db2.gz FGFCLJHDEGTRAI-LJQANCHMSA-N 1 0 359.514 2.604 20 10 FFCDRO CCN(CC)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1F ZINC000877747528 1014705994 /nfs/dbraw/zinc/70/59/94/1014705994.db2.gz PGMJBJHKVHYDIL-UHFFFAOYSA-N 1 0 362.537 2.884 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC2(CCOCC2)O1 ZINC000877923459 1014769785 /nfs/dbraw/zinc/76/97/85/1014769785.db2.gz PZZRSWMYJMMTGP-HXUWFJFHSA-N 1 0 360.498 2.683 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC000877984132 1014798040 /nfs/dbraw/zinc/79/80/40/1014798040.db2.gz AKVUILITRFQOEG-IBGZPJMESA-N 1 0 362.514 2.511 20 10 FFCDRO CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000841956580 982467157 /nfs/dbraw/zinc/46/71/57/982467157.db2.gz CFMDAIIVJACNJM-HXUWFJFHSA-N 1 0 352.482 2.727 20 10 FFCDRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)c(O)c1OC ZINC000897860557 982548988 /nfs/dbraw/zinc/54/89/88/982548988.db2.gz WFVMIZHYKMVJJO-UHFFFAOYSA-N 1 0 357.406 2.960 20 10 FFCDRO CCCn1nccc1NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878240182 1014939884 /nfs/dbraw/zinc/93/98/84/1014939884.db2.gz DLXGDUCJUKYDBM-QGZVFWFLSA-N 1 0 372.469 2.618 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3[nH]c(C(F)F)nc32)cc1 ZINC000911665890 983863060 /nfs/dbraw/zinc/86/30/60/983863060.db2.gz FSDGLVZPFWKPPC-CQSZACIVSA-N 1 0 373.407 2.996 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CCOc3ccccc32)cc1 ZINC000911667095 983864038 /nfs/dbraw/zinc/86/40/38/983864038.db2.gz MSHKPNGCYFEGFE-NQIIRXRSSA-N 1 0 353.466 2.609 20 10 FFCDRO CNC(=O)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000072964055 983962842 /nfs/dbraw/zinc/96/28/42/983962842.db2.gz LSMRXAWLVLCTFQ-IBGZPJMESA-N 1 0 354.450 2.933 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(O)CCOCC2)ccc1N1CCCCC1 ZINC000796465143 1015095554 /nfs/dbraw/zinc/09/55/54/1015095554.db2.gz HOUYDPLWGXRQKN-UHFFFAOYSA-N 1 0 363.458 2.606 20 10 FFCDRO COc1ccc2c(c1)N(Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000765652572 985267483 /nfs/dbraw/zinc/26/74/83/985267483.db2.gz PHDBHTUIUPEVDH-UHFFFAOYSA-N 1 0 353.466 2.846 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC000999423197 986502400 /nfs/dbraw/zinc/50/24/00/986502400.db2.gz TXHDWDHILHOCEP-KZNAEPCWSA-N 1 0 368.481 2.611 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000999773551 986608943 /nfs/dbraw/zinc/60/89/43/986608943.db2.gz YWASLUFIIZQQEC-OTWHNJEPSA-N 1 0 360.498 2.899 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176466142 987341667 /nfs/dbraw/zinc/34/16/67/987341667.db2.gz WJSQRMQKIQVWPP-MOPGFXCFSA-N 1 0 356.514 2.837 20 10 FFCDRO Cn1c(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)nc2cc(F)ccc21 ZINC000076894398 987381143 /nfs/dbraw/zinc/38/11/43/987381143.db2.gz KTIRNQVZGQHEAZ-UHFFFAOYSA-N 1 0 368.456 2.881 20 10 FFCDRO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000153371641 987925191 /nfs/dbraw/zinc/92/51/91/987925191.db2.gz GRLXQBFVAJQLOC-SFHVURJKSA-N 1 0 361.530 2.989 20 10 FFCDRO O=c1[nH]c2cccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)c2o1 ZINC000922262264 988273636 /nfs/dbraw/zinc/27/36/36/988273636.db2.gz GPRHSEVIWPFPCZ-UHFFFAOYSA-N 1 0 353.422 2.784 20 10 FFCDRO C[NH+](C)CC[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000922630171 988767421 /nfs/dbraw/zinc/76/74/21/988767421.db2.gz OBMDPVGNEFFLAV-NRFANRHFSA-N 1 0 354.498 2.701 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000915807795 988923256 /nfs/dbraw/zinc/92/32/56/988923256.db2.gz MUGJOTXNLXFVDD-UHFFFAOYSA-N 1 0 357.410 2.940 20 10 FFCDRO CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc2c(cc1O)OCO2 ZINC000915810065 988924994 /nfs/dbraw/zinc/92/49/94/988924994.db2.gz HWSJSCIRTYCIAH-UHFFFAOYSA-N 1 0 358.394 2.590 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCC[C@@H]1C(C)C)cc2=O ZINC000763052012 989003775 /nfs/dbraw/zinc/00/37/75/989003775.db2.gz OWZNPRMURFUVGV-GDBMZVCRSA-N 1 0 360.458 2.916 20 10 FFCDRO COc1ccc(N2CCCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000917088098 990126555 /nfs/dbraw/zinc/12/65/55/990126555.db2.gz OHZXYNOAHVVJJA-UHFFFAOYSA-N 1 0 365.437 2.853 20 10 FFCDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000706083033 990528746 /nfs/dbraw/zinc/52/87/46/990528746.db2.gz UXQAUSNQBXDOAE-OXJNMPFZSA-N 1 0 355.482 2.644 20 10 FFCDRO CNC(=O)CCCN(C)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000154997234 990659203 /nfs/dbraw/zinc/65/92/03/990659203.db2.gz WDLHYYZTJDQZIQ-UHFFFAOYSA-N 1 0 359.445 2.874 20 10 FFCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000708483130 990659634 /nfs/dbraw/zinc/65/96/34/990659634.db2.gz ZWWXYYPZXFBCHT-UHFFFAOYSA-N 1 0 362.420 2.787 20 10 FFCDRO OCCO[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183063396 992353684 /nfs/dbraw/zinc/35/36/84/992353684.db2.gz HCFSQMMYVIMTHX-HXUWFJFHSA-N 1 0 357.450 2.945 20 10 FFCDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809714087 994591294 /nfs/dbraw/zinc/59/12/94/994591294.db2.gz XWPCUPFJXBMEJS-KRWDZBQOSA-N 1 0 363.477 2.543 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C1CCOCC1 ZINC000747622725 994867730 /nfs/dbraw/zinc/86/77/30/994867730.db2.gz VSXYSKRREMNDNY-FQEVSTJZSA-N 1 0 366.461 2.929 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CCN1C1CCOCC1 ZINC000747624257 994870283 /nfs/dbraw/zinc/87/02/83/994870283.db2.gz LLPFLRYYPFRLGC-FQEVSTJZSA-N 1 0 357.498 2.546 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCCSC1 ZINC000810659098 994881263 /nfs/dbraw/zinc/88/12/63/994881263.db2.gz MYTUGIKIALLSDM-LJQANCHMSA-N 1 0 373.566 2.978 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)ccc21 ZINC000812333878 995406816 /nfs/dbraw/zinc/40/68/16/995406816.db2.gz KJFIUEOJEMNYJF-RBUKOAKNSA-N 1 0 369.509 2.928 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)cc1C ZINC001082875875 995692904 /nfs/dbraw/zinc/69/29/04/995692904.db2.gz RGPCJOSTOZWOPQ-TZMCWYRMSA-N 1 0 363.845 2.895 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c(C)noc3C)C[C@H]2C)cc1C ZINC001082915684 995815608 /nfs/dbraw/zinc/81/56/08/995815608.db2.gz MNATVWRKNGQKGC-AUUYWEPGSA-N 1 0 371.481 2.788 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC12COC2 ZINC000824483514 996958126 /nfs/dbraw/zinc/95/81/26/996958126.db2.gz NUCIBJYVHSECJU-LJQANCHMSA-N 1 0 358.482 2.688 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000824694492 997057292 /nfs/dbraw/zinc/05/72/92/997057292.db2.gz RGVPPLLNHQJJBO-SCTDSRPQSA-N 1 0 374.529 2.646 20 10 FFCDRO CC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCC[NH2+]1 ZINC000844172650 997693289 /nfs/dbraw/zinc/69/32/89/997693289.db2.gz LORGGUHZYKWPSK-QEEYODRMSA-N 1 0 363.477 2.588 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccnc2N2CCCCC2)cc1 ZINC000844162936 997706123 /nfs/dbraw/zinc/70/61/23/997706123.db2.gz PKGDTIOUPBWSEM-IBGZPJMESA-N 1 0 367.497 2.568 20 10 FFCDRO COCCN(C(C)=O)c1nc(CN2CCCc3cc(C[NH3+])ccc32)cs1 ZINC000844220628 997711251 /nfs/dbraw/zinc/71/12/51/997711251.db2.gz ZJQFOUFVXNPQQR-UHFFFAOYSA-N 1 0 374.510 2.554 20 10 FFCDRO O=C1[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000826889644 1016169048 /nfs/dbraw/zinc/16/90/48/1016169048.db2.gz XXJYJMQNLAOICB-CALCHBBNSA-N 1 0 370.836 2.663 20 10 FFCDRO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000732202726 998545206 /nfs/dbraw/zinc/54/52/06/998545206.db2.gz FJBQUKAEXVURRR-AWEZNQCLSA-N 1 0 356.422 2.946 20 10 FFCDRO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514802 998626602 /nfs/dbraw/zinc/62/66/02/998626602.db2.gz SLUKXBHLHDKPMZ-NWDGAFQWSA-N 1 0 352.431 2.681 20 10 FFCDRO CN(Cc1cn(-c2ccccc2)nn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410541 998660015 /nfs/dbraw/zinc/66/00/15/998660015.db2.gz DBNMGRYVKUIMRR-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)CC1 ZINC000733330619 998964659 /nfs/dbraw/zinc/96/46/59/998964659.db2.gz FLZYJZSARFMIEZ-UHFFFAOYSA-N 1 0 369.490 2.693 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000734276305 999253342 /nfs/dbraw/zinc/25/33/42/999253342.db2.gz YATGWHZPOFTPTP-GOSISDBHSA-N 1 0 356.514 2.959 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)cc(OC)n3)cc2F)CC1 ZINC000735487506 999431679 /nfs/dbraw/zinc/43/16/79/999431679.db2.gz MANJDWBYTAOANG-UHFFFAOYSA-N 1 0 359.449 2.687 20 10 FFCDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000740758641 999681526 /nfs/dbraw/zinc/68/15/26/999681526.db2.gz FNQVPAUDDDSMNP-AWEZNQCLSA-N 1 0 357.406 2.932 20 10 FFCDRO CN(C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000743392938 999816725 /nfs/dbraw/zinc/81/67/25/999816725.db2.gz DQXZEWCHBVENGV-AWEZNQCLSA-N 1 0 364.442 2.952 20 10 FFCDRO C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000766854446 1000079882 /nfs/dbraw/zinc/07/98/82/1000079882.db2.gz IOERFTPYMLCBGH-UWJYYQICSA-N 1 0 371.525 2.507 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cccc(OC)c3O)C2=O)cc1 ZINC000846151798 1000210555 /nfs/dbraw/zinc/21/05/55/1000210555.db2.gz HJBZSTXAPQJDBN-KBXCAEBGSA-N 1 0 370.449 2.861 20 10 FFCDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768440785 1000248365 /nfs/dbraw/zinc/24/83/65/1000248365.db2.gz DSZBVFVXEJAIAL-GOEBONIOSA-N 1 0 360.458 2.671 20 10 FFCDRO CC[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000768533418 1000288097 /nfs/dbraw/zinc/28/80/97/1000288097.db2.gz OJNDTIBDAURUGB-SFTDATJTSA-N 1 0 371.525 2.792 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1CCSC1 ZINC000768731833 1000333973 /nfs/dbraw/zinc/33/39/73/1000333973.db2.gz NETGIUCAGYQZJI-SFHVURJKSA-N 1 0 374.554 2.523 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000846663214 1000408343 /nfs/dbraw/zinc/40/83/43/1000408343.db2.gz FILUTPDGRFXFKZ-SFHVURJKSA-N 1 0 354.429 2.732 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)c1ccc(N(C)C)cc1 ZINC000846860623 1000461138 /nfs/dbraw/zinc/46/11/38/1000461138.db2.gz KSOHLROQJJPFDF-YWZLYKJASA-N 1 0 363.502 2.775 20 10 FFCDRO COc1cccc2c1nc(NCc1ccc(N3CC[NH+](C)CC3)cc1)n2C ZINC000769763519 1000591107 /nfs/dbraw/zinc/59/11/07/1000591107.db2.gz PGNFCSAUHZAIQQ-UHFFFAOYSA-N 1 0 365.481 2.946 20 10 FFCDRO Cc1cnccc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000770010915 1000643664 /nfs/dbraw/zinc/64/36/64/1000643664.db2.gz QCLJRNSQROKAFJ-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO CNC(=O)CCOC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000770286692 1000730038 /nfs/dbraw/zinc/73/00/38/1000730038.db2.gz QCAXPVLMNGISKM-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccc(F)cn1 ZINC000771380324 1001082110 /nfs/dbraw/zinc/08/21/10/1001082110.db2.gz FVJRUCPOZJLPRM-ZBFHGGJFSA-N 1 0 356.445 2.773 20 10 FFCDRO CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086964133 1001339122 /nfs/dbraw/zinc/33/91/22/1001339122.db2.gz OPTJSGYCDKPZLX-RBUKOAKNSA-N 1 0 370.497 2.621 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cnccc3C)CC2)cc1 ZINC000772445809 1001396164 /nfs/dbraw/zinc/39/61/64/1001396164.db2.gz JCEFXHAIMLXLGT-SFHVURJKSA-N 1 0 354.498 2.871 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n1C ZINC000785523615 1001448393 /nfs/dbraw/zinc/44/83/93/1001448393.db2.gz XDTNWGRZGHDRHQ-UHFFFAOYSA-N 1 0 370.453 2.882 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787305527 1001683610 /nfs/dbraw/zinc/68/36/10/1001683610.db2.gz ZQPPBOUJXDQGEY-AERCQKQUSA-N 1 0 368.525 2.816 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(O)c1 ZINC000788505911 1001813436 /nfs/dbraw/zinc/81/34/36/1001813436.db2.gz LBJJWWKCDDDUND-HNNXBMFYSA-N 1 0 359.470 2.914 20 10 FFCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@H]2C1 ZINC001204341221 1001837413 /nfs/dbraw/zinc/83/74/13/1001837413.db2.gz BFASASYEBCLGTQ-OKILXGFUSA-N 1 0 369.303 2.937 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c2cc(F)ccc2n1C ZINC001182500450 1001937183 /nfs/dbraw/zinc/93/71/83/1001937183.db2.gz SRFGYCPPMXDUST-SCLBCKFNSA-N 1 0 359.445 2.630 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000774652856 1002324584 /nfs/dbraw/zinc/32/45/84/1002324584.db2.gz PRWFZJZFLIDBDH-KRWDZBQOSA-N 1 0 362.470 2.606 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c(O)c1 ZINC000791011381 1002543063 /nfs/dbraw/zinc/54/30/63/1002543063.db2.gz RKYRXAGYXFKKPE-IBGZPJMESA-N 1 0 354.450 2.990 20 10 FFCDRO OCC[C@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1CO ZINC001184363751 1002567555 /nfs/dbraw/zinc/56/75/55/1002567555.db2.gz BUMFOTCTBZVDFG-FCHUYYIVSA-N 1 0 366.505 2.672 20 10 FFCDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)O1 ZINC000774826944 1002797113 /nfs/dbraw/zinc/79/71/13/1002797113.db2.gz YMEGRWAOHVMWJP-QUCCMNQESA-N 1 0 354.450 2.785 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000792892436 1003221600 /nfs/dbraw/zinc/22/16/00/1003221600.db2.gz DEDSTALGPSPJIB-WIYYLYMNSA-N 1 0 361.530 2.755 20 10 FFCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 ZINC000793042660 1003263222 /nfs/dbraw/zinc/26/32/22/1003263222.db2.gz ICGPRHZKRCTAKB-HXUWFJFHSA-N 1 0 366.509 2.814 20 10 FFCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCCOC1 ZINC000793087585 1003274335 /nfs/dbraw/zinc/27/43/35/1003274335.db2.gz ZHLKFULWWNKXIX-QGZVFWFLSA-N 1 0 374.403 2.973 20 10 FFCDRO CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793761160 1003483462 /nfs/dbraw/zinc/48/34/62/1003483462.db2.gz SZQYOPGFALKZJQ-DYESRHJHSA-N 1 0 373.541 2.896 20 10 FFCDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793734247 1003486147 /nfs/dbraw/zinc/48/61/47/1003486147.db2.gz SVOLKTUGYGKTDV-YJYMSZOUSA-N 1 0 358.413 2.668 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)CC2)cc1 ZINC000775678156 1003633349 /nfs/dbraw/zinc/63/33/49/1003633349.db2.gz MUTBCTWKIZYWHQ-SQGPQFPESA-N 1 0 359.514 2.758 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3CCCCC3(C)C)CC2)cc1 ZINC000775683033 1003635529 /nfs/dbraw/zinc/63/55/29/1003635529.db2.gz OSZHEUFPPANGQM-IBGZPJMESA-N 1 0 359.514 2.902 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804812301 1003857475 /nfs/dbraw/zinc/85/74/75/1003857475.db2.gz GUWXKGXIGJXWAP-AFDQWNBZSA-N 1 0 359.426 2.844 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)Nc3cccnc3C[NH3+])cs2)cc1 ZINC001193179223 1004408513 /nfs/dbraw/zinc/40/85/13/1004408513.db2.gz KALMPOYDQJGNHG-UHFFFAOYSA-N 1 0 353.451 2.982 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H](N)c2ccccc2O)C1 ZINC001170519471 1004531457 /nfs/dbraw/zinc/53/14/57/1004531457.db2.gz MYFGBDKTRMCSDD-UYVJDWJCSA-N 1 0 370.449 2.770 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N(C)C)cc1 ZINC000775833434 1004545805 /nfs/dbraw/zinc/54/58/05/1004545805.db2.gz IVXFRUMTWWURJE-LBPRGKRZSA-N 1 0 353.426 2.624 20 10 FFCDRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834453 1004570426 /nfs/dbraw/zinc/57/04/26/1004570426.db2.gz ONNAEUQPKUJVSA-HNNXBMFYSA-N 1 0 368.481 2.792 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000807549047 1004621973 /nfs/dbraw/zinc/62/19/73/1004621973.db2.gz MCHDLXSTRYUIQV-IBGZPJMESA-N 1 0 374.529 2.791 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)n1-c1ccccc1C ZINC000808161432 1004765667 /nfs/dbraw/zinc/76/56/67/1004765667.db2.gz YHVFGKVUBPCRFQ-RBUKOAKNSA-N 1 0 367.493 2.684 20 10 FFCDRO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850069401 1005783027 /nfs/dbraw/zinc/78/30/27/1005783027.db2.gz MUIIOWAKYQVKCW-JOCHJYFZSA-N 1 0 368.477 2.981 20 10 FFCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850252267 1005799748 /nfs/dbraw/zinc/79/97/48/1005799748.db2.gz OXQWSPLDUQJQID-MSOLQXFVSA-N 1 0 367.486 2.608 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 ZINC000850395641 1005813117 /nfs/dbraw/zinc/81/31/17/1005813117.db2.gz JNAFVAOOWOFQLK-FEVQIYFRSA-N 1 0 355.526 2.999 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c3ccccc3)C2)cc1 ZINC000850487485 1005818331 /nfs/dbraw/zinc/81/83/31/1005818331.db2.gz HDSKDAIVDLIGKX-IAGOWNOFSA-N 1 0 374.506 2.726 20 10 FFCDRO COc1ccc(N2C[C@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)CC2=O)cc1 ZINC000850515312 1005820013 /nfs/dbraw/zinc/82/00/13/1005820013.db2.gz KEHKCAWFVUWFKW-UONOGXRCSA-N 1 0 356.422 2.866 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000850752642 1005835932 /nfs/dbraw/zinc/83/59/32/1005835932.db2.gz RCJJABDMCFBCPD-QGZVFWFLSA-N 1 0 354.454 2.815 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)cc1 ZINC000851937363 1005924399 /nfs/dbraw/zinc/92/43/99/1005924399.db2.gz OTJXRTZEEGJNQS-HNNXBMFYSA-N 1 0 374.529 2.882 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852776985 1006177798 /nfs/dbraw/zinc/17/77/98/1006177798.db2.gz FUWGYWXANYXWGX-NRFANRHFSA-N 1 0 365.477 2.716 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852776987 1006178132 /nfs/dbraw/zinc/17/81/32/1006178132.db2.gz FUWGYWXANYXWGX-OAQYLSRUSA-N 1 0 365.477 2.716 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC000852792986 1006186294 /nfs/dbraw/zinc/18/62/94/1006186294.db2.gz LDGQOAMOBSBZEE-UHFFFAOYSA-N 1 0 371.506 2.755 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCc3cccnc3Cl)cc2)CC1 ZINC000881854333 1006244825 /nfs/dbraw/zinc/24/48/25/1006244825.db2.gz CDHAAESPAAILHK-UHFFFAOYSA-N 1 0 372.900 2.736 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(F)cccc1F ZINC000853122061 1006304927 /nfs/dbraw/zinc/30/49/27/1006304927.db2.gz LSXWSWJDZBJFIG-LJQANCHMSA-N 1 0 362.420 2.749 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1F ZINC000853122972 1006305888 /nfs/dbraw/zinc/30/58/88/1006305888.db2.gz WXRBTBYHEMLHAM-FQEVSTJZSA-N 1 0 362.420 2.749 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+](C)C3CCCCC3)C2)cc1 ZINC000853585822 1006459701 /nfs/dbraw/zinc/45/97/01/1006459701.db2.gz JQURSNHDZJHOEA-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)ccc1N(C)C ZINC000815140591 1006528163 /nfs/dbraw/zinc/52/81/63/1006528163.db2.gz CFEAIVQAOFUQQZ-NRFANRHFSA-N 1 0 351.494 2.994 20 10 FFCDRO CCS(=O)(=O)c1ccccc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880382 1006546261 /nfs/dbraw/zinc/54/62/61/1006546261.db2.gz OVCBMRTXVXVSOB-UHFFFAOYSA-N 1 0 373.522 2.844 20 10 FFCDRO OC1CCN(c2ccc(CNc3[nH]c4cc5c(cc4[nH+]3)OCO5)cc2)CC1 ZINC000883215448 1006706904 /nfs/dbraw/zinc/70/69/04/1006706904.db2.gz YTLTWCRBNVZHFA-UHFFFAOYSA-N 1 0 366.421 2.865 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C2)cc1 ZINC000854297474 1006762816 /nfs/dbraw/zinc/76/28/16/1006762816.db2.gz OSBAUYIUCHSALT-INIZCTEOSA-N 1 0 362.518 2.694 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1C ZINC000748051701 1006940625 /nfs/dbraw/zinc/94/06/25/1006940625.db2.gz WNOQQHXFFQWKAH-CALCHBBNSA-N 1 0 373.541 2.631 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775254854 1007096319 /nfs/dbraw/zinc/09/63/19/1007096319.db2.gz JZEDZRAEKGTDSP-TVRKMHQQSA-N 1 0 359.514 2.869 20 10 FFCDRO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816519208 1007098293 /nfs/dbraw/zinc/09/82/93/1007098293.db2.gz BTZZSFKDVPSDTN-KRWDZBQOSA-N 1 0 367.493 2.674 20 10 FFCDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc(C(=O)OC)c1 ZINC000775370561 1007545827 /nfs/dbraw/zinc/54/58/27/1007545827.db2.gz HWCYUEVHXHWBAM-LBPRGKRZSA-N 1 0 373.405 2.825 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000817375843 1007567740 /nfs/dbraw/zinc/56/77/40/1007567740.db2.gz SSMCKZQMWIWMKW-MRRJBJDNSA-N 1 0 363.454 2.618 20 10 FFCDRO COc1cc(O)c(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000817406464 1007590663 /nfs/dbraw/zinc/59/06/63/1007590663.db2.gz SRXZGWAVXWGNOD-UHFFFAOYSA-N 1 0 372.465 2.978 20 10 FFCDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c2ccccc2C1 ZINC000817942795 1007821258 /nfs/dbraw/zinc/82/12/58/1007821258.db2.gz RANRCGWWKVFFPH-FCHUYYIVSA-N 1 0 366.509 2.836 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn(-c4ccccc4)nn3)C2)cc1 ZINC000818219147 1007886330 /nfs/dbraw/zinc/88/63/30/1007886330.db2.gz CHSWSDBXQZNVKM-KRWDZBQOSA-N 1 0 363.465 2.892 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC001191269884 1007951870 /nfs/dbraw/zinc/95/18/70/1007951870.db2.gz ZJSDZTPJMZEOPH-DOTOQJQBSA-N 1 0 372.303 2.889 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC001191269885 1007951926 /nfs/dbraw/zinc/95/19/26/1007951926.db2.gz ZJSDZTPJMZEOPH-NVXWUHKLSA-N 1 0 372.303 2.889 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C[NH3+])C3CCCCC3)C2)cc1 ZINC000818654682 1007960290 /nfs/dbraw/zinc/96/02/90/1007960290.db2.gz FFBYTFOHUQZCCO-OXQOHEQNSA-N 1 0 374.529 2.728 20 10 FFCDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094953 1008032456 /nfs/dbraw/zinc/03/24/56/1008032456.db2.gz PCIPSBIMBRJNJS-SFHVURJKSA-N 1 0 369.421 2.501 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819076900 1008037977 /nfs/dbraw/zinc/03/79/77/1008037977.db2.gz HAGUWMIWTNFYOZ-FQEVSTJZSA-N 1 0 358.482 2.737 20 10 FFCDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819076752 1008038178 /nfs/dbraw/zinc/03/81/78/1008038178.db2.gz FRDNLNSJAIBHAG-HXUWFJFHSA-N 1 0 371.481 2.549 20 10 FFCDRO C[C@@H]1CCC[C@](CN2C(=O)CN(Cc3ccccc3O)C2=O)([NH+](C)C)C1 ZINC000819165311 1008054379 /nfs/dbraw/zinc/05/43/79/1008054379.db2.gz TYUYKKUBCYTKOJ-QRWLVFNGSA-N 1 0 359.470 2.667 20 10 FFCDRO O[C@@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000819358274 1008107479 /nfs/dbraw/zinc/10/74/79/1008107479.db2.gz BTTVKMUHSHYRRN-SFHVURJKSA-N 1 0 366.383 2.764 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000819380385 1008128280 /nfs/dbraw/zinc/12/82/80/1008128280.db2.gz PUZAMEDZCMBKST-PXNSSMCTSA-N 1 0 358.457 2.854 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2Cn2cncn2)cc1F ZINC000858095943 1008300515 /nfs/dbraw/zinc/30/05/15/1008300515.db2.gz WLDIXPHLXOTTEI-UHFFFAOYSA-N 1 0 357.408 2.960 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCC[N@@H+](C)CC2)ccc1C ZINC000858122897 1008305451 /nfs/dbraw/zinc/30/54/51/1008305451.db2.gz KRYLZFNSVBFPIC-UHFFFAOYSA-N 1 0 353.466 2.993 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000858765956 1008418455 /nfs/dbraw/zinc/41/84/55/1008418455.db2.gz TWSDAFNYFRZCDL-QGZVFWFLSA-N 1 0 362.518 2.505 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000859288504 1008497519 /nfs/dbraw/zinc/49/75/19/1008497519.db2.gz YYSBODLTXIASDI-QGZVFWFLSA-N 1 0 353.466 2.978 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000859380450 1008509193 /nfs/dbraw/zinc/50/91/93/1008509193.db2.gz ZGQAPDIWWSDSTJ-KRWDZBQOSA-N 1 0 353.466 2.930 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000773698817 1008705588 /nfs/dbraw/zinc/70/55/88/1008705588.db2.gz CGSWXGCAEHHALQ-PMACEKPBSA-N 1 0 373.541 2.850 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCCOC1 ZINC000886751440 1008859753 /nfs/dbraw/zinc/85/97/53/1008859753.db2.gz QSYMDOQWYDJOAS-AZUAARDMSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886748905 1008860165 /nfs/dbraw/zinc/86/01/65/1008860165.db2.gz CHDUXEQHVUOZQW-INIZCTEOSA-N 1 0 352.482 2.943 20 10 FFCDRO C/C=C/C[C@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000860182717 1008879036 /nfs/dbraw/zinc/87/90/36/1008879036.db2.gz BLQLUVSMUMVQJN-KQIUPUNMSA-N 1 0 358.442 2.790 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823235322 1008959213 /nfs/dbraw/zinc/95/92/13/1008959213.db2.gz RBEAFTQZKBGSCM-SJORKVTESA-N 1 0 362.518 2.551 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CC3([NH+](C)C)CCC3)C2)cc1 ZINC000823725865 1009206819 /nfs/dbraw/zinc/20/68/19/1009206819.db2.gz JNCZSFOZDNQXLL-QGZVFWFLSA-N 1 0 374.529 2.647 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000773795359 1009233859 /nfs/dbraw/zinc/23/38/59/1009233859.db2.gz ODNGDLYRVYHHBY-UHFFFAOYSA-N 1 0 351.450 2.871 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CC2C[NH+](C)C2)ccc1C ZINC000862185735 1009737740 /nfs/dbraw/zinc/73/77/40/1009737740.db2.gz CBPBJLIFNKZQAV-UHFFFAOYSA-N 1 0 353.466 2.849 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)NCc2cccnc2)cc1F ZINC000152114979 1009754271 /nfs/dbraw/zinc/75/42/71/1009754271.db2.gz JMGCPBKZIWRPEN-UHFFFAOYSA-N 1 0 358.461 2.863 20 10 FFCDRO Oc1c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)ccc2ccccc21 ZINC000862536291 1009869155 /nfs/dbraw/zinc/86/91/55/1009869155.db2.gz JILKJJJTARAAKA-FQEVSTJZSA-N 1 0 363.461 2.931 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C(=O)NCc3cc(C)ccc3O)cc2)CC1 ZINC000862759581 1009961977 /nfs/dbraw/zinc/96/19/77/1009961977.db2.gz GTEQHXNHZGJACQ-UHFFFAOYSA-N 1 0 353.466 2.773 20 10 FFCDRO CN(CC1CC1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000119097983 1009993363 /nfs/dbraw/zinc/99/33/63/1009993363.db2.gz GXGDOTVLMKCBRY-UHFFFAOYSA-N 1 0 356.514 2.770 20 10 FFCDRO CC[NH+]1CCN(CCC(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000863165551 1010121718 /nfs/dbraw/zinc/12/17/18/1010121718.db2.gz FIOQUZDOGZLUAQ-UHFFFAOYSA-N 1 0 368.525 2.738 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2C)cc1C ZINC001093608941 1010368159 /nfs/dbraw/zinc/36/81/59/1010368159.db2.gz IJSVKIPPOQVNNX-VQIMIIECSA-N 1 0 360.498 2.614 20 10 FFCDRO c1ccc(CN2CC[C@H]2C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000716227404 1011165173 /nfs/dbraw/zinc/16/51/73/1011165173.db2.gz HUIROZGZUXQXGQ-QFIPXVFZSA-N 1 0 351.494 2.887 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868710905 1011435395 /nfs/dbraw/zinc/43/53/95/1011435395.db2.gz NRKBBYXNQMRXII-QRFRQXIXSA-N 1 0 358.530 2.728 20 10 FFCDRO O=C(C[C@@H]1CCCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122311074 1011488613 /nfs/dbraw/zinc/48/86/13/1011488613.db2.gz KCLVUYWUXRFCPL-NRFANRHFSA-N 1 0 371.525 2.794 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001172218558 1011697527 /nfs/dbraw/zinc/69/75/27/1011697527.db2.gz XWKXOQSDARWFHB-PRJVBOEPSA-N 1 0 359.514 2.507 20 10 FFCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796319267 1011920248 /nfs/dbraw/zinc/92/02/48/1011920248.db2.gz GVXIVOSWDGNADK-FQEVSTJZSA-N 1 0 370.518 2.916 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3cnoc3)CC2)c1 ZINC001275239205 1012128398 /nfs/dbraw/zinc/12/83/98/1012128398.db2.gz RWKYWLCNKBACEL-QGZVFWFLSA-N 1 0 355.438 2.607 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1O ZINC001275245005 1012138833 /nfs/dbraw/zinc/13/88/33/1012138833.db2.gz VHSAWLNIOFPVRN-GOSISDBHSA-N 1 0 354.397 2.623 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(O)c2O)c1F ZINC001173182703 1012326589 /nfs/dbraw/zinc/32/65/89/1012326589.db2.gz KNPMCRAIARTFMK-SNVBAGLBSA-N 1 0 350.346 2.875 20 10 FFCDRO COC(C)(C)CN1CCC2(CC[NH+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275387155 1012400584 /nfs/dbraw/zinc/40/05/84/1012400584.db2.gz ACQWOTBONXCTGF-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000796384279 1012567282 /nfs/dbraw/zinc/56/72/82/1012567282.db2.gz NOFOOENHQRIZIZ-FXAWDEMLSA-N 1 0 361.530 2.727 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001275598478 1012676110 /nfs/dbraw/zinc/67/61/10/1012676110.db2.gz PGTKUMRJZPXNOP-OAQYLSRUSA-N 1 0 359.514 2.604 20 10 FFCDRO O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001275671651 1012814882 /nfs/dbraw/zinc/81/48/82/1012814882.db2.gz ISYNQUPOQPKRPE-QGZVFWFLSA-N 1 0 372.387 2.865 20 10 FFCDRO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccc(O)cc1O ZINC001275673521 1012822836 /nfs/dbraw/zinc/82/28/36/1012822836.db2.gz ZUDAKVNFIBESOO-MRXNPFEDSA-N 1 0 358.360 2.617 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)c(O)c(OC)c1 ZINC001275675226 1012832286 /nfs/dbraw/zinc/83/22/86/1012832286.db2.gz BKMZOCVRNWKZFD-XOBRGWDASA-N 1 0 362.470 2.862 20 10 FFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001275771024 1012987877 /nfs/dbraw/zinc/98/78/77/1012987877.db2.gz KFFPPWXCSIGSHD-QZTJIDSGSA-N 1 0 360.498 2.999 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC[N@H+](Cc3c(C)ccc(C)c3O)C2)OCC1=O ZINC001275771758 1012989930 /nfs/dbraw/zinc/98/99/30/1012989930.db2.gz RZESQEXIPJCSPV-OAQYLSRUSA-N 1 0 358.482 2.779 20 10 FFCDRO CCN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CC[N@H+](C)C1 ZINC000888583973 1013021372 /nfs/dbraw/zinc/02/13/72/1013021372.db2.gz SKCKEADWKQYEQY-HNNXBMFYSA-N 1 0 364.453 2.954 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCOCC3)cc2)C1 ZINC000924727319 1017452255 /nfs/dbraw/zinc/45/22/55/1017452255.db2.gz FBFWAEHOTBYMEI-PZJWPPBQSA-N 1 0 371.525 2.683 20 10 FFCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000777568283 1017798551 /nfs/dbraw/zinc/79/85/51/1017798551.db2.gz YEAJUSODOZJXJQ-NSHDSACASA-N 1 0 374.403 2.896 20 10 FFCDRO Cc1nonc1[C@@H](C)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925676385 1017814042 /nfs/dbraw/zinc/81/40/42/1017814042.db2.gz IQBKVCSKTAKTRM-OAHLLOKOSA-N 1 0 355.486 2.761 20 10 FFCDRO C[C@@H]([NH3+])[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000925776461 1017847683 /nfs/dbraw/zinc/84/76/83/1017847683.db2.gz HJWRGOKJFCXJSH-IERDGZPVSA-N 1 0 366.509 2.566 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000827662357 1018602695 /nfs/dbraw/zinc/60/26/95/1018602695.db2.gz PXGOOSKMBBKSAO-UHFFFAOYSA-N 1 0 360.498 2.671 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000801598141 1019159529 /nfs/dbraw/zinc/15/95/29/1019159529.db2.gz VKSQXKLMBIXYAV-KRWDZBQOSA-N 1 0 356.470 2.923 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000801635559 1019192610 /nfs/dbraw/zinc/19/26/10/1019192610.db2.gz UPAMYCYKLBHSNA-UHFFFAOYSA-N 1 0 359.474 2.985 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000929152657 1019292152 /nfs/dbraw/zinc/29/21/52/1019292152.db2.gz CGJZWBIYIHROMQ-UNMCSNQZSA-N 1 0 370.493 2.692 20 10 FFCDRO CC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000387853970 1019509486 /nfs/dbraw/zinc/50/94/86/1019509486.db2.gz DHNXFTRTIYQVTG-QGZVFWFLSA-N 1 0 363.502 2.916 20 10 FFCDRO Nc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390955660 1019911370 /nfs/dbraw/zinc/91/13/70/1019911370.db2.gz VEWGOCGXWIXSCH-IBGZPJMESA-N 1 0 354.454 2.681 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2)CC1 ZINC000187401221 1020223899 /nfs/dbraw/zinc/22/38/99/1020223899.db2.gz NPWNBCIXPVQGAZ-UHFFFAOYSA-N 1 0 369.425 2.571 20 10 FFCDRO CN(C)c1ccc([C@H](CN2C(=O)CN(C3CCCC3)C2=O)[NH+](C)C)cc1 ZINC000900184753 1020248993 /nfs/dbraw/zinc/24/89/93/1020248993.db2.gz GBKBOBPBDFNZLM-SFHVURJKSA-N 1 0 358.486 2.562 20 10 FFCDRO CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000900187963 1020253325 /nfs/dbraw/zinc/25/33/25/1020253325.db2.gz NHPRPBDBLOIMOZ-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCC[NH2+]C[C@H]1F)C(=O)c1ccccc1C2=O ZINC001217947977 1032914369 /nfs/dbraw/zinc/91/43/69/1032914369.db2.gz LDXFAEIGYVOMNX-NVXWUHKLSA-N 1 0 369.392 2.945 20 10 FFCDRO COc1ccc2c(c1O[C@H]1C[NH2+]CC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217961073 1032921395 /nfs/dbraw/zinc/92/13/95/1032921395.db2.gz YBLRFJKORBNUHR-HOCLYGCPSA-N 1 0 355.365 2.549 20 10 FFCDRO C[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903201807 1020736462 /nfs/dbraw/zinc/73/64/62/1020736462.db2.gz NWBIJEOTKKQCKK-OAHLLOKOSA-N 1 0 358.461 2.974 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000903390313 1020819401 /nfs/dbraw/zinc/81/94/01/1020819401.db2.gz UQAUNPHDMZMEAE-DNVCBOLYSA-N 1 0 364.461 2.651 20 10 FFCDRO O=C([C@@H]1C[NH2+]Cc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002466 1032940063 /nfs/dbraw/zinc/94/00/63/1032940063.db2.gz AWFRWLRRBGBENO-AZUAARDMSA-N 1 0 366.461 2.787 20 10 FFCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000933564460 1021033073 /nfs/dbraw/zinc/03/30/73/1021033073.db2.gz OBUKKHBWDXDKFD-SFHVURJKSA-N 1 0 356.470 2.669 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCCCNC(=O)CC3)cc2)CC1 ZINC000934157721 1021154345 /nfs/dbraw/zinc/15/43/45/1021154345.db2.gz YYYTURUTTTWKEP-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc4c(c3)OCO4)cc2F)CC1 ZINC001116437522 1021215601 /nfs/dbraw/zinc/21/56/01/1021215601.db2.gz OYBBYRQSLKINEW-UHFFFAOYSA-N 1 0 371.456 2.938 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218116274 1033004319 /nfs/dbraw/zinc/00/43/19/1033004319.db2.gz JDPYZVNJLYCJEP-VGOFRKELSA-N 1 0 363.413 2.997 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)C[NH2+]CC2 ZINC001118127697 1022079318 /nfs/dbraw/zinc/07/93/18/1022079318.db2.gz MULFHPHJRCHUNV-UHFFFAOYSA-N 1 0 367.518 2.816 20 10 FFCDRO O=C(c1ccc2c(c1)C[NH2+]CC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001118199230 1022114776 /nfs/dbraw/zinc/11/47/76/1022114776.db2.gz DVZZEOXEQKFJAY-FQEVSTJZSA-N 1 0 366.461 2.859 20 10 FFCDRO COc1ccc(OC)c2c1C[N@H+](Cc1cc3c(cc1O)CCC3)C[C@H]2O ZINC000042093609 1022136757 /nfs/dbraw/zinc/13/67/57/1022136757.db2.gz HZVFOJZBPIOGIA-GOSISDBHSA-N 1 0 355.434 2.947 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1(CF)CCC1 ZINC001118281878 1022158039 /nfs/dbraw/zinc/15/80/39/1022158039.db2.gz ONQNYZNONWFJQS-UHFFFAOYSA-N 1 0 359.489 2.975 20 10 FFCDRO COc1ccc([C@@H]2CC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 ZINC000155282051 1022235359 /nfs/dbraw/zinc/23/53/59/1022235359.db2.gz ZYWFYIPOSDKMJQ-LJQANCHMSA-N 1 0 367.493 2.867 20 10 FFCDRO CCCCCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159825209 1022807633 /nfs/dbraw/zinc/80/76/33/1022807633.db2.gz RQFJDOZAISMKPW-UHFFFAOYSA-N 1 0 364.486 2.928 20 10 FFCDRO CC(C)[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000829296832 1033085381 /nfs/dbraw/zinc/08/53/81/1033085381.db2.gz OZYAQQFUUBZKAV-ICSRJNTNSA-N 1 0 359.514 2.506 20 10 FFCDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000752074740 1023049080 /nfs/dbraw/zinc/04/90/80/1023049080.db2.gz GWAFSKVLMBSKLJ-WIYYLYMNSA-N 1 0 361.530 2.846 20 10 FFCDRO CC(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276781556 1033106822 /nfs/dbraw/zinc/10/68/22/1033106822.db2.gz XZGIHESTYWORMZ-HXUWFJFHSA-N 1 0 362.470 2.664 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(O)c1C ZINC000756460175 1023714239 /nfs/dbraw/zinc/71/42/39/1023714239.db2.gz OZXAAFOLCRINFF-GJZGRUSLSA-N 1 0 359.422 2.828 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000756482921 1023718033 /nfs/dbraw/zinc/71/80/33/1023718033.db2.gz LBCUWBLPVZYGKL-XHSDSOJGSA-N 1 0 364.486 2.719 20 10 FFCDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756587820 1023731814 /nfs/dbraw/zinc/73/18/14/1023731814.db2.gz CSBXEIVDRWDZEB-HOTGVXAUSA-N 1 0 358.461 2.788 20 10 FFCDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000756902153 1023767057 /nfs/dbraw/zinc/76/70/57/1023767057.db2.gz QEIVFFDOIBPZNZ-PKOBYXMFSA-N 1 0 374.506 2.867 20 10 FFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000757793718 1023861325 /nfs/dbraw/zinc/86/13/25/1023861325.db2.gz AXOWRAIALRIWNC-YWZLYKJASA-N 1 0 356.514 2.909 20 10 FFCDRO COCCN(CC[NH+](C)C)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000078508452 1023862554 /nfs/dbraw/zinc/86/25/54/1023862554.db2.gz SUABHYAJANBBSX-UHFFFAOYSA-N 1 0 361.461 2.883 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4c(O)cccc4F)CC[N@@H+]3C2)n1 ZINC001137834405 1033168773 /nfs/dbraw/zinc/16/87/73/1033168773.db2.gz FKFOPJFQUXKFKY-ZWKOTPCHSA-N 1 0 371.456 2.710 20 10 FFCDRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000779542996 1024025349 /nfs/dbraw/zinc/02/53/49/1024025349.db2.gz BKRJHWABRXHPIP-NRFANRHFSA-N 1 0 357.498 2.835 20 10 FFCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192356984 1024091980 /nfs/dbraw/zinc/09/19/80/1024091980.db2.gz UVQMCHPPSVJLMX-LJQANCHMSA-N 1 0 371.437 2.681 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121988796 1024240722 /nfs/dbraw/zinc/24/07/22/1024240722.db2.gz MRPBLPIIJSHFHY-YJYMSZOUSA-N 1 0 365.424 2.515 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079458769 1024272412 /nfs/dbraw/zinc/27/24/12/1024272412.db2.gz TYJGLFREUDHYLC-QGZVFWFLSA-N 1 0 374.554 2.523 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(CC)CC ZINC000759442187 1024610154 /nfs/dbraw/zinc/61/01/54/1024610154.db2.gz YAGAUQFZLKGRLS-RBUKOAKNSA-N 1 0 361.530 2.942 20 10 FFCDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)ccn1 ZINC001141146185 1025523433 /nfs/dbraw/zinc/52/34/33/1025523433.db2.gz NPWXTSWCMPOIBD-QGZVFWFLSA-N 1 0 355.438 2.572 20 10 FFCDRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141157849 1025537689 /nfs/dbraw/zinc/53/76/89/1025537689.db2.gz NHAGTPJJPJVYLB-UHFFFAOYSA-N 1 0 367.449 2.508 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1 ZINC001141157385 1025537706 /nfs/dbraw/zinc/53/77/06/1025537706.db2.gz GUFZWPDIMNXIEO-CTNGQTDRSA-N 1 0 370.449 2.943 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159713 1025542338 /nfs/dbraw/zinc/54/23/38/1025542338.db2.gz ISMZGGVKGVAWPN-SFHVURJKSA-N 1 0 352.434 2.594 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001141160197 1025542544 /nfs/dbraw/zinc/54/25/44/1025542544.db2.gz RXTZPFLXSIVMKI-SFHLNBCPSA-N 1 0 370.449 2.832 20 10 FFCDRO CC[N@@H+](Cc1cc(O)ccc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001141162904 1025546687 /nfs/dbraw/zinc/54/66/87/1025546687.db2.gz KEGDJHILYKULNE-HXUWFJFHSA-N 1 0 356.466 2.821 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000837321507 1025723349 /nfs/dbraw/zinc/72/33/49/1025723349.db2.gz WQOGPLAJGNIECR-UHFFFAOYSA-N 1 0 371.525 2.746 20 10 FFCDRO Cn1cnc2cc(C[NH2+]Cc3cc(F)c(N4CCOCC4)c(F)c3)ccc21 ZINC000839146484 1026605861 /nfs/dbraw/zinc/60/58/61/1026605861.db2.gz JRAQOIZMSGLRDL-UHFFFAOYSA-N 1 0 372.419 2.978 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CN4CCOC4=O)C3)c2c1 ZINC000840094067 1026953422 /nfs/dbraw/zinc/95/34/22/1026953422.db2.gz FLGACMIDGDCNCD-CQSZACIVSA-N 1 0 356.422 2.828 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000840479831 1027089045 /nfs/dbraw/zinc/08/90/45/1027089045.db2.gz RXIAGFPSQKZTHT-YLJYHZDGSA-N 1 0 358.530 2.872 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cncn4C)C3)C2)cc1 ZINC001204382322 1028093013 /nfs/dbraw/zinc/09/30/13/1028093013.db2.gz JCXPAQQWMPHJBE-OAQYLSRUSA-N 1 0 370.497 2.548 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000249522588 1028170735 /nfs/dbraw/zinc/17/07/35/1028170735.db2.gz OUFGKSFEXDVMFS-UYAOXDASSA-N 1 0 357.450 2.813 20 10 FFCDRO O=C([C@@H]1CCCC[NH2+]C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532093 1028219077 /nfs/dbraw/zinc/21/90/77/1028219077.db2.gz NBUCFZXDPLFBAO-CQSZACIVSA-N 1 0 371.403 2.624 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161583901 1028240163 /nfs/dbraw/zinc/24/01/63/1028240163.db2.gz XJZIEFNOFAHVEH-SOFGYWHQSA-N 1 0 364.445 2.775 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3cncc(Cl)n3)cc2)CC1 ZINC001156656968 1029290593 /nfs/dbraw/zinc/29/05/93/1029290593.db2.gz FNHRFHYAEPGFJA-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cn1ncc2ccccc2c1=O ZINC000840936984 1029933902 /nfs/dbraw/zinc/93/39/02/1029933902.db2.gz PONJBEXQJCXIGY-MRXNPFEDSA-N 1 0 350.466 2.949 20 10 FFCDRO OC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCCOC1 ZINC000840964584 1029947346 /nfs/dbraw/zinc/94/73/46/1029947346.db2.gz YFOYWVJPKTVMKX-UYAOXDASSA-N 1 0 357.450 2.848 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000841005743 1029971269 /nfs/dbraw/zinc/97/12/69/1029971269.db2.gz HWSOOPXGLBRAOV-UHFFFAOYSA-N 1 0 366.465 2.510 20 10 FFCDRO [NH3+]CC(=O)N1CCC[C@H](CN2CCCc3cc(OC(F)(F)F)ccc32)C1 ZINC000841011295 1029973531 /nfs/dbraw/zinc/97/35/31/1029973531.db2.gz HNAOOGOUPHADJW-CYBMUJFWSA-N 1 0 371.403 2.535 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000841016878 1029978492 /nfs/dbraw/zinc/97/84/92/1029978492.db2.gz QPEJLUOEDJPVMH-OAHLLOKOSA-N 1 0 368.481 2.807 20 10 FFCDRO CCOc1c(OC)cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841043471 1029997300 /nfs/dbraw/zinc/99/73/00/1029997300.db2.gz ONLJQKDMECBEGP-SFHVURJKSA-N 1 0 373.497 2.958 20 10 FFCDRO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000841044630 1029998308 /nfs/dbraw/zinc/99/83/08/1029998308.db2.gz DXRHJRQGYHTZBD-BFYDXBDKSA-N 1 0 369.456 2.709 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841304050 1030174542 /nfs/dbraw/zinc/17/45/42/1030174542.db2.gz HDJHCCMCEUMLJH-UHFFFAOYSA-N 1 0 354.454 2.646 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1F ZINC000841326803 1030199236 /nfs/dbraw/zinc/19/92/36/1030199236.db2.gz ZCNGMYPJSQWMHM-UHFFFAOYSA-N 1 0 360.408 2.998 20 10 FFCDRO C[NH+](C)CCc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC001142234711 1030202969 /nfs/dbraw/zinc/20/29/69/1030202969.db2.gz DGQDCHFXNURMOG-UHFFFAOYSA-N 1 0 367.493 2.557 20 10 FFCDRO O=C(/C=C\c1ccc[nH]1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000783693430 1030236862 /nfs/dbraw/zinc/23/68/62/1030236862.db2.gz NZXORKAVKFHTDI-YFHOEESVSA-N 1 0 364.493 2.876 20 10 FFCDRO COC[C@@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@H](C)O1 ZINC000783970296 1030372229 /nfs/dbraw/zinc/37/22/29/1030372229.db2.gz ZPQITYZWFLOPBO-ZFWWWQNUSA-N 1 0 359.422 2.568 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000841793937 1030471392 /nfs/dbraw/zinc/47/13/92/1030471392.db2.gz SAFPQWLOUITUQD-MOPGFXCFSA-N 1 0 356.514 2.959 20 10 FFCDRO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843950 1030499017 /nfs/dbraw/zinc/49/90/17/1030499017.db2.gz QMXVAPZHNWVTMM-KGLIPLIRSA-N 1 0 370.444 2.554 20 10 FFCDRO CCC[NH2+]CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843952 1030499111 /nfs/dbraw/zinc/49/91/11/1030499111.db2.gz QNKBPVJTWVSATE-AWEZNQCLSA-N 1 0 370.444 2.556 20 10 FFCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841864326 1030507756 /nfs/dbraw/zinc/50/77/56/1030507756.db2.gz XGVISFPFCOUJFI-MRXNPFEDSA-N 1 0 367.497 2.731 20 10 FFCDRO C[C@H](NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841880463 1030518540 /nfs/dbraw/zinc/51/85/40/1030518540.db2.gz AEGLWRYBZFNKCW-CWFSZBLJSA-N 1 0 374.529 2.742 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2ncc(C)c(C3C[NH2+]C3)n2)C1 ZINC001166816749 1030531348 /nfs/dbraw/zinc/53/13/48/1030531348.db2.gz MOJUEHNJGPKXOZ-UHFFFAOYSA-N 1 0 363.465 2.535 20 10 FFCDRO [NH3+][C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000841950181 1030558840 /nfs/dbraw/zinc/55/88/40/1030558840.db2.gz QWPZLGJJGBDLDO-RBUKOAKNSA-N 1 0 369.465 2.783 20 10 FFCDRO O=C(c1ccsc1)N1C[C@H]2C[NH+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1 ZINC001142517332 1030567168 /nfs/dbraw/zinc/56/71/68/1030567168.db2.gz JGLDJOAVQFKYTJ-ZIAGYGMSSA-N 1 0 364.417 2.936 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(F)c(F)cc3O)CC2)C1 ZINC001142531499 1030581289 /nfs/dbraw/zinc/58/12/89/1030581289.db2.gz ZLRSEMHJPJPOHD-CYBMUJFWSA-N 1 0 368.424 2.520 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2CCCN(c3ncccc3F)CC2)c1O ZINC000784400559 1030602809 /nfs/dbraw/zinc/60/28/09/1030602809.db2.gz YPBBENZAIXNFAX-UHFFFAOYSA-N 1 0 361.392 2.980 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001203552127 1030758721 /nfs/dbraw/zinc/75/87/21/1030758721.db2.gz BOTPDJLPEWOZJP-RTWAWAEBSA-N 1 0 352.478 2.910 20 10 FFCDRO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]21)c1ccsc1 ZINC001203552145 1030759315 /nfs/dbraw/zinc/75/93/15/1030759315.db2.gz CBSOFRRXLQXFDQ-VDZJLULYSA-N 1 0 372.490 2.721 20 10 FFCDRO COCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561376 1030766463 /nfs/dbraw/zinc/76/64/63/1030766463.db2.gz TVPBWOODGMQPID-INIZCTEOSA-N 1 0 350.459 2.850 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c1O ZINC001203608055 1030783143 /nfs/dbraw/zinc/78/31/43/1030783143.db2.gz HCAOIJYZQXTAAX-UHFFFAOYSA-N 1 0 368.481 2.782 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c(O)c1 ZINC001203623213 1030790896 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354.450 2.678 20 10 FFCDRO O=C(c1cccnc1)N1C[C@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC001203657396 1030810425 /nfs/dbraw/zinc/81/04/25/1030810425.db2.gz DJMXANSISMWSGG-HZPDHXFCSA-N 1 0 357.841 2.645 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1O ZINC001203876701 1030950470 /nfs/dbraw/zinc/95/04/70/1030950470.db2.gz HZSUFYSBRLGZBU-SFHVURJKSA-N 1 0 370.449 2.833 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1O ZINC001203878323 1030952432 /nfs/dbraw/zinc/95/24/32/1030952432.db2.gz RNIWPWDWBMGJMF-GHTZIAJQSA-N 1 0 370.449 2.833 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)N1Cc1ccncc1 ZINC001203877525 1030953559 /nfs/dbraw/zinc/95/35/59/1030953559.db2.gz HQGLCAWVPSDAFY-OAQYLSRUSA-N 1 0 367.449 2.650 20 10 FFCDRO Cc1cccc2nc(CC[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cn21 ZINC000842782639 1030954767 /nfs/dbraw/zinc/95/47/67/1030954767.db2.gz RYYSORBLENVWEB-UHFFFAOYSA-N 1 0 368.456 2.951 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c2ccccc21 ZINC001204240190 1031182188 /nfs/dbraw/zinc/18/21/88/1031182188.db2.gz KVTHKNZJHMDRTA-UHFFFAOYSA-N 1 0 368.525 2.502 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c(O)c1 ZINC001204273459 1031198220 /nfs/dbraw/zinc/19/82/20/1031198220.db2.gz BXGARMXDHSCKEK-LSBZLQRGSA-N 1 0 356.422 2.551 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c(O)c1 ZINC001204274810 1031201893 /nfs/dbraw/zinc/20/18/93/1031201893.db2.gz UAJBBQZLGPQBMV-NLWGTHIKSA-N 1 0 356.422 2.694 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(O)c1 ZINC001204277862 1031204810 /nfs/dbraw/zinc/20/48/10/1031204810.db2.gz MXSQHPYONDXXBL-CYBMUJFWSA-N 1 0 369.343 2.950 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204328646 1031228927 /nfs/dbraw/zinc/22/89/27/1031228927.db2.gz LKLKFTBYECIVMA-UHFFFAOYSA-N 1 0 368.481 2.718 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc4n[nH]cc43)CC2)cc1 ZINC001143099537 1031230787 /nfs/dbraw/zinc/23/07/87/1031230787.db2.gz QXAFVTLDTQKMSZ-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC001204340090 1031235058 /nfs/dbraw/zinc/23/50/58/1031235058.db2.gz BRABTGPYFJBWKP-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1ccc(CC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C[C@H](C)O)cc1 ZINC001204341718 1031236737 /nfs/dbraw/zinc/23/67/37/1031236737.db2.gz FTFMEFGFWKNJJW-AWEZNQCLSA-N 1 0 361.438 2.541 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1O ZINC001204343009 1031237005 /nfs/dbraw/zinc/23/70/05/1031237005.db2.gz WLUVODCOXHLLRH-RISCZKNCSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(CN2CCC(N3C(=O)Cc4ccccc43)CC2)cc(O)c1O ZINC001204342211 1031238361 /nfs/dbraw/zinc/23/83/61/1031238361.db2.gz KHXXAWKQKAQBRE-UHFFFAOYSA-N 1 0 368.433 2.660 20 10 FFCDRO COc1cc(Br)cc(CN2CCC([NH+]3CCC3)CC2)c1O ZINC001204340248 1031238803 /nfs/dbraw/zinc/23/88/03/1031238803.db2.gz JHGKYADAHACPDU-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(O)c1O ZINC001204344439 1031239837 /nfs/dbraw/zinc/23/98/37/1031239837.db2.gz HJHGLFVUBFKXNI-UHFFFAOYSA-N 1 0 360.429 2.953 20 10 FFCDRO CN(C1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1)S(C)(=O)=O ZINC001143110328 1031240283 /nfs/dbraw/zinc/24/02/83/1031240283.db2.gz CYUSLJXCQQIHBD-UHFFFAOYSA-N 1 0 354.516 2.546 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346024 1031242243 /nfs/dbraw/zinc/24/22/43/1031242243.db2.gz JQNJJRMABWFQEH-ZDUSSCGKSA-N 1 0 366.458 2.795 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@H](OC)c3ccccc3)CC2)cc(O)c1O ZINC001204348945 1031245369 /nfs/dbraw/zinc/24/53/69/1031245369.db2.gz LOTNFFBBWSSHMD-FQEVSTJZSA-N 1 0 372.465 2.612 20 10 FFCDRO CC[N@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cc(O)c(O)c(OC)c1 ZINC001204349739 1031246061 /nfs/dbraw/zinc/24/60/61/1031246061.db2.gz WOYJPVUXTLOKFO-UHFFFAOYSA-N 1 0 354.447 2.795 20 10 FFCDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCc2cc(C[NH3+])ccc21 ZINC000843349577 1031342701 /nfs/dbraw/zinc/34/27/01/1031342701.db2.gz DXOHXORAKCEHEY-ZDUSSCGKSA-N 1 0 354.410 2.833 20 10 FFCDRO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350873 1031343711 /nfs/dbraw/zinc/34/37/11/1031343711.db2.gz ZYFIMGNLTZTLKW-AWEZNQCLSA-N 1 0 366.465 2.884 20 10 FFCDRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350582 1031345102 /nfs/dbraw/zinc/34/51/02/1031345102.db2.gz POPRCUVXTHHTAQ-CYBMUJFWSA-N 1 0 370.428 2.774 20 10 FFCDRO C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000798387402 1031385297 /nfs/dbraw/zinc/38/52/97/1031385297.db2.gz GSLDMEQNJGXDKP-GOSISDBHSA-N 1 0 374.529 2.712 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000843484989 1031423271 /nfs/dbraw/zinc/42/32/71/1031423271.db2.gz GBBKQSSOLJIXLQ-MRXNPFEDSA-N 1 0 355.486 2.603 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000843487233 1031425124 /nfs/dbraw/zinc/42/51/24/1031425124.db2.gz BRBBPFRJHGXWPP-WAOWUJCRSA-N 1 0 359.514 2.634 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)C1 ZINC000798926229 1031586093 /nfs/dbraw/zinc/58/60/93/1031586093.db2.gz ISHBSDODYFLMTG-AZUAARDMSA-N 1 0 364.493 2.951 20 10 FFCDRO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001151082277 1031852242 /nfs/dbraw/zinc/85/22/42/1031852242.db2.gz IMKDLRSFGPYLFS-ORYQWCPZSA-N 1 0 371.525 2.506 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)[C@@H](O)CO2 ZINC000799944310 1031931904 /nfs/dbraw/zinc/93/19/04/1031931904.db2.gz ZJQPHPWGHBRBTR-LIRRHRJNSA-N 1 0 369.465 2.730 20 10 FFCDRO CCOC(=O)c1c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001205788942 1031995915 /nfs/dbraw/zinc/99/59/15/1031995915.db2.gz TWNBUYFTNWTKII-ZDUSSCGKSA-N 1 0 365.424 2.771 20 10 FFCDRO CCOCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276874785 1033350003 /nfs/dbraw/zinc/35/00/03/1033350003.db2.gz QNMSIHLFKLDNFJ-OAQYLSRUSA-N 1 0 359.514 2.746 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC000830545718 1033666586 /nfs/dbraw/zinc/66/65/86/1033666586.db2.gz MDGOXEIALYZJLF-HUUCEWRRSA-N 1 0 365.493 2.786 20 10 FFCDRO [NH3+]Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)co1 ZINC000830664877 1033732314 /nfs/dbraw/zinc/73/23/14/1033732314.db2.gz NBXPQXLDXDHTOZ-CYBMUJFWSA-N 1 0 365.380 2.739 20 10 FFCDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000830720426 1033763022 /nfs/dbraw/zinc/76/30/22/1033763022.db2.gz RZQISTLRTAABAR-MAUKXSAKSA-N 1 0 359.445 2.904 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3c(C)n(C)c4ccccc43)CC[C@H]21 ZINC001138253896 1034022747 /nfs/dbraw/zinc/02/27/47/1034022747.db2.gz KBYDDNBRHMRUIR-NHCUHLMSSA-N 1 0 355.482 2.698 20 10 FFCDRO Cc1c(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c2ccccc2n1C ZINC001138257960 1034029063 /nfs/dbraw/zinc/02/90/63/1034029063.db2.gz FRHQDIWLCUXBIF-UHFFFAOYSA-N 1 0 368.525 2.648 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c(OC)c1 ZINC001138391199 1034228546 /nfs/dbraw/zinc/22/85/46/1034228546.db2.gz CZMZMDIVVGNWKZ-SFHVURJKSA-N 1 0 356.470 2.985 20 10 FFCDRO Cc1cccnc1N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138497887 1034336177 /nfs/dbraw/zinc/33/61/77/1034336177.db2.gz NTSJUBLMDIAMMR-UHFFFAOYSA-N 1 0 366.509 2.939 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(N2CCOCC2)cc1 ZINC001138497617 1034336469 /nfs/dbraw/zinc/33/64/69/1034336469.db2.gz LEJULPDKAJBWKT-UHFFFAOYSA-N 1 0 358.438 2.682 20 10 FFCDRO Clc1ccnc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC001138498724 1034337915 /nfs/dbraw/zinc/33/79/15/1034337915.db2.gz BGMHNTYCAKDEMN-UHFFFAOYSA-N 1 0 372.900 2.894 20 10 FFCDRO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499843 1034342365 /nfs/dbraw/zinc/34/23/65/1034342365.db2.gz LLUIRBMJBTWRGK-FQEVSTJZSA-N 1 0 368.481 2.665 20 10 FFCDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC001138499931 1034343117 /nfs/dbraw/zinc/34/31/17/1034343117.db2.gz OZHUTYOJMZZKOO-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO COc1ccccc1C1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832278153 1034698125 /nfs/dbraw/zinc/69/81/25/1034698125.db2.gz BBIHNOTYTMTTFA-GOSISDBHSA-N 1 0 353.466 2.609 20 10 FFCDRO CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832280762 1034698884 /nfs/dbraw/zinc/69/88/84/1034698884.db2.gz QTDZOUWHPHVGMC-QRWLVFNGSA-N 1 0 369.465 2.539 20 10 FFCDRO CC(=O)c1cccc(O[C@H](C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832280758 1034699019 /nfs/dbraw/zinc/69/90/19/1034699019.db2.gz QTDZOUWHPHVGMC-FOIQADDNSA-N 1 0 369.465 2.539 20 10 FFCDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc2c1O[C@H](C)C2 ZINC000832292581 1034708307 /nfs/dbraw/zinc/70/83/07/1034708307.db2.gz JUKBIKBYVGITDG-ACJLOTCBSA-N 1 0 369.465 2.514 20 10 FFCDRO CCOC(=O)COc1ccccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001139136278 1034965969 /nfs/dbraw/zinc/96/59/69/1034965969.db2.gz DXZIKTYXYYBPPN-UHFFFAOYSA-N 1 0 371.433 2.988 20 10 FFCDRO COc1cc(CN2CC3(C2)CC(F)(F)CS3)cc(C[NH+](C)C)c1O ZINC001139259242 1035031684 /nfs/dbraw/zinc/03/16/84/1035031684.db2.gz OLJHZDFOCXCHHN-UHFFFAOYSA-N 1 0 358.454 2.789 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)ccc1N(C)C ZINC001139670646 1035193557 /nfs/dbraw/zinc/19/35/57/1035193557.db2.gz NVHZAVHLHDGTAM-OAQYLSRUSA-N 1 0 372.513 2.649 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(F)ccc3O)CC2)C1 ZINC001140063546 1035327638 /nfs/dbraw/zinc/32/76/38/1035327638.db2.gz SFWKTEPRGPHHNS-HNNXBMFYSA-N 1 0 364.461 2.771 20 10 FFCDRO Cc1cnc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)nc1 ZINC001140102221 1035342685 /nfs/dbraw/zinc/34/26/85/1035342685.db2.gz MEENWPFXNQICQX-LBPRGKRZSA-N 1 0 364.243 2.906 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC[C@@](O)(C(F)(F)F)C3)cc2)CC1 ZINC001140283399 1035418083 /nfs/dbraw/zinc/41/80/83/1035418083.db2.gz SCHWGPOVJWBLQO-SFHVURJKSA-N 1 0 372.431 2.927 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)c1 ZINC000834676353 1035427487 /nfs/dbraw/zinc/42/74/87/1035427487.db2.gz SAWXNWMSAPHRCD-ZWKOTPCHSA-N 1 0 368.433 2.792 20 10 FFCDRO 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CCOC(=O)c1c(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c2ccccc2n1C ZINC001233270643 1036478583 /nfs/dbraw/zinc/47/85/83/1036478583.db2.gz VGYSJVLXYWUBIO-AWEZNQCLSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(O)c4[nH]c(=O)ccc34)CC2)cc1 ZINC001233290871 1036495678 /nfs/dbraw/zinc/49/56/78/1036495678.db2.gz AMXREPFRNJCLMA-UHFFFAOYSA-N 1 0 365.433 2.977 20 10 FFCDRO Cc1ccc(C[N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC001140947705 1036540108 /nfs/dbraw/zinc/54/01/08/1036540108.db2.gz BPFRMZUGHWQXDF-MRXNPFEDSA-N 1 0 350.459 2.768 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001141026733 1036761878 /nfs/dbraw/zinc/76/18/78/1036761878.db2.gz AWJMDOIMPIQLDS-OXQOHEQNSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)CC(C)C)CC2)c(OC)c1 ZINC001141028520 1036767259 /nfs/dbraw/zinc/76/72/59/1036767259.db2.gz RXTAOFCPORZZAH-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076223 1036924658 /nfs/dbraw/zinc/92/46/58/1036924658.db2.gz NIFRNUIZBBPEFG-UHFFFAOYSA-N 1 0 373.541 2.702 20 10 FFCDRO O=C1NCCC2(CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)O1 ZINC001141078350 1036929567 /nfs/dbraw/zinc/92/95/67/1036929567.db2.gz UBVYASDSOXIVML-UHFFFAOYSA-N 1 0 355.482 2.850 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141078878 1036931190 /nfs/dbraw/zinc/93/11/90/1036931190.db2.gz MLFCELQVMIQSEO-OAQYLSRUSA-N 1 0 357.542 2.928 20 10 FFCDRO Oc1c(I)cccc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235129660 1037376357 /nfs/dbraw/zinc/37/63/57/1037376357.db2.gz NLXRWLPJCVDRRR-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001230859478 1037379138 /nfs/dbraw/zinc/37/91/38/1037379138.db2.gz ZZLWALRGFMCDOO-IRXDYDNUSA-N 1 0 362.518 2.694 20 10 FFCDRO Cc1cc(CN2CC[NH2+]C[C@]3(CCCC(=O)N3)C2)c(C)n1-c1ccccc1 ZINC001235178060 1037397350 /nfs/dbraw/zinc/39/73/50/1037397350.db2.gz URLNFZRIVKTMBB-JOCHJYFZSA-N 1 0 366.509 2.538 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cc(C)cnc3F)CC2)cc1 ZINC001235347001 1037492535 /nfs/dbraw/zinc/49/25/35/1037492535.db2.gz ZAZDTJBCHLBAFW-UHFFFAOYSA-N 1 0 359.445 2.877 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c2ccccc2n1C ZINC001235403341 1037529235 /nfs/dbraw/zinc/52/92/35/1037529235.db2.gz LCUSWPPTSOOPBS-GHTZIAJQSA-N 1 0 373.472 2.879 20 10 FFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277506657 1037534429 /nfs/dbraw/zinc/53/44/29/1037534429.db2.gz JHBWEYXIKFZKJH-GOSISDBHSA-N 1 0 370.852 2.788 20 10 FFCDRO O=C([O-])c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001231452235 1037591039 /nfs/dbraw/zinc/59/10/39/1037591039.db2.gz IBOQFAIRABMHGH-RTBURBONSA-N 1 0 352.434 2.654 20 10 FFCDRO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@H]21 ZINC001235678334 1037676751 /nfs/dbraw/zinc/67/67/51/1037676751.db2.gz BMSVULJIPURVEY-ZIFCJYIRSA-N 1 0 360.498 2.663 20 10 FFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(C(C)(C)C)cc1O)CCO2 ZINC001235679972 1037678807 /nfs/dbraw/zinc/67/88/07/1037678807.db2.gz ROJYJUUFRGMDID-NRFANRHFSA-N 1 0 360.498 2.903 20 10 FFCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCn3cnc(COCCO)c3C2)c(O)c1 ZINC001235683281 1037679256 /nfs/dbraw/zinc/67/92/56/1037679256.db2.gz SZTZMJDUTDYAHZ-UHFFFAOYSA-N 1 0 373.497 2.801 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c1O ZINC001231556642 1037680499 /nfs/dbraw/zinc/68/04/99/1037680499.db2.gz KSSLOIRDOYXSPA-GFCCVEGCSA-N 1 0 355.276 2.832 20 10 FFCDRO O=C([O-])c1ccc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001231565502 1037690047 /nfs/dbraw/zinc/69/00/47/1037690047.db2.gz YVRGXPAQBMCVHQ-RTBURBONSA-N 1 0 352.434 2.654 20 10 FFCDRO CC(=O)NCc1ncn2c1C[N@H+](Cc1c(O)ccc3ccccc31)CCC2 ZINC001231589106 1037708406 /nfs/dbraw/zinc/70/84/06/1037708406.db2.gz WOSGANDQBZHMQR-UHFFFAOYSA-N 1 0 364.449 2.784 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2c(O)ccc4ccccc42)C3)n1 ZINC001231588450 1037708590 /nfs/dbraw/zinc/70/85/90/1037708590.db2.gz XFCAAHMOZRFDHP-FOIQADDNSA-N 1 0 351.406 2.637 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1O ZINC001231593080 1037711351 /nfs/dbraw/zinc/71/13/51/1037711351.db2.gz YWRUBILJCJSVFU-IEBWSBKVSA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)c1O ZINC001231593384 1037713917 /nfs/dbraw/zinc/71/39/17/1037713917.db2.gz VNDUAQCPLVEBTH-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)c1O ZINC001231593934 1037715791 /nfs/dbraw/zinc/71/57/91/1037715791.db2.gz XFZJDUSMIAGUMQ-QRVBRYPASA-N 1 0 358.482 2.550 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231633132 1037750924 /nfs/dbraw/zinc/75/09/24/1037750924.db2.gz ISJSHGSTCWJZBJ-UHFFFAOYSA-N 1 0 352.431 2.549 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)cc1O ZINC001231639169 1037761032 /nfs/dbraw/zinc/76/10/32/1037761032.db2.gz MOGXRYUAIWJOSE-ZDUSSCGKSA-N 1 0 366.458 2.938 20 10 FFCDRO 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Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001254729965 1040915498 /nfs/dbraw/zinc/91/54/98/1040915498.db2.gz OWRRRTDWPGQBCG-HFUQMLBGSA-N 1 0 357.454 2.559 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)c1O ZINC001278562472 1041179063 /nfs/dbraw/zinc/17/90/63/1041179063.db2.gz GGFYVMVWFCNBHY-HXUWFJFHSA-N 1 0 361.486 2.807 20 10 FFCDRO CCOCC1(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)CC1 ZINC001215001847 1041640841 /nfs/dbraw/zinc/64/08/41/1041640841.db2.gz QTJTXSYISPEGBX-SJLPKXTDSA-N 1 0 360.498 2.757 20 10 FFCDRO CCn1c(Nc2cnn(C3CC[NH+](C)CC3)c2)nnc1C1SC=CC1=O ZINC001263010731 1042029954 /nfs/dbraw/zinc/02/99/54/1042029954.db2.gz GFVQTTZNGUPURH-UHFFFAOYSA-N 1 0 373.486 2.939 20 10 FFCDRO COCCOCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001279149186 1042919680 /nfs/dbraw/zinc/91/96/80/1042919680.db2.gz ALOWUYVWEXKGNE-NRFANRHFSA-N 1 0 361.530 2.661 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)c(O)c1 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OTGLIEBSBMXDTR-IBGZPJMESA-N 1 0 370.440 2.579 20 10 FFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001279490987 1043178142 /nfs/dbraw/zinc/17/81/42/1043178142.db2.gz SNHGZVDAEOQYJR-FQEVSTJZSA-N 1 0 367.484 2.910 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001279513484 1043208772 /nfs/dbraw/zinc/20/87/72/1043208772.db2.gz HKTKJKGHGRHKHH-HOTGVXAUSA-N 1 0 374.403 2.680 20 10 FFCDRO Oc1cc(O)c(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)cc1O ZINC001279514655 1043211381 /nfs/dbraw/zinc/21/13/81/1043211381.db2.gz RFDOKFUFMZGVJZ-UHFFFAOYSA-N 1 0 360.376 2.654 20 10 FFCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001279523316 1043220876 /nfs/dbraw/zinc/22/08/76/1043220876.db2.gz RYNLMZNNXMPZCE-UHFFFAOYSA-N 1 0 373.375 2.526 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(O)c(OC)c1 ZINC001237674319 1043303192 /nfs/dbraw/zinc/30/31/92/1043303192.db2.gz QRGZNCGLIRMPEW-OAQYLSRUSA-N 1 0 368.433 2.530 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237674439 1043303394 /nfs/dbraw/zinc/30/33/94/1043303394.db2.gz HOQCKEUAUHMXHE-MEDUHNTESA-N 1 0 363.376 2.935 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)cc1Br ZINC001237682406 1043308811 /nfs/dbraw/zinc/30/88/11/1043308811.db2.gz RPFSYGVIOYJWJL-UHFFFAOYSA-N 1 0 369.259 2.928 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)c(O)c(OC)c1 ZINC001237685934 1043312839 /nfs/dbraw/zinc/31/28/39/1043312839.db2.gz VUEYZJFBTZDICK-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001237788067 1043358021 /nfs/dbraw/zinc/35/80/21/1043358021.db2.gz VPCIJSHUARCBDT-FZMZJTMJSA-N 1 0 373.234 2.998 20 10 FFCDRO [NH3+]C1CN(c2cccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2)C1 ZINC001237815130 1043377510 /nfs/dbraw/zinc/37/75/10/1043377510.db2.gz YMQDRLKJCYGCJI-UHFFFAOYSA-N 1 0 357.479 2.514 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)c(O)c1 ZINC001279673146 1043443388 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SRSVWFRMBJSXGH-FQEVSTJZSA-N 1 0 370.428 2.649 20 10 FFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(O)c(O)c1)N1CCCC12CC2 ZINC001279726354 1043537020 /nfs/dbraw/zinc/53/70/20/1043537020.db2.gz LYPQVCABIVFRRR-LVFSCSRESA-N 1 0 356.466 2.757 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2cn[nH]c2)cc1 ZINC001279744600 1043575673 /nfs/dbraw/zinc/57/56/73/1043575673.db2.gz UBDRHCLMJNGBEF-HGKCTWBKSA-N 1 0 353.470 2.572 20 10 FFCDRO COCCOC[N@H+]1CC[C@H]2CN(c3ccc(OC)c(F)c3)C[C@H]2CC1 ZINC001279761982 1043603326 /nfs/dbraw/zinc/60/33/26/1043603326.db2.gz IBDZBXCDOSRCBT-IYBDPMFKSA-N 1 0 352.450 2.603 20 10 FFCDRO CC(C)c1ccc(S(=O)(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001238380377 1043677298 /nfs/dbraw/zinc/67/72/98/1043677298.db2.gz KEPWIAODBGQONY-UHFFFAOYSA-N 1 0 373.522 2.698 20 10 FFCDRO Cc1cc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC001311473450 1043922889 /nfs/dbraw/zinc/92/28/89/1043922889.db2.gz DOKBBJYBOUBSPK-UHFFFAOYSA-N 1 0 370.472 2.885 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)c1ncc[nH]1 ZINC001279969150 1044005215 /nfs/dbraw/zinc/00/52/15/1044005215.db2.gz VHSVICWIZVEWFY-HOCLYGCPSA-N 1 0 354.454 2.595 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([N@H+](C)CC)C2)cc1F ZINC001311935782 1044005653 /nfs/dbraw/zinc/00/56/53/1044005653.db2.gz QYKQVRBOFIUKKA-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2CCC(F)CC2)c(O)c1 ZINC001279980382 1044026905 /nfs/dbraw/zinc/02/69/05/1044026905.db2.gz LNUNBPSCMOPWFS-DRUAIGIBSA-N 1 0 362.445 2.762 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC001312614448 1044144923 /nfs/dbraw/zinc/14/49/23/1044144923.db2.gz BAEIFOCXBUYTSJ-SFTDATJTSA-N 1 0 364.493 2.794 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC001312614446 1044144940 /nfs/dbraw/zinc/14/49/40/1044144940.db2.gz BAEIFOCXBUYTSJ-NHCUHLMSSA-N 1 0 364.493 2.794 20 10 FFCDRO CC[N@@H+]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C[C@H]1C ZINC001313930234 1044444338 /nfs/dbraw/zinc/44/43/38/1044444338.db2.gz AKDISRCTNIJJGQ-MRXNPFEDSA-N 1 0 368.529 2.548 20 10 FFCDRO O=C(Nc1nnco1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292151 1044559802 /nfs/dbraw/zinc/55/98/02/1044559802.db2.gz HQUVOTLNFFKHDV-KDOFPFPSSA-N 1 0 360.389 2.545 20 10 FFCDRO CN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O)C1CC(F)(F)C1 ZINC001280298739 1044566410 /nfs/dbraw/zinc/56/64/10/1044566410.db2.gz SSNZXASEBXJDRF-KPZWWZAWSA-N 1 0 354.372 2.752 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC001539234811 1070593736 /nfs/dbraw/zinc/59/37/36/1070593736.db2.gz GSDXPBWQDIPVCD-FQEVSTJZSA-N 1 0 367.493 2.649 20 10 FFCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319025374 1044989975 /nfs/dbraw/zinc/98/99/75/1044989975.db2.gz BVQQAIGJXRYGEQ-UHFFFAOYSA-N 1 0 356.489 2.933 20 10 FFCDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318340399 1045275044 /nfs/dbraw/zinc/27/50/44/1045275044.db2.gz NLNXMJZSJQAXSU-HNNXBMFYSA-N 1 0 365.493 2.787 20 10 FFCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccco1 ZINC001318347118 1045277323 /nfs/dbraw/zinc/27/73/23/1045277323.db2.gz YIOPHLGEGRTOFM-LJQANCHMSA-N 1 0 360.477 2.563 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319934031 1045307202 /nfs/dbraw/zinc/30/72/02/1045307202.db2.gz VPEOEQQUCNEDAR-UHFFFAOYSA-N 1 0 365.543 2.581 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccccn4)C3)cc2F)CC1 ZINC001321153413 1045565030 /nfs/dbraw/zinc/56/50/30/1045565030.db2.gz AJYNFVNDRFPYGO-SFHVURJKSA-N 1 0 354.473 2.962 20 10 FFCDRO FC(F)(F)[C@@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)N1CCOCC1 ZINC001323560213 1045640072 /nfs/dbraw/zinc/64/00/72/1045640072.db2.gz IUQCZLNIVGRPDY-QGZVFWFLSA-N 1 0 357.420 2.640 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001323740914 1045705902 /nfs/dbraw/zinc/70/59/02/1045705902.db2.gz QLGVIIRRHTWLPW-UHFFFAOYSA-N 1 0 353.466 2.701 20 10 FFCDRO CC(C)Oc1cncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001539704600 1070684036 /nfs/dbraw/zinc/68/40/36/1070684036.db2.gz CLKSDBIWKBNIQV-HXUWFJFHSA-N 1 0 370.497 2.968 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)no1 ZINC001322277581 1046025399 /nfs/dbraw/zinc/02/53/99/1046025399.db2.gz VNDVJJOWIGXJFV-UHFFFAOYSA-N 1 0 355.438 2.572 20 10 FFCDRO Cc1cc(NC(=O)NCCc2ccc(N)cc2)ccc1N1CC[NH+](C)CC1 ZINC001325612209 1046577690 /nfs/dbraw/zinc/57/76/90/1046577690.db2.gz ZXNZHEKJECKLSD-UHFFFAOYSA-N 1 0 367.497 2.693 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1O ZINC001327471326 1047911879 /nfs/dbraw/zinc/91/18/79/1047911879.db2.gz SJNSRLYRLWPSGF-WLRWDXFRSA-N 1 0 373.840 2.951 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C3CCCC3)cc2F)CC1 ZINC001328699350 1048426289 /nfs/dbraw/zinc/42/62/89/1048426289.db2.gz HCNPUGAXBQGTCV-LJQANCHMSA-N 1 0 360.521 2.684 20 10 FFCDRO CC(C)C[NH2+]CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001332516760 1048431475 /nfs/dbraw/zinc/43/14/75/1048431475.db2.gz LXFMWLHHDBKEDV-UHFFFAOYSA-N 1 0 355.429 2.619 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CC1(O)CCC1 ZINC001328833302 1048483367 /nfs/dbraw/zinc/48/33/67/1048483367.db2.gz CRRJQHQNMOCILD-CQSZACIVSA-N 1 0 358.276 2.643 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000828353086 1048601395 /nfs/dbraw/zinc/60/13/95/1048601395.db2.gz JNOHIAXRORUATL-GOSISDBHSA-N 1 0 367.493 2.740 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC001333945268 1049178026 /nfs/dbraw/zinc/17/80/26/1049178026.db2.gz NYIAHOPQHMLKEA-CYBMUJFWSA-N 1 0 367.854 2.679 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)[C@@H](CO)c3ccccc3)cc2F)CC1 ZINC001330533489 1049194716 /nfs/dbraw/zinc/19/47/16/1049194716.db2.gz OHLAKDLSYCYLTL-NRFANRHFSA-N 1 0 357.473 2.743 20 10 FFCDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1=O ZINC000742393508 1049882524 /nfs/dbraw/zinc/88/25/24/1049882524.db2.gz XWFSOEYOITUIOZ-KYJSFNMBSA-N 1 0 372.469 2.684 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000746990417 1050989096 /nfs/dbraw/zinc/98/90/96/1050989096.db2.gz PJGXVPLANGEOOP-UHFFFAOYSA-N 1 0 371.441 2.623 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC001340952442 1051283511 /nfs/dbraw/zinc/28/35/11/1051283511.db2.gz MVOKYTBSPAUGEC-QGZVFWFLSA-N 1 0 355.486 2.794 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C)O1 ZINC001343038599 1051654312 /nfs/dbraw/zinc/65/43/12/1051654312.db2.gz GNTJWFPMTZBUIH-LORHWOILSA-N 1 0 362.518 2.611 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]ccc3n2)[NH+](C)C)cc1 ZINC001304768053 1051690529 /nfs/dbraw/zinc/69/05/29/1051690529.db2.gz KQAWNESTRWTCPG-IBGZPJMESA-N 1 0 351.454 2.662 20 10 FFCDRO COC(=O)c1cccc(OCC[N@H+](C)CCN(C)c2ccc(OC)cc2)c1 ZINC001307897850 1052364154 /nfs/dbraw/zinc/36/41/54/1052364154.db2.gz VOSWODWLALMRRA-UHFFFAOYSA-N 1 0 372.465 2.929 20 10 FFCDRO CC(C)C[NH2+]CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001346104856 1052750017 /nfs/dbraw/zinc/75/00/17/1052750017.db2.gz KPRAZIXYSRHZSY-CQSZACIVSA-N 1 0 355.429 2.619 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)COCc3ccccc3F)C2)cc1 ZINC001335411647 1053344337 /nfs/dbraw/zinc/34/43/37/1053344337.db2.gz ARFDQQXGZQLBTJ-IEBWSBKVSA-N 1 0 374.456 2.580 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccccc2N2CCOCC2)c(O)c1OC ZINC001335442619 1053366957 /nfs/dbraw/zinc/36/69/57/1053366957.db2.gz BLUYAIBMWYZBJR-UHFFFAOYSA-N 1 0 358.438 2.536 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1O ZINC000848902299 1055338389 /nfs/dbraw/zinc/33/83/89/1055338389.db2.gz CFDCHEYRCZTLOY-FQEVSTJZSA-N 1 0 368.477 2.514 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@](C)(O)c1ccccc1 ZINC001349568109 1055343742 /nfs/dbraw/zinc/34/37/42/1055343742.db2.gz FCEIPOMJQJLNCK-VGOFRKELSA-N 1 0 371.500 2.963 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](CCC(=O)[O-])C3(C)C)cc2)CC1 ZINC000849232227 1056804869 /nfs/dbraw/zinc/80/48/69/1056804869.db2.gz UFBUTLFQERTPEV-MJGOQNOKSA-N 1 0 359.514 2.808 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C2CC2)cc1 ZINC001519930511 1059209576 /nfs/dbraw/zinc/20/95/76/1059209576.db2.gz KETGEPYQFFKQQE-FFZOFVMBSA-N 1 0 356.514 2.767 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[NH2+][C@H](C(C)C)C2)CCCC1 ZINC001453735235 1059402273 /nfs/dbraw/zinc/40/22/73/1059402273.db2.gz NDQJYCVNYHKGQO-IBGZPJMESA-N 1 0 369.509 2.985 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c(Cl)ccnc2F)[NH+](C)C)cc1 ZINC001520807881 1060099548 /nfs/dbraw/zinc/09/95/48/1060099548.db2.gz CSXQRWPHBJROMD-OAHLLOKOSA-N 1 0 364.852 2.973 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCCn4ccnc43)CC2)cc1 ZINC000848517721 1060208276 /nfs/dbraw/zinc/20/82/76/1060208276.db2.gz HUHCFCPPHLDNNE-FQEVSTJZSA-N 1 0 369.513 2.529 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2[nH]nc3ccccc32)[NH+](C)C)cc1 ZINC001456928828 1060230400 /nfs/dbraw/zinc/23/04/00/1060230400.db2.gz DENCTXYQBYSOIK-GOSISDBHSA-N 1 0 351.454 2.662 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)n[nH]2)[NH+](C)C)cc1 ZINC001456938857 1060234757 /nfs/dbraw/zinc/23/47/57/1060234757.db2.gz ZTCMINHCWQNNHT-QGZVFWFLSA-N 1 0 357.502 2.806 20 10 FFCDRO COc1ccc([C@@H]2CN(Cc3cc(F)cc(C(C)=O)c3O)CC[NH2+]2)cc1 ZINC001460657664 1061050145 /nfs/dbraw/zinc/05/01/45/1061050145.db2.gz NCFCCYYVMKRYMF-IBGZPJMESA-N 1 0 358.413 2.889 20 10 FFCDRO COc1ccccc1OCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001460995473 1061183234 /nfs/dbraw/zinc/18/32/34/1061183234.db2.gz MSZHRRKAJYBSKD-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001461111772 1061215603 /nfs/dbraw/zinc/21/56/03/1061215603.db2.gz CUNOUYOAZFTJEF-UHFFFAOYSA-N 1 0 370.453 2.515 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)ccc3OC)CC2)cc1 ZINC001461116699 1061215713 /nfs/dbraw/zinc/21/57/13/1061215713.db2.gz ZDQZGDPYMGXXQH-UHFFFAOYSA-N 1 0 369.509 2.924 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(Cl)nc3)CC2)cc1 ZINC001461113372 1061215954 /nfs/dbraw/zinc/21/59/54/1061215954.db2.gz KDRSGDOAKOZZCB-UHFFFAOYSA-N 1 0 360.889 2.655 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nc(Cl)ccc2F)[NH+](C)C)cc1 ZINC001463283844 1062034592 /nfs/dbraw/zinc/03/45/92/1062034592.db2.gz QLPNQSJQUCDQLB-OAHLLOKOSA-N 1 0 364.852 2.973 20 10 FFCDRO CON(CC(C)(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001479534981 1062503204 /nfs/dbraw/zinc/50/32/04/1062503204.db2.gz QVLMIDSFOAWSSM-QGZVFWFLSA-N 1 0 350.507 2.974 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC001468729375 1064028640 /nfs/dbraw/zinc/02/86/40/1064028640.db2.gz XNFRQGNQWRAYIZ-AEFFLSMTSA-N 1 0 362.493 2.908 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccc(O)cc2)[NH+](C)C)cc1 ZINC001472280722 1064998438 /nfs/dbraw/zinc/99/84/38/1064998438.db2.gz LHPVDYGYVPLTAG-BHBFUXRTSA-N 1 0 353.466 2.891 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001577527387 1078374107 /nfs/dbraw/zinc/37/41/07/1078374107.db2.gz UZTGJDCUGNAQPP-UHFFFAOYSA-N 1 0 357.458 2.957 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC001579589924 1078646761 /nfs/dbraw/zinc/64/67/61/1078646761.db2.gz ROFJJEVYLHJWQA-GOSISDBHSA-N 1 0 353.466 2.565 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001579589863 1078646888 /nfs/dbraw/zinc/64/68/88/1078646888.db2.gz OOZTVNJBLCARLK-NRFANRHFSA-N 1 0 351.450 2.732 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)C1(C2CC[NH2+]CC2)CC1 ZINC001580717999 1078850939 /nfs/dbraw/zinc/85/09/39/1078850939.db2.gz FTEHELWNESKXET-UHFFFAOYSA-N 1 0 353.260 2.551 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccco2)[NH+](C)C)cc1 ZINC001558723577 1076063169 /nfs/dbraw/zinc/06/31/69/1076063169.db2.gz RGRDCTBFEIFBMO-QGZVFWFLSA-N 1 0 367.453 2.768 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001564716858 1076655565 /nfs/dbraw/zinc/65/55/65/1076655565.db2.gz OFYSLUDTJSBFTD-SFHVURJKSA-N 1 0 362.518 2.647 20 10 FFCDRO O=C(NCc1ccccc1O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001566373966 1076952923 /nfs/dbraw/zinc/95/29/23/1076952923.db2.gz OCLWPAXKHZCNEM-KNQAVFIVSA-N 1 0 366.461 2.547 20 10 FFCDRO CC(C)N1CC(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC001567757654 1077051020 /nfs/dbraw/zinc/05/10/20/1077051020.db2.gz CZNNUSGXEWBCFS-UHFFFAOYSA-N 1 0 368.525 2.617 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589950978 1080895622 /nfs/dbraw/zinc/89/56/22/1080895622.db2.gz ZJHYNEIIISBOGA-ILXRZTDVSA-N 1 0 370.501 2.876 20 10 FFCDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)CN1 ZINC000373177228 512207169 /nfs/dbraw/zinc/20/71/69/512207169.db2.gz OISSWTBCTBLCKM-SMDDNHRTSA-N 1 0 353.260 2.645 20 10 FFCDRO C[C@@](O)(CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000371116904 512226201 /nfs/dbraw/zinc/22/62/01/512226201.db2.gz HJGPXRGUMKEGCW-QFBILLFUSA-N 1 0 366.889 2.677 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000054176129 506506694 /nfs/dbraw/zinc/50/66/94/506506694.db2.gz NWRJUHCJTRIKML-CQSZACIVSA-N 1 0 360.479 2.723 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000373383818 512302571 /nfs/dbraw/zinc/30/25/71/512302571.db2.gz AGAYZMKJEZKFAO-QGZVFWFLSA-N 1 0 369.465 2.722 20 10 FFCDRO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000026616000 507598536 /nfs/dbraw/zinc/59/85/36/507598536.db2.gz VQMFTZPGUOMTJG-UHFFFAOYSA-N 1 0 372.396 2.608 20 10 FFCDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090084020 507907126 /nfs/dbraw/zinc/90/71/26/507907126.db2.gz RLEAOOILUUGYCA-INIZCTEOSA-N 1 0 366.477 2.899 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(N(C)C)cc1 ZINC000090171202 507913566 /nfs/dbraw/zinc/91/35/66/507913566.db2.gz QLISZYJPSXPWDR-QZTJIDSGSA-N 1 0 355.486 2.641 20 10 FFCDRO C[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000074119624 507988807 /nfs/dbraw/zinc/98/88/07/507988807.db2.gz FWMHUCYPLUOHAM-HNNXBMFYSA-N 1 0 367.440 2.715 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1O ZINC000092481294 508074174 /nfs/dbraw/zinc/07/41/74/508074174.db2.gz DGXFNBTXFJBLGG-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cccnc3)CC2)cc1 ZINC000092720769 508097714 /nfs/dbraw/zinc/09/77/14/508097714.db2.gz VGGWMUWSIOSRDW-GOSISDBHSA-N 1 0 354.498 2.953 20 10 FFCDRO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153096867 508547832 /nfs/dbraw/zinc/54/78/32/508547832.db2.gz VJQUJDKGEKWGTB-SFHVURJKSA-N 1 0 359.514 2.602 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccccc1O ZINC000157502443 508575679 /nfs/dbraw/zinc/57/56/79/508575679.db2.gz OMTQFPMHWUWWQQ-KRWDZBQOSA-N 1 0 354.516 2.883 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000153448504 508583949 /nfs/dbraw/zinc/58/39/49/508583949.db2.gz XEDYMXSRLHYNOL-KRWDZBQOSA-N 1 0 360.546 2.784 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000153448629 508584625 /nfs/dbraw/zinc/58/46/25/508584625.db2.gz XEDYMXSRLHYNOL-QGZVFWFLSA-N 1 0 360.546 2.784 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3ccccn3)CC2)cc1 ZINC000158515088 508715664 /nfs/dbraw/zinc/71/56/64/508715664.db2.gz RBKFDLITLSUASR-SFHVURJKSA-N 1 0 354.498 2.953 20 10 FFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151544831 509040691 /nfs/dbraw/zinc/04/06/91/509040691.db2.gz IFQKPBODWWYBME-OAHLLOKOSA-N 1 0 365.493 2.523 20 10 FFCDRO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000267242354 509407379 /nfs/dbraw/zinc/40/73/79/509407379.db2.gz SXXQPRSEROVNEC-UHFFFAOYSA-N 1 0 370.405 2.677 20 10 FFCDRO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000264604571 509618167 /nfs/dbraw/zinc/61/81/67/509618167.db2.gz LEMAZCUAHIJVFM-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1cccc([C@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)c1 ZINC000237313095 509619358 /nfs/dbraw/zinc/61/93/58/509619358.db2.gz CMWWITAZNGGCJG-FQEVSTJZSA-N 1 0 353.466 2.773 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000180066617 509735297 /nfs/dbraw/zinc/73/52/97/509735297.db2.gz GRXWDWZQJXCCIS-CQSZACIVSA-N 1 0 351.248 2.892 20 10 FFCDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176908294 509757779 /nfs/dbraw/zinc/75/77/79/509757779.db2.gz WLUZMLBPSKVIOJ-KRWDZBQOSA-N 1 0 358.486 2.576 20 10 FFCDRO COc1ccc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 ZINC000242790374 509848005 /nfs/dbraw/zinc/84/80/05/509848005.db2.gz DZHZVAKERRWSEP-UHFFFAOYSA-N 1 0 353.470 2.802 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000180613297 510013643 /nfs/dbraw/zinc/01/36/43/510013643.db2.gz FQCJONBCMSAXFD-CSKARUKUSA-N 1 0 352.434 2.846 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3scnc3C)CC2)cc1 ZINC000174248885 510023565 /nfs/dbraw/zinc/02/35/65/510023565.db2.gz BAQKQINGKGOOLG-UHFFFAOYSA-N 1 0 360.527 2.762 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC(C)(C)C ZINC000178097905 510431363 /nfs/dbraw/zinc/43/13/63/510431363.db2.gz MVILPXLQUYKYQO-KBPBESRZSA-N 1 0 351.466 2.616 20 10 FFCDRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc2c(cc1O)CCCC2 ZINC000184958675 510605045 /nfs/dbraw/zinc/60/50/45/510605045.db2.gz ASLDREQOWFKYBB-AWEZNQCLSA-N 1 0 374.506 2.812 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Br)ccc1O ZINC000185115774 510692390 /nfs/dbraw/zinc/69/23/90/510692390.db2.gz PEQZLYOHNBPHAM-LBPRGKRZSA-N 1 0 357.292 2.652 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185374983 510827689 /nfs/dbraw/zinc/82/76/89/510827689.db2.gz CHWWNOAETPUCNW-NEPJUHHUSA-N 1 0 353.365 2.770 20 10 FFCDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000275552974 510905409 /nfs/dbraw/zinc/90/54/09/510905409.db2.gz NKSHGIJXZWOAJU-ZFWWWQNUSA-N 1 0 366.259 2.898 20 10 FFCDRO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000275644211 510908415 /nfs/dbraw/zinc/90/84/15/510908415.db2.gz TXCVQRLLBJJXIF-MRXNPFEDSA-N 1 0 364.449 2.939 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000276086027 510927497 /nfs/dbraw/zinc/92/74/97/510927497.db2.gz HANJSQGEZOHLOU-UHFFFAOYSA-N 1 0 351.447 2.857 20 10 FFCDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1c(F)ccc(O)c1O ZINC000276606501 510943231 /nfs/dbraw/zinc/94/32/31/510943231.db2.gz OZCNVWBTTYJBAA-HNNXBMFYSA-N 1 0 358.413 2.531 20 10 FFCDRO COc1c(O)c(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)ccc1[N+](=O)[O-] ZINC000278247247 510986189 /nfs/dbraw/zinc/98/61/89/510986189.db2.gz OULFVKPSDIGNFX-ZDUSSCGKSA-N 1 0 374.397 2.949 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473368 510993818 /nfs/dbraw/zinc/99/38/18/510993818.db2.gz HVTIPNOYBITLOG-HWRSSNJWSA-N 1 0 364.423 2.518 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000278566587 510998405 /nfs/dbraw/zinc/99/84/05/510998405.db2.gz BXJUWAMZOLEBOQ-UHFFFAOYSA-N 1 0 351.447 2.911 20 10 FFCDRO Oc1cccc2c1[C@@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000297668792 511028275 /nfs/dbraw/zinc/02/82/75/511028275.db2.gz KXHODFJGTSOSIW-IBGZPJMESA-N 1 0 352.482 2.576 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCS(C)(=O)=O)cc1 ZINC000294916211 511220458 /nfs/dbraw/zinc/22/04/58/511220458.db2.gz CJAURCTVDSOGAM-UHFFFAOYSA-N 1 0 352.525 2.909 20 10 FFCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295050292 511264711 /nfs/dbraw/zinc/26/47/11/511264711.db2.gz ONXAXRUAEDIZPH-LJQANCHMSA-N 1 0 362.514 2.787 20 10 FFCDRO Cc1cc(=O)n2nc(C[N@@H+](Cc3ccc(N(C)C)cc3)C3CC3)sc2n1 ZINC000298724820 511388637 /nfs/dbraw/zinc/38/86/37/511388637.db2.gz PPKHEQBMJRLHMT-UHFFFAOYSA-N 1 0 369.494 2.690 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000295646452 511470297 /nfs/dbraw/zinc/47/02/97/511470297.db2.gz YYJRNVWRIBFZMO-LJQANCHMSA-N 1 0 359.514 2.650 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000280578712 511518158 /nfs/dbraw/zinc/51/81/58/511518158.db2.gz MILADWIASNPDJD-OAHLLOKOSA-N 1 0 355.404 2.968 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000273437698 511526699 /nfs/dbraw/zinc/52/66/99/511526699.db2.gz XPYYCMVDTUQBDE-HNNXBMFYSA-N 1 0 372.465 2.970 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC000365818473 511667755 /nfs/dbraw/zinc/66/77/55/511667755.db2.gz FCDXNJLSKSJWDE-UHFFFAOYSA-N 1 0 367.287 2.907 20 10 FFCDRO Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n2ncnc2n1 ZINC000301172183 511689735 /nfs/dbraw/zinc/68/97/35/511689735.db2.gz GQVPYPTTWJMFMT-HNNXBMFYSA-N 1 0 372.860 2.868 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296367475 511716224 /nfs/dbraw/zinc/71/62/24/511716224.db2.gz JBERABYFUKGERB-ZIAGYGMSSA-N 1 0 362.470 2.853 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000363913173 511846192 /nfs/dbraw/zinc/84/61/92/511846192.db2.gz GTQTUOLKSMOBIY-QYZOEREBSA-N 1 0 373.497 2.710 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293649297 512039681 /nfs/dbraw/zinc/03/96/81/512039681.db2.gz IMHJWYGTACYLFD-AWEZNQCLSA-N 1 0 356.426 2.864 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000371852682 512602884 /nfs/dbraw/zinc/60/28/84/512602884.db2.gz NALHSRYUTLPHCR-CVEARBPZSA-N 1 0 365.861 2.876 20 10 FFCDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C[C@H](C)O2 ZINC000373979544 512604668 /nfs/dbraw/zinc/60/46/68/512604668.db2.gz XXXAYBUOQTUQDM-LQWHRVPQSA-N 1 0 360.498 2.682 20 10 FFCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(Cl)ccc1O ZINC000367696922 512620215 /nfs/dbraw/zinc/62/02/15/512620215.db2.gz JQZQSELBYVVJLP-WWTUQBGBSA-N 1 0 365.905 2.780 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000374012754 512620742 /nfs/dbraw/zinc/62/07/42/512620742.db2.gz FZORDWLJABVZGE-NQCMUKECSA-N 1 0 351.418 2.892 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374668836 512946480 /nfs/dbraw/zinc/94/64/80/512946480.db2.gz JYGRDWZHKVLGQD-ZWKOTPCHSA-N 1 0 361.486 2.567 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCOCC2)C1 ZINC000435682844 513655884 /nfs/dbraw/zinc/65/58/84/513655884.db2.gz NLJXQROLAYUGFY-UHFFFAOYSA-N 1 0 369.509 2.951 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)ccc21 ZINC000621700477 523027866 /nfs/dbraw/zinc/02/78/66/523027866.db2.gz PMJUGOHXOOKLLP-UTKZUKDTSA-N 1 0 355.482 2.858 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634774890 523642454 /nfs/dbraw/zinc/64/24/54/523642454.db2.gz KFOMQZPAWWTXGR-CALCHBBNSA-N 1 0 367.493 2.513 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826291578 608603431 /nfs/dbraw/zinc/60/34/31/608603431.db2.gz MHBLOCDFUSLRQI-UHFFFAOYSA-N 1 0 365.437 2.924 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1 ZINC000898291853 735338196 /nfs/dbraw/zinc/33/81/96/735338196.db2.gz OYMKJKDUZTVZOO-UHFFFAOYSA-N 1 0 362.451 2.595 20 10 FFCDRO COc1nccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1F ZINC000899260711 735467497 /nfs/dbraw/zinc/46/74/97/735467497.db2.gz PEJVHXCRSWBYRV-XFXZXTDPSA-N 1 0 367.471 2.525 20 10 FFCDRO CCc1onc(C)c1/C=C1\SC(=S)N(C2CC[NH+](C)CC2)C1=O ZINC000899260832 735467580 /nfs/dbraw/zinc/46/75/80/735467580.db2.gz RSYRJVCYKZDUML-ZROIWOOFSA-N 1 0 351.497 2.841 20 10 FFCDRO C[NH+](C)CCOc1ccccc1C(=O)NCCCSc1nccs1 ZINC000114376102 728559972 /nfs/dbraw/zinc/55/99/72/728559972.db2.gz LEOPPYMAHDJWGT-UHFFFAOYSA-N 1 0 365.524 2.996 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)CC)cc2F)CC1 ZINC000120689759 728614126 /nfs/dbraw/zinc/61/41/26/728614126.db2.gz ZRECXFCYISEWBD-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO C[C@H](OCC1CC1)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262470 728729300 /nfs/dbraw/zinc/72/93/00/728729300.db2.gz QHRGJXFYBBPJJJ-GUYCJALGSA-N 1 0 366.889 2.941 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000172118775 729020228 /nfs/dbraw/zinc/02/02/28/729020228.db2.gz XKGNDSFPZOIZMF-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CCCCCS(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000184434430 729326765 /nfs/dbraw/zinc/32/67/65/729326765.db2.gz AWSHHPBEXVCTAU-UHFFFAOYSA-N 1 0 371.522 2.577 20 10 FFCDRO CCS(=O)(=O)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000194355649 729508459 /nfs/dbraw/zinc/50/84/59/729508459.db2.gz PPSYFMSTJDKEFN-UHFFFAOYSA-N 1 0 363.479 2.953 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccccc1Br ZINC000262508300 729667690 /nfs/dbraw/zinc/66/76/90/729667690.db2.gz CDKDOUQWWYHBMI-JTQLQIEISA-N 1 0 350.260 2.934 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000262549019 729668223 /nfs/dbraw/zinc/66/82/23/729668223.db2.gz WTMKKSPGGCWTEV-JTQLQIEISA-N 1 0 350.260 2.934 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000302108550 729732312 /nfs/dbraw/zinc/73/23/12/729732312.db2.gz NHVVRTLSFNHUPD-HUUCEWRRSA-N 1 0 350.459 2.987 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1F ZINC000303370725 729733806 /nfs/dbraw/zinc/73/38/06/729733806.db2.gz SKEGBAURJUTPKK-AWEZNQCLSA-N 1 0 350.482 2.954 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)c1O ZINC000857061550 730377032 /nfs/dbraw/zinc/37/70/32/730377032.db2.gz BFICOFNYIGSFCD-KRWDZBQOSA-N 1 0 365.861 2.733 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)c2ccccc2F)cc1F ZINC000858104852 730416680 /nfs/dbraw/zinc/41/66/80/730416680.db2.gz AEDXIEPBZUQVPH-UHFFFAOYSA-N 1 0 351.372 2.690 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000858106858 730416778 /nfs/dbraw/zinc/41/67/78/730416778.db2.gz BKRPFPATGJUROY-LBPRGKRZSA-N 1 0 370.218 2.823 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)[C@]12CCCO2 ZINC000858156508 730418126 /nfs/dbraw/zinc/41/81/26/730418126.db2.gz JPHYLVQDMLKNJE-ARFHVFGLSA-N 1 0 356.260 2.971 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)[C@@H]2C1 ZINC000858165451 730418489 /nfs/dbraw/zinc/41/84/89/730418489.db2.gz UGLHYDHAJGYMLW-JOQOYGCGSA-N 1 0 351.441 2.767 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1F ZINC000858193902 730419256 /nfs/dbraw/zinc/41/92/56/730419256.db2.gz OEOREBPXYJZJHQ-UHFFFAOYSA-N 1 0 360.470 2.868 20 10 FFCDRO COC1(OC)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925161253 738484212 /nfs/dbraw/zinc/48/42/12/738484212.db2.gz OKCVDUWGFVLIIN-XJKSGUPXSA-N 1 0 356.413 2.998 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161902 738484316 /nfs/dbraw/zinc/48/43/16/738484316.db2.gz RMGNSBANPHFSMP-OLZOCXBDSA-N 1 0 351.401 2.736 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnnn1C ZINC000925160845 738484417 /nfs/dbraw/zinc/48/44/17/738484417.db2.gz NCPLPQVDJRPJOO-CHWSQXEVSA-N 1 0 351.401 2.736 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1C1CC1 ZINC000862403403 730697713 /nfs/dbraw/zinc/69/77/13/730697713.db2.gz ZXWZKWMCUHVRSF-NWDGAFQWSA-N 1 0 354.244 2.786 20 10 FFCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(C(F)(F)F)c1 ZINC000865653638 730982170 /nfs/dbraw/zinc/98/21/70/730982170.db2.gz IGEPGBFUGWLQGA-CYBMUJFWSA-N 1 0 355.312 2.963 20 10 FFCDRO COC(=O)c1cnc(SC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000871981410 731711080 /nfs/dbraw/zinc/71/10/80/731711080.db2.gz WCHQBWWVBHLLOJ-QGZVFWFLSA-N 1 0 364.492 2.659 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(Cl)n[nH]c3=O)cc2F)CC1 ZINC000872447228 731769596 /nfs/dbraw/zinc/76/95/96/731769596.db2.gz GKJNZAUHAUXUCY-UHFFFAOYSA-N 1 0 365.840 2.729 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877579453 732392516 /nfs/dbraw/zinc/39/25/16/732392516.db2.gz YSNQISKDMLHTPQ-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO Nc1c(F)cccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000877581936 732393249 /nfs/dbraw/zinc/39/32/49/732393249.db2.gz AHTJMOLPOMSFAI-UHFFFAOYSA-N 1 0 351.372 2.813 20 10 FFCDRO CCOC(=O)[C@]1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CCCOC1 ZINC000877699150 732416593 /nfs/dbraw/zinc/41/65/93/732416593.db2.gz YXTKIBWIVLXMAH-KRWDZBQOSA-N 1 0 357.834 2.504 20 10 FFCDRO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877798774 732434585 /nfs/dbraw/zinc/43/45/85/732434585.db2.gz BYRWGFJBPOGPBT-QLFBSQMISA-N 1 0 366.889 2.677 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCc2ncnn21 ZINC000878152508 732490138 /nfs/dbraw/zinc/49/01/38/732490138.db2.gz INXRLGFRDCFHHY-ZDUSSCGKSA-N 1 0 351.248 2.756 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1O ZINC000878872121 732606898 /nfs/dbraw/zinc/60/68/98/732606898.db2.gz ACCBDFLQMSXTFI-SJLPKXTDSA-N 1 0 351.418 2.534 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000879650365 732742533 /nfs/dbraw/zinc/74/25/33/732742533.db2.gz XEOKOSVTKQHGOP-AUUYWEPGSA-N 1 0 350.459 2.805 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000879669306 732747711 /nfs/dbraw/zinc/74/77/11/732747711.db2.gz NVPIAWBRYAWOPN-HZPDHXFCSA-N 1 0 355.404 2.856 20 10 FFCDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927087020 738689423 /nfs/dbraw/zinc/68/94/23/738689423.db2.gz YREUKZWFBWQGQY-HOCLYGCPSA-N 1 0 354.878 2.633 20 10 FFCDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927087021 738689534 /nfs/dbraw/zinc/68/95/34/738689534.db2.gz YREUKZWFBWQGQY-ZBFHGGJFSA-N 1 0 354.878 2.633 20 10 FFCDRO Cc1cscc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883654845 733418193 /nfs/dbraw/zinc/41/81/93/733418193.db2.gz OOIWTQGSCWRTCT-UHFFFAOYSA-N 1 0 358.511 2.808 20 10 FFCDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Br)ccc3O)O2)CO1 ZINC000886334630 733774919 /nfs/dbraw/zinc/77/49/19/733774919.db2.gz ZCMDSERGCHQWAY-WPGHFRTFSA-N 1 0 356.260 2.971 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000723826890 734385732 /nfs/dbraw/zinc/38/57/32/734385732.db2.gz RPYPXESKRRXDCE-UKRRQHHQSA-N 1 0 350.459 2.993 20 10 FFCDRO Cc1ncc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891248503 734404444 /nfs/dbraw/zinc/40/44/44/734404444.db2.gz XMHSUCIGQXCMAH-DOJUMQAQSA-N 1 0 358.511 2.950 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccnc(Cl)c2F)[NH+](C)C)cc1 ZINC000891251494 734405035 /nfs/dbraw/zinc/40/50/35/734405035.db2.gz FGOLEXUGJIVFGQ-OAHLLOKOSA-N 1 0 364.852 2.973 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ncc2F)[NH+](C)C)cc1 ZINC000891256931 734405711 /nfs/dbraw/zinc/40/57/11/734405711.db2.gz BZGSPNQWCOAJEL-INIZCTEOSA-N 1 0 364.852 2.973 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CC2(Cl)Cl)[NH+](C)C)cc1 ZINC000891566399 734446617 /nfs/dbraw/zinc/44/66/17/734446617.db2.gz NRYPUUSOHRBQJV-ZFWWWQNUSA-N 1 0 373.328 2.848 20 10 FFCDRO Cc1csc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891691584 734462883 /nfs/dbraw/zinc/46/28/83/734462883.db2.gz PZXGCZLEONOJRM-INIZCTEOSA-N 1 0 361.515 2.620 20 10 FFCDRO F[C@@H]1CC2(CC[C@H]1[NH2+]Cc1ccc(N3CCSCC3)cc1)OCCO2 ZINC000892612996 734579917 /nfs/dbraw/zinc/57/99/17/734579917.db2.gz PUVNGDHCXNSDJZ-QZTJIDSGSA-N 1 0 366.502 2.963 20 10 FFCDRO CN(c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893573727 734721169 /nfs/dbraw/zinc/72/11/69/734721169.db2.gz QJTWBPXSSZIMQV-ROUUACIJSA-N 1 0 352.450 2.697 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000893707075 734739748 /nfs/dbraw/zinc/73/97/48/734739748.db2.gz MPNKDMXPRNGRSP-GDBMZVCRSA-N 1 0 354.445 2.842 20 10 FFCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000733301632 734805832 /nfs/dbraw/zinc/80/58/32/734805832.db2.gz VOYIXDBJEIHGJS-OAHLLOKOSA-N 1 0 354.516 2.512 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1 ZINC000894160653 734810953 /nfs/dbraw/zinc/81/09/53/734810953.db2.gz OOUKDHMSDPCTCX-UHFFFAOYSA-N 1 0 366.918 2.989 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)c1O ZINC000895393226 735000031 /nfs/dbraw/zinc/00/00/31/735000031.db2.gz XLRCOPOEKYLIRN-UHFFFAOYSA-N 1 0 359.413 2.756 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c(O)c1OC ZINC000895472894 735011781 /nfs/dbraw/zinc/01/17/81/735011781.db2.gz BGNWOQLVACRGSV-ZDUSSCGKSA-N 1 0 357.328 2.650 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000740900029 735097534 /nfs/dbraw/zinc/09/75/34/735097534.db2.gz IWTRBRIFELYZLU-QWHCGFSZSA-N 1 0 362.289 2.600 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1F ZINC000896392582 735151968 /nfs/dbraw/zinc/15/19/68/735151968.db2.gz GUVKWNIDWBWHQN-UGSOOPFHSA-N 1 0 353.413 2.741 20 10 FFCDRO C[C@@]1([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)COC(=O)N1 ZINC000896395419 735153096 /nfs/dbraw/zinc/15/30/96/735153096.db2.gz IRXFJTCPLAPVIT-LRDDRELGSA-N 1 0 369.259 2.865 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000896921965 735188332 /nfs/dbraw/zinc/18/83/32/735188332.db2.gz VVIMSYDUQMMJKN-CQSZACIVSA-N 1 0 356.260 2.973 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261342 735212020 /nfs/dbraw/zinc/21/20/20/735212020.db2.gz FSDKORYBRADRIO-CQSZACIVSA-N 1 0 356.260 2.661 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CC1(OCCO)CCC(C(F)F)CC1 ZINC000897539863 735244916 /nfs/dbraw/zinc/24/49/16/735244916.db2.gz XTCYFHKHDOJPFC-UHFFFAOYSA-N 1 0 359.413 2.693 20 10 FFCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000748247777 735630259 /nfs/dbraw/zinc/63/02/59/735630259.db2.gz YGZUICSTNBOKQR-OAHLLOKOSA-N 1 0 360.248 2.985 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cn(C)nn1 ZINC000902785967 735991915 /nfs/dbraw/zinc/99/19/15/735991915.db2.gz JUFXKZYFAOFQSD-GFCCVEGCSA-N 1 0 351.401 2.736 20 10 FFCDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000903173826 736048408 /nfs/dbraw/zinc/04/84/08/736048408.db2.gz WZUQVFLHFNJOQE-KRWDZBQOSA-N 1 0 360.479 2.561 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CS[C@@H](C(C)C)C3)CC2)cc1 ZINC000754125963 736128932 /nfs/dbraw/zinc/12/89/32/736128932.db2.gz YTJASKWOJHJFLZ-FXAWDEMLSA-N 1 0 363.571 2.937 20 10 FFCDRO CC(C)c1nnc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000756130651 736309618 /nfs/dbraw/zinc/30/96/18/736309618.db2.gz DSILDOQUTOPJSQ-UHFFFAOYSA-N 1 0 350.463 2.927 20 10 FFCDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756357554 736324861 /nfs/dbraw/zinc/32/48/61/736324861.db2.gz DIUGCWLLHGHHSH-LBPRGKRZSA-N 1 0 374.298 2.582 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc(Br)cc1O ZINC000756430400 736330614 /nfs/dbraw/zinc/33/06/14/736330614.db2.gz HFVSJPNZIBCTKV-LLVKDONJSA-N 1 0 374.242 2.981 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907758723 736664551 /nfs/dbraw/zinc/66/45/51/736664551.db2.gz SROYDECYMFJCNZ-TZMCWYRMSA-N 1 0 353.260 2.788 20 10 FFCDRO CCC[C@H](O)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982986 736779295 /nfs/dbraw/zinc/77/92/95/736779295.db2.gz OTMMUYZECJPHDD-CVEARBPZSA-N 1 0 354.878 2.677 20 10 FFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766030694 737184769 /nfs/dbraw/zinc/18/47/69/737184769.db2.gz UKYYUIBHFQVDRH-AWEZNQCLSA-N 1 0 365.905 2.873 20 10 FFCDRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(C)c2O)CCCOC1 ZINC000770676914 737651582 /nfs/dbraw/zinc/65/15/82/737651582.db2.gz JPLXWVYHMUDQBD-MRXNPFEDSA-N 1 0 372.259 2.665 20 10 FFCDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)[C@@H](CC)CN1C(C)=O ZINC000775721332 738117460 /nfs/dbraw/zinc/11/74/60/738117460.db2.gz WEKZQYDUMKDAOA-HOTGVXAUSA-N 1 0 350.459 2.631 20 10 FFCDRO COc1cc(C)nc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000776727500 738226090 /nfs/dbraw/zinc/22/60/90/738226090.db2.gz YQFZMNYFLPSNQB-XNTDXEJSSA-N 1 0 363.508 2.694 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c(O)c1 ZINC000776940445 738246651 /nfs/dbraw/zinc/24/66/51/738246651.db2.gz WTILFCLPDMEBEW-HNNXBMFYSA-N 1 0 362.857 2.878 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000924004790 738357177 /nfs/dbraw/zinc/35/71/77/738357177.db2.gz BDLYDKNRRHXLFH-DOTOQJQBSA-N 1 0 362.543 2.522 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOCC1 ZINC000787449952 739137743 /nfs/dbraw/zinc/13/77/43/739137743.db2.gz NDDVUGKFMGTSTA-WMLDXEAASA-N 1 0 366.889 2.943 20 10 FFCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787729550 739163267 /nfs/dbraw/zinc/16/32/67/739163267.db2.gz JCPSPBVWIYBOPE-APWZRJJASA-N 1 0 350.459 2.584 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000789768807 739386566 /nfs/dbraw/zinc/38/65/66/739386566.db2.gz IHSRTHTUOPBDBY-LJQANCHMSA-N 1 0 365.543 2.533 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000793396407 739777158 /nfs/dbraw/zinc/77/71/58/739777158.db2.gz YNAFIQQFAOIDQK-UHFFFAOYSA-N 1 0 355.276 2.954 20 10 FFCDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000794803793 739932310 /nfs/dbraw/zinc/93/23/10/739932310.db2.gz KJQUXJMHRJNTIQ-CQSZACIVSA-N 1 0 360.479 2.737 20 10 FFCDRO COCCN(CCOC)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000795713087 740055177 /nfs/dbraw/zinc/05/51/77/740055177.db2.gz BGMHPFDJBPTHEE-UHFFFAOYSA-N 1 0 350.503 2.568 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000796894463 740194349 /nfs/dbraw/zinc/19/43/49/740194349.db2.gz WAILNBBJKTZRML-SJORKVTESA-N 1 0 353.482 2.665 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c2c1c(F)ccc2O ZINC000797115041 740213368 /nfs/dbraw/zinc/21/33/68/740213368.db2.gz YAFQSOJQAHOQBF-OSMZGAPFSA-N 1 0 362.367 2.932 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000797116134 740213737 /nfs/dbraw/zinc/21/37/37/740213737.db2.gz FLBOISFNNHUXHH-DZGCQCFKSA-N 1 0 360.907 2.900 20 10 FFCDRO CC(C)(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000799776242 740450528 /nfs/dbraw/zinc/45/05/28/740450528.db2.gz ONBCGTPLIXMQTH-OAHLLOKOSA-N 1 0 374.934 2.976 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC[C@H]1CCCO1 ZINC000805011947 740925504 /nfs/dbraw/zinc/92/55/04/740925504.db2.gz YVHOYTVXRQMKTF-HZPDHXFCSA-N 1 0 368.861 2.915 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)ccc1N1CCOCC1 ZINC000806132506 741042266 /nfs/dbraw/zinc/04/22/66/741042266.db2.gz WXWBEWLFTQRBPW-CZUORRHYSA-N 1 0 362.367 2.862 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000808691570 741252478 /nfs/dbraw/zinc/25/24/78/741252478.db2.gz SMUBERYEWOUJLD-WMLDXEAASA-N 1 0 367.921 2.947 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000808719956 741255516 /nfs/dbraw/zinc/25/55/16/741255516.db2.gz ZFRLIMBPGHYJBH-GXTWGEPZSA-N 1 0 360.907 2.819 20 10 FFCDRO COc1cc(Cl)cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1O ZINC000809728145 741337550 /nfs/dbraw/zinc/33/75/50/741337550.db2.gz MXAWJCLVPLDGQY-UHFFFAOYSA-N 1 0 351.790 2.928 20 10 FFCDRO C[NH+](C)CCN(Cc1cc(Br)ccc1O)C[C@H]1CCCO1 ZINC000809737272 741338518 /nfs/dbraw/zinc/33/85/18/741338518.db2.gz DREBILDOFHIJIZ-OAHLLOKOSA-N 1 0 357.292 2.697 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000809786072 741343282 /nfs/dbraw/zinc/34/32/82/741343282.db2.gz OAVXTSLXUINNEC-OAHLLOKOSA-N 1 0 354.516 2.583 20 10 FFCDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000810043182 741376057 /nfs/dbraw/zinc/37/60/57/741376057.db2.gz PURJHKPZRBIXFN-UHFFFAOYSA-N 1 0 355.548 2.635 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)C(C)(F)F)cc2F)CC1 ZINC000815492673 741939934 /nfs/dbraw/zinc/93/99/34/741939934.db2.gz RKBYNXTZMTZETJ-ZDUSSCGKSA-N 1 0 357.420 2.875 20 10 FFCDRO O=S(=O)(NCC[NH2+]Cc1ccc2ccccc2c1O)c1ccccc1 ZINC000816541592 742040001 /nfs/dbraw/zinc/04/00/01/742040001.db2.gz PWAKOEWTLXONGW-UHFFFAOYSA-N 1 0 356.447 2.614 20 10 FFCDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887943 742221017 /nfs/dbraw/zinc/22/10/17/742221017.db2.gz HJEACFISVQNVRV-GUYCJALGSA-N 1 0 357.420 2.630 20 10 FFCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCCC1 ZINC000818964361 742316201 /nfs/dbraw/zinc/31/62/01/742316201.db2.gz SIYOOVWUCIJIPZ-UHFFFAOYSA-N 1 0 358.404 2.937 20 10 FFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]CCCSc2nccs2)c1 ZINC000819062055 742332830 /nfs/dbraw/zinc/33/28/30/742332830.db2.gz AJWJOPVKAKHFKP-AWEZNQCLSA-N 1 0 354.497 2.966 20 10 FFCDRO CN(Cc1cccs1)c1ccc(CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000823697448 742963516 /nfs/dbraw/zinc/96/35/16/742963516.db2.gz KAQFNTXDFYPYAC-LJQANCHMSA-N 1 0 359.539 2.931 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)S(C)(=O)=O ZINC000824043895 743012730 /nfs/dbraw/zinc/01/27/30/743012730.db2.gz GFLPNYKGQHQXEV-CQSZACIVSA-N 1 0 352.525 2.907 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1F ZINC000824542891 743101559 /nfs/dbraw/zinc/10/15/59/743101559.db2.gz CWBQNBACMWUVNZ-UHFFFAOYSA-N 1 0 368.250 2.606 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)c1O ZINC000825040800 743200380 /nfs/dbraw/zinc/20/03/80/743200380.db2.gz SYOMEDBBPUYPDC-ZDUSSCGKSA-N 1 0 362.857 2.891 20 10 FFCDRO COc1ccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000825089981 743207935 /nfs/dbraw/zinc/20/79/35/743207935.db2.gz LXLFXOSESSYMGW-MRXNPFEDSA-N 1 0 352.228 2.987 20 10 FFCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825505460 743283388 /nfs/dbraw/zinc/28/33/88/743283388.db2.gz ZHUWIHLMAISLQH-IBGZPJMESA-N 1 0 353.459 2.756 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)nn1 ZINC000825514667 743285641 /nfs/dbraw/zinc/28/56/41/743285641.db2.gz RPEDZDYYAWMEDY-UHFFFAOYSA-N 1 0 364.833 2.569 20 10 FFCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)nn1 ZINC000825520098 743288399 /nfs/dbraw/zinc/28/83/99/743288399.db2.gz UOVTUEBCRAXFRE-ZDUSSCGKSA-N 1 0 364.833 2.569 20 10 FFCDRO CN(C)C(=O)OC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826017122 743356276 /nfs/dbraw/zinc/35/62/76/743356276.db2.gz OFCDTOUNNBXRQC-UHFFFAOYSA-N 1 0 357.248 2.817 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826130440 743369852 /nfs/dbraw/zinc/36/98/52/743369852.db2.gz IAPSZLACAVRPJW-LSDHHAIUSA-N 1 0 350.503 2.585 20 10 FFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)C1CCOCC1 ZINC000826872012 743460271 /nfs/dbraw/zinc/46/02/71/743460271.db2.gz GNKJTWYJDVCBNM-OAHLLOKOSA-N 1 0 358.276 2.994 20 10 FFCDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827075597 743500294 /nfs/dbraw/zinc/50/02/94/743500294.db2.gz CXERBRHFJLSPOW-CQSZACIVSA-N 1 0 358.511 2.778 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)cc1 ZINC000827205195 743532715 /nfs/dbraw/zinc/53/27/15/743532715.db2.gz IBZBHRHRFRZUIL-JKSUJKDBSA-N 1 0 356.495 2.673 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1SC ZINC000827661927 744957147 /nfs/dbraw/zinc/95/71/47/744957147.db2.gz IIAVTVMBZWWOSQ-IPMKNSEASA-N 1 0 350.528 2.646 20 10 FFCDRO [NH3+]CCCCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358277 745059279 /nfs/dbraw/zinc/05/92/79/745059279.db2.gz JRIJXJYDVSNPLJ-UHFFFAOYSA-N 1 0 355.429 2.892 20 10 FFCDRO Cc1ccc(Cl)c(OCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832284538 745671372 /nfs/dbraw/zinc/67/13/72/745671372.db2.gz KREFCRPVIGWJEN-KRWDZBQOSA-N 1 0 361.873 2.909 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000832293204 745673678 /nfs/dbraw/zinc/67/36/78/745673678.db2.gz RGAVOPCQSGSXQS-WMZOPIPTSA-N 1 0 359.857 2.526 20 10 FFCDRO COCCOC1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000834856196 745915050 /nfs/dbraw/zinc/91/50/50/745915050.db2.gz LWUOQWKZXKNBMS-ZFWWWQNUSA-N 1 0 353.434 2.881 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000835054629 745940407 /nfs/dbraw/zinc/94/04/07/745940407.db2.gz WTVVOEDQZOZLLW-REMYHPOOSA-N 1 0 357.420 2.619 20 10 FFCDRO COC[C@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838984302 746750995 /nfs/dbraw/zinc/75/09/95/746750995.db2.gz OGSMHIBYVJADCJ-OAHLLOKOSA-N 1 0 371.319 2.926 20 10 FFCDRO CN(CCC[N@H+](C)Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000840180188 747029601 /nfs/dbraw/zinc/02/96/01/747029601.db2.gz FQULHTRDHUNTSW-UHFFFAOYSA-N 1 0 352.431 2.810 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000840885607 747212867 /nfs/dbraw/zinc/21/28/67/747212867.db2.gz ZPSVUTZJGFMXLN-LBPRGKRZSA-N 1 0 365.813 2.612 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000840953700 747241342 /nfs/dbraw/zinc/24/13/42/747241342.db2.gz WQRNCTNUHHFYCY-UHFFFAOYSA-N 1 0 361.511 2.649 20 10 FFCDRO C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841051922 747261060 /nfs/dbraw/zinc/26/10/60/747261060.db2.gz RVKICHHPPYIEMD-ZETCQYMHSA-N 1 0 352.070 2.744 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000841798417 747463008 /nfs/dbraw/zinc/46/30/08/747463008.db2.gz IQYKHYHHLFBLJN-HOCLYGCPSA-N 1 0 350.482 2.941 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)NCc1cccc(Br)c1O)C1CCCCC1 ZINC000841941457 747489935 /nfs/dbraw/zinc/48/99/35/747489935.db2.gz YCJOFOFELZQMEQ-CQSZACIVSA-N 1 0 370.291 2.862 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000842784118 747686598 /nfs/dbraw/zinc/68/65/98/747686598.db2.gz GSOSOOFLTQVWKC-HNNXBMFYSA-N 1 0 371.865 2.523 20 10 FFCDRO Cc1ccc(/C=C\S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842785553 747687136 /nfs/dbraw/zinc/68/71/36/747687136.db2.gz UTAACTCAXLSDQT-HSNDNRACSA-N 1 0 359.495 2.651 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000842784510 747687396 /nfs/dbraw/zinc/68/73/96/747687396.db2.gz HHOWWRBHLDPCTQ-IBGZPJMESA-N 1 0 359.495 2.608 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000842784539 747687474 /nfs/dbraw/zinc/68/74/74/747687474.db2.gz ILCLQUAOAMEAQG-HNNXBMFYSA-N 1 0 371.865 2.523 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(C)cc1O ZINC000842884011 747713956 /nfs/dbraw/zinc/71/39/56/747713956.db2.gz MPOJMPRETVZUGW-HOCLYGCPSA-N 1 0 361.463 2.976 20 10 FFCDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843125419 747777437 /nfs/dbraw/zinc/77/74/37/747777437.db2.gz WCCWIAOHLWBRNU-SFHVURJKSA-N 1 0 350.438 2.719 20 10 FFCDRO COCC1(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000843832925 747906981 /nfs/dbraw/zinc/90/69/81/747906981.db2.gz YMBBENSRHAGNOA-INIZCTEOSA-N 1 0 366.889 2.943 20 10 FFCDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845935870 748356667 /nfs/dbraw/zinc/35/66/67/748356667.db2.gz GGTJCLXCTGQAPM-OALUTQOASA-N 1 0 350.528 2.980 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)cc1 ZINC000846143585 748414632 /nfs/dbraw/zinc/41/46/32/748414632.db2.gz JRXGDHJQVOPLIU-CHWSQXEVSA-N 1 0 364.467 2.721 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847337085 748679523 /nfs/dbraw/zinc/67/95/23/748679523.db2.gz VSANJVXXLSYMKE-KGLIPLIRSA-N 1 0 354.545 2.941 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000848530635 748951455 /nfs/dbraw/zinc/95/14/55/748951455.db2.gz ISYNVCWXVJYHTM-SNVBAGLBSA-N 1 0 371.275 2.860 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1O ZINC000848530575 748951556 /nfs/dbraw/zinc/95/15/56/748951556.db2.gz BHAWTXMFWISLSI-YMTOWFKASA-N 1 0 362.289 2.682 20 10 FFCDRO COCC[C@H](COC)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848551003 748957162 /nfs/dbraw/zinc/95/71/62/748957162.db2.gz BKOBITIILSTDCX-ZYHUDNBSSA-N 1 0 362.264 2.865 20 10 FFCDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848553201 748958848 /nfs/dbraw/zinc/95/88/48/748958848.db2.gz IPMFDIQTUGHBKY-BMIGLBTASA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000848556048 748959246 /nfs/dbraw/zinc/95/92/46/748959246.db2.gz KULQQSBNYSOWCL-BDJLRTHQSA-N 1 0 374.275 2.746 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848565414 748962222 /nfs/dbraw/zinc/96/22/22/748962222.db2.gz WLTVXAYGPGJUAE-ZYHUDNBSSA-N 1 0 365.275 2.800 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848928548 749036755 /nfs/dbraw/zinc/03/67/55/749036755.db2.gz GYMAPJXEAOYVQL-CYBMUJFWSA-N 1 0 355.232 2.536 20 10 FFCDRO [NH2+]=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCCCCC1 ZINC000849116765 749057572 /nfs/dbraw/zinc/05/75/72/749057572.db2.gz WNULARKSGCUCIK-UHFFFAOYSA-N 1 0 352.429 2.702 20 10 FFCDRO COC[C@H](CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O)OC ZINC000850487299 749372060 /nfs/dbraw/zinc/37/20/60/749372060.db2.gz YXQQYMQMAPZAJP-PWSUYJOCSA-N 1 0 362.264 2.865 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000850520140 749381250 /nfs/dbraw/zinc/38/12/50/749381250.db2.gz SKOUEHHHJFEKCW-LLVKDONJSA-N 1 0 365.417 2.899 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000850586051 749390169 /nfs/dbraw/zinc/39/01/69/749390169.db2.gz KEHLEJZHSKEOOS-MRXNPFEDSA-N 1 0 369.437 2.669 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852468847 749868567 /nfs/dbraw/zinc/86/85/67/749868567.db2.gz RGKQLSYNLRJKAW-CYBMUJFWSA-N 1 0 370.291 2.827 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1OC ZINC000853084502 750004922 /nfs/dbraw/zinc/00/49/22/750004922.db2.gz OWPKTJAOYNMIOQ-LBPRGKRZSA-N 1 0 354.447 2.754 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895773104 970934282 /nfs/dbraw/zinc/93/42/82/970934282.db2.gz OGEZEFRAUXXKNK-LJQANCHMSA-N 1 0 359.514 2.698 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895773103 970934311 /nfs/dbraw/zinc/93/43/11/970934311.db2.gz OGEZEFRAUXXKNK-IBGZPJMESA-N 1 0 359.514 2.698 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000182467285 971031300 /nfs/dbraw/zinc/03/13/00/971031300.db2.gz VMUNIWYFLZFBPN-ZIAGYGMSSA-N 1 0 356.422 2.973 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)c1 ZINC000185427580 971285262 /nfs/dbraw/zinc/28/52/62/971285262.db2.gz QQXPAVAFOUUWKZ-MJGOQNOKSA-N 1 0 370.493 2.995 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000237266470 971551259 /nfs/dbraw/zinc/55/12/59/971551259.db2.gz PWTRCTDHAJBTAC-JKSUJKDBSA-N 1 0 363.477 2.509 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275892975 1013150180 /nfs/dbraw/zinc/15/01/80/1013150180.db2.gz NNHRDOQEYWWOPL-LJQANCHMSA-N 1 0 366.889 2.897 20 10 FFCDRO O=C1N(CCn2ccnc2)CC[C@@]12CCC[N@H+]2Cc1ccc(Cl)cc1O ZINC001275895161 1013153561 /nfs/dbraw/zinc/15/35/61/1013153561.db2.gz GIVZLBPNSSJXTE-IBGZPJMESA-N 1 0 374.872 2.509 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)C(=O)N1CC(F)F ZINC001275895809 1013155912 /nfs/dbraw/zinc/15/59/12/1013155912.db2.gz OGVIFZMDDOLRNG-QGZVFWFLSA-N 1 0 372.799 2.652 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F ZINC000123968847 1013162447 /nfs/dbraw/zinc/16/24/47/1013162447.db2.gz VPALFPURDXGVNY-SFHVURJKSA-N 1 0 366.383 2.764 20 10 FFCDRO Cc1cc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000872215966 1013182004 /nfs/dbraw/zinc/18/20/04/1013182004.db2.gz KDMJZYUETMAKDE-OAQYLSRUSA-N 1 0 372.509 2.785 20 10 FFCDRO C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)cc3[O-])(C1)CCC2 ZINC001279106356 960066350 /nfs/dbraw/zinc/06/63/50/960066350.db2.gz CNGAHYPRYBSGIO-RBUKOAKNSA-N 1 0 353.457 2.757 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H](O)C2CC2)C1 ZINC000890719029 960100075 /nfs/dbraw/zinc/10/00/75/960100075.db2.gz AIJIFQWNTKJHPC-OAQYLSRUSA-N 1 0 369.509 2.685 20 10 FFCDRO Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[nH]n1 ZINC000683483629 960772270 /nfs/dbraw/zinc/77/22/70/960772270.db2.gz FGKQHNNUYFZHCG-UHFFFAOYSA-N 1 0 365.481 2.756 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2F)cc1Cn1cccn1 ZINC000873020759 1013351825 /nfs/dbraw/zinc/35/18/25/1013351825.db2.gz ADGFACDNNZJZLU-IBGZPJMESA-N 1 0 355.413 2.902 20 10 FFCDRO C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245257 962559789 /nfs/dbraw/zinc/55/97/89/962559789.db2.gz BHEJIGJNKPZDBW-VOBQZIQPSA-N 1 0 369.513 2.561 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCCc2cccnc2)[NH+](C)C)cc1 ZINC000891245237 962559868 /nfs/dbraw/zinc/55/98/68/962559868.db2.gz AUKMMSSWFKPGEM-FQEVSTJZSA-N 1 0 354.498 2.889 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc(F)c2)cc1Cn1cccn1 ZINC000873024421 1013354083 /nfs/dbraw/zinc/35/40/83/1013354083.db2.gz QTGAJFUHOUYOOY-IBGZPJMESA-N 1 0 355.413 2.902 20 10 FFCDRO Cc1nn(C(C)C)cc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247213 962572870 /nfs/dbraw/zinc/57/28/70/962572870.db2.gz ROWJRLVEAIRXAW-IBGZPJMESA-N 1 0 357.502 2.871 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(C=O)cc2)[NH+](C)C)cc1 ZINC000891248511 962577948 /nfs/dbraw/zinc/57/79/48/962577948.db2.gz XRHFHRUMAYXIPF-FQEVSTJZSA-N 1 0 353.466 2.527 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)[NH+](C)C)cc1 ZINC000891256493 962620072 /nfs/dbraw/zinc/62/00/72/962620072.db2.gz YTXFJXKZIZCXSV-GOSISDBHSA-N 1 0 357.502 2.737 20 10 FFCDRO COC(C)(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001276064955 1013393570 /nfs/dbraw/zinc/39/35/70/1013393570.db2.gz YGYQFBHNCFTHGG-FQEVSTJZSA-N 1 0 364.461 2.913 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1Cn1cccn1 ZINC000873132547 1013397100 /nfs/dbraw/zinc/39/71/00/1013397100.db2.gz XFBCIZKANNZRDG-INIZCTEOSA-N 1 0 359.470 2.614 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000178076683 964016967 /nfs/dbraw/zinc/01/69/67/964016967.db2.gz RYECPSMVRIZILO-SFHVURJKSA-N 1 0 371.525 2.998 20 10 FFCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000891440356 964058893 /nfs/dbraw/zinc/05/88/93/964058893.db2.gz GGNMORNZFWHFKI-SJLPKXTDSA-N 1 0 374.529 2.662 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1O ZINC000894297905 964318782 /nfs/dbraw/zinc/31/87/82/964318782.db2.gz KEJGLISWTGMXPH-PMACEKPBSA-N 1 0 370.493 2.682 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)NCc3cc(N)cc[nH+]3)cc2)CC1 ZINC000891533123 964433694 /nfs/dbraw/zinc/43/36/94/964433694.db2.gz SXVULPHVJSEPRH-UHFFFAOYSA-N 1 0 353.470 2.900 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C[C@@H]3CCOC3)cc2)CC1 ZINC000933664926 965048226 /nfs/dbraw/zinc/04/82/26/965048226.db2.gz HWTHZZRARYHETQ-FPOVZHCZSA-N 1 0 374.525 2.929 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1C ZINC001022450241 965444907 /nfs/dbraw/zinc/44/49/07/965444907.db2.gz HOIDURLWNKCRMW-HBWRTXEVSA-N 1 0 358.482 2.556 20 10 FFCDRO CCc1nc(C)c(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000895036028 967176480 /nfs/dbraw/zinc/17/64/80/967176480.db2.gz KJWAKWDKCYBYQS-KRWDZBQOSA-N 1 0 373.501 2.714 20 10 FFCDRO CC(=O)CCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000773584218 1013738725 /nfs/dbraw/zinc/73/87/25/1013738725.db2.gz WIAACNCFCCRELW-UHFFFAOYSA-N 1 0 357.498 2.594 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000892667752 969748422 /nfs/dbraw/zinc/74/84/22/969748422.db2.gz AOOIRENXQOIERO-UHFFFAOYSA-N 1 0 354.450 2.908 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[NH+](C)C)c1 ZINC000875003092 1013944910 /nfs/dbraw/zinc/94/49/10/1013944910.db2.gz MRJKEPYVZAQUPN-GOSISDBHSA-N 1 0 355.438 2.729 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311689598 970119923 /nfs/dbraw/zinc/11/99/23/970119923.db2.gz OMKIKRBQIOGANY-VQIMIIECSA-N 1 0 356.466 2.952 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1O ZINC000875392875 1014021718 /nfs/dbraw/zinc/02/17/18/1014021718.db2.gz FGELESRGBAKJOK-LSBZLQRGSA-N 1 0 361.486 2.520 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC000897044073 973187259 /nfs/dbraw/zinc/18/72/59/973187259.db2.gz YSYISDSJSZBPNP-HXUWFJFHSA-N 1 0 373.541 2.776 20 10 FFCDRO COc1ccc2c(c1)CC[C@@H]2C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506220 1014288223 /nfs/dbraw/zinc/28/82/23/1014288223.db2.gz HLAMITVTOQRAAD-VQTJNVASSA-N 1 0 353.466 2.607 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(C(F)F)nc3ccccn32)cc1 ZINC000876507153 1014288715 /nfs/dbraw/zinc/28/87/15/1014288715.db2.gz WWEDMGLHFUQNMY-CQSZACIVSA-N 1 0 373.407 2.768 20 10 FFCDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607376 975904592 /nfs/dbraw/zinc/90/45/92/975904592.db2.gz GZOSYNRQSBDXKY-UHFFFAOYSA-N 1 0 368.437 2.585 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCOCC2)C1 ZINC000435751223 977131809 /nfs/dbraw/zinc/13/18/09/977131809.db2.gz FFPKAYPUELJCFE-UHFFFAOYSA-N 1 0 355.482 2.657 20 10 FFCDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876879534 1014409219 /nfs/dbraw/zinc/40/92/19/1014409219.db2.gz KVSPNKUPUFVNQA-CTNGQTDRSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2c(C)cccc2O)N2CCOCC2)cc1 ZINC000876890812 1014410767 /nfs/dbraw/zinc/41/07/67/1014410767.db2.gz JVPLOOPZSIMAOA-FQEVSTJZSA-N 1 0 356.466 2.872 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000796582314 1014414288 /nfs/dbraw/zinc/41/42/88/1014414288.db2.gz WCTGFGSMXKHFOX-NRFANRHFSA-N 1 0 371.456 2.922 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178671853 977698532 /nfs/dbraw/zinc/69/85/32/977698532.db2.gz XPKKKBARDFLEHO-LJQANCHMSA-N 1 0 372.557 2.882 20 10 FFCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1c1ccccc1 ZINC000876988336 1014441756 /nfs/dbraw/zinc/44/17/56/1014441756.db2.gz ZBJWFKZYXZFECF-GOSISDBHSA-N 1 0 365.477 2.543 20 10 FFCDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877124909 1014480099 /nfs/dbraw/zinc/48/00/99/1014480099.db2.gz SYVPIDCOIAZOCI-UHFFFAOYSA-N 1 0 355.438 2.888 20 10 FFCDRO COc1cccc(C)c1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000877144951 1014489175 /nfs/dbraw/zinc/48/91/75/1014489175.db2.gz AIMLMMMZSVVVAT-GOSISDBHSA-N 1 0 367.493 2.995 20 10 FFCDRO C[C@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccccc1O ZINC000877256692 1014528662 /nfs/dbraw/zinc/52/86/62/1014528662.db2.gz COBYMYITPWLBRO-KRWDZBQOSA-N 1 0 367.493 2.953 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)ccc21 ZINC000877273560 1014534127 /nfs/dbraw/zinc/53/41/27/1014534127.db2.gz FJNGHXKKIUVQDF-QUCCMNQESA-N 1 0 355.482 2.871 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@](C)(OC)C3CC3)CC2)cc(OC)c1OC ZINC000877346300 1014556247 /nfs/dbraw/zinc/55/62/47/1014556247.db2.gz QYNQZVWCXSRSSN-HXUWFJFHSA-N 1 0 364.486 2.650 20 10 FFCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877464502 1014591539 /nfs/dbraw/zinc/59/15/39/1014591539.db2.gz KKTAVLXHLNZNIV-HXUWFJFHSA-N 1 0 354.494 2.649 20 10 FFCDRO O[C@@H]([C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877479512 1014594953 /nfs/dbraw/zinc/59/49/53/1014594953.db2.gz WHGVUPYXKKQUIU-QAPCUYQASA-N 1 0 372.431 2.783 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)Cc1cccn(C(F)F)c1=O ZINC000877598301 1014640140 /nfs/dbraw/zinc/64/01/40/1014640140.db2.gz DCAQBLZBABJQPC-UHFFFAOYSA-N 1 0 366.364 2.514 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1c(C)cccc1O)Cc1ccc(OC)c(F)c1 ZINC000877603917 1014641879 /nfs/dbraw/zinc/64/18/79/1014641879.db2.gz VBYZHIPZQBIJDX-HNNXBMFYSA-N 1 0 360.429 2.543 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(N)ccc2F)[NH+](C)C)cc1 ZINC000904506770 980289169 /nfs/dbraw/zinc/28/91/69/980289169.db2.gz OVSYXEGIDNEBFY-GOSISDBHSA-N 1 0 359.449 2.898 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)c1 ZINC000877678838 1014674026 /nfs/dbraw/zinc/67/40/26/1014674026.db2.gz SPBRFNQVXFAFMZ-UHFFFAOYSA-N 1 0 356.466 2.912 20 10 FFCDRO CC(=O)c1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000877894881 1014756559 /nfs/dbraw/zinc/75/65/59/1014756559.db2.gz DSQZNCLOUIICBP-UHFFFAOYSA-N 1 0 366.465 2.963 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC4(CCOCC4)CO3)CC2)cc1 ZINC000877912365 1014764328 /nfs/dbraw/zinc/76/43/28/1014764328.db2.gz SBAHQNRUKQWQLO-HXUWFJFHSA-N 1 0 360.498 2.793 20 10 FFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CC[NH2+]CC1 ZINC000237486001 981993077 /nfs/dbraw/zinc/99/30/77/981993077.db2.gz BFSYAPFZWJZTDE-KRWDZBQOSA-N 1 0 373.541 2.537 20 10 FFCDRO CCOc1ccc(-n2c(C)cc(C(O)=CONC(=[NH2+])CCO)c2C)cc1 ZINC000842041327 982626676 /nfs/dbraw/zinc/62/66/76/982626676.db2.gz ZUYKXVLCXJJPLU-UHFFFAOYSA-N 1 0 359.426 2.556 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CCOc3ccccc32)cc1 ZINC000911667097 983863594 /nfs/dbraw/zinc/86/35/94/983863594.db2.gz MSHKPNGCYFEGFE-WIYYLYMNSA-N 1 0 353.466 2.609 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(OC(F)F)cc2F)cc1 ZINC000911668195 983863808 /nfs/dbraw/zinc/86/38/08/983863808.db2.gz WAEGBQZTPMVVFN-INIZCTEOSA-N 1 0 367.371 2.923 20 10 FFCDRO CNC(=O)c1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000073165283 984048300 /nfs/dbraw/zinc/04/83/00/984048300.db2.gz WSRJZYOLGSOTJT-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000878357733 1015001795 /nfs/dbraw/zinc/00/17/95/1015001795.db2.gz GEUAALKAVWYRPB-FXAWDEMLSA-N 1 0 360.498 2.902 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN(c2ccc(OC)cc2)[C@@H](C)C2CC2)CC1 ZINC000151264682 984238142 /nfs/dbraw/zinc/23/81/42/984238142.db2.gz ARJGXQAJQSNKJR-INIZCTEOSA-N 1 0 359.514 2.901 20 10 FFCDRO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164417379 984366563 /nfs/dbraw/zinc/36/65/63/984366563.db2.gz NVNVDPFYCFEGDY-INIZCTEOSA-N 1 0 374.485 2.807 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)cc1C ZINC000996683615 984506153 /nfs/dbraw/zinc/50/61/53/984506153.db2.gz FLGDIMMJCDIQIM-QZTJIDSGSA-N 1 0 368.481 2.611 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCc3nnc4ccccn43)CC2)cc1 ZINC000764638512 984610646 /nfs/dbraw/zinc/61/06/46/984610646.db2.gz LDZHUNXHDWIQPE-UHFFFAOYSA-N 1 0 351.454 2.539 20 10 FFCDRO CC1(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000785433820 985113023 /nfs/dbraw/zinc/11/30/23/985113023.db2.gz FNXPBFXHHAGHFD-UHFFFAOYSA-N 1 0 355.461 2.832 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000765625110 985239632 /nfs/dbraw/zinc/23/96/32/985239632.db2.gz FCDCHMQXDSFRRK-PMACEKPBSA-N 1 0 360.546 2.736 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000172064091 985451979 /nfs/dbraw/zinc/45/19/79/985451979.db2.gz JMJVCDXJSWORGL-MRXNPFEDSA-N 1 0 359.426 2.630 20 10 FFCDRO CNC(=O)c1cccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000172148938 985466787 /nfs/dbraw/zinc/46/67/87/985466787.db2.gz RICDTFGLJYHWKT-UHFFFAOYSA-N 1 0 353.466 2.767 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cncc(C)c3)cc2F)CC1 ZINC000173114372 985754538 /nfs/dbraw/zinc/75/45/38/985754538.db2.gz WXXSTPHYJNUKQY-UHFFFAOYSA-N 1 0 356.445 2.601 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000174201905 986116687 /nfs/dbraw/zinc/11/66/87/986116687.db2.gz UBKIUFUPFJTBCA-IBGZPJMESA-N 1 0 367.493 2.888 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913681010 986815095 /nfs/dbraw/zinc/81/50/95/986815095.db2.gz MTBCJJLPNVDVED-UHFFFAOYSA-N 1 0 369.509 2.931 20 10 FFCDRO Cc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)n1-c1ccccn1 ZINC000916129514 989743977 /nfs/dbraw/zinc/74/39/77/989743977.db2.gz LYKMVAUIWOHIQH-UHFFFAOYSA-N 1 0 361.449 2.847 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000917017365 990093771 /nfs/dbraw/zinc/09/37/71/990093771.db2.gz PTZOHHRIDGJSEH-LJQANCHMSA-N 1 0 356.466 2.647 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000921052592 990962709 /nfs/dbraw/zinc/96/27/09/990962709.db2.gz FPCBHHGGNPGICA-WBVHZDCISA-N 1 0 356.466 2.909 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCCCO3)C[C@H]2C)cc1C ZINC001082470641 994697672 /nfs/dbraw/zinc/69/76/72/994697672.db2.gz WJWWFSAVJOMHIV-NZSAHSFTSA-N 1 0 360.498 2.899 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593297124 994701173 /nfs/dbraw/zinc/70/11/73/994701173.db2.gz RJMRNBWBQREEQQ-KDOFPFPSSA-N 1 0 370.449 2.508 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCOCC3)C[C@H]2C)cc1C ZINC001082492141 994743997 /nfs/dbraw/zinc/74/39/97/994743997.db2.gz HCPZXQDTMVMIQM-NZSAHSFTSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1 ZINC000747622665 994868796 /nfs/dbraw/zinc/86/87/96/994868796.db2.gz TZISPXRMHNBFHN-GOSISDBHSA-N 1 0 359.466 2.962 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001132898989 995193439 /nfs/dbraw/zinc/19/34/39/995193439.db2.gz IZCJVJZBZKUSSF-SFTDATJTSA-N 1 0 367.468 2.997 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000812294307 995408435 /nfs/dbraw/zinc/40/84/35/995408435.db2.gz JZJCHIMOXICULI-HNNXBMFYSA-N 1 0 351.406 2.976 20 10 FFCDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000729983807 996770211 /nfs/dbraw/zinc/77/02/11/996770211.db2.gz SYCLZHMXMWNODF-LJQANCHMSA-N 1 0 355.482 2.935 20 10 FFCDRO Cc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnn1C1CCOCC1 ZINC000824517447 996969780 /nfs/dbraw/zinc/96/97/80/996969780.db2.gz VIJGWFLMCWKSCF-UHFFFAOYSA-N 1 0 369.513 2.907 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000824681195 997050268 /nfs/dbraw/zinc/05/02/68/997050268.db2.gz FYWBPUOLVGVENI-MJGOQNOKSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC3(C)CC[NH+](C)CC3)C2)cc1 ZINC000824685221 997052061 /nfs/dbraw/zinc/05/20/61/997052061.db2.gz BGQYKNAYTJSEOS-KRWDZBQOSA-N 1 0 374.529 2.553 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000825160855 997250685 /nfs/dbraw/zinc/25/06/85/997250685.db2.gz WPONQZRNEIVPMP-UHFFFAOYSA-N 1 0 373.884 2.792 20 10 FFCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000844172353 997692789 /nfs/dbraw/zinc/69/27/89/997692789.db2.gz GNOXQNQYKQTQEX-HUUCEWRRSA-N 1 0 365.493 2.821 20 10 FFCDRO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084862111 997710538 /nfs/dbraw/zinc/71/05/38/997710538.db2.gz VGRBQBMKZRGJQH-JGGQBBKZSA-N 1 0 361.421 2.743 20 10 FFCDRO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084862112 997711710 /nfs/dbraw/zinc/71/17/10/997711710.db2.gz VGRBQBMKZRGJQH-XNRPHZJLSA-N 1 0 361.421 2.743 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2c(O)cc(O)cc2O)CC1 ZINC001144504710 998613009 /nfs/dbraw/zinc/61/30/09/998613009.db2.gz ZZAAIPNVNNHQOB-UHFFFAOYSA-N 1 0 364.442 2.779 20 10 FFCDRO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509356 998622758 /nfs/dbraw/zinc/62/27/58/998622758.db2.gz UNRKCRVOXZVBOA-UHFFFAOYSA-N 1 0 372.396 2.572 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)ncn2)cc1C ZINC001085172621 999066147 /nfs/dbraw/zinc/06/61/47/999066147.db2.gz HSNZDFGWPUVRCE-QZTJIDSGSA-N 1 0 368.481 2.933 20 10 FFCDRO COc1ccc(N2CC[NH+](CCc3nc4ccccc4n3C)CC2)cc1 ZINC000736308872 999551152 /nfs/dbraw/zinc/55/11/52/999551152.db2.gz UPDOFYFVBNMANO-UHFFFAOYSA-N 1 0 350.466 2.947 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742390985 999771650 /nfs/dbraw/zinc/77/16/50/999771650.db2.gz XYTZTGKIEYALRH-UZLBHIALSA-N 1 0 367.497 2.694 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000743564203 999823524 /nfs/dbraw/zinc/82/35/24/999823524.db2.gz FXXOEXZRVJQBKW-PXNSSMCTSA-N 1 0 374.529 2.710 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC000743852942 999833687 /nfs/dbraw/zinc/83/36/87/999833687.db2.gz MIARQRSBIWGBIR-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CCC[N@H+](CC)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000746107478 999949451 /nfs/dbraw/zinc/94/94/51/999949451.db2.gz IISVYTIHCHYAQT-HZPDHXFCSA-N 1 0 365.493 2.787 20 10 FFCDRO CS(=O)(=O)C1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC001169863372 1000082665 /nfs/dbraw/zinc/08/26/65/1000082665.db2.gz IEIQQVANYONGNB-UHFFFAOYSA-N 1 0 362.289 2.600 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCc2ccccc21 ZINC000846011753 1000193183 /nfs/dbraw/zinc/19/31/83/1000193183.db2.gz PHCQZRDKUWHSBY-QFIPXVFZSA-N 1 0 370.468 2.628 20 10 FFCDRO COc1ccc(O)c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000846050239 1000197673 /nfs/dbraw/zinc/19/76/73/1000197673.db2.gz ZMAAVMNMERWCOY-IFMALSPDSA-N 1 0 368.477 2.876 20 10 FFCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000846097211 1000207233 /nfs/dbraw/zinc/20/72/33/1000207233.db2.gz NSYKCKPBFNFWBN-QGZVFWFLSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)c1O ZINC000846153074 1000210538 /nfs/dbraw/zinc/21/05/38/1000210538.db2.gz FJJRGELNMVYLDS-UKRRQHHQSA-N 1 0 356.422 2.866 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1O ZINC000846156836 1000211223 /nfs/dbraw/zinc/21/12/23/1000211223.db2.gz YKKFHJQLGRUEGK-AWEZNQCLSA-N 1 0 356.422 2.867 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](COCc3ccccc3)C1)[C@@H](O)CO2 ZINC000768465597 1000263220 /nfs/dbraw/zinc/26/32/20/1000263220.db2.gz IUUPPICMSVMBBJ-JXFKEZNVSA-N 1 0 355.434 2.857 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000768753049 1000339307 /nfs/dbraw/zinc/33/93/07/1000339307.db2.gz KQQWNERKUFSXGU-UHFFFAOYSA-N 1 0 352.482 2.643 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000846677751 1000406590 /nfs/dbraw/zinc/40/65/90/1000406590.db2.gz SGZOXQKBWXBHHY-YSIASYRMSA-N 1 0 359.514 2.778 20 10 FFCDRO CN(CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(-c2nccs2)cc1 ZINC000846990804 1000506690 /nfs/dbraw/zinc/50/66/90/1000506690.db2.gz FNLVIHCBSGIRME-UHFFFAOYSA-N 1 0 370.522 2.989 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)c1 ZINC000772983452 1000940288 /nfs/dbraw/zinc/94/02/88/1000940288.db2.gz IJTNEKBCFJNAHU-ZDUSSCGKSA-N 1 0 374.437 2.925 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C)C3(CCC3)C1)cc2=O ZINC000771461602 1001108897 /nfs/dbraw/zinc/10/88/97/1001108897.db2.gz GVXODFXJAZIAOZ-CYBMUJFWSA-N 1 0 358.442 2.624 20 10 FFCDRO CN(C(=O)/C=C\c1cnccn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000771444451 1001116132 /nfs/dbraw/zinc/11/61/32/1001116132.db2.gz DOBMPHXBUMJBEB-WTKPLQERSA-N 1 0 352.438 2.627 20 10 FFCDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000772443124 1001395421 /nfs/dbraw/zinc/39/54/21/1001395421.db2.gz IIZQASGIZVAKFG-WMZOPIPTSA-N 1 0 352.482 2.943 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c1O ZINC000787240698 1001679599 /nfs/dbraw/zinc/67/95/99/1001679599.db2.gz QVHFVFANUXBKCO-TZMCWYRMSA-N 1 0 357.406 2.715 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000788537916 1001816975 /nfs/dbraw/zinc/81/69/75/1001816975.db2.gz YYBVCLSOSNXWNH-APWZRJJASA-N 1 0 363.458 2.869 20 10 FFCDRO CC[C@H](Cn1cncn1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000788590506 1001828263 /nfs/dbraw/zinc/82/82/63/1001828263.db2.gz WFXFGPRVZQKONB-CQSZACIVSA-N 1 0 365.428 2.917 20 10 FFCDRO CNc1nc(NCc2ccccc2O)nc(NCc2ccccc2O)[nH+]1 ZINC000774523174 1001972966 /nfs/dbraw/zinc/97/29/66/1001972966.db2.gz FZTNSQBUIOFARF-UHFFFAOYSA-N 1 0 352.398 2.549 20 10 FFCDRO CC(C)(CNC(=O)c1c(F)ccc(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000789964183 1002240464 /nfs/dbraw/zinc/24/04/64/1002240464.db2.gz KTTIEGQICQVESZ-UHFFFAOYSA-N 1 0 358.413 2.804 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@]3(C)Br)CC2)c(OC)c1 ZINC001183418969 1002267839 /nfs/dbraw/zinc/26/78/39/1002267839.db2.gz FVZAGECGGLOTHC-SUMWQHHRSA-N 1 0 369.303 2.999 20 10 FFCDRO COc1c(O)c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000774823199 1002811129 /nfs/dbraw/zinc/81/11/29/1002811129.db2.gz QHXYRZZHOYRWSK-UHFFFAOYSA-N 1 0 360.366 2.712 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCC3(C)CC3)CC2)cc1 ZINC000792007365 1002878098 /nfs/dbraw/zinc/87/80/98/1002878098.db2.gz MSGPCSVLYLAAQF-UHFFFAOYSA-N 1 0 374.529 2.697 20 10 FFCDRO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000103514369 1003068193 /nfs/dbraw/zinc/06/81/93/1003068193.db2.gz RDTNSBOMDJTVBF-QGZVFWFLSA-N 1 0 374.529 2.567 20 10 FFCDRO COc1ccc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(O)c1 ZINC000792839890 1003207706 /nfs/dbraw/zinc/20/77/06/1003207706.db2.gz AWWUMMUELFVOFU-GJZGRUSLSA-N 1 0 363.502 2.957 20 10 FFCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000793594531 1003433028 /nfs/dbraw/zinc/43/30/28/1003433028.db2.gz FEPUQUBDRBFQPE-NRFANRHFSA-N 1 0 371.433 2.726 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCN1CCCS1(=O)=O)Cc1ccccc1O ZINC000776001963 1004995254 /nfs/dbraw/zinc/99/52/54/1004995254.db2.gz CEXJJQCLJHOCBU-KRWDZBQOSA-N 1 0 374.506 2.991 20 10 FFCDRO CN1CCc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2C1=O ZINC001201124570 1005176167 /nfs/dbraw/zinc/17/61/67/1005176167.db2.gz TVCFDHFUZJNYMN-UHFFFAOYSA-N 1 0 364.493 2.679 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000776218087 1005282125 /nfs/dbraw/zinc/28/21/25/1005282125.db2.gz WRMPZNFTTBVTLS-NZSAHSFTSA-N 1 0 352.434 2.647 20 10 FFCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000850060228 1005782236 /nfs/dbraw/zinc/78/22/36/1005782236.db2.gz SJZLYPUUXVHKQT-QGZVFWFLSA-N 1 0 373.522 2.886 20 10 FFCDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000850073122 1005782819 /nfs/dbraw/zinc/78/28/19/1005782819.db2.gz UQZIGFRBDWCZRQ-UHFFFAOYSA-N 1 0 354.498 2.796 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000850345958 1005808983 /nfs/dbraw/zinc/80/89/83/1005808983.db2.gz AOZOLWOOLJPPMH-SFHVURJKSA-N 1 0 363.465 2.704 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc1 ZINC000850345887 1005809026 /nfs/dbraw/zinc/80/90/26/1005809026.db2.gz NASZCUBAPDQKNB-HNNXBMFYSA-N 1 0 357.410 2.981 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3Cc4ccccc4N(C)C3=O)CC2)cc1 ZINC000850353038 1005809789 /nfs/dbraw/zinc/80/97/89/1005809789.db2.gz QOSQKIZUPWDWQM-FQEVSTJZSA-N 1 0 365.477 2.841 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)CC1 ZINC000850406018 1005813682 /nfs/dbraw/zinc/81/36/82/1005813682.db2.gz OLWNIWCWZJMNTO-UHFFFAOYSA-N 1 0 363.465 2.723 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000850480636 1005817882 /nfs/dbraw/zinc/81/78/82/1005817882.db2.gz AQFQFPCPYOFVPZ-WMZOPIPTSA-N 1 0 359.466 2.980 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000850566742 1005823011 /nfs/dbraw/zinc/82/30/11/1005823011.db2.gz RUJHAQSEBYSUBY-UHFFFAOYSA-N 1 0 366.509 2.801 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000850567347 1005823067 /nfs/dbraw/zinc/82/30/67/1005823067.db2.gz AFWYXTOPGQBCHN-IBGZPJMESA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000109771178 1005862463 /nfs/dbraw/zinc/86/24/63/1005862463.db2.gz UAZVUCOATPJULQ-UHFFFAOYSA-N 1 0 359.382 2.770 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)c1ccccc1O ZINC000851898428 1005921186 /nfs/dbraw/zinc/92/11/86/1005921186.db2.gz WAZDYHYZYNHROG-HOCLYGCPSA-N 1 0 362.470 2.766 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC000852199748 1005950516 /nfs/dbraw/zinc/95/05/16/1005950516.db2.gz CNASTYMVVIATGZ-MSOLQXFVSA-N 1 0 374.529 2.551 20 10 FFCDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852355923 1005990865 /nfs/dbraw/zinc/99/08/65/1005990865.db2.gz NYRJLYFMDJWXEG-HNNXBMFYSA-N 1 0 365.493 2.693 20 10 FFCDRO CC[C@H](C)CONC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000813633333 1006006653 /nfs/dbraw/zinc/00/66/53/1006006653.db2.gz XTJODTPFSAIJML-HNNXBMFYSA-N 1 0 366.481 2.745 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000852803743 1006192962 /nfs/dbraw/zinc/19/29/62/1006192962.db2.gz PBKBRCRQXYHTID-QGZVFWFLSA-N 1 0 367.497 2.653 20 10 FFCDRO O=C(c1cc2c(s1)CC[NH2+]C2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000852804407 1006193232 /nfs/dbraw/zinc/19/32/32/1006193232.db2.gz APBZCBZZKKWSIR-INIZCTEOSA-N 1 0 372.490 2.921 20 10 FFCDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1 ZINC000852916469 1006230721 /nfs/dbraw/zinc/23/07/21/1006230721.db2.gz JSFCQBZTKAWYBY-LJQANCHMSA-N 1 0 373.884 2.617 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnnn2-c2ccccc2)ccc1N1CCOCC1 ZINC000814297603 1006242712 /nfs/dbraw/zinc/24/27/12/1006242712.db2.gz JGENCRMVLLLMHY-UHFFFAOYSA-N 1 0 367.428 2.533 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000814909604 1006463554 /nfs/dbraw/zinc/46/35/54/1006463554.db2.gz LLLHGTFDAXSGRM-SUOMESGTSA-N 1 0 359.426 2.703 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000815082529 1006511168 /nfs/dbraw/zinc/51/11/68/1006511168.db2.gz WKWKCQALZIGDQV-IERDGZPVSA-N 1 0 358.457 2.917 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC001134882443 1006526668 /nfs/dbraw/zinc/52/66/68/1006526668.db2.gz PZERKLLTERWYNK-VQTJNVASSA-N 1 0 367.493 2.865 20 10 FFCDRO Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1nnc2n1CCOC2 ZINC000815619665 1006714681 /nfs/dbraw/zinc/71/46/81/1006714681.db2.gz UOFZXZVQGDKAKU-SFHVURJKSA-N 1 0 364.449 2.978 20 10 FFCDRO Cc1cc(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C)n1-c1ccccc1 ZINC000854742527 1006969879 /nfs/dbraw/zinc/96/98/79/1006969879.db2.gz DWEKWRNVJNLFJS-NRFANRHFSA-N 1 0 369.509 2.600 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775256528 1007087587 /nfs/dbraw/zinc/08/75/87/1007087587.db2.gz ZLRYTVQCIULVTI-KURKYZTESA-N 1 0 359.514 2.678 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816537691 1007103792 /nfs/dbraw/zinc/10/37/92/1007103792.db2.gz OOMGPKHQSXTUER-UHFFFAOYSA-N 1 0 370.474 2.884 20 10 FFCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000816562313 1007119880 /nfs/dbraw/zinc/11/98/80/1007119880.db2.gz GYKSTVHRJCMQQF-QFBILLFUSA-N 1 0 367.493 2.815 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(O)c1 ZINC000816641531 1007146866 /nfs/dbraw/zinc/14/68/66/1007146866.db2.gz VDJRSDIMNSAPLY-LJQANCHMSA-N 1 0 354.450 2.724 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN2C[C@H](C(C)C)Cc3cc(OC)ccc32)CC1 ZINC000817299529 1007530671 /nfs/dbraw/zinc/53/06/71/1007530671.db2.gz ZUXLFYSGJJKAJT-GOSISDBHSA-N 1 0 373.541 2.930 20 10 FFCDRO Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(O)c1O ZINC000855735868 1007532470 /nfs/dbraw/zinc/53/24/70/1007532470.db2.gz XMXQCMDMILHSTF-QGZVFWFLSA-N 1 0 354.450 2.795 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000818638322 1007957856 /nfs/dbraw/zinc/95/78/56/1007957856.db2.gz VKAWSPQBHWPCHJ-UHFFFAOYSA-N 1 0 355.438 2.537 20 10 FFCDRO C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCCc3ccc(O)c(O)c3)c2)C1 ZINC000857158462 1008074388 /nfs/dbraw/zinc/07/43/88/1008074388.db2.gz HYGPLPUWUSSXLP-SFHVURJKSA-N 1 0 354.450 2.880 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819379103 1008127138 /nfs/dbraw/zinc/12/71/38/1008127138.db2.gz CCXATHASJHHAAT-YWZLYKJASA-N 1 0 371.437 2.753 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115515418 1008198606 /nfs/dbraw/zinc/19/86/06/1008198606.db2.gz GRYZVBFDEZCSII-INIZCTEOSA-N 1 0 354.406 2.748 20 10 FFCDRO COc1ccc(C(=O)NCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000858102887 1008302083 /nfs/dbraw/zinc/30/20/83/1008302083.db2.gz KKCIESJJRUHZPO-UHFFFAOYSA-N 1 0 363.408 2.559 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)C1 ZINC000858104616 1008302690 /nfs/dbraw/zinc/30/26/90/1008302690.db2.gz RDMWBSDMHBFLIE-QGZVFWFLSA-N 1 0 363.465 2.554 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(C)ccc2O)[C@H](C)C1 ZINC000858226917 1008328521 /nfs/dbraw/zinc/32/85/21/1008328521.db2.gz QROZXAMLRZUKQB-AEFFLSMTSA-N 1 0 363.502 2.637 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000858238356 1008330383 /nfs/dbraw/zinc/33/03/83/1008330383.db2.gz YKWOFRIIJNBDBE-UHFFFAOYSA-N 1 0 354.450 2.992 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000820581345 1008350752 /nfs/dbraw/zinc/35/07/52/1008350752.db2.gz QEBVHTXAOZRLGC-GQCTYLIASA-N 1 0 359.426 2.703 20 10 FFCDRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000116350783 1008426200 /nfs/dbraw/zinc/42/62/00/1008426200.db2.gz KTLRWACXYYTYGF-LJQANCHMSA-N 1 0 365.477 2.698 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(N(C)C)cc1 ZINC000777113668 1008566403 /nfs/dbraw/zinc/56/64/03/1008566403.db2.gz HIZLXQJEUVLNGD-ZOCIIQOWSA-N 1 0 355.486 2.721 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1 ZINC000859615585 1008589945 /nfs/dbraw/zinc/58/99/45/1008589945.db2.gz RQPMVVCZNNPYFU-NRFANRHFSA-N 1 0 361.530 2.632 20 10 FFCDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCO1 ZINC000886324917 1008637274 /nfs/dbraw/zinc/63/72/74/1008637274.db2.gz LWLLADHTXIXGCQ-AZUAARDMSA-N 1 0 359.514 2.682 20 10 FFCDRO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1C ZINC000886325007 1008637443 /nfs/dbraw/zinc/63/74/43/1008637443.db2.gz PTFHPAZWTPOWTE-UHFFFAOYSA-N 1 0 369.513 2.511 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)CC1 ZINC000886325117 1008637689 /nfs/dbraw/zinc/63/76/89/1008637689.db2.gz VDXWUGWGEVBUER-UHFFFAOYSA-N 1 0 364.493 2.562 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)CC1 ZINC000886325083 1008637736 /nfs/dbraw/zinc/63/77/36/1008637736.db2.gz SRIHIKZDMZEJRX-UHFFFAOYSA-N 1 0 359.420 2.956 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC001177729821 1008716628 /nfs/dbraw/zinc/71/66/28/1008716628.db2.gz XZPFJYSWQFWDJM-GOSISDBHSA-N 1 0 367.559 2.827 20 10 FFCDRO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000860207164 1008890795 /nfs/dbraw/zinc/89/07/95/1008890795.db2.gz HVKXGMGRLVXYQQ-NRFANRHFSA-N 1 0 368.481 2.513 20 10 FFCDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001178204530 1008906178 /nfs/dbraw/zinc/90/61/78/1008906178.db2.gz TUCQXBAUAHGLMU-CYBMUJFWSA-N 1 0 352.398 2.595 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)cc1 ZINC000773732777 1008919898 /nfs/dbraw/zinc/91/98/98/1008919898.db2.gz SOJSKYXZOVJLFO-UHFFFAOYSA-N 1 0 360.546 2.519 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823247475 1008994912 /nfs/dbraw/zinc/99/49/12/1008994912.db2.gz GBORCXJALBYISS-IRXDYDNUSA-N 1 0 362.518 2.551 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)cc1 ZINC000823775967 1009224744 /nfs/dbraw/zinc/22/47/44/1009224744.db2.gz JBVXAAICYYXSNZ-KRWDZBQOSA-N 1 0 357.498 2.514 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 ZINC001179458518 1009341634 /nfs/dbraw/zinc/34/16/34/1009341634.db2.gz UZYYYDKOYMJSSZ-SREVYHEPSA-N 1 0 365.543 2.606 20 10 FFCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000861545351 1009457507 /nfs/dbraw/zinc/45/75/07/1009457507.db2.gz WPBADMKHEOKQEV-SUMWQHHRSA-N 1 0 351.410 2.907 20 10 FFCDRO C[N@@H+]1C[C@H](C(=O)NCc2ccc3cccnc3c2O)[C@@H](c2ccccc2)C1 ZINC000862024598 1009666636 /nfs/dbraw/zinc/66/66/36/1009666636.db2.gz CATGKVYSUVXWNT-MOPGFXCFSA-N 1 0 361.445 2.902 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000862141955 1009716953 /nfs/dbraw/zinc/71/69/53/1009716953.db2.gz SVPOVDJFQYLQOT-RVWIWJKTSA-N 1 0 367.493 2.906 20 10 FFCDRO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000862427696 1009840381 /nfs/dbraw/zinc/84/03/81/1009840381.db2.gz CTWMLLLGXNPZPI-QFIPXVFZSA-N 1 0 352.478 2.833 20 10 FFCDRO CC(C)O[C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889660678 1010044247 /nfs/dbraw/zinc/04/42/47/1010044247.db2.gz FRXAGRPIITWZJC-FQEVSTJZSA-N 1 0 374.529 2.537 20 10 FFCDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001181577640 1010156782 /nfs/dbraw/zinc/15/67/82/1010156782.db2.gz VWDWRCNZJMTXNE-OAHLLOKOSA-N 1 0 366.458 2.900 20 10 FFCDRO Cc1nnc(COC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[nH]1 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IBWDMCSASZMLIV-RDTXWAMCSA-N 1 0 370.497 2.841 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cc2)C1 ZINC000866236385 1010958477 /nfs/dbraw/zinc/95/84/77/1010958477.db2.gz AJFBAQPMUUIYHK-HLAWJBBLSA-N 1 0 371.525 2.826 20 10 FFCDRO C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2O)CC1 ZINC000121149214 1011023531 /nfs/dbraw/zinc/02/35/31/1011023531.db2.gz BFGAVWAIWQDLLC-SFHVURJKSA-N 1 0 367.493 2.729 20 10 FFCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171501430 1011359251 /nfs/dbraw/zinc/35/92/51/1011359251.db2.gz YMQZLEFCLSIJEB-ZBEGNZNMSA-N 1 0 353.340 2.696 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccnc(N2CCSCC2)c1)c1ccccc1O ZINC000868952594 1011545717 /nfs/dbraw/zinc/54/57/17/1011545717.db2.gz JWGLLDFPIXAGEC-CQSZACIVSA-N 1 0 372.494 2.901 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCC4)CC[C@H]32)ccc1N(C)C ZINC001139670965 1032572806 /nfs/dbraw/zinc/57/28/06/1032572806.db2.gz IMXCUZRQBZWESL-NJYVYQBISA-N 1 0 371.525 2.805 20 10 FFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275026628 1011827683 /nfs/dbraw/zinc/82/76/83/1011827683.db2.gz NVGJOPCLCQJHPC-OAQYLSRUSA-N 1 0 357.498 2.740 20 10 FFCDRO O=C1N(CCC(F)(F)F)CCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001275035377 1011842894 /nfs/dbraw/zinc/84/28/94/1011842894.db2.gz SKYCYZWSEAHIPX-UHFFFAOYSA-N 1 0 372.387 2.865 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(C)c3O)cc2F)CC1 ZINC000303304595 1012006654 /nfs/dbraw/zinc/00/66/54/1012006654.db2.gz NMAGXJIWZFUQHE-UHFFFAOYSA-N 1 0 371.456 2.912 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275238513 1012122350 /nfs/dbraw/zinc/12/23/50/1012122350.db2.gz JTQRHOMCBJUKMZ-OAQYLSRUSA-N 1 0 360.498 2.942 20 10 FFCDRO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001275248658 1012138953 /nfs/dbraw/zinc/13/89/53/1012138953.db2.gz QCDXFICJPAATJP-ZDUSSCGKSA-N 1 0 364.873 2.838 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@H]3CCc4ncsc4C3)CC2)cc1 ZINC001173138616 1012284065 /nfs/dbraw/zinc/28/40/65/1012284065.db2.gz BVAYWMWOBAJMMD-KRWDZBQOSA-N 1 0 373.522 2.848 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001275598168 1012675606 /nfs/dbraw/zinc/67/56/06/1012675606.db2.gz NARYIIGKVDIMDC-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924647612 1017396083 /nfs/dbraw/zinc/39/60/83/1017396083.db2.gz IHAHIQVIHJRFRS-UHFFFAOYSA-N 1 0 355.486 2.945 20 10 FFCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924731703 1017453459 /nfs/dbraw/zinc/45/34/59/1017453459.db2.gz ZLOSIDVPFOQYTG-HOJAQTOUSA-N 1 0 359.514 2.539 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000925402787 1017729971 /nfs/dbraw/zinc/72/99/71/1017729971.db2.gz CYMPMJKMTBWDAY-GOSISDBHSA-N 1 0 356.470 2.762 20 10 FFCDRO C[C@H]1C[C@H](NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c2ncnn21 ZINC000925677195 1017813848 /nfs/dbraw/zinc/81/38/48/1017813848.db2.gz ORXZDSWFDHHEAO-JXFKEZNVSA-N 1 0 366.513 2.606 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000925900965 1017889076 /nfs/dbraw/zinc/88/90/76/1017889076.db2.gz VDMFIHANZFBLDJ-RDTXWAMCSA-N 1 0 372.469 2.849 20 10 FFCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926873092 1018276106 /nfs/dbraw/zinc/27/61/06/1018276106.db2.gz KIWIQMPSFLPOSN-PMACEKPBSA-N 1 0 359.514 2.539 20 10 FFCDRO CC[N@@H+]1CCCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)CC1 ZINC000827650261 1018582539 /nfs/dbraw/zinc/58/25/39/1018582539.db2.gz UYTVCQHNVFGINZ-UHFFFAOYSA-N 1 0 358.461 2.839 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)cc1 ZINC000390507488 1019845834 /nfs/dbraw/zinc/84/58/34/1019845834.db2.gz SAXAJIWAJASFSU-SFHVURJKSA-N 1 0 363.502 2.868 20 10 FFCDRO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1 ZINC000725803682 1020263666 /nfs/dbraw/zinc/26/36/66/1020263666.db2.gz NVEPODGGMWPGIM-FXAWDEMLSA-N 1 0 359.514 2.602 20 10 FFCDRO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1 ZINC000725803684 1020264044 /nfs/dbraw/zinc/26/40/44/1020264044.db2.gz NVEPODGGMWPGIM-PXNSSMCTSA-N 1 0 359.514 2.602 20 10 FFCDRO CC(=O)N1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000726608425 1020494602 /nfs/dbraw/zinc/49/46/02/1020494602.db2.gz ZVRFZSPJLJYUMH-UHFFFAOYSA-N 1 0 367.440 2.857 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000726697569 1020509079 /nfs/dbraw/zinc/50/90/79/1020509079.db2.gz QUUDQKCABAVGGD-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217947190 1032914327 /nfs/dbraw/zinc/91/43/27/1032914327.db2.gz QSJAOGODSPJRPT-GOEBONIOSA-N 1 0 355.365 2.637 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1F ZINC000800899553 1020632699 /nfs/dbraw/zinc/63/26/99/1020632699.db2.gz OBEMUENIZOTNSQ-KRWDZBQOSA-N 1 0 371.456 2.661 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1C ZINC000800898969 1020632913 /nfs/dbraw/zinc/63/29/13/1020632913.db2.gz DJUYONGHMZOLFL-SFHVURJKSA-N 1 0 354.450 2.773 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCC4)cc2)C1 ZINC000903075299 1020665133 /nfs/dbraw/zinc/66/51/33/1020665133.db2.gz SYMVMZMXTWWVHA-PKOBYXMFSA-N 1 0 357.498 2.580 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3C[NH2+]CCC[C@@H]3F)cccc21 ZINC001217980536 1032931255 /nfs/dbraw/zinc/93/12/55/1032931255.db2.gz ZIABVUARPNDKEN-BBRMVZONSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cc2c(cc1O)CCCC2 ZINC000903371833 1020810349 /nfs/dbraw/zinc/81/03/49/1020810349.db2.gz FTRFBAQIJGXWSB-OAHLLOKOSA-N 1 0 361.482 2.970 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001217986225 1032935055 /nfs/dbraw/zinc/93/50/55/1032935055.db2.gz FIEKTNNXROWHGL-NHYWBVRUSA-N 1 0 367.401 2.640 20 10 FFCDRO C[C@@H](Oc1cccc2c1C(=O)c1c(O)cccc1C2=O)C1CC[NH2+]CC1 ZINC001218003138 1032944643 /nfs/dbraw/zinc/94/46/43/1032944643.db2.gz YIGRHOBHARWIPD-GFCCVEGCSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4C)C2=O)n(C)n1 ZINC001116588365 1021296835 /nfs/dbraw/zinc/29/68/35/1021296835.db2.gz DHUSKTLBWSLKAP-AEGPPILISA-N 1 0 354.454 2.686 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CNc4ccccc4C3)cc2F)CC1 ZINC001118236649 1022135251 /nfs/dbraw/zinc/13/52/51/1022135251.db2.gz XFFLDAPEDLEDGQ-SFHVURJKSA-N 1 0 354.473 2.704 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000155661682 1022275520 /nfs/dbraw/zinc/27/55/20/1022275520.db2.gz MRYLVJZHYKDTRN-QGZVFWFLSA-N 1 0 363.502 2.986 20 10 FFCDRO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2c(O)cccc2Br)C1 ZINC001118855329 1022443261 /nfs/dbraw/zinc/44/32/61/1022443261.db2.gz FKHDFSHNEOOVHD-LBPRGKRZSA-N 1 0 355.276 2.893 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218310816 1033097737 /nfs/dbraw/zinc/09/77/37/1033097737.db2.gz AHRIXELNBRLDBN-MRXNPFEDSA-N 1 0 351.402 2.935 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C3CC3)C3CCCC3)CC2)cc1 ZINC000754031050 1023417512 /nfs/dbraw/zinc/41/75/12/1023417512.db2.gz QOUWMIGXIJCDKZ-OAQYLSRUSA-N 1 0 373.541 2.585 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(C(=O)OC)CCC1 ZINC000779339862 1023697485 /nfs/dbraw/zinc/69/74/85/1023697485.db2.gz GDLSOIOFLQSRKY-GOSISDBHSA-N 1 0 364.461 2.874 20 10 FFCDRO COc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)ccc1OCC(N)=O ZINC000756481905 1023718309 /nfs/dbraw/zinc/71/83/09/1023718309.db2.gz FEVDMALJDDSJPK-RISCZKNCSA-N 1 0 374.412 2.742 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(Cl)ccc1O ZINC000756524456 1023723116 /nfs/dbraw/zinc/72/31/16/1023723116.db2.gz JEQQNPQJLOGCER-WYRIXSBYSA-N 1 0 373.840 2.951 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756526007 1023723173 /nfs/dbraw/zinc/72/31/73/1023723173.db2.gz PAHZCKSGZQUMEI-UZLBHIALSA-N 1 0 373.541 2.864 20 10 FFCDRO CN1Cc2ccccc2[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000756994965 1023777440 /nfs/dbraw/zinc/77/74/40/1023777440.db2.gz ACDQIYSIXXMLMC-FQEVSTJZSA-N 1 0 355.457 2.939 20 10 FFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000757624587 1023838622 /nfs/dbraw/zinc/83/86/22/1023838622.db2.gz VLQCKPPCCSVTEW-KXBFYZLASA-N 1 0 374.554 2.522 20 10 FFCDRO Cc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000078778466 1023942949 /nfs/dbraw/zinc/94/29/49/1023942949.db2.gz WLWHEIGJAHJKNT-OAQYLSRUSA-N 1 0 370.493 2.703 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCCc2cccc(O)c2)cc1 ZINC001121809958 1024051764 /nfs/dbraw/zinc/05/17/64/1024051764.db2.gz PIMQKKORZLJIPL-HXUWFJFHSA-N 1 0 355.482 2.987 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@](C)([NH3+])c3ccccc3)CC2)cc1 ZINC000192527612 1024209013 /nfs/dbraw/zinc/20/90/13/1024209013.db2.gz JPDWBKFUPAYCNB-OAQYLSRUSA-N 1 0 353.466 2.654 20 10 FFCDRO CC[C@](C)(OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000795226832 1025363212 /nfs/dbraw/zinc/36/32/12/1025363212.db2.gz IRUZVTDXCYZMQB-NRFANRHFSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4c(c3)OCCN4C)O2)n1 ZINC001141141968 1025509528 /nfs/dbraw/zinc/50/95/28/1025509528.db2.gz BKTXVWOTSRWOSJ-KZNAEPCWSA-N 1 0 370.453 2.701 20 10 FFCDRO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143714 1025518219 /nfs/dbraw/zinc/51/82/19/1025518219.db2.gz GYZKOQYHHUVWKB-LJQANCHMSA-N 1 0 359.514 2.590 20 10 FFCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146214 1025522561 /nfs/dbraw/zinc/52/25/61/1025522561.db2.gz OSJPEQHCSDAYLQ-QGZVFWFLSA-N 1 0 369.465 2.962 20 10 FFCDRO COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145841 1025523175 /nfs/dbraw/zinc/52/31/75/1025523175.db2.gz IUHVFLPCZGGDDH-MRXNPFEDSA-N 1 0 355.438 2.572 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)C1 ZINC000838988008 1026559134 /nfs/dbraw/zinc/55/91/34/1026559134.db2.gz WHBDHLHOODLJEF-GOSISDBHSA-N 1 0 364.493 2.562 20 10 FFCDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000839185509 1026615386 /nfs/dbraw/zinc/61/53/86/1026615386.db2.gz UXNMPIKUKGAZMQ-GOSISDBHSA-N 1 0 374.456 2.537 20 10 FFCDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839519183 1026712109 /nfs/dbraw/zinc/71/21/09/1026712109.db2.gz GGSFZJYXYLSHFE-IIBYNOLFSA-N 1 0 361.530 2.536 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)cc1C ZINC000840116516 1026963822 /nfs/dbraw/zinc/96/38/22/1026963822.db2.gz ZDMRJXVSNQCSHH-GOSISDBHSA-N 1 0 371.481 2.839 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCCc1ccccc13)[C@H](O)CO2 ZINC000840154290 1026987686 /nfs/dbraw/zinc/98/76/86/1026987686.db2.gz SSNGTGYNDPZCJM-HXUWFJFHSA-N 1 0 367.445 2.882 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000840322849 1027048058 /nfs/dbraw/zinc/04/80/58/1027048058.db2.gz UIVIDLFPPWDIEQ-LZLYRXPVSA-N 1 0 358.530 2.916 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cccc(OCC)c3O)CC2)n1 ZINC000092034014 1027204984 /nfs/dbraw/zinc/20/49/84/1027204984.db2.gz HZCGFLIGAJXKHD-UHFFFAOYSA-N 1 0 357.454 2.907 20 10 FFCDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758039 1027238338 /nfs/dbraw/zinc/23/83/38/1027238338.db2.gz MELSVYCRDPHREQ-QGZVFWFLSA-N 1 0 362.424 2.702 20 10 FFCDRO CCOc1ccc(O)c(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000092665991 1027393986 /nfs/dbraw/zinc/39/39/86/1027393986.db2.gz CXACXAWTASMWFI-QZTJIDSGSA-N 1 0 361.530 2.781 20 10 FFCDRO CC[C@@H](CNC(=O)c1ccc(C)c(O)c1O)[N@@H+]1CCc2ccccc2C1 ZINC000780881696 1028846711 /nfs/dbraw/zinc/84/67/11/1028846711.db2.gz SKCIDMMBHGNFQB-KRWDZBQOSA-N 1 0 354.450 2.973 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cnc4[nH]ccc4n3)CC2)cc1 ZINC001164334702 1029249929 /nfs/dbraw/zinc/24/99/29/1029249929.db2.gz YJLLPFNIKAQBTL-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO CO[C@H](C)CCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000782393988 1029683801 /nfs/dbraw/zinc/68/38/01/1029683801.db2.gz LYGRSJDPIOBWIJ-QGZVFWFLSA-N 1 0 359.514 2.650 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000840963009 1029947886 /nfs/dbraw/zinc/94/78/86/1029947886.db2.gz KHFZBOSZBWQVQA-KRWDZBQOSA-N 1 0 362.420 2.667 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000840976299 1029957426 /nfs/dbraw/zinc/95/74/26/1029957426.db2.gz UTAPUKXXKHETCL-UNMCSNQZSA-N 1 0 354.494 2.888 20 10 FFCDRO COc1cc(OC)c(OC)cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044728 1029997627 /nfs/dbraw/zinc/99/76/27/1029997627.db2.gz YCAKWGYMYUAFOP-QGZVFWFLSA-N 1 0 359.470 2.568 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841125626 1030058155 /nfs/dbraw/zinc/05/81/55/1030058155.db2.gz SPUWJRUFVWRLRP-UHFFFAOYSA-N 1 0 367.449 2.763 20 10 FFCDRO O=C(COC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC000783789879 1030277932 /nfs/dbraw/zinc/27/79/32/1030277932.db2.gz WYLNTSASBIVMSK-UHFFFAOYSA-N 1 0 369.417 2.736 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N(CC[NH3+])Cc3ccccc3)ccc21 ZINC000841760492 1030448030 /nfs/dbraw/zinc/44/80/30/1030448030.db2.gz WHHBWELMYQIJCF-UHFFFAOYSA-N 1 0 352.482 2.740 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)ccc21 ZINC000841760320 1030448105 /nfs/dbraw/zinc/44/81/05/1030448105.db2.gz UNULDLGZOONUQB-LJQANCHMSA-N 1 0 356.514 2.600 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000841778982 1030460700 /nfs/dbraw/zinc/46/07/00/1030460700.db2.gz JRHCGDFHNIJHMG-HNAYVOBHSA-N 1 0 360.502 2.575 20 10 FFCDRO CC[NH2+]CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841780164 1030462385 /nfs/dbraw/zinc/46/23/85/1030462385.db2.gz GDPFWWBGICXFKO-UHFFFAOYSA-N 1 0 370.444 2.556 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000841795081 1030471854 /nfs/dbraw/zinc/47/18/54/1030471854.db2.gz GIJYJQXDYXLPQS-FQEVSTJZSA-N 1 0 362.493 2.957 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000841796538 1030472258 /nfs/dbraw/zinc/47/22/58/1030472258.db2.gz QCORSHSGKBCTPP-IXDOHACOSA-N 1 0 362.493 2.859 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841877334 1030514605 /nfs/dbraw/zinc/51/46/05/1030514605.db2.gz MWLBVQKWRZPBOQ-UZLBHIALSA-N 1 0 352.482 2.631 20 10 FFCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(F)c(F)cc4[O-])C[C@H]3O2)n1 ZINC001142512925 1030562887 /nfs/dbraw/zinc/56/28/87/1030562887.db2.gz PXCIIXJCFSCHPZ-CIISACIHSA-N 1 0 351.353 2.714 20 10 FFCDRO [NH3+]C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCCC1 ZINC000841986650 1030568094 /nfs/dbraw/zinc/56/80/94/1030568094.db2.gz MVEPOUGUEDNFBT-ROUUACIJSA-N 1 0 361.486 2.600 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H](CC(C)C)OC)CC2)cc(OC)c1OC ZINC000842155149 1030627560 /nfs/dbraw/zinc/62/75/60/1030627560.db2.gz CFJACRJAZAELPV-QGZVFWFLSA-N 1 0 366.502 2.896 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203550480 1030758822 /nfs/dbraw/zinc/75/88/22/1030758822.db2.gz VSRACKRQABQGIQ-HXUWFJFHSA-N 1 0 362.470 2.994 20 10 FFCDRO O=C1[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2O)C(=O)N1Cc1ccccc1 ZINC001203555716 1030764325 /nfs/dbraw/zinc/76/43/25/1030764325.db2.gz DHKATSQRQBJDBY-PKOBYXMFSA-N 1 0 350.418 2.542 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1O ZINC001203590260 1030772093 /nfs/dbraw/zinc/77/20/93/1030772093.db2.gz VHPNANFZUQEPTK-SFHVURJKSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1O ZINC001203593715 1030778015 /nfs/dbraw/zinc/77/80/15/1030778015.db2.gz PULKVCRVAMDVRF-HKUYNNGSSA-N 1 0 372.440 2.877 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c1O ZINC001203601942 1030780633 /nfs/dbraw/zinc/78/06/33/1030780633.db2.gz SESXYYQADIPPSL-GFCCVEGCSA-N 1 0 369.343 2.863 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c1O ZINC001203602901 1030780866 /nfs/dbraw/zinc/78/08/66/1030780866.db2.gz BMSYPHUUWIREAD-RTBURBONSA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001203602899 1030781581 /nfs/dbraw/zinc/78/15/81/1030781581.db2.gz BMSYPHUUWIREAD-OALUTQOASA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1O ZINC001203609991 1030787524 /nfs/dbraw/zinc/78/75/24/1030787524.db2.gz QUUILAULHNLARK-CVEARBPZSA-N 1 0 373.478 2.736 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203629255 1030795542 /nfs/dbraw/zinc/79/55/42/1030795542.db2.gz UMXHXJLBCGTLGF-HUUCEWRRSA-N 1 0 354.422 2.838 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC001203672686 1030818669 /nfs/dbraw/zinc/81/86/69/1030818669.db2.gz AQDVZTOFOMCMRP-XLIONFOSSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1 ZINC001203684400 1030826522 /nfs/dbraw/zinc/82/65/22/1030826522.db2.gz URFGSANVOLZASS-GOSISDBHSA-N 1 0 356.422 2.543 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1O ZINC001203877875 1030953472 /nfs/dbraw/zinc/95/34/72/1030953472.db2.gz YFVGOEXVWDHHTN-FUHWJXTLSA-N 1 0 358.413 2.574 20 10 FFCDRO CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203934501 1030994751 /nfs/dbraw/zinc/99/47/51/1030994751.db2.gz ZWXBXBPLOUNTQZ-HXUWFJFHSA-N 1 0 373.541 2.850 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)cc1 ZINC001203943482 1031000687 /nfs/dbraw/zinc/00/06/87/1031000687.db2.gz DLVVKQVFDNRTDB-GOSISDBHSA-N 1 0 356.470 2.985 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccn4ccnc34)CC2)cc1 ZINC001142960607 1031099127 /nfs/dbraw/zinc/09/91/27/1031099127.db2.gz RGQLDYNPCNSHJR-UHFFFAOYSA-N 1 0 366.465 2.682 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H](O)CCc3ccccc3)cc2)CC1 ZINC000843066096 1031170457 /nfs/dbraw/zinc/17/04/57/1031170457.db2.gz SFUYNOUDLYHTAK-QHCPKHFHSA-N 1 0 368.521 2.979 20 10 FFCDRO CN(C)c1ccc(CN2CCN(C3CCOCC3)C(=O)C2)c2ccccc21 ZINC001204242314 1031183500 /nfs/dbraw/zinc/18/35/00/1031183500.db2.gz NNOJXAYPASKESD-UHFFFAOYSA-N 1 0 367.493 2.729 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001204273699 1031199051 /nfs/dbraw/zinc/19/90/51/1031199051.db2.gz FVXNUHPPSRNCRW-HFSMHLIXSA-N 1 0 370.449 2.689 20 10 FFCDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4ccc(O)cc4O)CC[N@@H+]3C2)cc1 ZINC001204274416 1031202598 /nfs/dbraw/zinc/20/25/98/1031202598.db2.gz AFCSHROVMTWCNS-YLJYHZDGSA-N 1 0 354.450 2.744 20 10 FFCDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(O)cc2O)cs1 ZINC001204274290 1031203028 /nfs/dbraw/zinc/20/30/28/1031203028.db2.gz MJAYDRHEVAFADZ-IAGOWNOFSA-N 1 0 373.478 2.628 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c1O ZINC001143108215 1031238563 /nfs/dbraw/zinc/23/85/63/1031238563.db2.gz LOWJALFBRXBQRI-QRVBRYPASA-N 1 0 372.509 2.948 20 10 FFCDRO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cccc(C(C)(C)C)c2O)C3)n1 ZINC001143108694 1031239047 /nfs/dbraw/zinc/23/90/47/1031239047.db2.gz VDABHRIIFJYFGV-FOIQADDNSA-N 1 0 357.454 2.781 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346023 1031242474 /nfs/dbraw/zinc/24/24/74/1031242474.db2.gz JQNJJRMABWFQEH-CYBMUJFWSA-N 1 0 366.458 2.795 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1O ZINC001143112794 1031242691 /nfs/dbraw/zinc/24/26/91/1031242691.db2.gz YXQONTFRKVXPQE-JKSUJKDBSA-N 1 0 364.486 2.760 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc(O)c1O ZINC001204349432 1031245704 /nfs/dbraw/zinc/24/57/04/1031245704.db2.gz UJNROCTUWCNKGI-OALUTQOASA-N 1 0 368.477 2.979 20 10 FFCDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000798144044 1031318048 /nfs/dbraw/zinc/31/80/48/1031318048.db2.gz SUQMLFIKOTUFBI-LJQANCHMSA-N 1 0 357.498 2.917 20 10 FFCDRO CCOCc1ccc(CNC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843350020 1031340262 /nfs/dbraw/zinc/34/02/62/1031340262.db2.gz ICKFCAIPYTUUOH-UHFFFAOYSA-N 1 0 367.493 2.751 20 10 FFCDRO COc1ccc(NC(=O)CN2CCCc3cc(C[NH3+])ccc32)cc1OC ZINC000843350683 1031342312 /nfs/dbraw/zinc/34/23/12/1031342312.db2.gz WNWOITLUZWHRDS-UHFFFAOYSA-N 1 0 355.438 2.554 20 10 FFCDRO COc1ccc(OC)c(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843349634 1031343095 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1 0 354.859 2.886 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C)NC(=O)[C@H](C)[NH3+])n2)cc1 ZINC001205164570 1031567618 /nfs/dbraw/zinc/56/76/18/1031567618.db2.gz YHEOULLRKZTMSB-KBPBESRZSA-N 1 0 353.426 2.669 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(N3CCc4ccccc43)CC1)[C@@H](O)CO2 ZINC000799942868 1031928441 /nfs/dbraw/zinc/92/84/41/1031928441.db2.gz PKALHBBHLMWXCE-NRFANRHFSA-N 1 0 366.461 2.845 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3(N)CC[NH2+]CC3)cc2)cc1 ZINC001219204263 1033554276 /nfs/dbraw/zinc/55/42/76/1033554276.db2.gz XGEZVFWTBQEOHR-ONEGZZNKSA-N 1 0 364.493 2.942 20 10 FFCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000830720431 1033763606 /nfs/dbraw/zinc/76/36/06/1033763606.db2.gz RZQISTLRTAABAR-YJBOKZPZSA-N 1 0 359.445 2.904 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001276966545 1033860071 /nfs/dbraw/zinc/86/00/71/1033860071.db2.gz UIZLTROYFOJENQ-MRXNPFEDSA-N 1 0 353.260 2.517 20 10 FFCDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000831133519 1033960271 /nfs/dbraw/zinc/96/02/71/1033960271.db2.gz YAGBADUWODDHPN-OAQYLSRUSA-N 1 0 362.477 2.831 20 10 FFCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000831133159 1033962031 /nfs/dbraw/zinc/96/20/31/1033962031.db2.gz RYPNQKQCTLMHRJ-IHRRRGAJSA-N 1 0 370.444 2.682 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CN(C2CCCC2)C(=O)CO3)c1O ZINC001277026121 1034170504 /nfs/dbraw/zinc/17/05/04/1034170504.db2.gz KFLBBUNIUXGZBM-FQEVSTJZSA-N 1 0 362.445 2.586 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCN(c4ccc(Cl)nn4)CC3)ccc21 ZINC001138356968 1034192745 /nfs/dbraw/zinc/19/27/45/1034192745.db2.gz WNJBNFWLGLIDBH-UHFFFAOYSA-N 1 0 357.889 2.835 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4C[C@H](C(=O)NC5CC5)C[C@@H]4C3)ccc21 ZINC001138357245 1034193358 /nfs/dbraw/zinc/19/33/58/1034193358.db2.gz PEGLEBNZTWNRQN-LDLYASANSA-N 1 0 353.510 2.806 20 10 FFCDRO COCC[N@H+](Cc1ccc2c(c1)CCCN2C)C1CCN(C(C)=O)CC1 ZINC001138358113 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JAJGGLCTGDIGTP-UHFFFAOYSA-N 1 0 361.873 2.810 20 10 FFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001277213399 1035576399 /nfs/dbraw/zinc/57/63/99/1035576399.db2.gz NPZRHFCBFIGARU-NRFANRHFSA-N 1 0 359.514 2.986 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)c1 ZINC001140620238 1035746682 /nfs/dbraw/zinc/74/66/82/1035746682.db2.gz HIISIGAPWNBHHY-MISYRCLQSA-N 1 0 370.449 2.732 20 10 FFCDRO Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)C[N+](C)(C)C)c1C2=O ZINC001227994588 1035859246 /nfs/dbraw/zinc/85/92/46/1035859246.db2.gz NOMIMJYVUHTVAG-LBPRGKRZSA-O 1 0 370.425 2.655 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)cc1 ZINC001140747708 1036045554 /nfs/dbraw/zinc/04/55/54/1036045554.db2.gz JHSUMCQRKQPDOI-UHFFFAOYSA-N 1 0 372.465 2.754 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001232836074 1036089607 /nfs/dbraw/zinc/08/96/07/1036089607.db2.gz KPODHLBVLXNXFM-XIRDDKMYSA-N 1 0 361.486 2.946 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001232838494 1036094591 /nfs/dbraw/zinc/09/45/91/1036094591.db2.gz KPVYZLNWQVVHKA-UGKGYDQZSA-N 1 0 365.477 2.564 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001232841425 1036096425 /nfs/dbraw/zinc/09/64/25/1036096425.db2.gz FRATZECDXPXRBV-VQFNDLOPSA-N 1 0 361.486 2.755 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1c1ccccc1 ZINC001232841589 1036098983 /nfs/dbraw/zinc/09/89/83/1036098983.db2.gz KYTXILCLEYYHIV-RBUKOAKNSA-N 1 0 354.450 2.847 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CCOCC1 ZINC001277314614 1036190531 /nfs/dbraw/zinc/19/05/31/1036190531.db2.gz AHPHUCMCPYKVLH-RTBURBONSA-N 1 0 358.482 2.693 20 10 FFCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(I)cc1O ZINC001232977375 1036210928 /nfs/dbraw/zinc/21/09/28/1036210928.db2.gz BGXNFLXHDBBXRQ-UHFFFAOYSA-N 1 0 371.222 2.715 20 10 FFCDRO [O-]c1cc(Br)cc(F)c1CN1CC[C@H](Oc2ncccn2)C1 ZINC001233033871 1036273077 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COc1cc(C)c(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)c(O)c1 ZINC001236821959 1038291964 /nfs/dbraw/zinc/29/19/64/1038291964.db2.gz XCCKAGSRCDQUTO-UHFFFAOYSA-N 1 0 354.406 2.766 20 10 FFCDRO CCN1C[C@H]2CC[N@H+](Cc3cc4ccccc4cc3O)CC[C@H]2S1(=O)=O ZINC001236833995 1038299892 /nfs/dbraw/zinc/29/98/92/1038299892.db2.gz ZWSGBRLBKPKKOZ-YLJYHZDGSA-N 1 0 374.506 2.791 20 10 FFCDRO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]Cc1cccc(C)c1O ZINC001255997801 1038303495 /nfs/dbraw/zinc/30/34/95/1038303495.db2.gz PPEHEXRHJUWYQV-UHFFFAOYSA-N 1 0 351.443 2.845 20 10 FFCDRO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001236928552 1038360118 /nfs/dbraw/zinc/36/01/18/1038360118.db2.gz XVFWWXFULWYMOO-QGZVFWFLSA-N 1 0 361.877 2.605 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCOc4ccccc4C3)c(F)c2)CC1 ZINC001236938938 1038369553 /nfs/dbraw/zinc/36/95/53/1038369553.db2.gz NNKJVVGXSWKQNZ-UHFFFAOYSA-N 1 0 355.457 2.972 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c(O)c1 ZINC001237042585 1038418116 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10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256334550 1038483435 /nfs/dbraw/zinc/48/34/35/1038483435.db2.gz JIIZEZXILTYBLI-YWZLYKJASA-N 1 0 360.498 2.859 20 10 FFCDRO COc1nscc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001208723077 1038498324 /nfs/dbraw/zinc/49/83/24/1038498324.db2.gz IKBOHZULTHESJC-OAHLLOKOSA-N 1 0 363.487 2.642 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257234154 1038752139 /nfs/dbraw/zinc/75/21/39/1038752139.db2.gz XPWXUMPJBZHJED-GOSISDBHSA-N 1 0 366.527 2.646 20 10 FFCDRO C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209334103 1038762275 /nfs/dbraw/zinc/76/22/75/1038762275.db2.gz RVBSDWYHSXSLAJ-MRXNPFEDSA-N 1 0 367.493 2.838 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CN(Cc4cccc(=O)[nH]4)C3)CC2)c1 ZINC001278615117 1038817638 /nfs/dbraw/zinc/81/76/38/1038817638.db2.gz KZSPQRCZSOZWND-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=S)NCCc3ccccc3)cc2)CC1 ZINC001245337678 1038967085 /nfs/dbraw/zinc/96/70/85/1038967085.db2.gz DXBSWEDGVLYFIU-UHFFFAOYSA-N 1 0 368.550 2.645 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4CCCC[C@@]43C)cc2)CC1 ZINC001246303364 1039305710 /nfs/dbraw/zinc/30/57/10/1039305710.db2.gz PIVIKSXDHYIHIT-RXVVDRJESA-N 1 0 356.514 2.913 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)c(C)c1 ZINC001251933039 1039364585 /nfs/dbraw/zinc/36/45/85/1039364585.db2.gz SOXUKPICJVHIAP-GOSISDBHSA-N 1 0 374.456 2.705 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)Cc3cccnc3)CC2)cc1 ZINC001258613201 1039454044 /nfs/dbraw/zinc/45/40/44/1039454044.db2.gz LIUAYMXPQVJENP-IBGZPJMESA-N 1 0 368.525 2.823 20 10 FFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccnc(N2CC[NH2+]CC2)c1 ZINC001210262292 1039454579 /nfs/dbraw/zinc/45/45/79/1039454579.db2.gz DXNWLHVEJMNFJP-RVUCBKLVSA-N 1 0 374.452 2.759 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)cc1 ZINC001253105523 1039985306 /nfs/dbraw/zinc/98/53/06/1039985306.db2.gz MFMOPFCRIPZTBZ-JOCHJYFZSA-N 1 0 370.493 2.742 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCSC)cc1I ZINC001248476273 1040293675 /nfs/dbraw/zinc/29/36/75/1040293675.db2.gz BDRRTRNEPYKNHS-UHFFFAOYSA-N 1 0 367.252 2.800 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001278746115 1040437018 /nfs/dbraw/zinc/43/70/18/1040437018.db2.gz OTYNRWMVBBLILY-FHWLQOOXSA-N 1 0 354.450 2.795 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253904451 1040441842 /nfs/dbraw/zinc/44/18/42/1040441842.db2.gz BICUDZYSKCKQMZ-NXXSPTCGSA-N 1 0 374.391 2.563 20 10 FFCDRO CC(C)NC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001278750128 1040458295 /nfs/dbraw/zinc/45/82/95/1040458295.db2.gz FWEBPYHPRAMRAO-HXUWFJFHSA-N 1 0 361.486 2.894 20 10 FFCDRO CC1(C)C=Cc2c(O)c(CN3CCN(CC[NH+]4CCCC4)CC3)ccc2O1 ZINC001249252491 1040653909 /nfs/dbraw/zinc/65/39/09/1040653909.db2.gz LNXRFZNONPPDHJ-UHFFFAOYSA-N 1 0 371.525 2.790 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001254296276 1040663836 /nfs/dbraw/zinc/66/38/36/1040663836.db2.gz ZKAFOVOVEWJLBL-CQSZACIVSA-N 1 0 364.442 2.660 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOCC2(C)C)c(O)c1 ZINC001249736675 1040969336 /nfs/dbraw/zinc/96/93/36/1040969336.db2.gz ASHZUDUQZCAEIH-UHFFFAOYSA-N 1 0 351.443 2.725 20 10 FFCDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001254835538 1040995491 /nfs/dbraw/zinc/99/54/91/1040995491.db2.gz QUAUJYURANRMQW-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261182128 1041053669 /nfs/dbraw/zinc/05/36/69/1041053669.db2.gz KKHJKDCSXKZSDN-PKOBYXMFSA-N 1 0 360.521 2.636 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2cc(C)c(Br)cc2O)CC1 ZINC001250128783 1041124728 /nfs/dbraw/zinc/12/47/28/1041124728.db2.gz JWOIDDWECNMBSC-UHFFFAOYSA-N 1 0 355.276 2.954 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)cc1Br ZINC001250136870 1041126546 /nfs/dbraw/zinc/12/65/46/1041126546.db2.gz ZZNHZZGNKZFNFL-SWLSCSKDSA-N 1 0 367.287 2.906 20 10 FFCDRO CCn1ccnc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001279149174 1042919797 /nfs/dbraw/zinc/91/97/97/1042919797.db2.gz AGQFWFUGRGJXHI-PMACEKPBSA-N 1 0 353.514 2.818 20 10 FFCDRO COc1cc(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)cc(O)c1O ZINC001279234433 1042957937 /nfs/dbraw/zinc/95/79/37/1042957937.db2.gz PZZNUWPVHHDJPS-UONOGXRCSA-N 1 0 374.403 2.955 20 10 FFCDRO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4c(C)ccc(C)c4O)[C@@H]3C2)n(C)n1 ZINC001279235849 1042959578 /nfs/dbraw/zinc/95/95/78/1042959578.db2.gz WQYHTYRKLSBPDI-FXAWDEMLSA-N 1 0 354.498 2.757 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)[C@@H]2C1 ZINC001279293069 1042987694 /nfs/dbraw/zinc/98/76/94/1042987694.db2.gz BJYNWRYXYHLVRR-FXAWDEMLSA-N 1 0 356.466 2.672 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)c(O)c1 ZINC001279433337 1043107567 /nfs/dbraw/zinc/10/75/67/1043107567.db2.gz UYVVFUZKGAJGON-UHFFFAOYSA-N 1 0 357.376 2.541 20 10 FFCDRO COc1cc(CN2CCC([NH+]3CCC(F)CC3)CC2)c(O)c(OC)c1 ZINC001237678337 1043306915 /nfs/dbraw/zinc/30/69/15/1043306915.db2.gz NHFOMENHFVQJQQ-UHFFFAOYSA-N 1 0 352.450 2.808 20 10 FFCDRO COc1cc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC001237683067 1043308953 /nfs/dbraw/zinc/30/89/53/1043308953.db2.gz DYUVMHWRDCOJED-IAGOWNOFSA-N 1 0 354.450 2.978 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)cc1Br ZINC001237685059 1043311406 /nfs/dbraw/zinc/31/14/06/1043311406.db2.gz NBMQGWHSAKHLGN-IUODEOHRSA-N 1 0 367.287 2.906 20 10 FFCDRO CC[N@H+](CCC[NH+](C)C)Cc1cccc(I)c1[O-] ZINC001237785557 1043357597 /nfs/dbraw/zinc/35/75/97/1043357597.db2.gz HBCBJSDLPQECCZ-UHFFFAOYSA-N 1 0 362.255 2.770 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)cc1OC ZINC001279672456 1043441528 /nfs/dbraw/zinc/44/15/28/1043441528.db2.gz HWYYOLKFAFTILC-CALCHBBNSA-N 1 0 357.454 2.586 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CC3(CN(C(=O)NCC(F)(F)F)C3)C2)c(O)c1 ZINC001279672601 1043443047 /nfs/dbraw/zinc/44/30/47/1043443047.db2.gz BZDKZMCNWFNHTF-UHFFFAOYSA-N 1 0 371.403 2.905 20 10 FFCDRO OC[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CCN1Cc1ccccc1 ZINC001237940058 1043445708 /nfs/dbraw/zinc/44/57/08/1043445708.db2.gz ASOAPDCKCRVPMS-INIZCTEOSA-N 1 0 364.848 2.863 20 10 FFCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676331 1043449265 /nfs/dbraw/zinc/44/92/65/1043449265.db2.gz AJJKLNJZHUKAAP-OLZOCXBDSA-N 1 0 358.313 2.767 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1O ZINC001238064808 1043511228 /nfs/dbraw/zinc/51/12/28/1043511228.db2.gz CFLWBOQMBBTFHE-HNNXBMFYSA-N 1 0 366.433 2.565 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc(F)cc(C)c3O)CC2)C1 ZINC001238068779 1043515661 /nfs/dbraw/zinc/51/56/61/1043515661.db2.gz WFFBCWDKUHKEMI-OAHLLOKOSA-N 1 0 364.461 2.689 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC[C@H]3CC[NH2+]3)cc2)cc1 ZINC001238412339 1043692857 /nfs/dbraw/zinc/69/28/57/1043692857.db2.gz KHDSEWFYWWVDCP-VNRULFPQSA-N 1 0 373.482 2.808 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)cc1 ZINC001279853089 1043777272 /nfs/dbraw/zinc/77/72/72/1043777272.db2.gz ADTMKRIJZOJWAY-HOJAQTOUSA-N 1 0 353.466 2.559 20 10 FFCDRO C[C@H](NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)c1ncc[nH]1 ZINC001279969149 1044005493 /nfs/dbraw/zinc/00/54/93/1044005493.db2.gz VHSVICWIZVEWFY-GOEBONIOSA-N 1 0 354.454 2.595 20 10 FFCDRO COCCN(C)C(=O)C1=CC2(CC1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279971210 1044009217 /nfs/dbraw/zinc/00/92/17/1044009217.db2.gz UHZSNJLVJRRDCL-UHFFFAOYSA-N 1 0 358.482 2.799 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C2CC(F)(F)C2)c1O ZINC001279981308 1044028568 /nfs/dbraw/zinc/02/85/68/1044028568.db2.gz JRZCFEPCGYIOMD-YJYMSZOUSA-N 1 0 366.408 2.621 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001280067681 1044161297 /nfs/dbraw/zinc/16/12/97/1044161297.db2.gz LSZXDCJANKAYFZ-UGKGYDQZSA-N 1 0 353.510 2.863 20 10 FFCDRO CN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001280080495 1044181306 /nfs/dbraw/zinc/18/13/06/1044181306.db2.gz FRSQMACRGQPUCL-UTKZUKDTSA-N 1 0 357.498 2.596 20 10 FFCDRO CCN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc3c(c1)OCCN3C)C2)C(C)C ZINC001280081198 1044182523 /nfs/dbraw/zinc/18/25/23/1044182523.db2.gz ONFWWXDQRSKYOA-DYESRHJHSA-N 1 0 357.498 2.594 20 10 FFCDRO CN(C(=O)[C@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2)C1CC(F)(F)C1 ZINC001280298786 1044565151 /nfs/dbraw/zinc/56/51/51/1044565151.db2.gz VIFYLJPZSCMBNZ-CQSZACIVSA-N 1 0 354.372 2.609 20 10 FFCDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)c1O ZINC001280345754 1044634242 /nfs/dbraw/zinc/63/42/42/1044634242.db2.gz CRJXRMWINUHVOL-OSRSDYAFSA-N 1 0 352.425 2.895 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(F)(C4CC4)C3)C2)c1O ZINC001280349628 1044639359 /nfs/dbraw/zinc/63/93/59/1044639359.db2.gz NZKOTEDOZCLABV-QGZVFWFLSA-N 1 0 358.457 2.791 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)COCCc2ccccc2)[NH+](C)C)cc1 ZINC001539236369 1070593217 /nfs/dbraw/zinc/59/32/17/1070593217.db2.gz SMWRLGIAAMKMGN-NRFANRHFSA-N 1 0 369.509 2.731 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2F)CC1 ZINC001318724659 1044840409 /nfs/dbraw/zinc/84/04/09/1044840409.db2.gz RMPANCDQNUSZPX-DBVUQKKJSA-N 1 0 361.505 2.871 20 10 FFCDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001318346795 1045277092 /nfs/dbraw/zinc/27/70/92/1045277092.db2.gz PHAHKPAMPGRIJV-UHFFFAOYSA-N 1 0 373.522 2.827 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(C(F)(F)F)c1 ZINC001321031993 1045518197 /nfs/dbraw/zinc/51/81/97/1045518197.db2.gz APOJXENOFBLLHL-AWEZNQCLSA-N 1 0 367.419 2.873 20 10 FFCDRO O=C(Nc1c2nonc2ccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001324139430 1045886222 /nfs/dbraw/zinc/88/62/22/1045886222.db2.gz BSKXYAUHSDYVRL-OAHLLOKOSA-N 1 0 372.812 2.716 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCN2CCC(CO)CC2)c(C(F)(F)F)c1 ZINC001322445456 1046088196 /nfs/dbraw/zinc/08/81/96/1046088196.db2.gz INRBXBHVGJBQCJ-UHFFFAOYSA-N 1 0 359.436 2.565 20 10 FFCDRO C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001325625832 1046582485 /nfs/dbraw/zinc/58/24/85/1046582485.db2.gz LVTMJWONKAVXDH-QMMMGPOBSA-N 1 0 366.097 2.862 20 10 FFCDRO Cc1ccc2c(c1)S[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC001326038980 1046737217 /nfs/dbraw/zinc/73/72/17/1046737217.db2.gz UUPGCZGLODBJOF-MJGOQNOKSA-N 1 0 355.507 2.894 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1F ZINC001331518835 1047981489 /nfs/dbraw/zinc/98/14/89/1047981489.db2.gz KPIPFSAWHQTDBB-QZTJIDSGSA-N 1 0 353.457 2.764 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001332431907 1048392992 /nfs/dbraw/zinc/39/29/92/1048392992.db2.gz OFZJORCLCAGYPS-UFYCRDLUSA-N 1 0 359.514 2.648 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCC3SCCS3)cc2F)CC1 ZINC001329563833 1048778514 /nfs/dbraw/zinc/77/85/14/1048778514.db2.gz BCPUVDRTHQMNTJ-UHFFFAOYSA-N 1 0 355.548 2.863 20 10 FFCDRO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC001331022695 1049443184 /nfs/dbraw/zinc/44/31/84/1049443184.db2.gz SJQZTNSRYVYNPV-UHFFFAOYSA-N 1 0 371.525 2.577 20 10 FFCDRO C[NH2+]C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC001340192815 1050601615 /nfs/dbraw/zinc/60/16/15/1050601615.db2.gz ZMODQVLZVMDHIU-UHFFFAOYSA-N 1 0 353.413 2.515 20 10 FFCDRO CC(C)(C[NH3+])CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001343407918 1052212260 /nfs/dbraw/zinc/21/22/60/1052212260.db2.gz PYTLUHXZPGOJGI-UHFFFAOYSA-N 1 0 355.429 2.748 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](CO)CCc3ccccc3)cc2F)CC1 ZINC001308525384 1052465227 /nfs/dbraw/zinc/46/52/27/1052465227.db2.gz GMSNQTYWCGAJBA-HXUWFJFHSA-N 1 0 371.500 2.661 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H]1C ZINC001308543011 1052466796 /nfs/dbraw/zinc/46/67/96/1052466796.db2.gz FUHFSGJOWZUZSQ-LQJIQPLVSA-N 1 0 361.530 2.923 20 10 FFCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001343927560 1052493621 /nfs/dbraw/zinc/49/36/21/1052493621.db2.gz PCNWSWZWYGWQJX-GOSISDBHSA-N 1 0 371.504 2.691 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c3ccccc3nn2C)[NH+](C)C)cc1 ZINC001336624187 1054097485 /nfs/dbraw/zinc/09/74/85/1054097485.db2.gz FPWFIBZQBXTRDR-LJQANCHMSA-N 1 0 365.481 2.672 20 10 FFCDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001336742248 1054184832 /nfs/dbraw/zinc/18/48/32/1054184832.db2.gz MOKUYWMCZJCUTL-LJQANCHMSA-N 1 0 368.525 2.836 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(N)ccc3Cl)cc2)CC1 ZINC001337068034 1054454325 /nfs/dbraw/zinc/45/43/25/1054454325.db2.gz CMBYFRQIHUYXJQ-UHFFFAOYSA-N 1 0 358.873 2.604 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c(O)c1OC ZINC001351976184 1055096764 /nfs/dbraw/zinc/09/67/64/1055096764.db2.gz SOVRGKNKRCDPCD-UHFFFAOYSA-N 1 0 370.449 2.935 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3cnn(CC4CCC4)c3)cc2F)CC1 ZINC001352098329 1055189893 /nfs/dbraw/zinc/18/98/93/1055189893.db2.gz UHPVLFVIOWJSBI-UHFFFAOYSA-N 1 0 371.504 2.864 20 10 FFCDRO CCc1cccc(C[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)c1O ZINC000848895205 1055321056 /nfs/dbraw/zinc/32/10/56/1055321056.db2.gz SJPKUBSTJSEMJE-UHFFFAOYSA-N 1 0 368.477 2.944 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3(C)CC=CC3)CC2)cc1 ZINC000847277133 1055369242 /nfs/dbraw/zinc/36/92/42/1055369242.db2.gz SNUBZSHPXLLDHK-UHFFFAOYSA-N 1 0 372.513 2.615 20 10 FFCDRO Cc1cccc(NC(=[NH2+])NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000849070057 1055628081 /nfs/dbraw/zinc/62/80/81/1055628081.db2.gz AZPDMRIUNDCYHC-KRWDZBQOSA-N 1 0 365.481 2.833 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001353330184 1056301658 /nfs/dbraw/zinc/30/16/58/1056301658.db2.gz RPYWUQJJVANCQI-BEFAXECRSA-N 1 0 357.410 2.505 20 10 FFCDRO C[NH+](C)CCCOc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001353492089 1056451143 /nfs/dbraw/zinc/45/11/43/1056451143.db2.gz GGPROHSWUSHFFH-UHFFFAOYSA-N 1 0 356.470 2.599 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)cc1 ZINC001353706725 1056658687 /nfs/dbraw/zinc/65/86/87/1056658687.db2.gz JXOLUBCXNQPAJA-RXVVDRJESA-N 1 0 371.525 2.760 20 10 FFCDRO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc3c(cc2O)OCO3)cc1 ZINC000849349741 1056836274 /nfs/dbraw/zinc/83/62/74/1056836274.db2.gz HSGMCHUVTBENIG-ROUUACIJSA-N 1 0 370.449 2.755 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)cc1 ZINC001446419900 1058519915 /nfs/dbraw/zinc/51/99/15/1058519915.db2.gz NVWYLJMMKFAVOU-UHFFFAOYSA-N 1 0 371.525 2.998 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N(C)CC3CC[NH2+]CC3)ccc21 ZINC001515495557 1059678984 /nfs/dbraw/zinc/67/89/84/1059678984.db2.gz FBKOWHHJIFBVFB-UHFFFAOYSA-N 1 0 357.498 2.976 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001547469327 1071963730 /nfs/dbraw/zinc/96/37/30/1071963730.db2.gz RQNFEVQJLZGNFH-SFHVURJKSA-N 1 0 354.450 2.984 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(n2)CCCN3)[NH+](C)C)cc1 ZINC001458042492 1060496786 /nfs/dbraw/zinc/49/67/86/1060496786.db2.gz VFGHTDKGUOHBGZ-HXUWFJFHSA-N 1 0 367.497 2.538 20 10 FFCDRO Cc1nnc2c(N[C@@H]3CCC[N@H+](Cc4cc(Cl)ccc4O)C3)nccn12 ZINC001458172856 1060531353 /nfs/dbraw/zinc/53/13/53/1060531353.db2.gz YJUWDBVXGSIXMZ-OAHLLOKOSA-N 1 0 372.860 2.868 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458558839 1060624202 /nfs/dbraw/zinc/62/42/02/1060624202.db2.gz YDFHBOBIBLLOHI-NBEHIINDSA-N 1 0 361.442 2.948 20 10 FFCDRO [NH3+]CCc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC001521556542 1060963746 /nfs/dbraw/zinc/96/37/46/1060963746.db2.gz WNAGNCYRZQMRBY-IBGZPJMESA-N 1 0 354.450 2.715 20 10 FFCDRO CCCn1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1 ZINC001461087478 1061206377 /nfs/dbraw/zinc/20/63/77/1061206377.db2.gz MLGLKFOJOYATIX-GOSISDBHSA-N 1 0 369.513 2.593 20 10 FFCDRO COc1ccsc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001461088632 1061207295 /nfs/dbraw/zinc/20/72/95/1061207295.db2.gz YYZWOTKOUUYUFY-HNNXBMFYSA-N 1 0 359.495 2.748 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H](C2CC2)C(F)(F)F)[NH+](C)C)cc1 ZINC001476709929 1061463192 /nfs/dbraw/zinc/46/31/92/1061463192.db2.gz KGLHCVWMEKMYQO-HOTGVXAUSA-N 1 0 372.435 2.995 20 10 FFCDRO CC[C@@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@@H](O)C(C)C ZINC001462345513 1061589434 /nfs/dbraw/zinc/58/94/34/1061589434.db2.gz CQQZLAFSXHHPBV-QAPCUYQASA-N 1 0 350.434 2.989 20 10 FFCDRO COC(=O)c1nc(C[NH2+]Cc2c(C)cc(OC)cc2O)ccc1Cl ZINC001462416517 1061614441 /nfs/dbraw/zinc/61/44/41/1061614441.db2.gz HAJXHZPMNMDUMZ-UHFFFAOYSA-N 1 0 350.802 2.834 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(C)C=CCC3)CC2)cc1 ZINC001531524334 1062792429 /nfs/dbraw/zinc/79/24/29/1062792429.db2.gz JPPSIJCCJJRLBA-OAQYLSRUSA-N 1 0 357.498 2.680 20 10 FFCDRO COc1ncccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001465261282 1063030989 /nfs/dbraw/zinc/03/09/89/1063030989.db2.gz ZIIBXPVDPUHZQT-KRWDZBQOSA-N 1 0 357.458 2.581 20 10 FFCDRO CCOc1nc(C)ccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001439962837 1063240375 /nfs/dbraw/zinc/24/03/75/1063240375.db2.gz XSUZKQJKSHSAQB-IBGZPJMESA-N 1 0 370.497 2.887 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(NC=O)c2)[NH+](C)C)cc1 ZINC001467443672 1063748311 /nfs/dbraw/zinc/74/83/11/1063748311.db2.gz WGWJOUMLCZNWMP-LJQANCHMSA-N 1 0 369.469 2.745 20 10 FFCDRO C[C@H]1CCSCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471543430 1064711535 /nfs/dbraw/zinc/71/15/35/1064711535.db2.gz IHDWQKOTIPRADH-YJBOKZPZSA-N 1 0 364.559 2.892 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC001474002489 1065438077 /nfs/dbraw/zinc/43/80/77/1065438077.db2.gz MPLUTFNRUOKCKF-YOEHRIQHSA-N 1 0 351.447 2.527 20 10 FFCDRO CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC001577699637 1078389032 /nfs/dbraw/zinc/38/90/32/1078389032.db2.gz PNAWLMKZHAWFHK-IBGZPJMESA-N 1 0 370.545 2.917 20 10 FFCDRO CCc1nnc(N2CC[C@H]([NH3+])[C@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578314601 1078462238 /nfs/dbraw/zinc/46/22/38/1078462238.db2.gz BKWLMDXRTANOOT-WBVHZDCISA-N 1 0 374.508 2.658 20 10 FFCDRO CCc1nnc(N2CCC[C@H]([C@H](C)[NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578317346 1078462610 /nfs/dbraw/zinc/46/26/10/1078462610.db2.gz KRIJUSQKEHJDKQ-HOCLYGCPSA-N 1 0 374.508 2.658 20 10 FFCDRO CCc1nnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1CCCSc1nccs1 ZINC001578308866 1078461761 /nfs/dbraw/zinc/46/17/61/1078461761.db2.gz SDYGFDUBNLEVBN-CHWSQXEVSA-N 1 0 366.560 2.653 20 10 FFCDRO Cc1cc(CCNC(=O)C[NH2+]C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC001579592805 1078646800 /nfs/dbraw/zinc/64/68/00/1078646800.db2.gz MJSZMFZLOBPKDG-FQEVSTJZSA-N 1 0 355.482 2.521 20 10 FFCDRO COc1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)ccc1-c1nn[nH]n1 ZINC001579929008 1078717220 /nfs/dbraw/zinc/71/72/20/1078717220.db2.gz LDGYNJOWXNPQIF-UHFFFAOYSA-N 1 0 359.817 2.833 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC[NH+]1CCCCC1 ZINC001554175630 1075609226 /nfs/dbraw/zinc/60/92/26/1075609226.db2.gz QHLPAPIEAHEFBE-UHFFFAOYSA-N 1 0 355.486 2.983 20 10 FFCDRO CCNc1cccnc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001558723034 1076063462 /nfs/dbraw/zinc/06/34/62/1076063462.db2.gz FRQCTKZMZBXQMN-GOSISDBHSA-N 1 0 355.486 2.612 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CN(C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001558723789 1076063752 /nfs/dbraw/zinc/06/37/52/1076063752.db2.gz VMWIDNNSTMDKFG-NRFANRHFSA-N 1 0 368.525 2.604 20 10 FFCDRO COc1ccc(C[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cc1Cn1cccn1 ZINC001560255364 1076257179 /nfs/dbraw/zinc/25/71/79/1076257179.db2.gz NMCOMSDSULJVJH-ROUUACIJSA-N 1 0 372.513 2.529 20 10 FFCDRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001560314268 1076263097 /nfs/dbraw/zinc/26/30/97/1076263097.db2.gz SARZHFPMZXMLDE-UHFFFAOYSA-N 1 0 374.506 2.859 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c(O)c1 ZINC001560783923 1076299373 /nfs/dbraw/zinc/29/93/73/1076299373.db2.gz DVICCUZCAJENMF-UHFFFAOYSA-N 1 0 360.414 2.828 20 10 FFCDRO COc1cc(F)cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001562498396 1076499731 /nfs/dbraw/zinc/49/97/31/1076499731.db2.gz NHILQARRENWDPE-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCn3cccn3)C2)cc1C ZINC001565887681 1076782404 /nfs/dbraw/zinc/78/24/04/1076782404.db2.gz CNERTCKTNZLETJ-RBUKOAKNSA-N 1 0 370.497 2.665 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC001566562332 1076968326 /nfs/dbraw/zinc/96/83/26/1076968326.db2.gz GXEQBYYHKDTMIW-BZSNNMDCSA-N 1 0 359.514 2.995 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nccc3occc32)[NH+](C)C)cc1 ZINC001586061637 1079538402 /nfs/dbraw/zinc/53/84/02/1079538402.db2.gz SOEGGWRTHBQDON-KRWDZBQOSA-N 1 0 352.438 2.927 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c2c1c(F)ccc2O ZINC001590203742 1081088577 /nfs/dbraw/zinc/08/85/77/1081088577.db2.gz BCPHIHNDTNYGDC-NHYWBVRUSA-N 1 0 369.400 2.928 20 10 FFCDRO COc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371848261 512601700 /nfs/dbraw/zinc/60/17/00/512601700.db2.gz YNVKNMGWYUUFHV-OWCLPIDISA-N 1 0 354.878 2.738 20 10 FFCDRO COc1cccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c1O ZINC000073537746 507928762 /nfs/dbraw/zinc/92/87/62/507928762.db2.gz KGAAQXVEGXEKOP-UHFFFAOYSA-N 1 0 357.454 2.722 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)nc(COC)n3)cc2F)CC1 ZINC000075050089 508079332 /nfs/dbraw/zinc/07/93/32/508079332.db2.gz XXJQCGUSLNIWMJ-UHFFFAOYSA-N 1 0 373.476 2.825 20 10 FFCDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000102921625 508289233 /nfs/dbraw/zinc/28/92/33/508289233.db2.gz HLGGOZCWJPATMC-UHFFFAOYSA-N 1 0 356.422 2.845 20 10 FFCDRO Cc1cccc(NC(=O)CN(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000152986995 508537386 /nfs/dbraw/zinc/53/73/86/508537386.db2.gz SNIOYAYXAHHNPA-UHFFFAOYSA-N 1 0 353.466 2.902 20 10 FFCDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(N(C)C)cc1 ZINC000371482295 512427442 /nfs/dbraw/zinc/42/74/42/512427442.db2.gz YGDXVZIWSKFFLN-OXFYSEKESA-N 1 0 358.486 2.514 20 10 FFCDRO O=C(CN1CC[NH+](Cc2ccccc2O)CC1)Nc1ccccc1Cl ZINC000179553752 509509189 /nfs/dbraw/zinc/50/91/89/509509189.db2.gz GZEMVALGDQNALB-UHFFFAOYSA-N 1 0 359.857 2.802 20 10 FFCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000186089465 509516135 /nfs/dbraw/zinc/51/61/35/509516135.db2.gz JFHJFTHSMBJSKI-JTQLQIEISA-N 1 0 362.289 2.630 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1O ZINC000179647735 509554647 /nfs/dbraw/zinc/55/46/47/509554647.db2.gz OQZSLUNWFJXZSL-UHFFFAOYSA-N 1 0 366.508 2.705 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174172504 509983947 /nfs/dbraw/zinc/98/39/47/509983947.db2.gz WWUKTTGUIMEQHW-IBGZPJMESA-N 1 0 356.514 2.914 20 10 FFCDRO CCS(=O)(=O)CCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000190317578 510060401 /nfs/dbraw/zinc/06/04/01/510060401.db2.gz KLWNBYFDOFYXRN-UHFFFAOYSA-N 1 0 368.543 2.560 20 10 FFCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181245855 510321201 /nfs/dbraw/zinc/32/12/01/510321201.db2.gz KPMBIJCNLUBRHK-SJDLMVEWSA-N 1 0 367.449 2.848 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC(C)(C)C ZINC000178097929 510430984 /nfs/dbraw/zinc/43/09/84/510430984.db2.gz MVILPXLQUYKYQO-UONOGXRCSA-N 1 0 351.466 2.616 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1OC ZINC000182119510 510766452 /nfs/dbraw/zinc/76/64/52/510766452.db2.gz MCDQGDNWECYYBQ-KRWDZBQOSA-N 1 0 371.355 2.949 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(C)cc1)cc2=O ZINC000182325085 510850577 /nfs/dbraw/zinc/85/05/77/510850577.db2.gz KECNYOBLSXGGGI-CYBMUJFWSA-N 1 0 354.410 2.771 20 10 FFCDRO CC[NH+](CC)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360188723 510883157 /nfs/dbraw/zinc/88/31/57/510883157.db2.gz QWSSFHOPQQVDDS-UHFFFAOYSA-N 1 0 355.429 2.715 20 10 FFCDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3ccc(N)cc3)cc2)CC1 ZINC000297314365 510899654 /nfs/dbraw/zinc/89/96/54/510899654.db2.gz WKMYDVKIGSVORS-UHFFFAOYSA-N 1 0 352.482 2.729 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000360438215 510908350 /nfs/dbraw/zinc/90/83/50/510908350.db2.gz WKAQELNLGZPGTD-UHFFFAOYSA-N 1 0 367.493 2.613 20 10 FFCDRO COc1c([O-])c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278510701 510996132 /nfs/dbraw/zinc/99/61/32/510996132.db2.gz PRRKFGHANZMHKF-UHFFFAOYSA-N 1 0 369.418 2.702 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000278939795 511014457 /nfs/dbraw/zinc/01/44/57/511014457.db2.gz XNWBXYCGTVPPRS-INIZCTEOSA-N 1 0 363.389 2.841 20 10 FFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000270974222 511043036 /nfs/dbraw/zinc/04/30/36/511043036.db2.gz UGXIKFRRAXTNCW-AHKGRUIUSA-N 1 0 371.525 2.725 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cc(Br)ccc2O)c(OC)n1 ZINC000289507246 511103138 /nfs/dbraw/zinc/10/31/38/511103138.db2.gz HTFNPHNLYMNTBD-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000289893098 511120800 /nfs/dbraw/zinc/12/08/00/511120800.db2.gz SSPYCPIIDXVTCH-OAHLLOKOSA-N 1 0 361.465 2.641 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c(C(F)(F)F)c1 ZINC000279656153 511165105 /nfs/dbraw/zinc/16/51/05/511165105.db2.gz FURHOBWAMQAHOX-UHFFFAOYSA-N 1 0 364.433 2.828 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291356004 511165083 /nfs/dbraw/zinc/16/50/83/511165083.db2.gz XTRIWJNNLUUZJH-NSHDSACASA-N 1 0 350.203 2.913 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[S@](=O)[C@H](C)[C@H]3C)cc2)CC1 ZINC000294869689 511203975 /nfs/dbraw/zinc/20/39/75/511203975.db2.gz DQYRRGQWRDBQQC-JOWJHRDDSA-N 1 0 350.528 2.643 20 10 FFCDRO COC1CCN(c2ccc(CN(CCS(C)(=O)=O)C(C)C)cc2)CC1 ZINC000294912778 511219010 /nfs/dbraw/zinc/21/90/10/511219010.db2.gz ILTLTBQTWFBOJS-UHFFFAOYSA-N 1 0 368.543 2.557 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000295590949 511454607 /nfs/dbraw/zinc/45/46/07/511454607.db2.gz MNRQVZXJNQIFEY-ZDUSSCGKSA-N 1 0 350.434 2.848 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000273420098 511524722 /nfs/dbraw/zinc/52/47/22/511524722.db2.gz RWZQLUUQIWDFSY-OAHLLOKOSA-N 1 0 372.465 2.970 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccncc3)CC2)c1 ZINC000273414980 511525227 /nfs/dbraw/zinc/52/52/27/511525227.db2.gz QSGZFXNCHDDVKP-AWEZNQCLSA-N 1 0 355.438 2.751 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446045 511526617 /nfs/dbraw/zinc/52/66/17/511526617.db2.gz ZWRCQMPTYHQPRA-KBPBESRZSA-N 1 0 372.425 2.771 20 10 FFCDRO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292441944 511598109 /nfs/dbraw/zinc/59/81/09/511598109.db2.gz WZPGEYVQYBKCNK-GOSISDBHSA-N 1 0 372.557 2.517 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(C)coc3C)CC2)cc1 ZINC000284439655 511724439 /nfs/dbraw/zinc/72/44/39/511724439.db2.gz HBYMFUGOHOURQQ-UHFFFAOYSA-N 1 0 371.481 2.847 20 10 FFCDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000281217790 511763042 /nfs/dbraw/zinc/76/30/42/511763042.db2.gz TVNDHZDMXHYYFG-DOTOQJQBSA-N 1 0 363.477 2.571 20 10 FFCDRO COc1cc(N2CC[NH+](CCC3CCOCC3)CC2)cc(OC)c1OC ZINC000292907337 511766657 /nfs/dbraw/zinc/76/66/57/511766657.db2.gz KKEMFUPJXMDTMF-UHFFFAOYSA-N 1 0 364.486 2.651 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(O)c1C ZINC000363870464 511819742 /nfs/dbraw/zinc/81/97/42/511819742.db2.gz VOPZGRDGIRUJFR-LPHOPBHVSA-N 1 0 350.528 2.868 20 10 FFCDRO OCC1([C@H]([NH2+]Cc2cc(Br)ccc2O)C2CC2)CCOCC1 ZINC000293524694 511997439 /nfs/dbraw/zinc/99/74/39/511997439.db2.gz AAQHBBLMWNUNGF-MRXNPFEDSA-N 1 0 370.287 2.812 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000297169636 512046091 /nfs/dbraw/zinc/04/60/91/512046091.db2.gz NHQZQHRCWSVHIC-RMKNXTFCSA-N 1 0 369.509 2.670 20 10 FFCDRO CO[C@H](C)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436014372 513737588 /nfs/dbraw/zinc/73/75/88/513737588.db2.gz DLZLDVMVCFWMJY-JKSUJKDBSA-N 1 0 357.498 2.947 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N(C)CC2C[NH+](C)C2)CCCC1 ZINC000618188706 520926649 /nfs/dbraw/zinc/92/66/49/520926649.db2.gz HPYHDIHDJPUIGL-UHFFFAOYSA-N 1 0 355.482 2.549 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625916023 521782866 /nfs/dbraw/zinc/78/28/66/521782866.db2.gz HGRJVCSHVVUXLL-RBUKOAKNSA-N 1 0 365.477 2.823 20 10 FFCDRO COc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000826210114 608581330 /nfs/dbraw/zinc/58/13/30/608581330.db2.gz FDTUYQMKTDHKMR-UHFFFAOYSA-N 1 0 353.426 2.992 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCc2nnnn2C)cc1 ZINC000898036200 735305669 /nfs/dbraw/zinc/30/56/69/735305669.db2.gz AJHLJNOYWUHVLL-UHFFFAOYSA-N 1 0 356.499 2.630 20 10 FFCDRO O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)c1Cl ZINC000898365310 735346855 /nfs/dbraw/zinc/34/68/55/735346855.db2.gz ZDAXTOOOIAOWTG-NSHDSACASA-N 1 0 355.225 2.563 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1C ZINC000898399698 735355842 /nfs/dbraw/zinc/35/58/42/735355842.db2.gz SXOUPVZRGIEBJC-DEOSSOPVSA-N 1 0 353.532 2.795 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC3(Cl)Cl)cc2F)CC1 ZINC000106702680 728511576 /nfs/dbraw/zinc/51/15/76/728511576.db2.gz VLVHZAJPIBLCTI-ZDUSSCGKSA-N 1 0 374.287 2.778 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112441808 728545216 /nfs/dbraw/zinc/54/52/16/728545216.db2.gz JJIFDUIOOFWKSD-UHFFFAOYSA-N 1 0 364.559 2.771 20 10 FFCDRO O=C(NCCCSc1nccs1)NC1CC[NH+](CC2CC2)CC1 ZINC000177782760 729146155 /nfs/dbraw/zinc/14/61/55/729146155.db2.gz MCRRHRZRDBFBQR-UHFFFAOYSA-N 1 0 354.545 2.799 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000246583069 729588210 /nfs/dbraw/zinc/58/82/10/729588210.db2.gz ZODYZBQRHWAXAU-KBPBESRZSA-N 1 0 356.561 2.997 20 10 FFCDRO CCc1nncn1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779027857 738430860 /nfs/dbraw/zinc/43/08/60/738430860.db2.gz TWMMZFIOYPRGCN-LLVKDONJSA-N 1 0 353.264 2.968 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c1O ZINC000779027655 738431019 /nfs/dbraw/zinc/43/10/19/738431019.db2.gz QPZUOFHZJKJSKG-JTQLQIEISA-N 1 0 364.243 2.808 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000779038194 738431341 /nfs/dbraw/zinc/43/13/41/738431341.db2.gz JXWCQEBZDOLICM-VHSXEESVSA-N 1 0 350.278 2.547 20 10 FFCDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000303561194 729733987 /nfs/dbraw/zinc/73/39/87/729733987.db2.gz IDKZQAJDEPOEKK-MRXNPFEDSA-N 1 0 350.482 2.955 20 10 FFCDRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000924718480 738441268 /nfs/dbraw/zinc/44/12/68/738441268.db2.gz YWIXDOKLNGKHIM-QWQRMKEZSA-N 1 0 352.450 2.680 20 10 FFCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759180 738444643 /nfs/dbraw/zinc/44/46/43/738444643.db2.gz GGGMTOXMVJQKNL-IEBWSBKVSA-N 1 0 350.478 2.938 20 10 FFCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000779431924 738463285 /nfs/dbraw/zinc/46/32/85/738463285.db2.gz IAQCFKICLRQOBB-APWZRJJASA-N 1 0 350.478 2.891 20 10 FFCDRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1c(O)cccc1Br ZINC000858106470 730416659 /nfs/dbraw/zinc/41/66/59/730416659.db2.gz JPOMEHBKLMIFCH-AWEZNQCLSA-N 1 0 366.259 2.511 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000858106992 730416728 /nfs/dbraw/zinc/41/67/28/730416728.db2.gz WPAPVNNEYJPBOK-LBPRGKRZSA-N 1 0 370.218 2.823 20 10 FFCDRO CN(C)C(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000858136813 730417507 /nfs/dbraw/zinc/41/75/07/730417507.db2.gz UYDJYRXXKPWLEZ-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1F ZINC000858252638 730420882 /nfs/dbraw/zinc/42/08/82/730420882.db2.gz NITXQRGWGPJWJK-IAGOWNOFSA-N 1 0 371.522 2.622 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000858498048 730427256 /nfs/dbraw/zinc/42/72/56/730427256.db2.gz KSJZCJTZVFNWBL-MORSLUCNSA-N 1 0 366.527 2.782 20 10 FFCDRO CON1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000925158076 738483913 /nfs/dbraw/zinc/48/39/13/738483913.db2.gz BIAASEFHNIUKEV-OAHLLOKOSA-N 1 0 355.429 2.872 20 10 FFCDRO COC(=O)CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CCOCC1 ZINC000862249400 730681944 /nfs/dbraw/zinc/68/19/44/730681944.db2.gz ODVKKBXYEQVJQI-UHFFFAOYSA-N 1 0 356.413 2.575 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862332121 730689094 /nfs/dbraw/zinc/68/90/94/730689094.db2.gz RTNKJOCIIBHFSG-RYUDHWBXSA-N 1 0 372.259 2.697 20 10 FFCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000862478756 730704184 /nfs/dbraw/zinc/70/41/84/730704184.db2.gz PKPXQOSCZDHKMN-PBHICJAKSA-N 1 0 350.459 2.815 20 10 FFCDRO C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc(Br)ccc1O ZINC000925789809 738529758 /nfs/dbraw/zinc/52/97/58/738529758.db2.gz BMTISCDWCSUCCD-GXTWGEPZSA-N 1 0 369.303 2.964 20 10 FFCDRO CCCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1C ZINC000873020107 731865024 /nfs/dbraw/zinc/86/50/24/731865024.db2.gz FLXZOPFQKFFBLN-UHFFFAOYSA-N 1 0 362.495 2.982 20 10 FFCDRO C[NH+]1CCC(n2cc(NC(=O)NCc3cc(Cl)ccc3O)cn2)CC1 ZINC000876017459 732207418 /nfs/dbraw/zinc/20/74/18/732207418.db2.gz IMAKOOMEEQQRRH-UHFFFAOYSA-N 1 0 363.849 2.831 20 10 FFCDRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)o1 ZINC000876721117 732272328 /nfs/dbraw/zinc/27/23/28/732272328.db2.gz GJWKZCUJDPHSKU-UHFFFAOYSA-N 1 0 350.440 2.577 20 10 FFCDRO O=C1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCCN1 ZINC000876998668 732309756 /nfs/dbraw/zinc/30/97/56/732309756.db2.gz LTTFHGBLAYNYNI-CQSZACIVSA-N 1 0 353.413 2.515 20 10 FFCDRO Cn1cc(CCC[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000877033986 732316101 /nfs/dbraw/zinc/31/61/01/732316101.db2.gz UKEPZDJCONWAOU-SFHVURJKSA-N 1 0 362.905 2.966 20 10 FFCDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000877686594 732413545 /nfs/dbraw/zinc/41/35/45/732413545.db2.gz QZXSNFWSHRQMTK-IBGZPJMESA-N 1 0 351.443 2.581 20 10 FFCDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000877685727 732413799 /nfs/dbraw/zinc/41/37/99/732413799.db2.gz GHPRUXPFWDQADQ-LJQANCHMSA-N 1 0 351.443 2.581 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(CCO)(CCO)CC2)c1O ZINC000877692144 732414948 /nfs/dbraw/zinc/41/49/48/732414948.db2.gz UIYKPFRKIICVHC-UHFFFAOYSA-N 1 0 372.303 2.810 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877745080 732422153 /nfs/dbraw/zinc/42/21/53/732422153.db2.gz ZVQFMBDERRYTFF-FZMZJTMJSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1OC ZINC000877811410 732438600 /nfs/dbraw/zinc/43/86/00/732438600.db2.gz JKCACZGCTQBNJA-OAHLLOKOSA-N 1 0 351.830 2.756 20 10 FFCDRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350281 738620433 /nfs/dbraw/zinc/62/04/33/738620433.db2.gz ILOARSHMRIJTJC-LPHOPBHVSA-N 1 0 366.889 2.943 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)c1ccccc1O ZINC000879649089 732742682 /nfs/dbraw/zinc/74/26/82/732742682.db2.gz ICKIOGLFLFLWIM-ACWOFJMJSA-N 1 0 350.459 2.803 20 10 FFCDRO CCc1nn(C)c(Cl)c1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283775 733359932 /nfs/dbraw/zinc/35/99/32/733359932.db2.gz SNACDGZIKPKNAQ-UHFFFAOYSA-N 1 0 361.921 2.678 20 10 FFCDRO [NH3+][C@@H](CC1CC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203675 733493775 /nfs/dbraw/zinc/49/37/75/733493775.db2.gz BRBOPVXVPQEJMS-INIZCTEOSA-N 1 0 353.413 2.500 20 10 FFCDRO CSCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670167 734206495 /nfs/dbraw/zinc/20/64/95/734206495.db2.gz XWBUSTQSSDYDNI-MRXNPFEDSA-N 1 0 364.559 2.721 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000890757733 734336361 /nfs/dbraw/zinc/33/63/61/734336361.db2.gz JTCWOUSMEYBVDQ-INIZCTEOSA-N 1 0 359.857 2.969 20 10 FFCDRO [NH3+][C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000717152412 734374417 /nfs/dbraw/zinc/37/44/17/734374417.db2.gz RBWATYSBIXWCBI-QWRGUYRKSA-N 1 0 353.182 2.866 20 10 FFCDRO COc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)c1O ZINC000725841685 734396052 /nfs/dbraw/zinc/39/60/52/734396052.db2.gz URPWKIPSVXHIPR-MRXNPFEDSA-N 1 0 361.511 2.541 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2snnc2C2CC2)[NH+](C)C)cc1 ZINC000891247918 734404677 /nfs/dbraw/zinc/40/46/77/734404677.db2.gz LJCFDFGFGDCOCR-OAHLLOKOSA-N 1 0 359.499 2.514 20 10 FFCDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253036 734405426 /nfs/dbraw/zinc/40/54/26/734405426.db2.gz PJYFQACGOBEDME-INIZCTEOSA-N 1 0 364.877 2.664 20 10 FFCDRO CCc1nnc(CNCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)s1 ZINC000892907091 734621541 /nfs/dbraw/zinc/62/15/41/734621541.db2.gz XDBANMBDPZKLFO-UHFFFAOYSA-N 1 0 363.506 2.671 20 10 FFCDRO CC(=O)N1CCN(c2ccc(CNc3cc(N)[nH+]cc3Cl)cc2)CC1 ZINC000893400529 734697942 /nfs/dbraw/zinc/69/79/42/734697942.db2.gz FQVYUCJSMWPOMA-UHFFFAOYSA-N 1 0 359.861 2.598 20 10 FFCDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)C[C@H](C)O1 ZINC000731869064 734702161 /nfs/dbraw/zinc/70/21/61/734702161.db2.gz KALCWPXNPVYZFN-KBPBESRZSA-N 1 0 360.479 2.993 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC[S@](=O)C(C)(C)C)c2cc(F)ccc2n1C ZINC000894283487 734830354 /nfs/dbraw/zinc/83/03/54/734830354.db2.gz GIBZVAWQNQBEIU-VWLOTQADSA-N 1 0 368.474 2.741 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)cc(OC)c2O)o1 ZINC000734159746 734878422 /nfs/dbraw/zinc/87/84/22/734878422.db2.gz IKHCVFCWYBNDIY-UHFFFAOYSA-N 1 0 370.199 2.833 20 10 FFCDRO Cc1cc(F)ncc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894843361 734926078 /nfs/dbraw/zinc/92/60/78/734926078.db2.gz MXGBCPFQGLPMIP-UHFFFAOYSA-N 1 0 351.372 2.934 20 10 FFCDRO CCOC(=O)c1ncc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895309738 734989788 /nfs/dbraw/zinc/98/97/88/734989788.db2.gz KEMSVMYRSYGLKF-CYBMUJFWSA-N 1 0 361.467 2.697 20 10 FFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(F)(F)F ZINC000895714825 735046083 /nfs/dbraw/zinc/04/60/83/735046083.db2.gz XTGCTSKXSOGWTH-WSNITJDQSA-N 1 0 369.767 2.987 20 10 FFCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000895837278 735062248 /nfs/dbraw/zinc/06/22/48/735062248.db2.gz KLEMYTOSNGJOAW-GFCCVEGCSA-N 1 0 354.166 2.901 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1O ZINC000896461664 735165488 /nfs/dbraw/zinc/16/54/88/735165488.db2.gz PVYHYFHQFSKDTK-KRWDZBQOSA-N 1 0 354.834 2.765 20 10 FFCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000748247775 735630256 /nfs/dbraw/zinc/63/02/56/735630256.db2.gz YGZUICSTNBOKQR-HNNXBMFYSA-N 1 0 360.248 2.985 20 10 FFCDRO CC(C)[NH+]1CCN(CCCC(=O)NCCCSc2nccs2)CC1 ZINC000900683355 735679976 /nfs/dbraw/zinc/67/99/76/735679976.db2.gz OOHNIANNMSBORM-UHFFFAOYSA-N 1 0 370.588 2.548 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000903234982 736063913 /nfs/dbraw/zinc/06/39/13/736063913.db2.gz UNYYPYILNGYKCF-HNNXBMFYSA-N 1 0 361.511 2.902 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000903286173 736071310 /nfs/dbraw/zinc/07/13/10/736071310.db2.gz CUISDOYWKGGIMJ-OEQOMGKESA-N 1 0 354.244 2.990 20 10 FFCDRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1cc(Cl)ccc1O ZINC000756365650 736325438 /nfs/dbraw/zinc/32/54/38/736325438.db2.gz YVKQSSBDIZRZGZ-LBPRGKRZSA-N 1 0 365.861 2.951 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756477664 736334963 /nfs/dbraw/zinc/33/49/63/736334963.db2.gz CTDXXPCHFVFZOD-INIZCTEOSA-N 1 0 362.495 2.947 20 10 FFCDRO C[NH+]1CCC([C@@H]2CCN(C(=O)NCCCSc3nccs3)C2)CC1 ZINC000756721765 736355556 /nfs/dbraw/zinc/35/55/56/736355556.db2.gz GEWNFVSWKZDWMK-OAHLLOKOSA-N 1 0 368.572 2.999 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756761285 736359578 /nfs/dbraw/zinc/35/95/78/736359578.db2.gz SZUBIACSHFSUSF-KGYLQXTDSA-N 1 0 356.463 2.811 20 10 FFCDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Br)cc1O ZINC000756791824 736361567 /nfs/dbraw/zinc/36/15/67/736361567.db2.gz VGVBLVHISCUFIJ-JTQLQIEISA-N 1 0 351.248 2.862 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000757706579 736421362 /nfs/dbraw/zinc/42/13/62/736421362.db2.gz XBPYDJJKFRUBJI-GFCCVEGCSA-N 1 0 360.907 2.758 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000758508783 736495718 /nfs/dbraw/zinc/49/57/18/736495718.db2.gz WZZSTKWACWOVMA-UHFFFAOYSA-N 1 0 369.870 2.756 20 10 FFCDRO C[NH+](C)C1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCCC1 ZINC000760939140 736681645 /nfs/dbraw/zinc/68/16/45/736681645.db2.gz NPRVAZXFBKEXKA-UHFFFAOYSA-N 1 0 365.861 2.684 20 10 FFCDRO CN(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222698 736709182 /nfs/dbraw/zinc/70/91/82/736709182.db2.gz LPUZGZMVXYFVQQ-UHFFFAOYSA-N 1 0 362.495 2.667 20 10 FFCDRO CCOc1cccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)n1 ZINC000763107356 736902543 /nfs/dbraw/zinc/90/25/43/736902543.db2.gz IBIHLNOSAVZZAT-SDNWHVSQSA-N 1 0 363.508 2.776 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(F)c1 ZINC000765980842 737179840 /nfs/dbraw/zinc/17/98/40/737179840.db2.gz SYIIUBKWHFDGME-HNNXBMFYSA-N 1 0 362.470 2.911 20 10 FFCDRO Cn1cc(Br)cc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463466 737424482 /nfs/dbraw/zinc/42/44/82/737424482.db2.gz JNWRTJZLCVQWKP-OAHLLOKOSA-N 1 0 367.243 2.551 20 10 FFCDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000769428942 737528783 /nfs/dbraw/zinc/52/87/83/737528783.db2.gz XEQQHFVUHPOZKC-CYBMUJFWSA-N 1 0 354.244 2.930 20 10 FFCDRO COC[C@H](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055403 737689895 /nfs/dbraw/zinc/68/98/95/737689895.db2.gz CBKSOGDMISARFF-CJNGLKHVSA-N 1 0 354.878 2.799 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3/N=C(c4cccs4)OC3=O)cc2)CC1 ZINC000771519109 737732032 /nfs/dbraw/zinc/73/20/32/737732032.db2.gz CJLYFGQFMQBKSY-DTQAZKPQSA-N 1 0 353.447 2.844 20 10 FFCDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)o1 ZINC000774187162 737967321 /nfs/dbraw/zinc/96/73/21/737967321.db2.gz OTHZBRKMXZYPDL-OAHLLOKOSA-N 1 0 362.495 2.982 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921446341 737985281 /nfs/dbraw/zinc/98/52/81/737985281.db2.gz GKRKHJUACUWXSV-CHWSQXEVSA-N 1 0 372.585 2.504 20 10 FFCDRO O[C@@H]([C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000775135619 738064575 /nfs/dbraw/zinc/06/45/75/738064575.db2.gz CCBBZIBQTVYMGS-WBVHZDCISA-N 1 0 358.404 2.658 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)ccc1O ZINC000775499661 738097401 /nfs/dbraw/zinc/09/74/01/738097401.db2.gz SWPZPRNTFPAYKK-SWLSCSKDSA-N 1 0 357.292 2.916 20 10 FFCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000775522602 738099022 /nfs/dbraw/zinc/09/90/22/738099022.db2.gz VNJQYXHQZVDBFN-HZUKXOBISA-N 1 0 357.292 2.915 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1OC ZINC000777441303 738289529 /nfs/dbraw/zinc/28/95/29/738289529.db2.gz DZIZHENYVZHKBK-OAHLLOKOSA-N 1 0 351.443 2.965 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CCC3CCCCC3)cc2)CC1 ZINC000792174145 739646761 /nfs/dbraw/zinc/64/67/61/739646761.db2.gz NHOOGIUIDYHMFW-UHFFFAOYSA-N 1 0 350.528 2.981 20 10 FFCDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792835368 739711519 /nfs/dbraw/zinc/71/15/19/739711519.db2.gz XMOAMMHJZAHYDX-OAHLLOKOSA-N 1 0 359.436 2.660 20 10 FFCDRO O=C(C[C@@H]1CCCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689157 739804950 /nfs/dbraw/zinc/80/49/50/739804950.db2.gz KMPGBVVFYADGNC-WMLDXEAASA-N 1 0 366.889 2.943 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(C)cc1O ZINC000794801364 739931887 /nfs/dbraw/zinc/93/18/87/739931887.db2.gz IZNGDUVNUGHBQN-SFHVURJKSA-N 1 0 362.495 2.861 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000798937477 740375472 /nfs/dbraw/zinc/37/54/72/740375472.db2.gz RICFRCLEICQYOA-CABCVRRESA-N 1 0 365.905 2.838 20 10 FFCDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)oc1C ZINC000800478757 740527699 /nfs/dbraw/zinc/52/76/99/740527699.db2.gz QVQUTVHGQMZKGT-HNNXBMFYSA-N 1 0 362.495 2.982 20 10 FFCDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000801734613 740646395 /nfs/dbraw/zinc/64/63/95/740646395.db2.gz GAYUFZJPKKVYJY-MRXNPFEDSA-N 1 0 361.511 2.599 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)CC1 ZINC000802302987 740693940 /nfs/dbraw/zinc/69/39/40/740693940.db2.gz WOSFWYKMLZNZAK-UHFFFAOYSA-N 1 0 362.539 2.980 20 10 FFCDRO CCOC1CC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000807107179 741110966 /nfs/dbraw/zinc/11/09/66/741110966.db2.gz GQIQJZVHSKQIEJ-PWZRNIHTSA-N 1 0 366.889 2.941 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000808775896 741259451 /nfs/dbraw/zinc/25/94/51/741259451.db2.gz NBJGBSNBALCMLZ-MRXNPFEDSA-N 1 0 367.559 2.635 20 10 FFCDRO CN(Cc1cnc(C2OCCO2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000809639186 741325513 /nfs/dbraw/zinc/32/55/13/741325513.db2.gz JCUCYAXXDQDESJ-UHFFFAOYSA-N 1 0 363.483 2.765 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000809690471 741332070 /nfs/dbraw/zinc/33/20/70/741332070.db2.gz ROPCKOVGRXPTBW-LBPRGKRZSA-N 1 0 360.376 2.681 20 10 FFCDRO C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809695904 741332514 /nfs/dbraw/zinc/33/25/14/741332514.db2.gz AQLZPHJIWNVIMJ-WMLDXEAASA-N 1 0 357.420 2.590 20 10 FFCDRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809708034 741334809 /nfs/dbraw/zinc/33/48/09/741334809.db2.gz WEDWXBHVTMIULQ-CVEARBPZSA-N 1 0 368.861 2.915 20 10 FFCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000810234695 741400083 /nfs/dbraw/zinc/40/00/83/741400083.db2.gz GXSUKBIGDFVFIJ-GFCCVEGCSA-N 1 0 356.348 2.605 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(O)c1 ZINC000815563731 741945762 /nfs/dbraw/zinc/94/57/62/741945762.db2.gz MLDLUMXSLJIONV-INIZCTEOSA-N 1 0 362.495 2.779 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000817960074 742224176 /nfs/dbraw/zinc/22/41/76/742224176.db2.gz WWFQYPNWGCVWCM-BXUZGUMPSA-N 1 0 355.276 2.891 20 10 FFCDRO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1cc(Br)ccc1O ZINC000817975010 742226219 /nfs/dbraw/zinc/22/62/19/742226219.db2.gz PTXXMQATVDFFQH-HOCLYGCPSA-N 1 0 357.292 2.964 20 10 FFCDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1ccccc1Br ZINC000818010514 742229481 /nfs/dbraw/zinc/22/94/81/742229481.db2.gz OWHXOCIMMGEBDM-UHFFFAOYSA-N 1 0 350.260 2.887 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000819241436 742359170 /nfs/dbraw/zinc/35/91/70/742359170.db2.gz CILVUGDPDHUJAZ-RHSMWYFYSA-N 1 0 351.491 2.631 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000822520453 742747899 /nfs/dbraw/zinc/74/78/99/742747899.db2.gz BUQMUIKWIQTZPP-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000824855860 743165056 /nfs/dbraw/zinc/16/50/56/743165056.db2.gz QXQFEEQXIQFLEX-HOTGVXAUSA-N 1 0 370.287 2.907 20 10 FFCDRO CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000825070290 743205496 /nfs/dbraw/zinc/20/54/96/743205496.db2.gz ATOLCCZMMGKHQU-HNNXBMFYSA-N 1 0 357.292 2.601 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000826052277 743362046 /nfs/dbraw/zinc/36/20/46/743362046.db2.gz AYOHJEQBROXTDU-UHFFFAOYSA-N 1 0 368.886 2.894 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000826139988 743371705 /nfs/dbraw/zinc/37/17/05/743371705.db2.gz UKOVNQSJEVHVEL-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cs2)cc1 ZINC000828427001 745065486 /nfs/dbraw/zinc/06/54/86/745065486.db2.gz FRLULIUTIPIIHL-INIZCTEOSA-N 1 0 356.495 2.626 20 10 FFCDRO Cc1ccc(Cl)c(OCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832284540 745671331 /nfs/dbraw/zinc/67/13/31/745671331.db2.gz KREFCRPVIGWJEN-QGZVFWFLSA-N 1 0 361.873 2.909 20 10 FFCDRO COc1ccc(Cl)cc1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292804 745673623 /nfs/dbraw/zinc/67/36/23/745673623.db2.gz MZMUDCLAOXYCGS-KRWDZBQOSA-N 1 0 361.873 2.773 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000834316221 745817248 /nfs/dbraw/zinc/81/72/48/745817248.db2.gz DDCNLCGXCQYQNZ-SCLBCKFNSA-N 1 0 361.873 2.936 20 10 FFCDRO COCCOC1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000834856194 745915191 /nfs/dbraw/zinc/91/51/91/745915191.db2.gz LWUOQWKZXKNBMS-HIFRSBDPSA-N 1 0 353.434 2.881 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834879073 745917591 /nfs/dbraw/zinc/91/75/91/745917591.db2.gz PPCLNFHZFBEVKX-RDJZCZTQSA-N 1 0 353.532 2.655 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1 ZINC000835037454 745936199 /nfs/dbraw/zinc/93/61/99/745936199.db2.gz POSOZCOYRWEMOK-RMKNXTFCSA-N 1 0 358.507 2.970 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1C ZINC000835066878 745943266 /nfs/dbraw/zinc/94/32/66/745943266.db2.gz DMWCWHYAUYSWJU-MRXNPFEDSA-N 1 0 350.459 2.735 20 10 FFCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000838769629 746709869 /nfs/dbraw/zinc/70/98/69/746709869.db2.gz HXJVXNJSZOJBER-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000839147958 746787914 /nfs/dbraw/zinc/78/79/14/746787914.db2.gz BZBHOCOMRKHVIX-UHFFFAOYSA-N 1 0 352.431 2.508 20 10 FFCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)nn1 ZINC000840938281 747234967 /nfs/dbraw/zinc/23/49/67/747234967.db2.gz APGUZSWXAZCLSE-LBPRGKRZSA-N 1 0 364.833 2.569 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000840947552 747238627 /nfs/dbraw/zinc/23/86/27/747238627.db2.gz WWPPDGCTBGTEKZ-AWEZNQCLSA-N 1 0 357.420 2.952 20 10 FFCDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707168 747436905 /nfs/dbraw/zinc/43/69/05/747436905.db2.gz OUFRXZKWNVVASO-UHFFFAOYSA-N 1 0 350.532 2.557 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000841799585 747464035 /nfs/dbraw/zinc/46/40/35/747464035.db2.gz YAHZTOHGZIRHNU-HOCLYGCPSA-N 1 0 350.482 2.859 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)cs2)cc1 ZINC000841850909 747476336 /nfs/dbraw/zinc/47/63/36/747476336.db2.gz IMMJBUTUSIJRBO-SHTZXODSSA-N 1 0 358.511 2.811 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2Cl)C1 ZINC000841895860 747484104 /nfs/dbraw/zinc/48/41/04/747484104.db2.gz GTNPCPMRGPKAID-ZFWWWQNUSA-N 1 0 350.894 2.819 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2Cl)C1 ZINC000841895656 747484206 /nfs/dbraw/zinc/48/42/06/747484206.db2.gz HCDFQHJMAWTHHE-TXPWEPMLSA-N 1 0 362.905 2.593 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841982396 747495995 /nfs/dbraw/zinc/49/59/95/747495995.db2.gz BFYSVQFYJGGUAL-ZIAGYGMSSA-N 1 0 370.291 2.956 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000841986480 747497388 /nfs/dbraw/zinc/49/73/88/747497388.db2.gz NNKDNTCNNMFJFQ-RISCZKNCSA-N 1 0 370.291 2.827 20 10 FFCDRO Cc1cccc(Cl)c1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784264 747686519 /nfs/dbraw/zinc/68/65/19/747686519.db2.gz DPPVSJCIJUDLBH-INIZCTEOSA-N 1 0 367.902 2.693 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000842786679 747687716 /nfs/dbraw/zinc/68/77/16/747687716.db2.gz UTDYMIKVYPSLCY-MRXNPFEDSA-N 1 0 371.865 2.523 20 10 FFCDRO CCCc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842786260 747687791 /nfs/dbraw/zinc/68/77/91/747687791.db2.gz OVGYPJYRKXQHSG-IBGZPJMESA-N 1 0 361.511 2.683 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(C)cc1O ZINC000842884006 747713701 /nfs/dbraw/zinc/71/37/01/747713701.db2.gz MPOJMPRETVZUGW-GDBMZVCRSA-N 1 0 361.463 2.976 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843433119 747836926 /nfs/dbraw/zinc/83/69/26/747836926.db2.gz UGKBSXWTSAOEIP-CQSZACIVSA-N 1 0 366.767 2.555 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1C1CC1 ZINC000844478607 748039681 /nfs/dbraw/zinc/03/96/81/748039681.db2.gz RHOFSEUVVLGTJG-JKSUJKDBSA-N 1 0 351.830 2.879 20 10 FFCDRO O=C(CC[NH2+]C1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848414028 748920799 /nfs/dbraw/zinc/92/07/99/748920799.db2.gz KXHVYPDPDRTFML-CQSZACIVSA-N 1 0 353.413 2.515 20 10 FFCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848527055 748949841 /nfs/dbraw/zinc/94/98/41/748949841.db2.gz QGKMNNNGIBKQDS-SNVBAGLBSA-N 1 0 359.264 2.682 20 10 FFCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531572 748951387 /nfs/dbraw/zinc/95/13/87/748951387.db2.gz SPHDGBHQOHIBQV-BONVTDFDSA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000848545194 748955245 /nfs/dbraw/zinc/95/52/45/748955245.db2.gz BKVIXYJSIRLYTE-SECBINFHSA-N 1 0 360.248 2.965 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)c1O ZINC000848546649 748956743 /nfs/dbraw/zinc/95/67/43/748956743.db2.gz FBIALLZNKWGKSA-VXNVDRBHSA-N 1 0 354.191 2.830 20 10 FFCDRO CCc1cccc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1O ZINC000848907922 749032444 /nfs/dbraw/zinc/03/24/44/749032444.db2.gz LARQNBGMHFPWMD-UHFFFAOYSA-N 1 0 366.458 2.504 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000850244275 749327233 /nfs/dbraw/zinc/32/72/33/749327233.db2.gz WIHKQNRZZFPYJP-HNNXBMFYSA-N 1 0 355.500 2.755 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H]2CCCCN2CCO)c(O)c(C(C)(C)C)c1 ZINC000850312921 749339856 /nfs/dbraw/zinc/33/98/56/749339856.db2.gz ILDORKYVCZAXIK-INIZCTEOSA-N 1 0 350.503 2.635 20 10 FFCDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405864 749360495 /nfs/dbraw/zinc/36/04/95/749360495.db2.gz IGKBTLKNDTVPPJ-VWLOTQADSA-N 1 0 358.507 2.675 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000850406566 749360759 /nfs/dbraw/zinc/36/07/59/749360759.db2.gz LUABBOXEQKAVNR-RHSMWYFYSA-N 1 0 358.404 2.847 20 10 FFCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H]1CCOC1 ZINC000850484260 749370974 /nfs/dbraw/zinc/37/09/74/749370974.db2.gz FXUGHVLAZCZSFL-YZVOILCLSA-N 1 0 368.905 2.879 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000397402367 845866703 /nfs/dbraw/zinc/86/67/03/845866703.db2.gz ACIRIIZGIXEQSA-GJZGRUSLSA-N 1 0 350.459 2.987 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180647415 970841371 /nfs/dbraw/zinc/84/13/71/970841371.db2.gz DHXWHLUHTCQQMO-CKDFRHGISA-N 1 0 352.434 2.892 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)cc1OC ZINC000895799539 970966977 /nfs/dbraw/zinc/96/69/77/970966977.db2.gz SLYUBJKXLCPXES-MRXNPFEDSA-N 1 0 365.470 2.865 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)cc1F ZINC000184244355 971178372 /nfs/dbraw/zinc/17/83/72/971178372.db2.gz OANKMWOKWXBGFI-UHFFFAOYSA-N 1 0 363.477 2.782 20 10 FFCDRO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001275837328 1013066437 /nfs/dbraw/zinc/06/64/37/1013066437.db2.gz HUPVCWYZGZHPKE-ZDUSSCGKSA-N 1 0 364.873 2.838 20 10 FFCDRO COC(=O)c1c(CNCc2cc(N(C)C)cc[nH+]2)c2cc(F)ccc2n1C ZINC000896298320 971401037 /nfs/dbraw/zinc/40/10/37/971401037.db2.gz ITCNWNKYDZYGGU-UHFFFAOYSA-N 1 0 370.428 2.855 20 10 FFCDRO Cc1nccnc1[C@H](C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896320808 971420376 /nfs/dbraw/zinc/42/03/76/971420376.db2.gz ZPAINPBQZIYHLO-YJBOKZPZSA-N 1 0 370.501 2.514 20 10 FFCDRO COc1cccc(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c1O ZINC000729556549 971476002 /nfs/dbraw/zinc/47/60/02/971476002.db2.gz COVVJESKZLXMNK-UHFFFAOYSA-N 1 0 359.426 2.663 20 10 FFCDRO C[C@@H]1[C@H](C[NH3+])CCCN1Cc1ccc(I)cc1O ZINC001205916602 1032065869 /nfs/dbraw/zinc/06/58/69/1032065869.db2.gz UTPAISWCRDSKON-MNOVXSKESA-N 1 0 360.239 2.556 20 10 FFCDRO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001275892658 1013147952 /nfs/dbraw/zinc/14/79/52/1013147952.db2.gz HXCABAKQVSNJBS-HFBAOOFYSA-N 1 0 350.846 2.588 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCO2)cc1C ZINC001087115924 960533807 /nfs/dbraw/zinc/53/38/07/960533807.db2.gz JTEKUOBHEINILE-MOXGXCLJSA-N 1 0 360.498 2.899 20 10 FFCDRO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001275951841 1013221331 /nfs/dbraw/zinc/22/13/31/1013221331.db2.gz PCCDOPVYOCZYSQ-CWFSZBLJSA-N 1 0 357.498 2.604 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000653147087 962249648 /nfs/dbraw/zinc/24/96/48/962249648.db2.gz NAKYKVDFCGNHNJ-HUUCEWRRSA-N 1 0 355.482 2.772 20 10 FFCDRO COc1ccc(C[NH2+]CCCN2CCCCCC2=O)cc1Cn1cccn1 ZINC000873008929 1013344356 /nfs/dbraw/zinc/34/43/56/1013344356.db2.gz VZKIKJCFKSLXOQ-UHFFFAOYSA-N 1 0 370.497 2.822 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)CCOC3)[NH+](C)C)cc1 ZINC000891245446 962564734 /nfs/dbraw/zinc/56/47/34/962564734.db2.gz FDOXFHZLNYWYMD-NRFANRHFSA-N 1 0 367.493 2.858 20 10 FFCDRO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253354 962604478 /nfs/dbraw/zinc/60/44/78/962604478.db2.gz RMJHXUPTECHQRC-SCLBCKFNSA-N 1 0 357.502 2.615 20 10 FFCDRO Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc2nccn12 ZINC000891254651 962612716 /nfs/dbraw/zinc/61/27/16/962612716.db2.gz ZVKQKDFXVLLMGZ-MRXNPFEDSA-N 1 0 371.510 2.803 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4c3SCCC4)cc2)CC1 ZINC001167426974 963030090 /nfs/dbraw/zinc/03/00/90/963030090.db2.gz RMPZFUBGUNMFDK-UHFFFAOYSA-N 1 0 355.511 2.879 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)cn4ncnc34)cc2)CC1 ZINC001167431446 963093384 /nfs/dbraw/zinc/09/33/84/963093384.db2.gz ZYSXLHBEGZVNGH-UHFFFAOYSA-N 1 0 356.861 2.747 20 10 FFCDRO CN1CC[C@@]2(CCC[N@H+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001276077733 1013409861 /nfs/dbraw/zinc/40/98/61/1013409861.db2.gz UZTCODRMLKUMNV-QGZVFWFLSA-N 1 0 367.287 2.989 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000160687237 963311148 /nfs/dbraw/zinc/31/11/48/963311148.db2.gz QOHVVYAODMXDKF-UHFFFAOYSA-N 1 0 367.493 2.854 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000891392604 963818142 /nfs/dbraw/zinc/81/81/42/963818142.db2.gz XJIWLHBYMIIYCI-ZBFHGGJFSA-N 1 0 372.435 2.811 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891589684 964522825 /nfs/dbraw/zinc/52/28/25/964522825.db2.gz LUPONWDNFYZWEZ-OAQYLSRUSA-N 1 0 354.498 2.738 20 10 FFCDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000729436867 965313181 /nfs/dbraw/zinc/31/31/81/965313181.db2.gz KYLUSZBKJVNMFW-UHFFFAOYSA-N 1 0 372.513 2.920 20 10 FFCDRO Cn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(C2CC2)n1 ZINC000894843813 965875309 /nfs/dbraw/zinc/87/53/09/965875309.db2.gz RFEQOVWHQPSPIA-UHFFFAOYSA-N 1 0 362.424 2.702 20 10 FFCDRO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(N2CCOCC2)cc1 ZINC001176185772 1013643637 /nfs/dbraw/zinc/64/36/37/1013643637.db2.gz RYDBPRFBTUJDNQ-UHFFFAOYSA-N 1 0 354.450 2.926 20 10 FFCDRO CCOc1cccc(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)c1O ZINC000894928152 967107704 /nfs/dbraw/zinc/10/77/04/967107704.db2.gz ZXMKHYIBTQGYFS-UHFFFAOYSA-N 1 0 371.437 2.587 20 10 FFCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000139957103 968216019 /nfs/dbraw/zinc/21/60/19/968216019.db2.gz ITJLYZSGNOKMGN-ROUUACIJSA-N 1 0 374.529 2.758 20 10 FFCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001177066346 1013842200 /nfs/dbraw/zinc/84/22/00/1013842200.db2.gz UFGWSPQYWPHYAZ-QFIPXVFZSA-N 1 0 370.516 2.970 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)CC2)cc1 ZINC000892812319 970305286 /nfs/dbraw/zinc/30/52/86/970305286.db2.gz LDWSHZQRGFXGDN-OALUTQOASA-N 1 0 364.461 2.887 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237265685 970581346 /nfs/dbraw/zinc/58/13/46/970581346.db2.gz ZOHVPWPXVSLIDZ-FQEVSTJZSA-N 1 0 353.466 2.824 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccc1O ZINC000875392869 1014021736 /nfs/dbraw/zinc/02/17/36/1014021736.db2.gz FGELESRGBAKJOK-DKSSEZFCSA-N 1 0 361.486 2.520 20 10 FFCDRO COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068672 974068935 /nfs/dbraw/zinc/06/89/35/974068935.db2.gz PFCTYABXBUWBEV-WBVHZDCISA-N 1 0 364.461 2.936 20 10 FFCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840956739 974277388 /nfs/dbraw/zinc/27/73/88/974277388.db2.gz CWLGIEZPXHWNOY-IBGZPJMESA-N 1 0 354.450 2.596 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCCC1 ZINC000651918214 974470424 /nfs/dbraw/zinc/47/04/24/974470424.db2.gz MYJDMHPZCNFQGN-IYBDPMFKSA-N 1 0 367.493 2.549 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000653049478 1014214884 /nfs/dbraw/zinc/21/48/84/1014214884.db2.gz NGWUGDWKUQKRQD-HNNXBMFYSA-N 1 0 355.482 2.645 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000652557393 975239517 /nfs/dbraw/zinc/23/95/17/975239517.db2.gz CHQFGIKKQJCLIQ-HOTGVXAUSA-N 1 0 367.493 2.597 20 10 FFCDRO Cc1ccccc1CO[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506083 1014288253 /nfs/dbraw/zinc/28/82/53/1014288253.db2.gz DSQKXLHYIMIHGO-OXJNMPFZSA-N 1 0 355.482 2.782 20 10 FFCDRO C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237501267 976065420 /nfs/dbraw/zinc/06/54/20/976065420.db2.gz OYEZSJHZXINGOK-MJGOQNOKSA-N 1 0 359.514 2.507 20 10 FFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876654885 1014342743 /nfs/dbraw/zinc/34/27/43/1014342743.db2.gz SQWFCXPTSGZFTF-IBGZPJMESA-N 1 0 373.541 2.632 20 10 FFCDRO Cc1ncccc1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898918835 976776281 /nfs/dbraw/zinc/77/62/81/976776281.db2.gz XVQIICWELCWROO-FQEVSTJZSA-N 1 0 369.513 2.601 20 10 FFCDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000876696715 1014355705 /nfs/dbraw/zinc/35/57/05/1014355705.db2.gz JESPFURUXXJSMR-IHVSBYRNSA-N 1 0 367.493 2.685 20 10 FFCDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876728736 1014366632 /nfs/dbraw/zinc/36/66/32/1014366632.db2.gz UHNVQNFOFZOJGR-IBGZPJMESA-N 1 0 367.497 2.646 20 10 FFCDRO CC1(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)OCCO1 ZINC000876726758 1014367724 /nfs/dbraw/zinc/36/77/24/1014367724.db2.gz PPYRFWCIJXAHNW-UHFFFAOYSA-N 1 0 360.498 2.623 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(O)c1 ZINC000876971582 1014436540 /nfs/dbraw/zinc/43/65/40/1014436540.db2.gz BQEISTTYEOPGNV-IBGZPJMESA-N 1 0 354.450 2.899 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)cc1F ZINC000876988180 1014441267 /nfs/dbraw/zinc/44/12/67/1014441267.db2.gz CGRUYWVQEDJPDK-UHFFFAOYSA-N 1 0 362.449 2.870 20 10 FFCDRO CC(C)c1noc(CCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877007292 1014447129 /nfs/dbraw/zinc/44/71/29/1014447129.db2.gz KQXPHSQZOTXCKC-UHFFFAOYSA-N 1 0 358.486 2.877 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000047393006 978059912 /nfs/dbraw/zinc/05/99/12/978059912.db2.gz PQDCQAXFPIWHMB-UHFFFAOYSA-N 1 0 354.454 2.808 20 10 FFCDRO COC(=O)c1c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2n1C ZINC000894188083 978124611 /nfs/dbraw/zinc/12/46/11/978124611.db2.gz QGCCOBTVZBQEFX-LSDHHAIUSA-N 1 0 359.445 2.820 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCN(c4ncccc4F)C3)cc2)CC1 ZINC000877110854 1014477652 /nfs/dbraw/zinc/47/76/52/1014477652.db2.gz FDWHYPGAARCHSW-KRWDZBQOSA-N 1 0 370.472 2.550 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(O)c1 ZINC000877146380 1014489381 /nfs/dbraw/zinc/48/93/81/1014489381.db2.gz RXKGMTZWLCQDLS-GOSISDBHSA-N 1 0 353.466 2.692 20 10 FFCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877480747 1014595446 /nfs/dbraw/zinc/59/54/46/1014595446.db2.gz GYBIWLVNKYQHBJ-GOSISDBHSA-N 1 0 354.498 2.761 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C(F)(F)F ZINC000877516412 1014609934 /nfs/dbraw/zinc/60/99/34/1014609934.db2.gz DXYRIHPAUHLLMF-YJBOKZPZSA-N 1 0 372.431 2.640 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC000877532450 1014615347 /nfs/dbraw/zinc/61/53/47/1014615347.db2.gz GLUOWQKYYVWXPV-GFCCVEGCSA-N 1 0 361.442 2.940 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H](O)Cc1ccccc1 ZINC000877548759 1014623186 /nfs/dbraw/zinc/62/31/86/1014623186.db2.gz APDRBBWFWPJNLI-QFIPXVFZSA-N 1 0 354.494 2.683 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C[NH3+] ZINC000904667142 980324144 /nfs/dbraw/zinc/32/41/44/980324144.db2.gz WLVLQLLXHLLOHK-UHFFFAOYSA-N 1 0 354.454 2.646 20 10 FFCDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877773773 1014721020 /nfs/dbraw/zinc/72/10/20/1014721020.db2.gz XNGZFCPAQBVDSK-UHFFFAOYSA-N 1 0 373.541 2.728 20 10 FFCDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000877772726 1014721332 /nfs/dbraw/zinc/72/13/32/1014721332.db2.gz PEVHFPJLSBWYEA-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001142520354 982525444 /nfs/dbraw/zinc/52/54/44/982525444.db2.gz HBFKUCCEZGZKTB-UHFFFAOYSA-N 1 0 351.397 2.835 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842005376 982567400 /nfs/dbraw/zinc/56/74/00/982567400.db2.gz SRMHVYPMRQYIIY-KRWDZBQOSA-N 1 0 366.456 2.816 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000897986257 982584529 /nfs/dbraw/zinc/58/45/29/982584529.db2.gz AHIMPDKEVBVAPR-AATOQMJSSA-N 1 0 354.454 2.874 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c1 ZINC000185427601 983878110 /nfs/dbraw/zinc/87/81/10/983878110.db2.gz QQXPAVAFOUUWKZ-PKOBYXMFSA-N 1 0 370.493 2.995 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]([NH+]4CCC4)C3)ccc21 ZINC000912917696 984146328 /nfs/dbraw/zinc/14/63/28/984146328.db2.gz MCTYWQZPSZEHRC-GOSISDBHSA-N 1 0 355.482 2.825 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)cc1 ZINC000054771876 984300556 /nfs/dbraw/zinc/30/05/56/984300556.db2.gz ZAGFLGRRFHKWRG-LJQANCHMSA-N 1 0 374.456 2.534 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000164285024 984347447 /nfs/dbraw/zinc/34/74/47/984347447.db2.gz CHIAOEUWGMOPQV-UHFFFAOYSA-N 1 0 359.514 2.576 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1C1CCCCC1 ZINC000131588061 986187042 /nfs/dbraw/zinc/18/70/42/986187042.db2.gz MAACRNASBGIOBQ-HXUWFJFHSA-N 1 0 357.498 2.546 20 10 FFCDRO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000029889909 986768101 /nfs/dbraw/zinc/76/81/01/986768101.db2.gz FQFCUEPNVAFFRD-INIZCTEOSA-N 1 0 355.482 2.578 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153279025 987838499 /nfs/dbraw/zinc/83/84/99/987838499.db2.gz UIJIKZOHZXWZCQ-WMLDXEAASA-N 1 0 358.438 2.572 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(c4ccccc4)C[C@@H](O)C3)cc2)CC1 ZINC000922531165 988675762 /nfs/dbraw/zinc/67/57/62/988675762.db2.gz KMGOIDTZJAWYNV-YHBQERECSA-N 1 0 365.521 2.621 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1 ZINC000186955535 989459674 /nfs/dbraw/zinc/45/96/74/989459674.db2.gz AVNYDIIBIOYPCH-QZTJIDSGSA-N 1 0 355.482 2.621 20 10 FFCDRO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154085704 989835935 /nfs/dbraw/zinc/83/59/35/989835935.db2.gz QFLKEXMKNQZXFH-GOSISDBHSA-N 1 0 361.530 2.848 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000917020593 990095219 /nfs/dbraw/zinc/09/52/19/990095219.db2.gz SYLAHBCYVZLTMF-HXUWFJFHSA-N 1 0 362.420 2.967 20 10 FFCDRO CC(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCCC1 ZINC000154734913 990405165 /nfs/dbraw/zinc/40/51/65/990405165.db2.gz CUTOXCLFZYJLIS-HXUWFJFHSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3c[nH]nc3C)CC2)cc1 ZINC000180019059 991407262 /nfs/dbraw/zinc/40/72/62/991407262.db2.gz DLJPJXBGBKQFFB-INIZCTEOSA-N 1 0 357.502 2.590 20 10 FFCDRO [NH3+]Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000237990331 991428433 /nfs/dbraw/zinc/42/84/33/991428433.db2.gz XGKGWQJELRHUEQ-LBPRGKRZSA-N 1 0 365.380 2.739 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000185213416 993233973 /nfs/dbraw/zinc/23/39/73/993233973.db2.gz FRVINVSCULUXQA-QGZVFWFLSA-N 1 0 353.466 2.700 20 10 FFCDRO CC(C)n1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nn1 ZINC000808401211 994112119 /nfs/dbraw/zinc/11/21/19/994112119.db2.gz HMRBMTNATHVKAL-UHFFFAOYSA-N 1 0 368.529 2.681 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593220742 994315032 /nfs/dbraw/zinc/31/50/32/994315032.db2.gz USRORYOMIOAPFR-KPFBPEDLSA-N 1 0 368.433 2.997 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000747548109 994447366 /nfs/dbraw/zinc/44/73/66/994447366.db2.gz VPRKSAIFPRIGBC-LBPRGKRZSA-N 1 0 353.382 2.864 20 10 FFCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000809723092 994593492 /nfs/dbraw/zinc/59/34/92/994593492.db2.gz BGIFUKOLLGMEGP-OAHLLOKOSA-N 1 0 366.458 2.852 20 10 FFCDRO CCc1ocnc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082455403 994669816 /nfs/dbraw/zinc/66/98/16/994669816.db2.gz FSJWOENSCPPADF-GDBMZVCRSA-N 1 0 357.454 2.804 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cncc(F)c3)C[C@H]2C)cc1C ZINC001082471646 994701047 /nfs/dbraw/zinc/70/10/47/994701047.db2.gz DVIVYFACGYOIGU-RDTXWAMCSA-N 1 0 357.429 2.788 20 10 FFCDRO CCCC[C@@H](C)[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000810124816 994706550 /nfs/dbraw/zinc/70/65/50/994706550.db2.gz KNESHGCUKIJHFY-QUCCMNQESA-N 1 0 363.546 2.689 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCN1C1CCOCC1 ZINC000747622726 994867995 /nfs/dbraw/zinc/86/79/95/994867995.db2.gz VSXYSKRREMNDNY-HXUWFJFHSA-N 1 0 366.461 2.929 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](OC)C3CCC3)C[C@H]2C)cc1C ZINC001082669790 995227875 /nfs/dbraw/zinc/22/78/75/995227875.db2.gz VXOGAPWZDAJXOO-XFQXTVEOSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1ccnc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)c1 ZINC001082679264 995236461 /nfs/dbraw/zinc/23/64/61/995236461.db2.gz JPHSDANINOQINY-DNVCBOLYSA-N 1 0 369.465 2.658 20 10 FFCDRO CCC[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000812452926 995437988 /nfs/dbraw/zinc/43/79/88/995437988.db2.gz DVKKGQBUJDKTKL-YLJYHZDGSA-N 1 0 359.514 2.760 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)n(C)c1C ZINC000812749025 995524817 /nfs/dbraw/zinc/52/48/17/995524817.db2.gz ZZBMSPKRDCDXNY-UHFFFAOYSA-N 1 0 371.481 2.887 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H](C)n3cccn3)C[C@H]2C)cc1C ZINC001082848627 995630654 /nfs/dbraw/zinc/63/06/54/995630654.db2.gz CQTIIYMSSSZFGP-ZIFCJYIRSA-N 1 0 370.497 2.788 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)C1 ZINC000824084722 996792688 /nfs/dbraw/zinc/79/26/88/996792688.db2.gz HRPVNEMISBJDLS-QGZVFWFLSA-N 1 0 364.449 2.819 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000824685341 997052034 /nfs/dbraw/zinc/05/20/34/997052034.db2.gz DMNKCIINVOVGOV-ROUUACIJSA-N 1 0 374.529 2.505 20 10 FFCDRO CC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC[NH2+]1 ZINC000844172652 997692773 /nfs/dbraw/zinc/69/27/73/997692773.db2.gz LORGGUHZYKWPSK-STXHMFSFSA-N 1 0 363.477 2.588 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000826893784 1016160580 /nfs/dbraw/zinc/16/05/80/1016160580.db2.gz BGFSYBOTZSLNQW-IRLDBZIGSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000844951778 998270307 /nfs/dbraw/zinc/27/03/07/998270307.db2.gz JLWZEQCFFRCKRD-UHFFFAOYSA-N 1 0 362.518 2.505 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2F)C[C@@H](C)O1 ZINC000731871030 998313193 /nfs/dbraw/zinc/31/31/93/998313193.db2.gz UROOJILDXDKFPM-SPYBWZPUSA-N 1 0 363.477 2.540 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000732283312 998597775 /nfs/dbraw/zinc/59/77/75/998597775.db2.gz WKPABWHUFJMXGQ-QGZVFWFLSA-N 1 0 367.440 2.857 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)cc(O)cc2O)C1 ZINC001144504484 998612500 /nfs/dbraw/zinc/61/25/00/998612500.db2.gz ROKSGNMLGDRAHF-SWLSCSKDSA-N 1 0 364.442 2.635 20 10 FFCDRO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509159 998622771 /nfs/dbraw/zinc/62/27/71/998622771.db2.gz NCETZPYFOPTDAF-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3nccc4ccccc43)CC2)c(O)c1 ZINC001144509251 998622794 /nfs/dbraw/zinc/62/27/94/998622794.db2.gz QJCXXXULQMMPDK-UHFFFAOYSA-N 1 0 351.406 2.674 20 10 FFCDRO COc1ccc(C(=O)C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144514884 998625846 /nfs/dbraw/zinc/62/58/46/998625846.db2.gz WGDOOTNVOBSSFU-UHFFFAOYSA-N 1 0 357.406 2.907 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001144515888 998627783 /nfs/dbraw/zinc/62/77/83/998627783.db2.gz HZHPGUQVMGRKCX-UHFFFAOYSA-N 1 0 354.450 2.901 20 10 FFCDRO COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000826945554 1016239519 /nfs/dbraw/zinc/23/95/19/1016239519.db2.gz CTVAMDAPSCLBQR-BBWFWOEESA-N 1 0 362.518 2.564 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)c2)cc1C ZINC001085129470 998994688 /nfs/dbraw/zinc/99/46/88/998994688.db2.gz PLVAVEYQBOYYME-QZTJIDSGSA-N 1 0 356.470 2.568 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)C(F)(F)F)CC2)cc1 ZINC000742492428 999775595 /nfs/dbraw/zinc/77/55/95/999775595.db2.gz ZIWBVPDNOZDDOZ-AWEZNQCLSA-N 1 0 373.419 2.522 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(C)C)C3)CC2)cc1 ZINC000745946432 999937490 /nfs/dbraw/zinc/93/74/90/999937490.db2.gz DZCYBPPFVDEDER-SFHVURJKSA-N 1 0 359.514 2.712 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(C)c3O)CC2=O)cc1 ZINC001168910293 1000008058 /nfs/dbraw/zinc/00/80/58/1000008058.db2.gz VTOHRVIXEIVBFT-GOSISDBHSA-N 1 0 354.450 2.990 20 10 FFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168986954 1000015871 /nfs/dbraw/zinc/01/58/71/1000015871.db2.gz GOBLRTGQYQFLSC-TUGJPZLJSA-N 1 0 371.437 2.874 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000845972298 1000188358 /nfs/dbraw/zinc/18/83/58/1000188358.db2.gz MHKQXCZSPQOBFM-NSHDSACASA-N 1 0 360.366 2.931 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c1O ZINC000846153032 1000210432 /nfs/dbraw/zinc/21/04/32/1000210432.db2.gz DVBMQDZZGXJBRB-CVEARBPZSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1O ZINC000846140374 1000217764 /nfs/dbraw/zinc/21/77/64/1000217764.db2.gz PMIZHLGYMPJIIJ-HUUCEWRRSA-N 1 0 357.454 2.872 20 10 FFCDRO c1csc(CC[NH+]2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000768357060 1000225423 /nfs/dbraw/zinc/22/54/23/1000225423.db2.gz GVCDUAFDARAXMC-UHFFFAOYSA-N 1 0 371.550 2.945 20 10 FFCDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768440317 1000249171 /nfs/dbraw/zinc/24/91/71/1000249171.db2.gz VSUPVNSXCLXIIF-OAQYLSRUSA-N 1 0 368.477 2.834 20 10 FFCDRO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC000768465479 1000263170 /nfs/dbraw/zinc/26/31/70/1000263170.db2.gz NYKOWXZBAZJOHY-FQEVSTJZSA-N 1 0 353.418 2.621 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cn1cnc3ccccc31)[C@@H](O)CO2 ZINC000768465924 1000263481 /nfs/dbraw/zinc/26/34/81/1000263481.db2.gz SOPSQZFSVAENPA-QRWLVFNGSA-N 1 0 365.433 2.832 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cn1cnc3ccccc31)[C@@H](O)CO2 ZINC000768465926 1000263874 /nfs/dbraw/zinc/26/38/74/1000263874.db2.gz SOPSQZFSVAENPA-YWZLYKJASA-N 1 0 365.433 2.832 20 10 FFCDRO COCc1nnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000768528429 1000285295 /nfs/dbraw/zinc/28/52/95/1000285295.db2.gz PUOKBVHURRCJMY-UHFFFAOYSA-N 1 0 373.526 2.829 20 10 FFCDRO COc1ccc(CN2CCC[N@H+](Cc3cc(C)ccc3O)CC2=O)cc1 ZINC000768536092 1000288881 /nfs/dbraw/zinc/28/88/81/1000288881.db2.gz PPXKFRZKALHQLG-UHFFFAOYSA-N 1 0 354.450 2.944 20 10 FFCDRO CC1(OCC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000768913680 1000384976 /nfs/dbraw/zinc/38/49/76/1000384976.db2.gz OUZLGZYDSUDOGF-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000846664344 1000404006 /nfs/dbraw/zinc/40/40/06/1000404006.db2.gz YDGIRIGWTJWWFS-HRCADAONSA-N 1 0 373.419 2.616 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](N)CC[NH+](C)C ZINC000846677068 1000406811 /nfs/dbraw/zinc/40/68/11/1000406811.db2.gz MUVOGGPYJNTIGM-VQIMIIECSA-N 1 0 355.482 2.761 20 10 FFCDRO C[N@H+](CCN1CCCC1=O)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769390452 1000505580 /nfs/dbraw/zinc/50/55/80/1000505580.db2.gz VDMXZXFUCXVJQX-UHFFFAOYSA-N 1 0 360.458 2.639 20 10 FFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](CC)CN1C(C)=O ZINC000769499097 1000534272 /nfs/dbraw/zinc/53/42/72/1000534272.db2.gz WQQZPAZNKNRLNI-PMACEKPBSA-N 1 0 359.514 2.745 20 10 FFCDRO Cc1cccc(N(C(=O)c2cccc(O)c2O)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001148213821 1001068881 /nfs/dbraw/zinc/06/88/81/1001068881.db2.gz KGVOVJWVFUBDJR-IERDGZPVSA-N 1 0 368.433 2.574 20 10 FFCDRO CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771518390 1001135251 /nfs/dbraw/zinc/13/52/51/1001135251.db2.gz QZLVABXDXVQMER-HXUWFJFHSA-N 1 0 370.541 2.982 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000788586151 1001828104 /nfs/dbraw/zinc/82/81/04/1001828104.db2.gz YRURJTFQJVLRSQ-QKKBWIMNSA-N 1 0 367.449 2.914 20 10 FFCDRO CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000788606879 1001831719 /nfs/dbraw/zinc/83/17/19/1001831719.db2.gz AJZOGJLPKDRLDE-HUUCEWRRSA-N 1 0 365.428 2.917 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1 ZINC000774420180 1001903375 /nfs/dbraw/zinc/90/33/75/1001903375.db2.gz RKGCLVOBIWBBLR-FQEVSTJZSA-N 1 0 373.522 2.803 20 10 FFCDRO C=C/C(C)=C/CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000789946406 1002236140 /nfs/dbraw/zinc/23/61/40/1002236140.db2.gz HACOHOGJQJMTJS-NGYBGAFCSA-N 1 0 357.498 2.846 20 10 FFCDRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3ccccc3O)c2)C1=O ZINC000790612379 1002447632 /nfs/dbraw/zinc/44/76/32/1002447632.db2.gz XIVBQPAUZYYWPM-NRFANRHFSA-N 1 0 365.433 2.907 20 10 FFCDRO Fc1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)ccc1N1CCOCC1 ZINC000790619757 1002448375 /nfs/dbraw/zinc/44/83/75/1002448375.db2.gz RLLPHBXTOOZKQA-UHFFFAOYSA-N 1 0 354.429 2.871 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(C1)OCc1ccccc13)[C@@H](O)CO2 ZINC000774701034 1002448701 /nfs/dbraw/zinc/44/87/01/1002448701.db2.gz FWWUSGKQDJAARW-PZJWPPBQSA-N 1 0 353.418 2.840 20 10 FFCDRO O=C(CNc1ccc(COC2CC[NH2+]CC2)cc1)c1ccc(O)c(O)c1 ZINC001170323334 1003112061 /nfs/dbraw/zinc/11/20/61/1003112061.db2.gz XIPIGVQZPWPKQH-UHFFFAOYSA-N 1 0 356.422 2.661 20 10 FFCDRO COc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(O)c1 ZINC000792797313 1003182457 /nfs/dbraw/zinc/18/24/57/1003182457.db2.gz LBYIYKZJSBANIO-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO Cc1cccc(CC2(O)CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000793324881 1003337498 /nfs/dbraw/zinc/33/74/98/1003337498.db2.gz WWHQOGQXHLYOAF-UHFFFAOYSA-N 1 0 355.434 2.999 20 10 FFCDRO COc1ccc(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(O)c1 ZINC000794378069 1003619490 /nfs/dbraw/zinc/61/94/90/1003619490.db2.gz OSFIWXZYCYBHCN-IZZDOVSWSA-N 1 0 370.449 2.671 20 10 FFCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775677743 1003633214 /nfs/dbraw/zinc/63/32/14/1003633214.db2.gz IKPBESYWODRIJB-XLIONFOSSA-N 1 0 359.514 2.902 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)cc2=O ZINC000775710251 1003745678 /nfs/dbraw/zinc/74/56/78/1003745678.db2.gz VWABDMIWSLCAJX-DOMZBBRYSA-N 1 0 360.458 2.916 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1CC(F)(F)F ZINC000775745231 1003982969 /nfs/dbraw/zinc/98/29/69/1003982969.db2.gz RYJQQLXALIRFCA-MRXNPFEDSA-N 1 0 370.463 2.507 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3C)C2)cc1C ZINC001086646220 1004424489 /nfs/dbraw/zinc/42/44/89/1004424489.db2.gz HCIGJBALGDRFCV-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775829971 1004526913 /nfs/dbraw/zinc/52/69/13/1004526913.db2.gz BUNMUDZHVBBDPY-HNAYVOBHSA-N 1 0 372.465 2.630 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)Cc1ccccc1 ZINC000775955765 1004923590 /nfs/dbraw/zinc/92/35/90/1004923590.db2.gz PHENEJRBROKNGT-SFHVURJKSA-N 1 0 372.534 2.890 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@H]3C(C)C)CC2)cc1 ZINC000776036922 1005056352 /nfs/dbraw/zinc/05/63/52/1005056352.db2.gz BRXJHIFOPBDSAY-FQEVSTJZSA-N 1 0 374.529 2.647 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1CCCc1ccccc1 ZINC001200950888 1005154408 /nfs/dbraw/zinc/15/44/08/1005154408.db2.gz JFGKBOYARGHVSD-HXUWFJFHSA-N 1 0 350.462 2.945 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000776160790 1005204926 /nfs/dbraw/zinc/20/49/26/1005204926.db2.gz RDIAXAAUHNELCJ-PWRODBHTSA-N 1 0 373.541 2.610 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000776174884 1005215461 /nfs/dbraw/zinc/21/54/61/1005215461.db2.gz CLUMAHUJEXKMIO-OAQYLSRUSA-N 1 0 356.466 2.518 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1Cn1cccn1 ZINC001202011123 1005295337 /nfs/dbraw/zinc/29/53/37/1005295337.db2.gz UVRVFQREKCWSMG-OAQYLSRUSA-N 1 0 365.477 2.942 20 10 FFCDRO Fc1cc(C[NH2+]CCc2ccc3c(c2)CCO3)ccc1N1CCOCC1 ZINC001201988546 1005297944 /nfs/dbraw/zinc/29/79/44/1005297944.db2.gz BJEKTNBGISKXGY-UHFFFAOYSA-N 1 0 356.441 2.930 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C ZINC000827066801 1016968712 /nfs/dbraw/zinc/96/87/12/1016968712.db2.gz VAIYBXULNXSAKY-MRXNPFEDSA-N 1 0 362.470 2.877 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C ZINC000827066171 1016968829 /nfs/dbraw/zinc/96/88/29/1016968829.db2.gz PHIVUCOBQFBKOO-INIZCTEOSA-N 1 0 362.470 2.872 20 10 FFCDRO COCc1csc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000850060227 1005782164 /nfs/dbraw/zinc/78/21/64/1005782164.db2.gz SJZLYPUUXVHKQT-KRWDZBQOSA-N 1 0 373.522 2.886 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cncn4)c(C)c3)C2)cc1 ZINC000850346231 1005808980 /nfs/dbraw/zinc/80/89/80/1005808980.db2.gz CTNQZGUMXJRCHH-SFHVURJKSA-N 1 0 363.465 2.953 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(OC)c4c(c3)OCCO4)C2)cc1 ZINC000850346917 1005809095 /nfs/dbraw/zinc/80/90/95/1005809095.db2.gz ZHIRYSCVUZUBOW-INIZCTEOSA-N 1 0 370.449 2.844 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(-n4ccnc4)nc3)cc2)CC1 ZINC000850406010 1005813718 /nfs/dbraw/zinc/81/37/18/1005813718.db2.gz OFDXBYLQSAPFNU-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000850486583 1005818121 /nfs/dbraw/zinc/81/81/21/1005818121.db2.gz BXYPFCPMFVJFMX-GOSISDBHSA-N 1 0 352.482 2.928 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc(-n4cnnn4)c3)C2)cc1 ZINC000850486201 1005818208 /nfs/dbraw/zinc/81/82/08/1005818208.db2.gz AUVKJJGYXGMWNU-RDJZCZTQSA-N 1 0 364.453 2.600 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000851672515 1005905183 /nfs/dbraw/zinc/90/51/83/1005905183.db2.gz AMXDWQIPDAMUPQ-POZUXBRTSA-N 1 0 369.465 2.907 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCCCCC[NH+]3CCCC3)C2)cc1 ZINC000852356612 1005991552 /nfs/dbraw/zinc/99/15/52/1005991552.db2.gz JLNIUIRVCDWUNB-SFHVURJKSA-N 1 0 374.529 2.839 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000852403275 1006007444 /nfs/dbraw/zinc/00/74/44/1006007444.db2.gz KPSVTXMEEZIFFU-PWIZWCRZSA-N 1 0 372.513 2.590 20 10 FFCDRO CCC[C@H]([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881357890 1006060240 /nfs/dbraw/zinc/06/02/40/1006060240.db2.gz ZALQHYRWNHETGX-INIZCTEOSA-N 1 0 370.432 2.903 20 10 FFCDRO COC(=O)NC1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000852765566 1006172645 /nfs/dbraw/zinc/17/26/45/1006172645.db2.gz RWRIRXZXRZOUGQ-UHFFFAOYSA-N 1 0 361.486 2.622 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3CC4CCC3CC4)CC2)cc1 ZINC000814651344 1006379325 /nfs/dbraw/zinc/37/93/25/1006379325.db2.gz FXIMLXVBHQGWOX-UHYCVJNDSA-N 1 0 357.498 2.512 20 10 FFCDRO Cc1ccc(F)c(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001134681565 1006443750 /nfs/dbraw/zinc/44/37/50/1006443750.db2.gz AIJGGGUYZORNEN-LJQANCHMSA-N 1 0 373.472 2.998 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](N(C)C(=O)N(C)C)C3)c2c1 ZINC000853583880 1006457955 /nfs/dbraw/zinc/45/79/55/1006457955.db2.gz YEJJXCZCZRJADC-HNNXBMFYSA-N 1 0 357.454 2.742 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000815082528 1006511771 /nfs/dbraw/zinc/51/17/71/1006511771.db2.gz WKWKCQALZIGDQV-HRAATJIYSA-N 1 0 358.457 2.917 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H]1n1cccn1 ZINC000815167037 1006525376 /nfs/dbraw/zinc/52/53/76/1006525376.db2.gz OCNBYOKQWWAHBC-NJDAHSKKSA-N 1 0 370.497 2.869 20 10 FFCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883055542 1006620422 /nfs/dbraw/zinc/62/04/22/1006620422.db2.gz MXIISXSOVJDJBD-QGZVFWFLSA-N 1 0 361.392 2.732 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3c4c(nn3C)CCSC4)C2)cc1 ZINC000883150004 1006672934 /nfs/dbraw/zinc/67/29/34/1006672934.db2.gz RDDQNMONIBIAST-HNNXBMFYSA-N 1 0 372.538 2.834 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883257105 1006720805 /nfs/dbraw/zinc/72/08/05/1006720805.db2.gz RKOBDRZVRHTHNN-FQEVSTJZSA-N 1 0 360.498 2.589 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000854300394 1006766176 /nfs/dbraw/zinc/76/61/76/1006766176.db2.gz YZHYIGHUNDSOPK-SJLPKXTDSA-N 1 0 374.529 2.646 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300760 1006766657 /nfs/dbraw/zinc/76/66/57/1006766657.db2.gz ZSFOIXAFHBPIOP-UHOSZYNNSA-N 1 0 372.513 2.542 20 10 FFCDRO COC1(CO)CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000775206230 1006793188 /nfs/dbraw/zinc/79/31/88/1006793188.db2.gz WRSZWEASHXDURL-UHFFFAOYSA-N 1 0 363.458 2.558 20 10 FFCDRO CCN(CC)C(=O)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816482949 1007063115 /nfs/dbraw/zinc/06/31/15/1007063115.db2.gz ZNYYVGGAHARAGG-UHFFFAOYSA-N 1 0 355.482 2.531 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000775256530 1007086985 /nfs/dbraw/zinc/08/69/85/1007086985.db2.gz ZLRYTVQCIULVTI-KZNAEPCWSA-N 1 0 359.514 2.678 20 10 FFCDRO Cc1ncc2n1C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC2 ZINC000816922051 1007258647 /nfs/dbraw/zinc/25/86/47/1007258647.db2.gz PTJGKEMXKGRWOS-MJGOQNOKSA-N 1 0 369.465 2.667 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884309927 1007366279 /nfs/dbraw/zinc/36/62/79/1007366279.db2.gz JOGSQDGEXPGBQM-SJCJKPOMSA-N 1 0 354.406 2.894 20 10 FFCDRO NC(=O)C1CCN(c2ccc(CNc3cc[nH+]cc3C3CC3)cc2)CC1 ZINC000884693413 1007510164 /nfs/dbraw/zinc/51/01/64/1007510164.db2.gz YVIXTTJMNKKOLN-UHFFFAOYSA-N 1 0 350.466 2.695 20 10 FFCDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000817365222 1007581132 /nfs/dbraw/zinc/58/11/32/1007581132.db2.gz SFWQLRRZKITVFT-PBFPGSCMSA-N 1 0 363.454 2.760 20 10 FFCDRO CC(C)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1CCCC1 ZINC000136026653 1007772786 /nfs/dbraw/zinc/77/27/86/1007772786.db2.gz IUSOZJJPRMWFBL-UHFFFAOYSA-N 1 0 359.514 2.698 20 10 FFCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817898001 1007804787 /nfs/dbraw/zinc/80/47/87/1007804787.db2.gz YKMKQYYHNPQAII-WOJBJXKFSA-N 1 0 359.514 2.839 20 10 FFCDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817938569 1007816022 /nfs/dbraw/zinc/81/60/22/1007816022.db2.gz NJFXKAQPJDRUOX-OXJNMPFZSA-N 1 0 354.498 2.784 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1OC ZINC000885937994 1007843263 /nfs/dbraw/zinc/84/32/63/1007843263.db2.gz OQCWDPQERGCMGT-UHFFFAOYSA-N 1 0 360.429 2.969 20 10 FFCDRO COC(=O)c1cnc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000818231271 1007889401 /nfs/dbraw/zinc/88/94/01/1007889401.db2.gz JKLPHOFTNMBPOY-AWEZNQCLSA-N 1 0 374.510 2.532 20 10 FFCDRO COC(=O)c1cnc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000818231272 1007889478 /nfs/dbraw/zinc/88/94/78/1007889478.db2.gz JKLPHOFTNMBPOY-CQSZACIVSA-N 1 0 374.510 2.532 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1 ZINC000818233955 1007889739 /nfs/dbraw/zinc/88/97/39/1007889739.db2.gz RFWAAJYYANEPDB-HXUWFJFHSA-N 1 0 365.477 2.950 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)n1 ZINC000856594495 1007904850 /nfs/dbraw/zinc/90/48/50/1007904850.db2.gz GLCQTWPAOPJIGL-JKTFDMFLSA-N 1 0 370.497 2.781 20 10 FFCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000114542520 1007951896 /nfs/dbraw/zinc/95/18/96/1007951896.db2.gz DLILUWBJTWZLPX-KRWDZBQOSA-N 1 0 354.450 2.929 20 10 FFCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966815 1007981377 /nfs/dbraw/zinc/98/13/77/1007981377.db2.gz OMWLGFBQLWATMK-JZXOWHBKSA-N 1 0 368.493 2.705 20 10 FFCDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096174 1008033170 /nfs/dbraw/zinc/03/31/70/1008033170.db2.gz YMDGILQOLAQTEN-JOCHJYFZSA-N 1 0 351.494 2.645 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)CC1 ZINC000858135636 1008308578 /nfs/dbraw/zinc/30/85/78/1008308578.db2.gz ASIHMUUSAQXLQW-UHFFFAOYSA-N 1 0 369.490 2.693 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000773624900 1008520215 /nfs/dbraw/zinc/52/02/15/1008520215.db2.gz LPIDSQNQJLYEGQ-OXJNMPFZSA-N 1 0 374.529 2.756 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)ccc21 ZINC000138005630 1008689541 /nfs/dbraw/zinc/68/95/41/1008689541.db2.gz IVPILVRRBLKSIS-UYAOXDASSA-N 1 0 356.514 2.695 20 10 FFCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)n1 ZINC000886746863 1008856592 /nfs/dbraw/zinc/85/65/92/1008856592.db2.gz DSTOONWKECDVRW-CQSZACIVSA-N 1 0 367.497 2.646 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccc(CO)c1 ZINC000886748979 1008858840 /nfs/dbraw/zinc/85/88/40/1008858840.db2.gz FSZRNCGTGMWHKC-INIZCTEOSA-N 1 0 367.493 2.731 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCCOC1 ZINC000886916068 1008933063 /nfs/dbraw/zinc/93/30/63/1008933063.db2.gz NWFUUIKOVKXDEF-GHTZIAJQSA-N 1 0 362.514 2.833 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)cccc3O)cc2F)CC1 ZINC001136687106 1008968403 /nfs/dbraw/zinc/96/84/03/1008968403.db2.gz ATIPALLFGMFBNA-UHFFFAOYSA-N 1 0 371.456 2.912 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000860612706 1009082661 /nfs/dbraw/zinc/08/26/61/1009082661.db2.gz IGZSKHHWPTWHJE-UHFFFAOYSA-N 1 0 351.450 2.898 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000823575747 1009116081 /nfs/dbraw/zinc/11/60/81/1009116081.db2.gz ACTNIITXTCRFCE-JXFKEZNVSA-N 1 0 357.450 2.922 20 10 FFCDRO CCOC(=O)CN(CCC(=O)N(C)c1ccccc1)Cc1ccccc1O ZINC000823575775 1009117017 /nfs/dbraw/zinc/11/70/17/1009117017.db2.gz BNDORMCAOOCUBR-UHFFFAOYSA-N 1 0 370.449 2.810 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC000861914602 1009618525 /nfs/dbraw/zinc/61/85/25/1009618525.db2.gz UGOYHOOXDOZWJX-PMOLBWCYSA-N 1 0 351.450 2.539 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000777246502 1009794129 /nfs/dbraw/zinc/79/41/29/1009794129.db2.gz YFLLABYSILASMO-UTKZUKDTSA-N 1 0 369.509 2.777 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1c1ccc(O)cc1 ZINC000862496828 1009858433 /nfs/dbraw/zinc/85/84/33/1009858433.db2.gz HAVGTOVNMZXUBK-ZWKOTPCHSA-N 1 0 372.440 2.986 20 10 FFCDRO C[C@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889661410 1010044825 /nfs/dbraw/zinc/04/48/25/1010044825.db2.gz ZSHMFOVFPKMUGK-HNNXBMFYSA-N 1 0 366.456 2.768 20 10 FFCDRO CO[C@@]1(C)CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889665805 1010046371 /nfs/dbraw/zinc/04/63/71/1010046371.db2.gz YHYUQBNLMGGODJ-NRFANRHFSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cnn(C)c3C)C[C@H]2C)cc1C ZINC001093637879 1010402676 /nfs/dbraw/zinc/40/26/76/1010402676.db2.gz ZAOWDXJEJRJSJP-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@H]2C)cc1C ZINC001093719327 1010497831 /nfs/dbraw/zinc/49/78/31/1010497831.db2.gz AGUTZPAQVOEQGK-POAQFYNOSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3cnc(C)o3)C[C@H]2C)cc1C ZINC001093821244 1010592308 /nfs/dbraw/zinc/59/23/08/1010592308.db2.gz YOICWEKNTUXHAM-CRAIPNDOSA-N 1 0 371.481 2.727 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c1 ZINC000865776532 1010859784 /nfs/dbraw/zinc/85/97/84/1010859784.db2.gz ZSQUJJGUGUMTDW-UHFFFAOYSA-N 1 0 364.486 2.687 20 10 FFCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000866237815 1010959105 /nfs/dbraw/zinc/95/91/05/1010959105.db2.gz KDURELSMIRHCTQ-XLIONFOSSA-N 1 0 366.509 2.894 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Cl)cc1O ZINC000866524644 1011010489 /nfs/dbraw/zinc/01/04/89/1011010489.db2.gz IRIVJUBTOHXOPD-GFCCVEGCSA-N 1 0 373.840 2.948 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1O ZINC000121893688 1011111924 /nfs/dbraw/zinc/11/19/24/1011111924.db2.gz ZYGLSTRHWLKDOR-UHFFFAOYSA-N 1 0 366.465 2.756 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)C2)cc1 ZINC000868177748 1011190831 /nfs/dbraw/zinc/19/08/31/1011190831.db2.gz FSYZJZWFHJFOJX-FFZOFVMBSA-N 1 0 366.465 2.910 20 10 FFCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000122111836 1011245380 /nfs/dbraw/zinc/24/53/80/1011245380.db2.gz UKRDTNHNOVVLMD-AWEZNQCLSA-N 1 0 368.403 2.917 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868710906 1011436025 /nfs/dbraw/zinc/43/60/25/1011436025.db2.gz NRKBBYXNQMRXII-XKGZKEIXSA-N 1 0 358.530 2.728 20 10 FFCDRO C[C@H](NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)c1ccccc1O ZINC001171730988 1011441139 /nfs/dbraw/zinc/44/11/39/1011441139.db2.gz VRCWVLYEWJURCJ-HRAATJIYSA-N 1 0 354.450 2.597 20 10 FFCDRO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275026760 1011826529 /nfs/dbraw/zinc/82/65/29/1011826529.db2.gz AOJNOYPOKUGRHB-OAQYLSRUSA-N 1 0 357.498 2.738 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1=COCCC1 ZINC000122752535 1011910874 /nfs/dbraw/zinc/91/08/74/1011910874.db2.gz KZZRHLDOEZNMQP-UHFFFAOYSA-N 1 0 355.482 2.529 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(=O)C(C)(C)C)C3=O)c1 ZINC001275239016 1012123928 /nfs/dbraw/zinc/12/39/28/1012123928.db2.gz OUZSYNBFQHRRNV-NRFANRHFSA-N 1 0 358.482 2.883 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC(=O)N(C4CCCC4)C3=O)C2)c1 ZINC001275239027 1012124017 /nfs/dbraw/zinc/12/40/17/1012124017.db2.gz PGAXYNOQCUFDLG-OAQYLSRUSA-N 1 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1012617187 /nfs/dbraw/zinc/61/71/87/1012617187.db2.gz ZXZCOARDCFMIBA-UHFFFAOYSA-N 1 0 367.440 2.763 20 10 FFCDRO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000870896765 1012623314 /nfs/dbraw/zinc/62/33/14/1012623314.db2.gz NSBUDPPMSBXENF-QLFBSQMISA-N 1 0 367.440 2.891 20 10 FFCDRO Cc1nc(CN2CC[C@]3(CCC[N@@H+]3Cc3ccc(O)cc3O)C2=O)cs1 ZINC001275672975 1012819373 /nfs/dbraw/zinc/81/93/73/1012819373.db2.gz UELYFHCCFOSWKC-LJQANCHMSA-N 1 0 373.478 2.630 20 10 FFCDRO CC(C)[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](C)[NH3+] ZINC000828359604 1032678420 /nfs/dbraw/zinc/67/84/20/1032678420.db2.gz ZRNNJZXZJSPYRD-CXAGYDPISA-N 1 0 369.456 2.992 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2)C1 ZINC000924727318 1017452169 /nfs/dbraw/zinc/45/21/69/1017452169.db2.gz FBFWAEHOTBYMEI-FPOVZHCZSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924908149 1017542412 /nfs/dbraw/zinc/54/24/12/1017542412.db2.gz UKENPBUYLAVJCB-HIFRSBDPSA-N 1 0 367.440 2.904 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cn(C(C)C)nn3)cc2F)CC1 ZINC000924996163 1017575150 /nfs/dbraw/zinc/57/51/50/1017575150.db2.gz PFVLQQWMJJQGOC-MRXNPFEDSA-N 1 0 374.508 2.991 20 10 FFCDRO CC[C@@H](C)[NH2+][C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccco1 ZINC000925364406 1017720163 /nfs/dbraw/zinc/72/01/63/1017720163.db2.gz RUYVMXIJYNAEOQ-GDBMZVCRSA-N 1 0 371.437 2.879 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(C[NH3+])c3)cc2F)C[C@@H](C)O1 ZINC000827364606 1017781005 /nfs/dbraw/zinc/78/10/05/1017781005.db2.gz JALZHNMQMHTUKZ-HUUCEWRRSA-N 1 0 371.456 2.828 20 10 FFCDRO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926877872 1018277767 /nfs/dbraw/zinc/27/77/67/1018277767.db2.gz OUMQWZTWXMATGC-CYBMUJFWSA-N 1 0 356.470 2.844 20 10 FFCDRO CCOC(=O)[C@@]12CN(Cc3cc(F)c(Cl)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222141111 1032782247 /nfs/dbraw/zinc/78/22/47/1032782247.db2.gz FDWSCWFHKMCPQV-UGSOOPFHSA-N 1 0 370.852 2.549 20 10 FFCDRO O=C(NCc1c(O)cccc1F)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000928712748 1019085814 /nfs/dbraw/zinc/08/58/14/1019085814.db2.gz YTPFACZFVIGUHU-UHFFFAOYSA-N 1 0 372.440 2.666 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@@]23CCC[NH2+]C3)c1O ZINC001222237023 1032842762 /nfs/dbraw/zinc/84/27/62/1032842762.db2.gz DHFPSBRBMWVMEW-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000389270390 1019647325 /nfs/dbraw/zinc/64/73/25/1019647325.db2.gz HOIJLKZVLPUTRC-MRXNPFEDSA-N 1 0 361.486 2.522 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902066522 1019777936 /nfs/dbraw/zinc/77/79/36/1019777936.db2.gz ZMAPBBGIYAOWOR-QUCCMNQESA-N 1 0 359.514 2.948 20 10 FFCDRO CC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000930784589 1020180878 /nfs/dbraw/zinc/18/08/78/1020180878.db2.gz GWOVNCJASBXUGL-SFHVURJKSA-N 1 0 369.469 2.775 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN1CCO[C@H](C)C1 ZINC000725718032 1020248251 /nfs/dbraw/zinc/24/82/51/1020248251.db2.gz UILKSDXKOFNBTM-GOSISDBHSA-N 1 0 355.482 2.853 20 10 FFCDRO C[C@@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CCC1 ZINC000900185583 1020250288 /nfs/dbraw/zinc/25/02/88/1020250288.db2.gz OVUXNXDEYJBIRE-KDOFPFPSSA-N 1 0 358.486 2.561 20 10 FFCDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000725841344 1020269364 /nfs/dbraw/zinc/26/93/64/1020269364.db2.gz AMACNSYGJRNYBN-KRWDZBQOSA-N 1 0 370.449 2.690 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 ZINC000725853283 1020269373 /nfs/dbraw/zinc/26/93/73/1020269373.db2.gz OAVMBKHSNRHGQC-HNNXBMFYSA-N 1 0 356.422 2.695 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000397772000 1020292829 /nfs/dbraw/zinc/29/28/29/1020292829.db2.gz MBLXTZYGBFWQTB-HOTGVXAUSA-N 1 0 364.442 2.902 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC001222360303 1032911420 /nfs/dbraw/zinc/91/14/20/1032911420.db2.gz MRQSLASYXRACJB-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)c4c3c(O)ccc4C)C2=O)n(C)n1 ZINC001116588371 1021295968 /nfs/dbraw/zinc/29/59/68/1021295968.db2.gz DHUSKTLBWSLKAP-VHDGCEQUSA-N 1 0 354.454 2.686 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CSC4(C[NH2+]C4)C3)cccc21 ZINC001218104579 1032995269 /nfs/dbraw/zinc/99/52/69/1032995269.db2.gz VJBKJZTXCCHOGB-LBPRGKRZSA-N 1 0 351.427 2.688 20 10 FFCDRO COc1ccc(C[C@H](C)[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001117934734 1021976727 /nfs/dbraw/zinc/97/67/27/1021976727.db2.gz TVILRJUNRQVJPE-KRWDZBQOSA-N 1 0 369.509 2.940 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)C[NH2+]C ZINC001118032855 1022033854 /nfs/dbraw/zinc/03/38/54/1022033854.db2.gz YKBYIDGJTBHSBZ-NSHDSACASA-N 1 0 358.280 2.542 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000155542776 1022265080 /nfs/dbraw/zinc/26/50/80/1022265080.db2.gz KBIZAMYANMNHRS-UHFFFAOYSA-N 1 0 367.493 2.857 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000155719880 1022281061 /nfs/dbraw/zinc/28/10/61/1022281061.db2.gz RBJTZLUFRBMFAU-UHFFFAOYSA-N 1 0 354.498 2.833 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1Cl ZINC001118640636 1022332401 /nfs/dbraw/zinc/33/24/01/1022332401.db2.gz MCXVVYXQIOUCMW-INIZCTEOSA-N 1 0 355.862 2.859 20 10 FFCDRO COc1cc(O[C@H]2CCC[NH2+]C2)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O ZINC001218284423 1033086396 /nfs/dbraw/zinc/08/63/96/1033086396.db2.gz XXVJEFFQFQQVTP-LBPRGKRZSA-N 1 0 367.401 2.615 20 10 FFCDRO CC(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001276780118 1033089464 /nfs/dbraw/zinc/08/94/64/1033089464.db2.gz JVXOKPFGYKIWEW-UHFFFAOYSA-N 1 0 362.470 2.664 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000075860010 1023167508 /nfs/dbraw/zinc/16/75/08/1023167508.db2.gz GRUYVTPBLWEIMP-FQEVSTJZSA-N 1 0 360.546 2.517 20 10 FFCDRO CC[C@@H](C)C[N@H+](CC)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754052713 1023420371 /nfs/dbraw/zinc/42/03/71/1023420371.db2.gz YCEGPXWIVDFLGC-QUCCMNQESA-N 1 0 363.546 2.546 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000755996576 1023657315 /nfs/dbraw/zinc/65/73/15/1023657315.db2.gz RWQXWNSKNFKPTR-SFHVURJKSA-N 1 0 355.457 2.997 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CCC3(F)F)ccc(O)c21 ZINC001218446259 1033158478 /nfs/dbraw/zinc/15/84/78/1033158478.db2.gz CIGFFJMUWUVLCM-CQSZACIVSA-N 1 0 359.328 2.544 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c(O)c1C ZINC000756460176 1023714118 /nfs/dbraw/zinc/71/41/18/1023714118.db2.gz OZXAAFOLCRINFF-HUUCEWRRSA-N 1 0 359.422 2.828 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000756776716 1023754105 /nfs/dbraw/zinc/75/41/05/1023754105.db2.gz CURVDEHVJWJOAT-GFCCVEGCSA-N 1 0 364.442 2.696 20 10 FFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000757793714 1023861491 /nfs/dbraw/zinc/86/14/91/1023861491.db2.gz AXOWRAIALRIWNC-MGPUTAFESA-N 1 0 356.514 2.909 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]13)C(=O)c1ccccc1C2=O ZINC001218462813 1033168697 /nfs/dbraw/zinc/16/86/97/1033168697.db2.gz XWYOBTSULZLHBQ-CSMYWGQOSA-N 1 0 363.413 2.847 20 10 FFCDRO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000078680591 1023922136 /nfs/dbraw/zinc/92/21/36/1023922136.db2.gz XIWGXKKTVNTTGD-LMMKCTJWSA-N 1 0 360.498 2.878 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccc(F)cc1 ZINC000758522264 1024154043 /nfs/dbraw/zinc/15/40/43/1024154043.db2.gz KBBPZLSZFJGYAU-FCHUYYIVSA-N 1 0 370.468 2.918 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000079180997 1024208043 /nfs/dbraw/zinc/20/80/43/1024208043.db2.gz SVBRFZFBCMYEPF-UHFFFAOYSA-N 1 0 357.454 2.674 20 10 FFCDRO Cc1cc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)C2)ncn1 ZINC001141145382 1025521666 /nfs/dbraw/zinc/52/16/66/1025521666.db2.gz BFKZQFYPKPDZJF-KRWDZBQOSA-N 1 0 354.454 2.657 20 10 FFCDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)ccn1 ZINC001141146184 1025523028 /nfs/dbraw/zinc/52/30/28/1025523028.db2.gz NPWXTSWCMPOIBD-KRWDZBQOSA-N 1 0 355.438 2.572 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000838772132 1026501644 /nfs/dbraw/zinc/50/16/44/1026501644.db2.gz PCRNLODFWGKVSU-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc3c[nH]nc3c2)cc(F)c1N1CCOCC1 ZINC000839146294 1026606176 /nfs/dbraw/zinc/60/61/76/1026606176.db2.gz BOBIAYUXPORDPX-UHFFFAOYSA-N 1 0 358.392 2.968 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1 ZINC000839176294 1026612652 /nfs/dbraw/zinc/61/26/52/1026612652.db2.gz UFKGQWLHFHBAKH-ZMBJWTFHSA-N 1 0 360.498 2.771 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000839494461 1026700615 /nfs/dbraw/zinc/70/06/15/1026700615.db2.gz LXUMRPCRJNQRCZ-NRSPTQNISA-N 1 0 373.541 2.894 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(O)cc1C ZINC000840128152 1026971266 /nfs/dbraw/zinc/97/12/66/1026971266.db2.gz RTYJLYIBFZIJNA-TZMCWYRMSA-N 1 0 372.387 2.552 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840477879 1027087958 /nfs/dbraw/zinc/08/79/58/1027087958.db2.gz AWKZUNNGYCKZST-ZWKOTPCHSA-N 1 0 360.546 2.975 20 10 FFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(OC)c3O)[C@@H](C)C2)cc1 ZINC000092659840 1027394242 /nfs/dbraw/zinc/39/42/42/1027394242.db2.gz MUYTZPBRQOKIRA-HNNXBMFYSA-N 1 0 370.449 2.898 20 10 FFCDRO COc1ccc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nn1 ZINC001160616084 1027778264 /nfs/dbraw/zinc/77/82/64/1027778264.db2.gz CINBOBAWHDSMFQ-RTBURBONSA-N 1 0 352.394 2.750 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001161134776 1028030515 /nfs/dbraw/zinc/03/05/15/1028030515.db2.gz NGUZHADPYQUIID-NQIIRXRSSA-N 1 0 359.514 2.650 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3F)CC1)[C@H](O)CO2 ZINC000795728677 1028062383 /nfs/dbraw/zinc/06/23/83/1028062383.db2.gz QFZBJFHUDBCIGL-LJQANCHMSA-N 1 0 358.413 2.669 20 10 FFCDRO CNC(=O)c1ccnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001155640845 1028830294 /nfs/dbraw/zinc/83/02/94/1028830294.db2.gz OQVRPZBFTAQYAK-QEUVDIPISA-N 1 0 366.509 2.841 20 10 FFCDRO [NH3+]CCN(CCO)c1ccc(OCc2ccccc2)cc1OC(F)(F)F ZINC001163836107 1029084194 /nfs/dbraw/zinc/08/41/94/1029084194.db2.gz MPKIRXINSMACBK-UHFFFAOYSA-N 1 0 370.371 2.922 20 10 FFCDRO CCOc1ccc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC001156256484 1029115279 /nfs/dbraw/zinc/11/52/79/1029115279.db2.gz AGOPRBVQGWMANS-UHFFFAOYSA-N 1 0 371.485 2.508 20 10 FFCDRO CCOc1nccc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001156261008 1029116096 /nfs/dbraw/zinc/11/60/96/1029116096.db2.gz PCAOUXJMNCPIPO-UHFFFAOYSA-N 1 0 371.485 2.508 20 10 FFCDRO CCc1ncc(F)c(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001164330388 1029247408 /nfs/dbraw/zinc/24/74/08/1029247408.db2.gz RYSJXQCGBFCFKN-UHFFFAOYSA-N 1 0 373.476 2.811 20 10 FFCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1N1CCCC1 ZINC001156652583 1029288377 /nfs/dbraw/zinc/28/83/77/1029288377.db2.gz YBJYKARMUHRMQM-UHFFFAOYSA-N 1 0 366.513 2.749 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(Cl)nc(Cl)n3)cc2)CC1 ZINC001156655444 1029290494 /nfs/dbraw/zinc/29/04/94/1029290494.db2.gz BKMHKGKVQGJWKN-UHFFFAOYSA-N 1 0 353.257 2.542 20 10 FFCDRO Cc1cnc(NCc2cc(Cl)c3cccnc3c2O)nc1C1C[NH2+]C1 ZINC001157727989 1029651973 /nfs/dbraw/zinc/65/19/73/1029651973.db2.gz VEVGCECYWWBWGN-UHFFFAOYSA-N 1 0 355.829 2.991 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3NC(C)(C)C(=O)N3c3ccccc3)cc2)CC1 ZINC000840824304 1029888802 /nfs/dbraw/zinc/88/88/02/1029888802.db2.gz HMALCYDNVCSEAP-HXUWFJFHSA-N 1 0 364.493 2.852 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000840963013 1029948187 /nfs/dbraw/zinc/94/81/87/1029948187.db2.gz KHFZBOSZBWQVQA-QGZVFWFLSA-N 1 0 362.420 2.667 20 10 FFCDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841023968 1029984511 /nfs/dbraw/zinc/98/45/11/1029984511.db2.gz YTHHFFJQGONULD-UHFFFAOYSA-N 1 0 368.481 2.578 20 10 FFCDRO COc1cc2c(cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1)O[C@H](C)C2 ZINC000841043898 1029998555 /nfs/dbraw/zinc/99/85/55/1029998555.db2.gz RHDSQZCKDQUQRX-KUHUBIRLSA-N 1 0 355.482 2.874 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000841045746 1029999385 /nfs/dbraw/zinc/99/93/85/1029999385.db2.gz PEVJPRMUILNSCU-LJQANCHMSA-N 1 0 360.546 2.769 20 10 FFCDRO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841044324 1029999876 /nfs/dbraw/zinc/99/98/76/1029999876.db2.gz VXTGAMQPBUAVOR-HXUWFJFHSA-N 1 0 365.481 2.941 20 10 FFCDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000841045744 1029999947 /nfs/dbraw/zinc/99/99/47/1029999947.db2.gz PERPRCRHGIWCQA-KXBFYZLASA-N 1 0 357.498 2.990 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841051182 1030006129 /nfs/dbraw/zinc/00/61/29/1030006129.db2.gz UZOZZXSYTBPXKV-CYBMUJFWSA-N 1 0 367.449 2.546 20 10 FFCDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1)CC(C)C ZINC000841078146 1030021198 /nfs/dbraw/zinc/02/11/98/1030021198.db2.gz DXOVEAMWCFHKJD-UHFFFAOYSA-N 1 0 374.529 2.814 20 10 FFCDRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000841162101 1030082673 /nfs/dbraw/zinc/08/26/73/1030082673.db2.gz CYZBYHSXSAAPQX-AWEZNQCLSA-N 1 0 351.410 2.848 20 10 FFCDRO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(N(C)C)cc1 ZINC000841321844 1030193026 /nfs/dbraw/zinc/19/30/26/1030193026.db2.gz MHRPBBBMLYZVDH-BBRMVZONSA-N 1 0 353.470 2.846 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)cc1F ZINC000841332050 1030202895 /nfs/dbraw/zinc/20/28/95/1030202895.db2.gz ORTXFAYSTIVOIH-UHFFFAOYSA-N 1 0 370.428 2.792 20 10 FFCDRO COCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001112232252 1030282288 /nfs/dbraw/zinc/28/22/88/1030282288.db2.gz LFHOPBJXJQIKEE-RXVVDRJESA-N 1 0 360.498 2.758 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000841762111 1030449276 /nfs/dbraw/zinc/44/92/76/1030449276.db2.gz VBERFPGWFXEPTF-IRXDYDNUSA-N 1 0 362.493 2.813 20 10 FFCDRO CN(C)C(=O)c1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000841830743 1030491922 /nfs/dbraw/zinc/49/19/22/1030491922.db2.gz ZWZQDTBMLGQYLV-UHFFFAOYSA-N 1 0 367.493 2.857 20 10 FFCDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843951 1030499196 /nfs/dbraw/zinc/49/91/96/1030499196.db2.gz QMXVAPZHNWVTMM-ZIAGYGMSSA-N 1 0 370.444 2.554 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1Cn1cccn1 ZINC001203352128 1030678557 /nfs/dbraw/zinc/67/85/57/1030678557.db2.gz QRKGBCWGRLCNHE-LJQANCHMSA-N 1 0 362.433 2.593 20 10 FFCDRO O=C(NCc1ccco1)[C@@H]1CO[C@@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552293 1030762635 /nfs/dbraw/zinc/76/26/35/1030762635.db2.gz IBTJNWJPIFBCFG-ABSDTBQOSA-N 1 0 370.449 2.529 20 10 FFCDRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203552635 1030763363 /nfs/dbraw/zinc/76/33/63/1030763363.db2.gz PGHHCGICKSRTCZ-UHFFFAOYSA-N 1 0 357.479 2.977 20 10 FFCDRO COCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001203561377 1030767063 /nfs/dbraw/zinc/76/70/63/1030767063.db2.gz TVPBWOODGMQPID-MRXNPFEDSA-N 1 0 350.459 2.850 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3OC)CC2)c1O ZINC001203601842 1030781138 /nfs/dbraw/zinc/78/11/38/1030781138.db2.gz NJAZEYCRMROIKA-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1O ZINC001203608678 1030783491 /nfs/dbraw/zinc/78/34/91/1030783491.db2.gz ZEAYNANXBSVXRN-HOTGVXAUSA-N 1 0 359.495 2.811 20 10 FFCDRO CCOC[C@H]1CN(Cc2cccc(OCC)c2O)Cc2nnn(CC)c21 ZINC001203608336 1030784553 /nfs/dbraw/zinc/78/45/53/1030784553.db2.gz MGABILLXZLQVMV-OAHLLOKOSA-N 1 0 360.458 2.538 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(Br)ccc3O)C[C@@H]2C)C1=O ZINC001203640122 1030801823 /nfs/dbraw/zinc/80/18/23/1030801823.db2.gz SGRFRYFCAZAOCE-SJCJKPOMSA-N 1 0 367.287 2.845 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203675347 1030822634 /nfs/dbraw/zinc/82/26/34/1030822634.db2.gz VORIMICEZXIYMH-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC001203680125 1030823814 /nfs/dbraw/zinc/82/38/14/1030823814.db2.gz GAHUNSNZYRBQOT-UHFFFAOYSA-N 1 0 356.422 2.510 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H](Cc2ccc(F)cc2C)C(=O)NC)c1O ZINC000842723240 1030925925 /nfs/dbraw/zinc/92/59/25/1030925925.db2.gz VWYIBMURVIMXIW-KRWDZBQOSA-N 1 0 374.456 2.933 20 10 FFCDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203877065 1030950657 /nfs/dbraw/zinc/95/06/57/1030950657.db2.gz CBVIAJZTTHZCAO-UHFFFAOYSA-N 1 0 356.422 2.819 20 10 FFCDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001203931613 1030989717 /nfs/dbraw/zinc/98/97/17/1030989717.db2.gz KCPBLWKKBSFOFZ-UNMCSNQZSA-N 1 0 357.542 2.933 20 10 FFCDRO CN(C)c1ccc(CN2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001203930729 1030990358 /nfs/dbraw/zinc/99/03/58/1030990358.db2.gz GGSQZNLGGOHJMF-HDICACEKSA-N 1 0 361.486 2.573 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cc1 ZINC001203932939 1030993302 /nfs/dbraw/zinc/99/33/02/1030993302.db2.gz DUQQQFICYYCVKF-JOCHJYFZSA-N 1 0 364.493 2.772 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)cc1 ZINC001203939666 1030996835 /nfs/dbraw/zinc/99/68/35/1030996835.db2.gz QLRZVMADSVKAEF-YLJYHZDGSA-N 1 0 356.470 2.624 20 10 FFCDRO CS(=O)(=O)c1ccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204283037 1031209244 /nfs/dbraw/zinc/20/92/44/1031209244.db2.gz XDDKCMVALBJICA-UHFFFAOYSA-N 1 0 361.463 2.881 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329269 1031229280 /nfs/dbraw/zinc/22/92/80/1031229280.db2.gz JMDQMQZYHJQZNB-GOSISDBHSA-N 1 0 354.454 2.739 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)OC(=O)c2ccccc23)cc(O)c1O ZINC001204345226 1031240438 /nfs/dbraw/zinc/24/04/38/1031240438.db2.gz PEIXVOFZWTXIMF-UHFFFAOYSA-N 1 0 355.390 2.768 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204346682 1031243652 /nfs/dbraw/zinc/24/36/52/1031243652.db2.gz VQBJKZBZBYLUSV-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)cc(O)c1O ZINC001204348122 1031245717 /nfs/dbraw/zinc/24/57/17/1031245717.db2.gz HWTSPVQPSVHZET-INIZCTEOSA-N 1 0 363.454 2.657 20 10 FFCDRO Cc1ccc(OCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000843299658 1031297429 /nfs/dbraw/zinc/29/74/29/1031297429.db2.gz VPYIWBBLVSULMZ-IBGZPJMESA-N 1 0 355.482 2.955 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@]1(O)CCc2ccccc21 ZINC000843422534 1031396932 /nfs/dbraw/zinc/39/69/32/1031396932.db2.gz XVGWZHOBNHVUNI-QFIPXVFZSA-N 1 0 352.478 2.789 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3CN([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC001205252636 1031629416 /nfs/dbraw/zinc/62/94/16/1031629416.db2.gz VWJOLLBFTCCFAU-LJQANCHMSA-N 1 0 363.465 2.905 20 10 FFCDRO O=C(NCC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1)C(F)(F)F ZINC000799139628 1031664880 /nfs/dbraw/zinc/66/48/80/1031664880.db2.gz RZJLANHDWJIGLI-UHFFFAOYSA-N 1 0 367.371 2.831 20 10 FFCDRO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001219001564 1033453447 /nfs/dbraw/zinc/45/34/47/1033453447.db2.gz AMLJEVJLXZVTCX-OAHLLOKOSA-N 1 0 365.433 2.746 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000830531345 1033659104 /nfs/dbraw/zinc/65/91/04/1033659104.db2.gz HXJCXKBPMVMSIZ-SFHVURJKSA-N 1 0 354.450 2.636 20 10 FFCDRO Cc1c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c2ccccc2n1C ZINC001138256992 1034027158 /nfs/dbraw/zinc/02/71/58/1034027158.db2.gz RKBVQVFQAWEMSW-UHFFFAOYSA-N 1 0 355.482 2.558 20 10 FFCDRO [NH3+][C@H](Cc1ccccc1F)C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212418 1034048920 /nfs/dbraw/zinc/04/89/20/1034048920.db2.gz IVVRRJPIDAUQKF-MRXNPFEDSA-N 1 0 373.815 2.919 20 10 FFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001138340595 1034170011 /nfs/dbraw/zinc/17/00/11/1034170011.db2.gz WORXLBARXVSZGI-LESCRADOSA-N 1 0 370.493 2.865 20 10 FFCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340008 1034170363 /nfs/dbraw/zinc/17/03/63/1034170363.db2.gz PPMPLGHZFHNZOM-HNNXBMFYSA-N 1 0 358.482 2.866 20 10 FFCDRO Oc1c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339784 1034170833 /nfs/dbraw/zinc/17/08/33/1034170833.db2.gz JUOBXGZZQMNJSC-CVEARBPZSA-N 1 0 350.409 2.557 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc3c4c(c2O)CCCN4CCC3)CCO1 ZINC001138341138 1034173286 /nfs/dbraw/zinc/17/32/86/1034173286.db2.gz IGTVSDYTGHQMMY-LJQANCHMSA-N 1 0 373.541 2.634 20 10 FFCDRO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3cc(F)cc(C)c3O)CC2)C1=O ZINC001277026965 1034175361 /nfs/dbraw/zinc/17/53/61/1034175361.db2.gz WZLWMIRJIITZKJ-AWEZNQCLSA-N 1 0 362.445 2.632 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](NC(=O)C4CCOCC4)C3)ccc21 ZINC001138359084 1034195209 /nfs/dbraw/zinc/19/52/09/1034195209.db2.gz KDZNBSQLCUGVGA-HXUWFJFHSA-N 1 0 371.525 2.576 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)nc(C)n1 ZINC001138358190 1034195423 /nfs/dbraw/zinc/19/54/23/1034195423.db2.gz PNMFIVURHHRMDP-UHFFFAOYSA-N 1 0 351.498 2.798 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000831753146 1034257601 /nfs/dbraw/zinc/25/76/01/1034257601.db2.gz JKJPWRCJUBESJK-IIBYNOLFSA-N 1 0 365.477 2.525 20 10 FFCDRO CC[C@H](C)N1CC2(CN(Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001277055286 1034311638 /nfs/dbraw/zinc/31/16/38/1034311638.db2.gz RFFFBNFDJAJYJD-HNNXBMFYSA-N 1 0 360.498 2.901 20 10 FFCDRO c1ccc2c(c1)CCN1CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138499217 1034341403 /nfs/dbraw/zinc/34/14/03/1034341403.db2.gz DTXSKPIKFHKZHA-QHCPKHFHSA-N 1 0 363.505 2.938 20 10 FFCDRO Cc1cncnc1O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138500213 1034342892 /nfs/dbraw/zinc/34/28/92/1034342892.db2.gz TWHKRHNKDXYFQR-FQEVSTJZSA-N 1 0 368.481 2.665 20 10 FFCDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675669 1034535397 /nfs/dbraw/zinc/53/53/97/1034535397.db2.gz GQSWPQSDTLIXFG-HNNXBMFYSA-N 1 0 369.303 2.633 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)C1CCOCC1 ZINC001138675631 1034535517 /nfs/dbraw/zinc/53/55/17/1034535517.db2.gz DWZGSDIZHUHDRD-UHFFFAOYSA-N 1 0 369.303 2.897 20 10 FFCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138676562 1034536966 /nfs/dbraw/zinc/53/69/66/1034536966.db2.gz NULQIGXEAPZQRK-CQSZACIVSA-N 1 0 355.276 2.506 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000832273568 1034693736 /nfs/dbraw/zinc/69/37/36/1034693736.db2.gz OTMPAECTTGMCST-RTBURBONSA-N 1 0 374.916 2.825 20 10 FFCDRO Oc1c(O)c(O)c(O[C@H]2CCN(Cc3ccccc3Cl)C2)c(O)c1O ZINC001226468969 1034698687 /nfs/dbraw/zinc/69/86/87/1034698687.db2.gz QKOBTKUTVYCGBA-JTQLQIEISA-N 1 0 367.785 2.521 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226468893 1034699151 /nfs/dbraw/zinc/69/91/51/1034699151.db2.gz QEXRXVNZBVJBAO-AAEUAGOBSA-N 1 0 361.394 2.504 20 10 FFCDRO CCOc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OCC ZINC000832292298 1034705647 /nfs/dbraw/zinc/70/56/47/1034705647.db2.gz FHWKKNDAYBTAIK-SFHVURJKSA-N 1 0 371.481 2.980 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@]3(C)CC3(C)C)cc2F)CC1 ZINC001226826370 1034855667 /nfs/dbraw/zinc/85/56/67/1034855667.db2.gz VSNOFJOCBMNEKP-FQEVSTJZSA-N 1 0 362.493 2.955 20 10 FFCDRO COc1cc(CN2CCN(C)c3nc(C)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139255188 1035030751 /nfs/dbraw/zinc/03/07/51/1035030751.db2.gz NORQMHGKAAOGED-UHFFFAOYSA-N 1 0 370.497 2.618 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)ccc1N(C)C ZINC001139671680 1035194051 /nfs/dbraw/zinc/19/40/51/1035194051.db2.gz NSKYWEYFYZXART-ZVDOUQERSA-N 1 0 371.525 2.567 20 10 FFCDRO O=C1NCCCC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140101075 1035341808 /nfs/dbraw/zinc/34/18/08/1035341808.db2.gz JDZBYWUZPVVYDX-UHFFFAOYSA-N 1 0 353.260 2.647 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)c1O ZINC001140180466 1035369969 /nfs/dbraw/zinc/36/99/69/1035369969.db2.gz XDDXJGJXIJUCBM-YVWKXTFCSA-N 1 0 369.465 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1038360980 /nfs/dbraw/zinc/36/09/80/1038360980.db2.gz AYHIITJQBOPPCL-HDICACEKSA-N 1 0 363.933 2.950 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)[C@@H]4CCCC[C@H]43)c(F)c2)CC1 ZINC001236933414 1038365319 /nfs/dbraw/zinc/36/53/19/1038365319.db2.gz WQINNLUOJRYNJN-UYAOXDASSA-N 1 0 359.489 2.911 20 10 FFCDRO Cc1cnc2c(c1)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)CC2 ZINC001236945747 1038373322 /nfs/dbraw/zinc/37/33/22/1038373322.db2.gz MBOXCPFUQUJUTK-UHFFFAOYSA-N 1 0 354.473 2.839 20 10 FFCDRO COCCCN(Cc1cc(C)c(Br)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236949967 1038375578 /nfs/dbraw/zinc/37/55/78/1038375578.db2.gz JOZJRISBDOSWEK-CQSZACIVSA-N 1 0 357.292 2.664 20 10 FFCDRO Cc1cc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c(O)cc1Br ZINC001236980461 1038393956 /nfs/dbraw/zinc/39/39/56/1038393956.db2.gz IXCAADPDIAFPEB-GFCCVEGCSA-N 1 0 353.182 2.799 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(c3ccccc3C(=O)OC)CC2)c(O)c1 ZINC001237042796 1038420097 /nfs/dbraw/zinc/42/00/97/1038420097.db2.gz INGZHZQUJNEAPQ-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001237048875 1038423406 /nfs/dbraw/zinc/42/34/06/1038423406.db2.gz YVXLMCSVQFZJNO-LJQANCHMSA-N 1 0 370.449 2.933 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)CC2)N1 ZINC001237064012 1038430301 /nfs/dbraw/zinc/43/03/01/1038430301.db2.gz XASZMBUFSWVREV-UHFFFAOYSA-N 1 0 358.360 2.578 20 10 FFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237072572 1038435139 /nfs/dbraw/zinc/43/51/39/1038435139.db2.gz IUILAYJOIYKQIY-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO COc1ncnc2c1CC[N@H+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237112469 1038447990 /nfs/dbraw/zinc/44/79/90/1038447990.db2.gz IVVAIQHRHKOJKA-UHFFFAOYSA-N 1 0 369.343 2.690 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237141857 1038454060 /nfs/dbraw/zinc/45/40/60/1038454060.db2.gz GDGKHAIXDZKCRL-HNNXBMFYSA-N 1 0 374.403 2.870 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CN(Cc4ccc[nH]4)C3)CC2)c(O)c1 ZINC001278923493 1038456578 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FFCDRO C[NH+]1CCC(COc2ccccc2NC[C@@H](O)COCc2ccco2)CC1 ZINC001252652362 1039633513 /nfs/dbraw/zinc/63/35/13/1039633513.db2.gz LWLNKLJJCPGCGN-GOSISDBHSA-N 1 0 374.481 2.990 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c(C)c1 ZINC001259104719 1039718474 /nfs/dbraw/zinc/71/84/74/1039718474.db2.gz IYVDPTZIRCIQQL-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)c(C)c1 ZINC001278685906 1039763239 /nfs/dbraw/zinc/76/32/39/1039763239.db2.gz GOTYVPVMHUFMQT-IHWFROFDSA-N 1 0 361.530 2.767 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@]3(O)CCC[NH2+]C3)n2)cc1 ZINC001247780056 1039946399 /nfs/dbraw/zinc/94/63/99/1039946399.db2.gz QXWKBXHBXPOBAF-HXUWFJFHSA-N 1 0 352.438 2.801 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC001253134299 1039997052 /nfs/dbraw/zinc/99/70/52/1039997052.db2.gz PRXGLFSOVOQAJR-HBFSDRIKSA-N 1 0 356.514 2.674 20 10 FFCDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(CC(=O)OC)cc1O ZINC001249217352 1040631530 /nfs/dbraw/zinc/63/15/30/1040631530.db2.gz NNOUHBRDYQDLFY-UHFFFAOYSA-N 1 0 357.406 2.859 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccc(O)cc1O)CS2 ZINC001254684987 1040880596 /nfs/dbraw/zinc/88/05/96/1040880596.db2.gz GKDUQABRADNLAM-CYBMUJFWSA-N 1 0 366.483 2.682 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001249731603 1040968249 /nfs/dbraw/zinc/96/82/49/1040968249.db2.gz VQIZOIHRPCFIAL-BHYGNILZSA-N 1 0 351.418 2.904 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCC(O)(CC)CC2)c(O)c1 ZINC001249738702 1040972099 /nfs/dbraw/zinc/97/20/99/1040972099.db2.gz XKBPEQAOJPZMHN-UHFFFAOYSA-N 1 0 365.470 2.851 20 10 FFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261182127 1041052638 /nfs/dbraw/zinc/05/26/38/1041052638.db2.gz KKHJKDCSXKZSDN-MJGOQNOKSA-N 1 0 360.521 2.636 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CCC(=O)N3)CC2)c(O)cc1Br ZINC001250135900 1041126975 /nfs/dbraw/zinc/12/69/75/1041126975.db2.gz JMCAXRVHCKQQOI-UHFFFAOYSA-N 1 0 353.260 2.708 20 10 FFCDRO O=c1cccc(CN2C[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4O)[C@@H]3C2)[nH]1 ZINC001278554406 1041132262 /nfs/dbraw/zinc/13/22/62/1041132262.db2.gz UFKBBOMVZAGIKO-SUMWQHHRSA-N 1 0 359.857 2.853 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)c1O ZINC001278561013 1041175866 /nfs/dbraw/zinc/17/58/66/1041175866.db2.gz QWGTWQHFJICSBZ-IRXDYDNUSA-N 1 0 372.490 2.880 20 10 FFCDRO COc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c(O)c1 ZINC001278576273 1041236813 /nfs/dbraw/zinc/23/68/13/1041236813.db2.gz JQVGUKYRFWVUOP-UHFFFAOYSA-N 1 0 372.490 2.739 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001278605977 1041392694 /nfs/dbraw/zinc/39/26/94/1041392694.db2.gz ORAMWYOBFGJJLP-IBGZPJMESA-N 1 0 353.457 2.520 20 10 FFCDRO COC(C)(C)C[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001276729020 1041879532 /nfs/dbraw/zinc/87/95/32/1041879532.db2.gz OXCGENQYLLBFIA-OAQYLSRUSA-N 1 0 359.514 2.745 20 10 FFCDRO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001263011245 1042031062 /nfs/dbraw/zinc/03/10/62/1042031062.db2.gz WFXNYCYJZMFOPS-IHRRRGAJSA-N 1 0 361.515 2.899 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001263095381 1042099625 /nfs/dbraw/zinc/09/96/25/1042099625.db2.gz KVHDZXIWLCHHPQ-HXUWFJFHSA-N 1 0 371.525 2.699 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])Cc2ccc3cc[nH]c3c2)cc1F ZINC001263098165 1042102277 /nfs/dbraw/zinc/10/22/77/1042102277.db2.gz UUHINVKQNUHUAR-QGZVFWFLSA-N 1 0 354.429 2.559 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001263111301 1042109554 /nfs/dbraw/zinc/10/95/54/1042109554.db2.gz ZAIRDFHMUVRIMR-UHFFFAOYSA-N 1 0 351.454 2.521 20 10 FFCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001263227991 1042184894 /nfs/dbraw/zinc/18/48/94/1042184894.db2.gz GEFQMDHNESMODC-ZGKJJNTQSA-N 1 0 363.461 2.994 20 10 FFCDRO Cc1cncc(/C=C\C(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC001263228884 1042185698 /nfs/dbraw/zinc/18/56/98/1042185698.db2.gz YAHKJKMAQKPBFN-OXUXSNCKSA-N 1 0 363.461 2.912 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001263793170 1042484728 /nfs/dbraw/zinc/48/47/28/1042484728.db2.gz LUAJKQKFHXJJRV-UHFFFAOYSA-N 1 0 367.497 2.958 20 10 FFCDRO O=C(Nc1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001279196895 1042941550 /nfs/dbraw/zinc/94/15/50/1042941550.db2.gz DPRQRWRMNAUVOQ-CALCHBBNSA-N 1 0 356.401 2.807 20 10 FFCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)cc(OC)c1O ZINC001279233594 1042958021 /nfs/dbraw/zinc/95/80/21/1042958021.db2.gz KOBIEECYBKXARF-AGUYFDCRSA-N 1 0 355.276 2.878 20 10 FFCDRO COc1cc(CN2CC3(C2)C[NH+](CCCC(F)(F)F)C3)cc(O)c1O ZINC001279234877 1042958648 /nfs/dbraw/zinc/95/86/48/1042958648.db2.gz WZEMNSCUVRXSHV-UHFFFAOYSA-N 1 0 360.376 2.567 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c1O ZINC001279314930 1042996834 /nfs/dbraw/zinc/99/68/34/1042996834.db2.gz ZRWJDOSAPMKXPQ-UHFFFAOYSA-N 1 0 372.490 2.745 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001279431138 1043105089 /nfs/dbraw/zinc/10/50/89/1043105089.db2.gz ZWFJOMWBJUUAJY-BGYRXZFFSA-N 1 0 359.514 2.589 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279488588 1043173336 /nfs/dbraw/zinc/17/33/36/1043173336.db2.gz KGKRJDWJRCCYGD-LJQANCHMSA-N 1 0 353.457 2.520 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC001237487439 1043201440 /nfs/dbraw/zinc/20/14/40/1043201440.db2.gz ZPMDZUFCIVSTII-NRFANRHFSA-N 1 0 353.466 2.967 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCOC[C@H]2NC(=O)C(C)C)CC1 ZINC001237489498 1043203467 /nfs/dbraw/zinc/20/34/67/1043203467.db2.gz YNRNKXAALYAIAN-LJQANCHMSA-N 1 0 360.498 2.844 20 10 FFCDRO CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001279573069 1043278849 /nfs/dbraw/zinc/27/88/49/1043278849.db2.gz RXEHLFIVOMMWDZ-UHFFFAOYSA-N 1 0 367.877 2.767 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2cc(OC)cc(OC)c2O)CCC[C@]12CCC(=O)N2C ZINC001237674687 1043304068 /nfs/dbraw/zinc/30/40/68/1043304068.db2.gz WDJAWXFCKIJANI-PXNSSMCTSA-N 1 0 362.470 2.775 20 10 FFCDRO COc1cc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(O)c(OC)c1 ZINC001237677430 1043305357 /nfs/dbraw/zinc/30/53/57/1043305357.db2.gz BKBKZCNIGXQWHB-LJQANCHMSA-N 1 0 354.450 2.824 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CCCNC3=O)CC2)cc1Br ZINC001237679249 1043307985 /nfs/dbraw/zinc/30/79/85/1043307985.db2.gz OHHPKLKFKZMJOG-UHFFFAOYSA-N 1 0 367.287 2.955 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1Br ZINC001237684146 1043310765 /nfs/dbraw/zinc/31/07/65/1043310765.db2.gz HLJPWJITDANJPA-UHFFFAOYSA-N 1 0 367.287 2.907 20 10 FFCDRO C[NH+](C)CC1CC[NH+](Cc2cccc(I)c2[O-])CC1 ZINC001237780847 1043352961 /nfs/dbraw/zinc/35/29/61/1043352961.db2.gz YLQJQKXLFFQUKY-UHFFFAOYSA-N 1 0 374.266 2.770 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O ZINC001238057129 1043506211 /nfs/dbraw/zinc/50/62/11/1043506211.db2.gz ISGNUVZBVCKMBL-UHFFFAOYSA-N 1 0 358.413 2.886 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2cn[nH]c2)cc1 ZINC001279744132 1043574155 /nfs/dbraw/zinc/57/41/55/1043574155.db2.gz QGXILQRSXJVCPT-LVFSCSRESA-N 1 0 353.470 2.619 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NC(C)(C)C)cc1 ZINC001279744964 1043575412 /nfs/dbraw/zinc/57/54/12/1043575412.db2.gz ZJZMMHZYTSFFDJ-SFHVURJKSA-N 1 0 359.514 2.506 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238918490 1043951243 /nfs/dbraw/zinc/95/12/43/1043951243.db2.gz DJENIVYJTKPDFU-SFHVURJKSA-N 1 0 366.527 2.551 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)NCC(F)F)C2)c1O ZINC001279978212 1044024294 /nfs/dbraw/zinc/02/42/94/1044024294.db2.gz YVJKBYDNHVZEFT-IFXJQAMLSA-N 1 0 368.424 2.774 20 10 FFCDRO CC(C)(C)NC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001279981478 1044030178 /nfs/dbraw/zinc/03/01/78/1044030178.db2.gz AZWGNDCYCKFYIT-HNNXBMFYSA-N 1 0 366.889 2.799 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCO3)CC2)c1 ZINC001279985974 1044039393 /nfs/dbraw/zinc/03/93/93/1044039393.db2.gz MIRRTSNADFRVOM-QGZVFWFLSA-N 1 0 360.454 2.557 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C2CC(F)(F)C2)c1 ZINC001279985862 1044040934 /nfs/dbraw/zinc/04/09/34/1044040934.db2.gz IALJEMJFJDIJQL-ORAYPTAESA-N 1 0 366.408 2.621 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c1 ZINC001279986850 1044042707 /nfs/dbraw/zinc/04/27/07/1044042707.db2.gz YNQURRRIXPJMMT-VMBOVVBDSA-N 1 0 362.445 2.620 20 10 FFCDRO Cc1ccc(CNC(=S)NCc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001239368817 1044105733 /nfs/dbraw/zinc/10/57/33/1044105733.db2.gz KFZDWSLHAGSTPY-UHFFFAOYSA-N 1 0 354.523 2.569 20 10 FFCDRO COC[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001313335272 1044320804 /nfs/dbraw/zinc/32/08/04/1044320804.db2.gz LZLXVBGMQHYJIK-PKOBYXMFSA-N 1 0 364.534 2.573 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCOC23CCCC3)[NH+](C)C)cc1 ZINC001313394226 1044344417 /nfs/dbraw/zinc/34/44/17/1044344417.db2.gz KXJZUKNXOYQFEK-RBUKOAKNSA-N 1 0 374.529 2.756 20 10 FFCDRO CC(C)(C)NC(=O)[C@H]1CCSC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001280293582 1044561471 /nfs/dbraw/zinc/56/14/71/1044561471.db2.gz VYKVTSJHZQAYHX-CQSZACIVSA-N 1 0 352.475 2.754 20 10 FFCDRO CNC(=O)C1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000725849886 1044674199 /nfs/dbraw/zinc/67/41/99/1044674199.db2.gz ZNZQFWPJGZFEFN-UHFFFAOYSA-N 1 0 374.485 2.980 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC001318717848 1044835313 /nfs/dbraw/zinc/83/53/13/1044835313.db2.gz NNIOJACVVNCMFA-FFZOFVMBSA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC001317913566 1045169907 /nfs/dbraw/zinc/16/99/07/1045169907.db2.gz VTMKRCHWEGLDDF-OALUTQOASA-N 1 0 371.525 2.856 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c1 ZINC001319835630 1045282721 /nfs/dbraw/zinc/28/27/21/1045282721.db2.gz DCUIVBIQNSAFOZ-UHFFFAOYSA-N 1 0 368.355 2.939 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)CCc3ccccc3)cc2F)CC1 ZINC001320047056 1045337363 /nfs/dbraw/zinc/33/73/63/1045337363.db2.gz PCPPENKUMSILFC-FQEVSTJZSA-N 1 0 371.500 2.661 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CCO[C@@H]3C3CC3)cc2F)CC1 ZINC001320413567 1045403808 /nfs/dbraw/zinc/40/38/08/1045403808.db2.gz CMGUSLZYRVMVEI-RTWAWAEBSA-N 1 0 361.505 2.872 20 10 FFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001320754265 1045461944 /nfs/dbraw/zinc/46/19/44/1045461944.db2.gz PUINASDZVRTXEU-XBXARRHUSA-N 1 0 367.449 2.810 20 10 FFCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001320793310 1045469273 /nfs/dbraw/zinc/46/92/73/1045469273.db2.gz QVTZTVDKLSIIDS-KRWDZBQOSA-N 1 0 372.488 2.851 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(C)cc1O ZINC001321541383 1045700634 /nfs/dbraw/zinc/70/06/34/1045700634.db2.gz CCLMNLIVRYLIMI-DYESRHJHSA-N 1 0 367.449 2.996 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001539789552 1070698895 /nfs/dbraw/zinc/69/88/95/1070698895.db2.gz ZHLJDJJBOHBGRN-UHFFFAOYSA-N 1 0 366.461 2.690 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1O ZINC001327471322 1047911488 /nfs/dbraw/zinc/91/14/88/1047911488.db2.gz SJNSRLYRLWPSGF-JEOXALJRSA-N 1 0 373.840 2.951 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(Cl)cc1O ZINC001327471328 1047912153 /nfs/dbraw/zinc/91/21/53/1047912153.db2.gz SJNSRLYRLWPSGF-WYRIXSBYSA-N 1 0 373.840 2.951 20 10 FFCDRO Cc1c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccc2c[nH+]cn21 ZINC001328432466 1048300869 /nfs/dbraw/zinc/30/08/69/1048300869.db2.gz QIBMKSRBIWMNNN-UHFFFAOYSA-N 1 0 364.449 2.534 20 10 FFCDRO CN1CCN(c2ccc(CN3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC001332340043 1048354339 /nfs/dbraw/zinc/35/43/39/1048354339.db2.gz UYXUBOWWYRWWMT-TZIWHRDSSA-N 1 0 360.521 2.684 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC001329175677 1048605885 /nfs/dbraw/zinc/60/58/85/1048605885.db2.gz ZLHQJKNTDYVNSQ-KFWWJZLASA-N 1 0 364.453 2.555 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001334158650 1049281838 /nfs/dbraw/zinc/28/18/38/1049281838.db2.gz ZNUKFXRCLCYFPE-GVDBMIGSSA-N 1 0 362.493 2.763 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001331273269 1049543214 /nfs/dbraw/zinc/54/32/14/1049543214.db2.gz XDCRHSCAAYGAOT-CVEARBPZSA-N 1 0 369.303 2.888 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC=CO1 ZINC001294860727 1049822501 /nfs/dbraw/zinc/82/25/01/1049822501.db2.gz XKAHOHGTWUSMSM-RDJZCZTQSA-N 1 0 350.846 2.819 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001295275200 1049913135 /nfs/dbraw/zinc/91/31/35/1049913135.db2.gz JUAFWQMNCBKNBQ-SFHVURJKSA-N 1 0 359.514 2.854 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cccn2C)[NH+](C)C)cc1 ZINC001340490998 1050888628 /nfs/dbraw/zinc/88/86/28/1050888628.db2.gz KKNWAMCNEVGXPF-LJQANCHMSA-N 1 0 357.502 2.535 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340881157 1051213598 /nfs/dbraw/zinc/21/35/98/1051213598.db2.gz QZWAMJJZWUWPJL-NSNWQYSKSA-N 1 0 365.424 2.514 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)cs2)cc1 ZINC001341219740 1051579820 /nfs/dbraw/zinc/57/98/20/1051579820.db2.gz NLDUYTQLVKRGFL-IBGZPJMESA-N 1 0 356.495 2.674 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001341344758 1051702938 /nfs/dbraw/zinc/70/29/38/1051702938.db2.gz RXMUJFSFKHQUPL-LVIWNVNYSA-N 1 0 371.525 2.922 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001343391002 1052201570 /nfs/dbraw/zinc/20/15/70/1052201570.db2.gz BXXSARQJDAJLMR-AZUAARDMSA-N 1 0 359.539 2.778 20 10 FFCDRO C[C@H](N)c1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC001343527640 1052284704 /nfs/dbraw/zinc/28/47/04/1052284704.db2.gz URMKCPHWQIPCGB-GXTWGEPZSA-N 1 0 361.467 2.690 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)CCC(C)(C)C)CC2)cc1 ZINC001307875791 1052359112 /nfs/dbraw/zinc/35/91/12/1052359112.db2.gz XOJLFFUMNWLKCO-LJQANCHMSA-N 1 0 363.546 2.546 20 10 FFCDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001308009629 1052382689 /nfs/dbraw/zinc/38/26/89/1052382689.db2.gz BPTOUNUBOJIESF-GFCCVEGCSA-N 1 0 359.382 2.988 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(OC)cc3F)CC2)cc1 ZINC001308234868 1052434763 /nfs/dbraw/zinc/43/47/63/1052434763.db2.gz UJLMENJSCQGPQV-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO COC(=O)C1([C@]2(O)CCC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)CCC1 ZINC001308955781 1052526029 /nfs/dbraw/zinc/52/60/29/1052526029.db2.gz ZVLDBERVYLJKOJ-SNXGKTBFSA-N 1 0 372.509 2.936 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H]4C[C@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001345858488 1052645909 /nfs/dbraw/zinc/64/59/09/1052645909.db2.gz VWPMQZRJTAEEQU-QKLQHJQFSA-N 1 0 371.525 2.901 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCC(F)F)cc2F)CC1 ZINC001335137378 1053231042 /nfs/dbraw/zinc/23/10/42/1053231042.db2.gz JWWNJPNDQRZRLV-UHFFFAOYSA-N 1 0 372.435 2.812 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC001349648270 1055388557 /nfs/dbraw/zinc/38/85/57/1055388557.db2.gz IPRFRBNMOBUIIY-LJQANCHMSA-N 1 0 362.514 2.511 20 10 FFCDRO C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000847532408 1056001925 /nfs/dbraw/zinc/00/19/25/1056001925.db2.gz OKQCBPTUBGTLII-GJZGRUSLSA-N 1 0 367.440 2.715 20 10 FFCDRO Cc1ccc(CNC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001200324387 1056355998 /nfs/dbraw/zinc/35/59/98/1056355998.db2.gz SVWNHPJBCXSNHM-UHFFFAOYSA-N 1 0 368.550 2.911 20 10 FFCDRO CCN(CC)c1ccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)cc1 ZINC000849111142 1056765965 /nfs/dbraw/zinc/76/59/65/1056765965.db2.gz IGCJEDFZWWEINM-UHFFFAOYSA-N 1 0 363.506 2.671 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001444722758 1058327440 /nfs/dbraw/zinc/32/74/40/1058327440.db2.gz RCLPECWJOGKZNK-INIZCTEOSA-N 1 0 367.493 2.907 20 10 FFCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCO1 ZINC001445883386 1058451595 /nfs/dbraw/zinc/45/15/95/1058451595.db2.gz MXUSBXXQEUQYIK-OWQGQXMQSA-N 1 0 366.889 2.941 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001519510746 1058794418 /nfs/dbraw/zinc/79/44/18/1058794418.db2.gz TVEKJRVYQYBAEK-GXTWGEPZSA-N 1 0 359.499 2.702 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(-n3cncn3)c2)cc1Cn1cccn1 ZINC001200654683 1058954076 /nfs/dbraw/zinc/95/40/76/1058954076.db2.gz PAXLUADPXBHFHI-UHFFFAOYSA-N 1 0 374.448 2.811 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)cc1F ZINC001200662183 1058982611 /nfs/dbraw/zinc/98/26/11/1058982611.db2.gz YOALANALVPWBKU-HXUWFJFHSA-N 1 0 371.500 2.925 20 10 FFCDRO C[N@@H+]1CC[C@H]2CN(c3nnc(C4SC=CC4=O)n3CC3CC3)CC[C@@H]21 ZINC001520579939 1059826103 /nfs/dbraw/zinc/82/61/03/1059826103.db2.gz BNWRVIAJOLZPTH-KBPBESRZSA-N 1 0 359.499 2.653 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cncnc3C)CC2)cc1 ZINC000848517299 1060205422 /nfs/dbraw/zinc/20/54/22/1060205422.db2.gz GSPSNHJNEQVGOG-KRWDZBQOSA-N 1 0 369.513 2.657 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC001521409526 1060580531 /nfs/dbraw/zinc/58/05/31/1060580531.db2.gz YVRKWBACZJBVAO-AHRSYUTCSA-N 1 0 357.498 2.655 20 10 FFCDRO [NH3+][C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001521587720 1060993830 /nfs/dbraw/zinc/99/38/30/1060993830.db2.gz KWGOVLZPLDWTLS-IBGZPJMESA-N 1 0 363.461 2.939 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)C1 ZINC001461088675 1061208022 /nfs/dbraw/zinc/20/80/22/1061208022.db2.gz ZLSLHDAESOZEQJ-SFHVURJKSA-N 1 0 363.465 2.554 20 10 FFCDRO O=C(CC[NH2+]Cc1c(O)cccc1Br)Nc1ccccn1 ZINC001461225604 1061258162 /nfs/dbraw/zinc/25/81/62/1061258162.db2.gz SEVMMDGZSVGJPZ-UHFFFAOYSA-N 1 0 350.216 2.668 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCC3(C)CC3)CC2)cc1 ZINC001531524119 1062791484 /nfs/dbraw/zinc/79/14/84/1062791484.db2.gz FUQNOUMOUKKKJS-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO COc1ncccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001465261283 1063031740 /nfs/dbraw/zinc/03/17/40/1063031740.db2.gz ZIIBXPVDPUHZQT-QGZVFWFLSA-N 1 0 357.458 2.581 20 10 FFCDRO CCc1ccc(CN2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC001472613992 1065111158 /nfs/dbraw/zinc/11/11/58/1065111158.db2.gz PDJRNWOVOVFSSA-UHFFFAOYSA-N 1 0 358.413 2.757 20 10 FFCDRO CC(C)OCCn1c([C@@H]2CCC[NH2+]C2)nnc1N(C)Cc1ccccc1O ZINC001575779032 1078167863 /nfs/dbraw/zinc/16/78/63/1078167863.db2.gz MEWWKROISDKYCX-MRXNPFEDSA-N 1 0 373.501 2.512 20 10 FFCDRO CN(C)c1ccc(C[N@@H+](C[C@H](O)CN(C)CC(F)(F)F)C2CC2)cc1 ZINC001473115981 1065202313 /nfs/dbraw/zinc/20/23/13/1065202313.db2.gz UIAOUYHGBGNSJH-QGZVFWFLSA-N 1 0 359.436 2.572 20 10 FFCDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001473724990 1065334166 /nfs/dbraw/zinc/33/41/66/1065334166.db2.gz XQCVHWWQQFQNEI-RYUDHWBXSA-N 1 0 359.382 2.987 20 10 FFCDRO CC(=O)N1CCc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001473945291 1065425300 /nfs/dbraw/zinc/42/53/00/1065425300.db2.gz DAQZQHCYXWAWJM-UHFFFAOYSA-N 1 0 364.493 2.960 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NC)ccc1OC ZINC001474111761 1065458972 /nfs/dbraw/zinc/45/89/72/1065458972.db2.gz IKROKAUGKCOHNM-IBGZPJMESA-N 1 0 356.466 2.679 20 10 FFCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474636717 1065567776 /nfs/dbraw/zinc/56/77/76/1065567776.db2.gz OZBIOAWYHPCPTK-IFMALSPDSA-N 1 0 352.478 2.567 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Cc3c[nH]nn3)C2)c(C(F)(F)F)c1 ZINC001576757914 1078271510 /nfs/dbraw/zinc/27/15/10/1078271510.db2.gz QHHFPGZYOQZPOY-GFCCVEGCSA-N 1 0 353.392 2.954 20 10 FFCDRO CCC[NH2+]CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1O ZINC001577568965 1078377846 /nfs/dbraw/zinc/37/78/46/1078377846.db2.gz YGNXQXWHSWDRPD-GOSISDBHSA-N 1 0 373.501 2.861 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(C(C)C)ccc2O)ccc1-c1nn[nH]n1 ZINC001579929053 1078716946 /nfs/dbraw/zinc/71/69/46/1078716946.db2.gz OFZGXGSRCMEIHY-UHFFFAOYSA-N 1 0 353.426 2.994 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)cc1F ZINC001560415184 1076272076 /nfs/dbraw/zinc/27/20/76/1076272076.db2.gz BYWKJOMSZYBKSN-INIZCTEOSA-N 1 0 352.450 2.684 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1Cn1cccn1 ZINC001560440801 1076273790 /nfs/dbraw/zinc/27/37/90/1076273790.db2.gz GZXNIYRCJOQMFU-OAQYLSRUSA-N 1 0 365.477 2.942 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC001560619174 1076284879 /nfs/dbraw/zinc/28/48/79/1076284879.db2.gz LHOWZTRGZTXQKH-QAQDUYKDSA-N 1 0 361.486 2.669 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]2)c(O)c1 ZINC001560939576 1076312064 /nfs/dbraw/zinc/31/20/64/1076312064.db2.gz LACYPBZLTAWYIV-UHFFFAOYSA-N 1 0 374.441 2.511 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1F ZINC001563811138 1076584492 /nfs/dbraw/zinc/58/44/92/1076584492.db2.gz YPVHWNBLAHWQKJ-UHFFFAOYSA-N 1 0 370.472 2.918 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC001565273151 1076707981 /nfs/dbraw/zinc/70/79/81/1076707981.db2.gz ODIBJUMGLNZKSJ-ICSRJNTNSA-N 1 0 356.514 2.913 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001568185600 1077076973 /nfs/dbraw/zinc/07/69/73/1077076973.db2.gz VZNJFBIOJSLFBH-DJKXOVBDSA-N 1 0 360.498 2.661 20 10 FFCDRO CCOc1nccc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001586061820 1079538614 /nfs/dbraw/zinc/53/86/14/1079538614.db2.gz VYLOVXYCIACOLR-GOSISDBHSA-N 1 0 370.497 2.887 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090852589 507938442 /nfs/dbraw/zinc/93/84/42/507938442.db2.gz XUBCEXDCCHUAPA-HNNXBMFYSA-N 1 0 358.461 2.974 20 10 FFCDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000079459681 507964519 /nfs/dbraw/zinc/96/45/19/507964519.db2.gz YBAIWDYKJNUNMK-LPHOPBHVSA-N 1 0 373.497 2.567 20 10 FFCDRO O=C1CCCCN1CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093532119 508147748 /nfs/dbraw/zinc/14/77/48/508147748.db2.gz BJAVAIKICRHRPL-UHFFFAOYSA-N 1 0 371.525 2.748 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000076836026 508257078 /nfs/dbraw/zinc/25/70/78/508257078.db2.gz VQPQYMBCWJWQGJ-DYLHUKMJSA-N 1 0 359.426 2.846 20 10 FFCDRO O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2ccccc2O)CC1 ZINC000105472833 508373551 /nfs/dbraw/zinc/37/35/51/508373551.db2.gz BFHDCSDJOMNDDG-UHFFFAOYSA-N 1 0 360.479 2.583 20 10 FFCDRO CN(CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(N2CCOCC2)cc1 ZINC000152998203 508538333 /nfs/dbraw/zinc/53/83/33/508538333.db2.gz FLFJDHKGWGMARZ-UHFFFAOYSA-N 1 0 374.872 2.642 20 10 FFCDRO COCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158050893 508649676 /nfs/dbraw/zinc/64/96/76/508649676.db2.gz KBYCMNNGBALSIU-MRXNPFEDSA-N 1 0 354.878 2.943 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000158986820 508777453 /nfs/dbraw/zinc/77/74/53/508777453.db2.gz XCHMEUGJEFPJAB-MRXNPFEDSA-N 1 0 358.413 2.765 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3=C(C)OCCC3)cc2F)CC1 ZINC000132161036 509001291 /nfs/dbraw/zinc/00/12/91/509001291.db2.gz ZSXWQCDZGZOISX-UHFFFAOYSA-N 1 0 361.461 2.668 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132188149 509003934 /nfs/dbraw/zinc/00/39/34/509003934.db2.gz PCJGKJYOGDCWTO-APWZRJJASA-N 1 0 358.457 2.917 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC ZINC000182671797 509363361 /nfs/dbraw/zinc/36/33/61/509363361.db2.gz YHVQJNVSABEIHY-MRXNPFEDSA-N 1 0 370.449 2.548 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1OC ZINC000179436906 509441971 /nfs/dbraw/zinc/44/19/71/509441971.db2.gz JYMFPOMDCAEHOB-UHFFFAOYSA-N 1 0 370.449 2.758 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)cc1OC ZINC000179476266 509466357 /nfs/dbraw/zinc/46/63/57/509466357.db2.gz LDYZAAPHHKDEAE-UHFFFAOYSA-N 1 0 356.422 2.926 20 10 FFCDRO CN(C)C(=O)CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000180333449 509872820 /nfs/dbraw/zinc/87/28/20/509872820.db2.gz WGVKKDRNDNKJNJ-UHFFFAOYSA-N 1 0 355.276 2.845 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC([N@H+](C)CCCO)CC2)c1O ZINC000177182093 509922195 /nfs/dbraw/zinc/92/21/95/509922195.db2.gz WTBKENUBLLEXJP-UHFFFAOYSA-N 1 0 354.878 2.527 20 10 FFCDRO COCCC[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000171123593 509955945 /nfs/dbraw/zinc/95/59/45/509955945.db2.gz DBKNSCJADDFMGU-UHFFFAOYSA-N 1 0 370.497 2.720 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCN1c1nccn2cnnc12 ZINC000269298579 510328806 /nfs/dbraw/zinc/32/88/06/510328806.db2.gz BHNPYQMHRKKGOK-OAHLLOKOSA-N 1 0 374.448 2.694 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccccc3O)CC2)cc(OC)c1OC ZINC000184753338 510499641 /nfs/dbraw/zinc/49/96/41/510499641.db2.gz VIKHDIUYCRHPFC-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO c1ccc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000184808018 510524618 /nfs/dbraw/zinc/52/46/18/510524618.db2.gz VMWNEFWRUKPNKF-UHFFFAOYSA-N 1 0 352.482 2.631 20 10 FFCDRO Cc1cc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000263777353 510836742 /nfs/dbraw/zinc/83/67/42/510836742.db2.gz NZWNYGSAEZOIRL-INIZCTEOSA-N 1 0 372.488 2.599 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000293872286 510881950 /nfs/dbraw/zinc/88/19/50/510881950.db2.gz JAADTKWEUVYYLN-AWEZNQCLSA-N 1 0 352.774 2.786 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278548888 510999213 /nfs/dbraw/zinc/99/92/13/510999213.db2.gz YTBIPGLMQRXLIC-CQSZACIVSA-N 1 0 351.447 2.767 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(O)c1C ZINC000285726866 511013894 /nfs/dbraw/zinc/01/38/94/511013894.db2.gz QNEDDRYWIWRKGR-OOKSDGMUSA-N 1 0 359.514 2.743 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(=O)[nH]n1 ZINC000285935599 511016715 /nfs/dbraw/zinc/01/67/15/511016715.db2.gz FMCCPUKXXPFONF-QWHCGFSZSA-N 1 0 364.396 2.691 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4oc(=O)[nH]c4c3)c2)CC1 ZINC000287046222 511038745 /nfs/dbraw/zinc/03/87/45/511038745.db2.gz MORARTMEKNREGU-UHFFFAOYSA-N 1 0 366.421 2.515 20 10 FFCDRO Cc1cccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1O ZINC000289379692 511099465 /nfs/dbraw/zinc/09/94/65/511099465.db2.gz BSYLVUORQCZMJU-UHFFFAOYSA-N 1 0 355.482 2.820 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@]2(COC)OCCc3ccccc32)c1O ZINC000289943726 511121590 /nfs/dbraw/zinc/12/15/90/511121590.db2.gz UNQFDTUKZFEDLY-NRFANRHFSA-N 1 0 357.450 2.995 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1O ZINC000283169458 511262136 /nfs/dbraw/zinc/26/21/36/511262136.db2.gz YVLLAGKQEAPAMO-YVEFUNNKSA-N 1 0 355.862 2.712 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1O ZINC000365113869 511264293 /nfs/dbraw/zinc/26/42/93/511264293.db2.gz BHEAUWRNOFSJDU-UHFFFAOYSA-N 1 0 366.805 2.996 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1C ZINC000280053267 511319017 /nfs/dbraw/zinc/31/90/17/511319017.db2.gz WFGAQHWCDJQDCV-LKUPVBHCSA-N 1 0 374.525 2.963 20 10 FFCDRO CC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(C)cc1O ZINC000280184481 511368474 /nfs/dbraw/zinc/36/84/74/511368474.db2.gz RWVIIDICNFZHFU-CJNGLKHVSA-N 1 0 357.376 2.925 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298709026 511383680 /nfs/dbraw/zinc/38/36/80/511383680.db2.gz GFKYLBSNNIXWDE-QRVBRYPASA-N 1 0 373.497 2.710 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454164 511526655 /nfs/dbraw/zinc/52/66/55/511526655.db2.gz GTRQYOLDWDGMNW-BXKDBHETSA-N 1 0 361.320 2.504 20 10 FFCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)CC2 ZINC000280848843 511627359 /nfs/dbraw/zinc/62/73/59/511627359.db2.gz LFUJSVRZORDPKX-ZDUSSCGKSA-N 1 0 353.392 2.776 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2F)C[C@H](C)O1 ZINC000273977692 511678274 /nfs/dbraw/zinc/67/82/74/511678274.db2.gz TZOVWEYLBUHGFI-GASCZTMLSA-N 1 0 371.456 2.828 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Nc2ncnc3n[nH]cc32)C1 ZINC000301231948 511691871 /nfs/dbraw/zinc/69/18/71/511691871.db2.gz FVOLKPZRJHYFRM-ZDUSSCGKSA-N 1 0 358.833 2.788 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000292899515 511763752 /nfs/dbraw/zinc/76/37/52/511763752.db2.gz ZSTXFFRBDMSBMQ-LBPRGKRZSA-N 1 0 364.433 2.638 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC(C)(F)F)cc2F)CC1 ZINC000297144429 512036735 /nfs/dbraw/zinc/03/67/35/512036735.db2.gz KABQQEWDFRMOCX-UHFFFAOYSA-N 1 0 372.435 2.812 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1O ZINC000374160531 512684559 /nfs/dbraw/zinc/68/45/59/512684559.db2.gz SGLGROWVALEONH-KZNAEPCWSA-N 1 0 352.434 2.647 20 10 FFCDRO COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000370492389 512962064 /nfs/dbraw/zinc/96/20/64/512962064.db2.gz QGOPADNMYPPOGL-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000368627356 513033689 /nfs/dbraw/zinc/03/36/89/513033689.db2.gz WOWOWCSBLJHEJY-OAHLLOKOSA-N 1 0 359.470 2.996 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418095562 513369661 /nfs/dbraw/zinc/36/96/61/513369661.db2.gz GNANPRCGUBSZIF-UHFFFAOYSA-N 1 0 365.481 2.861 20 10 FFCDRO COCC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435721976 513668327 /nfs/dbraw/zinc/66/83/27/513668327.db2.gz KZFYBOQQRITLRO-INIZCTEOSA-N 1 0 357.498 2.949 20 10 FFCDRO COCC(C)(C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435853894 513699762 /nfs/dbraw/zinc/69/97/62/513699762.db2.gz FCUPZYFLGREMAA-UHFFFAOYSA-N 1 0 357.498 2.949 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCOC2)C1 ZINC000435874968 513704932 /nfs/dbraw/zinc/70/49/32/513704932.db2.gz PMIVRKQAELNPPK-MRXNPFEDSA-N 1 0 355.482 2.655 20 10 FFCDRO COC[C@@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000498830681 515080148 /nfs/dbraw/zinc/08/01/48/515080148.db2.gz QFQKXLFUKBSNQT-INIZCTEOSA-N 1 0 355.482 2.655 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@@H+]1CCOC ZINC000472237993 515181241 /nfs/dbraw/zinc/18/12/41/515181241.db2.gz FHWHOWSOKVBOCJ-KRWDZBQOSA-N 1 0 372.513 2.739 20 10 FFCDRO CO[C@@H](C)CN(C)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000553764185 517890629 /nfs/dbraw/zinc/89/06/29/517890629.db2.gz RROWFNQGPMRSDR-INIZCTEOSA-N 1 0 357.498 2.901 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc2c(cc1O)CCCC2 ZINC000527955525 518010475 /nfs/dbraw/zinc/01/04/75/518010475.db2.gz OLWMMFQXEOENQO-ZHRRBRCNSA-N 1 0 374.525 2.537 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)ccc21 ZINC000578877903 518417653 /nfs/dbraw/zinc/41/76/53/518417653.db2.gz KZZFPNRIQVEBML-KSSFIOAISA-N 1 0 357.498 2.961 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CO[C@H](C)C2)C1 ZINC000566269926 519403678 /nfs/dbraw/zinc/40/36/78/519403678.db2.gz DFTZMZBGXGJDJA-CVEARBPZSA-N 1 0 355.482 2.701 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CO[C@@H](C)C2)C1 ZINC000566269933 519404754 /nfs/dbraw/zinc/40/47/54/519404754.db2.gz DFTZMZBGXGJDJA-JKSUJKDBSA-N 1 0 355.482 2.701 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCOCCF)C1 ZINC000621092244 522613161 /nfs/dbraw/zinc/61/31/61/522613161.db2.gz HXTDINOQCVAXLC-UHFFFAOYSA-N 1 0 361.461 2.510 20 10 FFCDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000153084113 728771987 /nfs/dbraw/zinc/77/19/87/728771987.db2.gz AOAHMFJRGCEPRY-HNNXBMFYSA-N 1 0 362.495 2.886 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000154919293 728815647 /nfs/dbraw/zinc/81/56/47/728815647.db2.gz IRKWBRRBDSMSJL-IBGZPJMESA-N 1 0 367.559 2.998 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159846578 728913400 /nfs/dbraw/zinc/91/34/00/728913400.db2.gz QAGSLQNDKDLCES-UHFFFAOYSA-N 1 0 366.527 2.565 20 10 FFCDRO O=S(=O)(Nc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1)C1CC1 ZINC000898292788 735338103 /nfs/dbraw/zinc/33/81/03/735338103.db2.gz YESCVVSVOHFDHS-UHFFFAOYSA-N 1 0 358.463 2.815 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000898480732 735366424 /nfs/dbraw/zinc/36/64/24/735366424.db2.gz CRQLRQRSDNNFCZ-MFKMUULPSA-N 1 0 372.259 2.985 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c1O ZINC000898725700 735400643 /nfs/dbraw/zinc/40/06/43/735400643.db2.gz VMEKYASKVOBXOR-LBPRGKRZSA-N 1 0 366.259 2.855 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)[N@H+](C)C1CC1 ZINC000105152315 728504433 /nfs/dbraw/zinc/50/44/33/728504433.db2.gz BSHFSJMFRKUIBO-OAHLLOKOSA-N 1 0 362.543 2.522 20 10 FFCDRO CCCCN(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106584752 728511310 /nfs/dbraw/zinc/51/13/10/728511310.db2.gz CJLAQKKERJJBFA-UHFFFAOYSA-N 1 0 350.482 2.909 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000122799605 728651766 /nfs/dbraw/zinc/65/17/66/728651766.db2.gz BCUAKDFNGOAJHS-HNNXBMFYSA-N 1 0 361.511 2.820 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000127921738 728707637 /nfs/dbraw/zinc/70/76/37/728707637.db2.gz JCQXUEAQPPEQMP-UHFFFAOYSA-N 1 0 373.931 2.536 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000182317373 729275063 /nfs/dbraw/zinc/27/50/63/729275063.db2.gz OGPSXEAKCYIQRZ-LJQANCHMSA-N 1 0 365.543 2.579 20 10 FFCDRO [NH3+]C1(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000238007662 729566251 /nfs/dbraw/zinc/56/62/51/729566251.db2.gz HSOSINIGRTUHKK-CYBMUJFWSA-N 1 0 353.413 2.645 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(C)c2O)C1 ZINC000779024772 738430510 /nfs/dbraw/zinc/43/05/10/738430510.db2.gz QZGIXSMLMKKQMW-TZMCWYRMSA-N 1 0 357.292 2.834 20 10 FFCDRO CON1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000924904358 738460867 /nfs/dbraw/zinc/46/08/67/738460867.db2.gz BXGNLLLOBHLEHO-UHFFFAOYSA-N 1 0 355.429 2.872 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3c(O)cccc3Br)[C@H]2C1 ZINC000858165740 730418455 /nfs/dbraw/zinc/41/84/55/730418455.db2.gz YWMKINGKXOXFMT-NOLJZWGESA-N 1 0 367.287 2.891 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1F ZINC000858175626 730418713 /nfs/dbraw/zinc/41/87/13/730418713.db2.gz SCPPGLASXRTURD-CXAGYDPISA-N 1 0 350.413 2.774 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c1O ZINC000858434318 730425598 /nfs/dbraw/zinc/42/55/98/730425598.db2.gz FANOMCOGZBAIOS-GWCFXTLKSA-N 1 0 354.248 2.581 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1ccc(Cl)cc1O ZINC000858564300 730428936 /nfs/dbraw/zinc/42/89/36/730428936.db2.gz KBCWSRCHKJHBGA-YOEHRIQHSA-N 1 0 361.873 2.992 20 10 FFCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000925101455 738478411 /nfs/dbraw/zinc/47/84/11/738478411.db2.gz HPQBMXGWKXPGIA-SNVBAGLBSA-N 1 0 362.480 2.506 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn(C)n1 ZINC000925161900 738484283 /nfs/dbraw/zinc/48/42/83/738484283.db2.gz RMGNSBANPHFSMP-CHWSQXEVSA-N 1 0 351.401 2.736 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925161250 738484448 /nfs/dbraw/zinc/48/44/48/738484448.db2.gz OKCVDUWGFVLIIN-CJNGLKHVSA-N 1 0 356.413 2.998 20 10 FFCDRO Oc1cccc(Br)c1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000862217965 730677398 /nfs/dbraw/zinc/67/73/98/730677398.db2.gz ZLAVONKCBNPRNN-CQSZACIVSA-N 1 0 369.303 2.841 20 10 FFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(F)c(N(C)C)cc1F)CC2 ZINC000862247767 730681448 /nfs/dbraw/zinc/68/14/48/730681448.db2.gz BVGHVLYZSBUWSH-MSOLQXFVSA-N 1 0 354.441 2.783 20 10 FFCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862368512 730692917 /nfs/dbraw/zinc/69/29/17/730692917.db2.gz IRKUDAMMCIYWBN-LLVKDONJSA-N 1 0 357.248 2.865 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000862540940 730707597 /nfs/dbraw/zinc/70/75/97/730707597.db2.gz KNCVFNAGVQPJOA-LBPRGKRZSA-N 1 0 354.447 2.754 20 10 FFCDRO O[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000865750408 730993473 /nfs/dbraw/zinc/99/34/73/730993473.db2.gz OVPDVNKDWKBWQZ-NVXWUHKLSA-N 1 0 369.303 2.679 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O ZINC000866492482 731066574 /nfs/dbraw/zinc/06/65/74/731066574.db2.gz HPVSOYXHAHEATJ-PEYYIBSZSA-N 1 0 354.422 2.552 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797416 731832920 /nfs/dbraw/zinc/83/29/20/731832920.db2.gz YTWGKMGFAWVIFP-GDBMZVCRSA-N 1 0 351.512 2.865 20 10 FFCDRO COCCC1([NH2+]Cc2cc(C)cc(Br)c2[O-])CC[NH2+]CC1 ZINC000873224961 731892586 /nfs/dbraw/zinc/89/25/86/731892586.db2.gz OEOJDKFUUVQKSM-UHFFFAOYSA-N 1 0 357.292 2.711 20 10 FFCDRO CS(=O)(=O)c1ccc2c(c1)N(Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000662256994 732289020 /nfs/dbraw/zinc/28/90/20/732289020.db2.gz LFXLBSAIMJPRBY-UHFFFAOYSA-N 1 0 356.491 2.689 20 10 FFCDRO Cc1cc(C(=O)N(C)C[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000877104147 732323525 /nfs/dbraw/zinc/32/35/25/732323525.db2.gz COLUNRUHIXAZJX-JTQLQIEISA-N 1 0 365.275 2.671 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000877416507 732359076 /nfs/dbraw/zinc/35/90/76/732359076.db2.gz LDLLSHCNDNLVHE-UHFFFAOYSA-N 1 0 364.442 2.669 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000877424927 732359528 /nfs/dbraw/zinc/35/95/28/732359528.db2.gz TXUXTQLGYAXDMY-UHFFFAOYSA-N 1 0 358.389 2.893 20 10 FFCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C[NH+](C)C ZINC000877669461 732409236 /nfs/dbraw/zinc/40/92/36/732409236.db2.gz KIKKSOJFWOZUKS-ZIAGYGMSSA-N 1 0 360.329 2.870 20 10 FFCDRO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877798775 732434262 /nfs/dbraw/zinc/43/42/62/732434262.db2.gz BYRWGFJBPOGPBT-RBSFLKMASA-N 1 0 366.889 2.677 20 10 FFCDRO C[C@@H]([NH2+]CCCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000878358748 732519474 /nfs/dbraw/zinc/51/94/74/732519474.db2.gz UIZSMFJVUJHWCV-MRXNPFEDSA-N 1 0 368.543 2.777 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000781910042 738671668 /nfs/dbraw/zinc/67/16/68/738671668.db2.gz UAQMFOWIBILTTJ-CQSZACIVSA-N 1 0 369.303 2.617 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926949780 738672159 /nfs/dbraw/zinc/67/21/59/738672159.db2.gz QETICASYVPPQQW-MDHDOXDCSA-N 1 0 356.260 2.918 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000883374956 733376519 /nfs/dbraw/zinc/37/65/19/733376519.db2.gz XSVCXIHRELAVKJ-YUSALJHKSA-N 1 0 362.289 2.689 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000782777058 738754680 /nfs/dbraw/zinc/75/46/80/738754680.db2.gz HOUNWDVQFAZFSZ-LIRRHRJNSA-N 1 0 368.905 2.615 20 10 FFCDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000705690739 734360582 /nfs/dbraw/zinc/36/05/82/734360582.db2.gz BZPMSAOQDKSWSA-UHFFFAOYSA-N 1 0 354.422 2.695 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000715138507 734371253 /nfs/dbraw/zinc/37/12/53/734371253.db2.gz VROSBPWFMHIRGD-BJHJDKERSA-N 1 0 350.415 2.514 20 10 FFCDRO CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000725849724 734396389 /nfs/dbraw/zinc/39/63/89/734396389.db2.gz WASKPSRMZFUIPH-SFHVURJKSA-N 1 0 360.479 2.573 20 10 FFCDRO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725849255 734396577 /nfs/dbraw/zinc/39/65/77/734396577.db2.gz XTRLURCFSJXISY-UHFFFAOYSA-N 1 0 362.495 2.867 20 10 FFCDRO Cc1ncsc1/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242320 734403477 /nfs/dbraw/zinc/40/34/77/734403477.db2.gz DXOBYMMFKUJEGN-SXSDINLZSA-N 1 0 358.511 2.950 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cccnc2Cl)[NH+](C)C)cc1 ZINC000891245229 734403927 /nfs/dbraw/zinc/40/39/27/734403927.db2.gz AQDXYWIZLSTYKC-KRWDZBQOSA-N 1 0 360.889 2.763 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@]2(C)Br)[NH+](C)C)cc1 ZINC000891248125 734404600 /nfs/dbraw/zinc/40/46/00/734404600.db2.gz VWMGPYBVWDUIII-YQQAZPJKSA-N 1 0 368.319 2.645 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000891254712 734405372 /nfs/dbraw/zinc/40/53/72/734405372.db2.gz INMAHGTXZSJHAX-HNNXBMFYSA-N 1 0 362.455 2.755 20 10 FFCDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2=CC(=O)CS2)CC1 ZINC000731869909 734702152 /nfs/dbraw/zinc/70/21/52/734702152.db2.gz QVFWFBNZUUSBTL-UHFFFAOYSA-N 1 0 359.495 2.521 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)c1 ZINC000733330791 734809581 /nfs/dbraw/zinc/80/95/81/734809581.db2.gz NLIMEBHAUGFVNW-UHFFFAOYSA-N 1 0 358.507 2.828 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000894689839 734900800 /nfs/dbraw/zinc/90/08/00/734900800.db2.gz NCUAEZQNZQMPJT-NWDGAFQWSA-N 1 0 354.447 2.801 20 10 FFCDRO C[C@]1(C2CC[NH+](Cc3c(O)cccc3Br)CC2)COC(=O)N1 ZINC000896471343 735166686 /nfs/dbraw/zinc/16/66/86/735166686.db2.gz HYWWIPYLKAILRH-MRXNPFEDSA-N 1 0 369.259 2.865 20 10 FFCDRO CCC1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000742370629 735234199 /nfs/dbraw/zinc/23/41/99/735234199.db2.gz FTUSPRNDFBMEIF-UHFFFAOYSA-N 1 0 350.528 2.980 20 10 FFCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000742370898 735234766 /nfs/dbraw/zinc/23/47/66/735234766.db2.gz ULXINOZROJFZHV-FUHWJXTLSA-N 1 0 350.528 2.980 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c(O)c1 ZINC000903173845 736048456 /nfs/dbraw/zinc/04/84/56/736048456.db2.gz XGQPPCAOFXTETQ-OAHLLOKOSA-N 1 0 362.495 2.943 20 10 FFCDRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000903217706 736057541 /nfs/dbraw/zinc/05/75/41/736057541.db2.gz CSCQKWASKITXJJ-GJZGRUSLSA-N 1 0 365.905 2.696 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000903296268 736072243 /nfs/dbraw/zinc/07/22/43/736072243.db2.gz DEEVGRSCZJPRBN-ZWKOPEQDSA-N 1 0 360.248 2.618 20 10 FFCDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392121 736086908 /nfs/dbraw/zinc/08/69/08/736086908.db2.gz MRTAJBWFNHGKKY-RDTXWAMCSA-N 1 0 365.905 2.838 20 10 FFCDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000756031889 736301058 /nfs/dbraw/zinc/30/10/58/736301058.db2.gz AXYBSNSMCIHSCJ-UHFFFAOYSA-N 1 0 359.495 2.576 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)c2c1c(F)ccc2O ZINC000756456685 736332824 /nfs/dbraw/zinc/33/28/24/736332824.db2.gz OBCSZXQJZOHKSQ-FRIZHTMISA-N 1 0 366.502 2.877 20 10 FFCDRO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccc(N(C)C)cc1 ZINC000757706071 736421372 /nfs/dbraw/zinc/42/13/72/736421372.db2.gz UMPHKJUNVSKWRB-IBGZPJMESA-N 1 0 367.559 2.855 20 10 FFCDRO CCCC[N@H+](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761197875 736706001 /nfs/dbraw/zinc/70/60/01/736706001.db2.gz DMGHMKPBUUQJHU-UHFFFAOYSA-N 1 0 353.850 2.542 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000764679852 737041144 /nfs/dbraw/zinc/04/11/44/737041144.db2.gz XONFTPZPZFAALN-HNNXBMFYSA-N 1 0 358.276 2.730 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000764679854 737041277 /nfs/dbraw/zinc/04/12/77/737041277.db2.gz XONFTPZPZFAALN-OAHLLOKOSA-N 1 0 358.276 2.730 20 10 FFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cccc(Br)c1O ZINC000764792874 737050165 /nfs/dbraw/zinc/05/01/65/737050165.db2.gz YMQDAAKUKSQIQV-GFCCVEGCSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000764905225 737061372 /nfs/dbraw/zinc/06/13/72/737061372.db2.gz SIEXTRTWEOAVTJ-MRXNPFEDSA-N 1 0 353.532 2.609 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290082 737105634 /nfs/dbraw/zinc/10/56/34/737105634.db2.gz HECARVVTPWUALA-YGRLFVJLSA-N 1 0 352.784 2.750 20 10 FFCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766028343 737185044 /nfs/dbraw/zinc/18/50/44/737185044.db2.gz LLPCIUSHNXFHHE-KSSFIOAISA-N 1 0 356.894 2.615 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1OC ZINC000766035703 737185577 /nfs/dbraw/zinc/18/55/77/737185577.db2.gz MYGQUJDTAVCVFL-ZDUSSCGKSA-N 1 0 351.443 2.963 20 10 FFCDRO CC(C)[C@](C)(O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771416462 737724801 /nfs/dbraw/zinc/72/48/01/737724801.db2.gz HGEURCRKXUPXBZ-QAPCUYQASA-N 1 0 354.878 2.533 20 10 FFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774163508 737965533 /nfs/dbraw/zinc/96/55/33/737965533.db2.gz LTRJRKASXVHGRF-RYUDHWBXSA-N 1 0 374.312 2.937 20 10 FFCDRO Cc1cc(C)c(O)c(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000774658175 738011448 /nfs/dbraw/zinc/01/14/48/738011448.db2.gz RDMBNRJFKWYBAO-MRXNPFEDSA-N 1 0 350.459 2.735 20 10 FFCDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)cc(F)c3[O-])C2)[C@H]1C(C)C ZINC000922396608 738138079 /nfs/dbraw/zinc/13/80/79/738138079.db2.gz YPYADLKFPDCNOK-RWQQGDIJSA-N 1 0 354.441 2.630 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1F ZINC000922417813 738141673 /nfs/dbraw/zinc/14/16/73/738141673.db2.gz PGKAGHBPJASYIL-UHFFFAOYSA-N 1 0 360.470 2.724 20 10 FFCDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000817981605 742226587 /nfs/dbraw/zinc/22/65/87/742226587.db2.gz UAXNKTQMDQREJT-BLLLJJGKSA-N 1 0 359.848 2.824 20 10 FFCDRO Fc1cc(C[NH2+]CCc2nc3c(s2)CCC3)ccc1N1CCOCC1 ZINC000922715895 738190683 /nfs/dbraw/zinc/19/06/83/738190683.db2.gz YHOYDOUUFKLJBY-UHFFFAOYSA-N 1 0 361.486 2.940 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)cc1F ZINC000776940577 738247076 /nfs/dbraw/zinc/24/70/76/738247076.db2.gz ZESBOHITNQWFQH-OAHLLOKOSA-N 1 0 363.864 2.979 20 10 FFCDRO COC[C@@H](C)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000777302798 738276982 /nfs/dbraw/zinc/27/69/82/738276982.db2.gz VNGIJCNGNMQOSU-RHSMWYFYSA-N 1 0 351.491 2.943 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000787243702 739118238 /nfs/dbraw/zinc/11/82/38/739118238.db2.gz BWGMVXHVDYRKMH-CYBMUJFWSA-N 1 0 350.415 2.610 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000789768804 739386466 /nfs/dbraw/zinc/38/64/66/739386466.db2.gz IHSRTHTUOPBDBY-IBGZPJMESA-N 1 0 365.543 2.533 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)c(C(F)(F)F)c1 ZINC000793030914 739732627 /nfs/dbraw/zinc/73/26/27/739732627.db2.gz BAQNPFHWSLQQPV-UHFFFAOYSA-N 1 0 364.433 2.686 20 10 FFCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCOC1 ZINC000793080217 739737657 /nfs/dbraw/zinc/73/76/57/739737657.db2.gz FPNBFXFIILMVAC-INIZCTEOSA-N 1 0 360.376 2.583 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000796529151 740150295 /nfs/dbraw/zinc/15/02/95/740150295.db2.gz MFVPFPQYXRMZGS-CHWSQXEVSA-N 1 0 361.515 2.919 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000797902019 740285490 /nfs/dbraw/zinc/28/54/90/740285490.db2.gz PIGRCPKUZHUHKX-HXUWFJFHSA-N 1 0 362.289 2.554 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805183595 740948124 /nfs/dbraw/zinc/94/81/24/740948124.db2.gz DQDGQICKDZSYHY-GFCCVEGCSA-N 1 0 370.291 2.684 20 10 FFCDRO O=C(NCCC[NH+]1CCCCC1)NCc1cc(Br)ccc1O ZINC000806331538 741053361 /nfs/dbraw/zinc/05/33/61/741053361.db2.gz BSDHQEMWNRMDGD-UHFFFAOYSA-N 1 0 370.291 2.830 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000809702384 741334229 /nfs/dbraw/zinc/33/42/29/741334229.db2.gz SKSMKAPDWOUBJB-SWLSCSKDSA-N 1 0 360.907 2.552 20 10 FFCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000809726307 741337430 /nfs/dbraw/zinc/33/74/30/741337430.db2.gz MLRJGPGMMXTTSR-AWEZNQCLSA-N 1 0 350.415 2.612 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)ccc1N(C)C ZINC000815119489 741903160 /nfs/dbraw/zinc/90/31/60/741903160.db2.gz ZROGZMBCARFYQE-HNNXBMFYSA-N 1 0 357.420 2.952 20 10 FFCDRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816561968 742042667 /nfs/dbraw/zinc/04/26/67/742042667.db2.gz SQNSEPBMJHDBJY-UHFFFAOYSA-N 1 0 356.447 2.525 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnsn2)C1 ZINC000823853336 742990745 /nfs/dbraw/zinc/99/07/45/742990745.db2.gz IKGKIUGNLMQFST-UHFFFAOYSA-N 1 0 355.467 2.898 20 10 FFCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000824677162 743127255 /nfs/dbraw/zinc/12/72/55/743127255.db2.gz AKWXIELFUCCMRW-AAEUAGOBSA-N 1 0 368.421 2.780 20 10 FFCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1)C(F)(F)F ZINC000824827548 743156367 /nfs/dbraw/zinc/15/63/67/743156367.db2.gz FWPZKDRDAKHBOP-CMPLNLGQSA-N 1 0 362.779 2.888 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1C ZINC000824831259 743158742 /nfs/dbraw/zinc/15/87/42/743158742.db2.gz VPLZEQSQFFWZJJ-ZFWWWQNUSA-N 1 0 356.388 2.852 20 10 FFCDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000824883767 743170915 /nfs/dbraw/zinc/17/09/15/743170915.db2.gz NKWYMBHOXVKRQD-INIZCTEOSA-N 1 0 350.503 2.587 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000825132273 743216293 /nfs/dbraw/zinc/21/62/93/743216293.db2.gz ZVPRMHWNZCZDIJ-UHFFFAOYSA-N 1 0 368.886 2.563 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000825131551 743216465 /nfs/dbraw/zinc/21/64/65/743216465.db2.gz PPSFHIGBKKPFEW-AWEZNQCLSA-N 1 0 370.218 2.823 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCOc2ccccc21 ZINC000825773784 743325212 /nfs/dbraw/zinc/32/52/12/743325212.db2.gz PLJDMAZCIGLNNS-KRWDZBQOSA-N 1 0 364.239 2.915 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000825885905 743338184 /nfs/dbraw/zinc/33/81/84/743338184.db2.gz LCLUEHBTQMQSOA-IUODEOHRSA-N 1 0 360.907 2.552 20 10 FFCDRO COCC[NH+](CCOC)C1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825892433 743339533 /nfs/dbraw/zinc/33/95/33/743339533.db2.gz FEUCWYMHXYJGNW-UHFFFAOYSA-N 1 0 370.921 2.913 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)[C@H]1n1cccn1 ZINC000826024107 743356899 /nfs/dbraw/zinc/35/68/99/743356899.db2.gz RHTUXUWCMBYODV-FVQBIDKESA-N 1 0 366.259 2.860 20 10 FFCDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826535418 743391459 /nfs/dbraw/zinc/39/14/59/743391459.db2.gz WMUVMAGEPRCWFQ-OAHLLOKOSA-N 1 0 367.287 2.891 20 10 FFCDRO Oc1cc(Br)ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827519127 743592984 /nfs/dbraw/zinc/59/29/84/743592984.db2.gz KBLUOEKLGCGMLM-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C[N@@H+]1C1CC1 ZINC000832128605 745641076 /nfs/dbraw/zinc/64/10/76/745641076.db2.gz IYEHJLQXDMBMTP-IUODEOHRSA-N 1 0 356.495 2.671 20 10 FFCDRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832265916 745668929 /nfs/dbraw/zinc/66/89/29/745668929.db2.gz BSMZSTFQEUZXIE-IUODEOHRSA-N 1 0 362.499 2.655 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(Br)o2)cc1 ZINC000832292311 745673172 /nfs/dbraw/zinc/67/31/72/745673172.db2.gz FOCRKHJEHPYGPI-GFCCVEGCSA-N 1 0 352.232 2.538 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000832293168 745673695 /nfs/dbraw/zinc/67/36/95/745673695.db2.gz QUYFEVILQPPMNZ-HNNXBMFYSA-N 1 0 361.829 2.565 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000835036898 745936041 /nfs/dbraw/zinc/93/60/41/745936041.db2.gz SESKPAFHODVQCI-YADGQWAMSA-N 1 0 361.555 2.563 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000835053980 745940163 /nfs/dbraw/zinc/94/01/63/745940163.db2.gz GGSKMRDXAFGUJV-OSJSJHBBSA-N 1 0 356.491 2.927 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835075706 745945476 /nfs/dbraw/zinc/94/54/76/745945476.db2.gz ZOXCLAVCWZWGMV-KGLIPLIRSA-N 1 0 353.260 2.706 20 10 FFCDRO C[S@@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838961603 746746094 /nfs/dbraw/zinc/74/60/94/746746094.db2.gz KUBSGBIABOUMIK-HXUWFJFHSA-N 1 0 359.333 2.908 20 10 FFCDRO CC[N@@H+]1CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000839144708 746787665 /nfs/dbraw/zinc/78/76/65/746787665.db2.gz JRKPGYMCMFAHKT-KSSFIOAISA-N 1 0 353.457 2.621 20 10 FFCDRO COC(=O)[C@H]1CSCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840184731 747031452 /nfs/dbraw/zinc/03/14/52/747031452.db2.gz AUVZDZOOWNPWRX-CQSZACIVSA-N 1 0 361.463 2.892 20 10 FFCDRO Cc1cc(O)c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Cl)c1 ZINC000840914008 747222747 /nfs/dbraw/zinc/22/27/47/747222747.db2.gz NXNFRRIDCVNUPO-INIZCTEOSA-N 1 0 351.922 2.956 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000840937464 747234939 /nfs/dbraw/zinc/23/49/39/747234939.db2.gz UAIMWZKJFYBMDY-UHFFFAOYSA-N 1 0 367.559 2.601 20 10 FFCDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706008 747436881 /nfs/dbraw/zinc/43/68/81/747436881.db2.gz BIMFCGWDOLZOGF-SFHVURJKSA-N 1 0 362.543 2.523 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000841798946 747463637 /nfs/dbraw/zinc/46/36/37/747463637.db2.gz ODSSQABPPZTOTD-GDBMZVCRSA-N 1 0 350.482 2.798 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841856421 747477092 /nfs/dbraw/zinc/47/70/92/747477092.db2.gz JHISLFKWQVIALU-UONOGXRCSA-N 1 0 354.545 2.656 20 10 FFCDRO COc1c(O)c(C[NH+]2CCC(OC)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000841890994 747482535 /nfs/dbraw/zinc/48/25/35/747482535.db2.gz LTNHROHYKMEWTG-UHFFFAOYSA-N 1 0 364.320 2.852 20 10 FFCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841895463 747484212 /nfs/dbraw/zinc/48/42/12/747484212.db2.gz CPWOSKITBJPNTL-AWEZNQCLSA-N 1 0 352.910 2.985 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000841944079 747490383 /nfs/dbraw/zinc/49/03/83/747490383.db2.gz VWXQHYSENNFALC-CYBMUJFWSA-N 1 0 358.280 2.670 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844928865 748138395 /nfs/dbraw/zinc/13/83/95/748138395.db2.gz ZVNQAOFOFOXQMR-INIZCTEOSA-N 1 0 350.507 2.503 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)ccc1O ZINC000846206927 748430504 /nfs/dbraw/zinc/43/05/04/748430504.db2.gz VVHGRADFWJJAHL-MNOVXSKESA-N 1 0 353.260 2.816 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000846697700 748525250 /nfs/dbraw/zinc/52/52/50/748525250.db2.gz UXLKAJSUYYMGSX-SFHVURJKSA-N 1 0 361.873 2.943 20 10 FFCDRO CCN1C[C@H](C[N@H+](CC)Cc2cc(Br)ccc2O)OC1=O ZINC000846808025 748549048 /nfs/dbraw/zinc/54/90/48/748549048.db2.gz OYBBTIPIEVNDBG-ZDUSSCGKSA-N 1 0 357.248 2.817 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1O ZINC000848525319 748949178 /nfs/dbraw/zinc/94/91/78/748949178.db2.gz MPWDHCXBIPJPRA-SNVBAGLBSA-N 1 0 359.264 2.682 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(OC)CCOC2)c1O ZINC000848546058 748955970 /nfs/dbraw/zinc/95/59/70/748955970.db2.gz QOMPHWBFXSJJRF-ZUZCIYMTSA-N 1 0 360.248 2.619 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000848546647 748956712 /nfs/dbraw/zinc/95/67/12/748956712.db2.gz FBIALLZNKWGKSA-CBAPKCEASA-N 1 0 354.191 2.830 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c(C(F)(F)F)c1 ZINC000848577693 748965038 /nfs/dbraw/zinc/96/50/38/748965038.db2.gz PKLLODKEDVKHFH-AWEZNQCLSA-N 1 0 357.376 2.844 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000848901809 749031200 /nfs/dbraw/zinc/03/12/00/749031200.db2.gz DCIQRNLRKRCHBF-SFHVURJKSA-N 1 0 366.527 2.781 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Br)nn3C)C2)cc1 ZINC000850346036 749346209 /nfs/dbraw/zinc/34/62/09/749346209.db2.gz BKRZEQXNBBJCMC-GFCCVEGCSA-N 1 0 365.275 2.560 20 10 FFCDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000850395669 749358686 /nfs/dbraw/zinc/35/86/86/749358686.db2.gz BNMOHNPAMGTKQL-LLVKDONJSA-N 1 0 355.276 2.891 20 10 FFCDRO C[C@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000850439490 749365368 /nfs/dbraw/zinc/36/53/68/749365368.db2.gz PBAIOCDPBGDGDZ-KGLIPLIRSA-N 1 0 351.401 2.527 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c2c1c(F)ccc2O ZINC000850520801 749381684 /nfs/dbraw/zinc/38/16/84/749381684.db2.gz YLURBAQFJIZLDQ-WPRPVWTQSA-N 1 0 355.353 2.646 20 10 FFCDRO COc1ccc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)c(O)c1OC ZINC000893273447 971244230 /nfs/dbraw/zinc/24/42/30/971244230.db2.gz KDXLAVBERPKCLS-UHFFFAOYSA-N 1 0 372.343 2.992 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000185509658 971293120 /nfs/dbraw/zinc/29/31/20/971293120.db2.gz GFYMBXYMQAMFGY-CDXJDZJCSA-N 1 0 370.493 2.934 20 10 FFCDRO CCOC1CC2(C[C@@H]2NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000896320995 971420760 /nfs/dbraw/zinc/42/07/60/971420760.db2.gz QJFFVOKNKLSDBX-LSNYBQGISA-N 1 0 374.529 2.612 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1O ZINC000826298570 947862194 /nfs/dbraw/zinc/86/21/94/947862194.db2.gz ZGUIFWBMGPZYAO-UHFFFAOYSA-N 1 0 365.437 2.924 20 10 FFCDRO Cc1ccc(C[NH2+]CCN2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000896344313 971444995 /nfs/dbraw/zinc/44/49/95/971444995.db2.gz MEMITBVBWGPGSE-UHFFFAOYSA-N 1 0 363.502 2.779 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)[NH+](C)C)cc1 ZINC000896674811 971663300 /nfs/dbraw/zinc/66/33/00/971663300.db2.gz RUMUORRCTIDUMT-IMJJTQAJSA-N 1 0 372.435 2.853 20 10 FFCDRO CC(=O)[C@H](C)N1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001275892572 1013147827 /nfs/dbraw/zinc/14/78/27/1013147827.db2.gz FLLOFEVOROXPGI-ZDUSSCGKSA-N 1 0 364.873 2.838 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C[NH3+])c3ccccc32)cc1 ZINC000872154749 1013157995 /nfs/dbraw/zinc/15/79/95/1013157995.db2.gz YBDXOAINHCNZNP-GOSISDBHSA-N 1 0 366.509 2.664 20 10 FFCDRO CCc1cccc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC001125976304 972345739 /nfs/dbraw/zinc/34/57/39/972345739.db2.gz VAPNRWOZEPCQLP-UHFFFAOYSA-N 1 0 370.472 2.855 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001271241554 972391975 /nfs/dbraw/zinc/39/19/75/972391975.db2.gz FZQHPBVZHHTNGE-HXUWFJFHSA-N 1 0 355.438 2.554 20 10 FFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001279106863 960397643 /nfs/dbraw/zinc/39/76/43/960397643.db2.gz GPTSNHBXIRVTCE-HXUWFJFHSA-N 1 0 367.484 2.910 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)CCO)C1 ZINC000652959131 960421622 /nfs/dbraw/zinc/42/16/22/960421622.db2.gz ZCGMMDFZJLUHBY-INIZCTEOSA-N 1 0 357.498 2.637 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)CO)C1 ZINC000683489617 960786653 /nfs/dbraw/zinc/78/66/53/960786653.db2.gz JGKLJNQYOQJEBL-UHFFFAOYSA-N 1 0 357.498 2.543 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951452 1013221006 /nfs/dbraw/zinc/22/10/06/1013221006.db2.gz JUGMNYDQXFGNCO-HRAATJIYSA-N 1 0 357.498 2.605 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cncc(F)c2)[NH+](C)C)cc1 ZINC000891242287 962531515 /nfs/dbraw/zinc/53/15/15/962531515.db2.gz DPZSCOIQCIVNJT-GSXXRBPTSA-N 1 0 356.445 2.719 20 10 FFCDRO C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245256 962559834 /nfs/dbraw/zinc/55/98/34/962559834.db2.gz BHEJIGJNKPZDBW-UAOJZALGSA-N 1 0 369.513 2.561 20 10 FFCDRO C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245563 962560392 /nfs/dbraw/zinc/56/03/92/962560392.db2.gz GPYLACRVZXQNJQ-NIKGAXFTSA-N 1 0 369.513 2.561 20 10 FFCDRO Cc1nc(C2CC2)oc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247165 962571071 /nfs/dbraw/zinc/57/10/71/962571071.db2.gz GECRZBVBWKKVPU-QGZVFWFLSA-N 1 0 356.470 2.959 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(c3ccccn3)CC2)[NH+](C)C)cc1 ZINC000891247246 962571897 /nfs/dbraw/zinc/57/18/97/962571897.db2.gz RZSWKXFXJZQIOB-GOSISDBHSA-N 1 0 352.482 2.598 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nc2C(C)(C)C)[NH+](C)C)cc1 ZINC000891249099 962591930 /nfs/dbraw/zinc/59/19/30/962591930.db2.gz PPUDYLVGZUMTMO-SFHVURJKSA-N 1 0 371.529 2.816 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1C ZINC000873069585 1013373068 /nfs/dbraw/zinc/37/30/68/1013373068.db2.gz LYSPQUPVPQYXRA-OXQOHEQNSA-N 1 0 359.470 2.594 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCOC2)cc1C ZINC001087131676 962937182 /nfs/dbraw/zinc/93/71/82/962937182.db2.gz JRLUXUJRIJYKBY-MNEFBYGVSA-N 1 0 360.498 2.757 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)[C@]12CCCO2 ZINC000873105627 1013386057 /nfs/dbraw/zinc/38/60/57/1013386057.db2.gz ZNSPDFBWXWYSBF-PWRODBHTSA-N 1 0 371.481 2.756 20 10 FFCDRO O=C1N(CC2CCOCC2)CC[C@@]12CCC[N@H+]2Cc1cc(F)ccc1O ZINC001276064591 1013387641 /nfs/dbraw/zinc/38/76/41/1013387641.db2.gz UTGRBPPMEGVZIR-FQEVSTJZSA-N 1 0 362.445 2.525 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1Cn1cccn1 ZINC000873141299 1013400552 /nfs/dbraw/zinc/40/05/52/1013400552.db2.gz CPRYKVWMEKVZFE-QGZVFWFLSA-N 1 0 364.440 2.759 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccn(C4CCC4)c(=O)c3)cc2)CC1 ZINC001167436882 963262949 /nfs/dbraw/zinc/26/29/49/963262949.db2.gz DWJVRTLZWUZESL-UHFFFAOYSA-N 1 0 352.482 2.937 20 10 FFCDRO COc1nc2[nH]ccc2cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167436900 963263468 /nfs/dbraw/zinc/26/34/68/963263468.db2.gz FQSQWAWEABIDNL-UHFFFAOYSA-N 1 0 351.454 2.887 20 10 FFCDRO CCOc1nc(Cl)ncc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167436853 963263889 /nfs/dbraw/zinc/26/38/89/963263889.db2.gz CTOFYUOXWWYUAB-UHFFFAOYSA-N 1 0 361.877 2.893 20 10 FFCDRO Cn1c(=O)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC001167437658 963283019 /nfs/dbraw/zinc/28/30/19/963283019.db2.gz XUQLMCAKXCLHDD-UHFFFAOYSA-N 1 0 362.477 2.902 20 10 FFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000068549361 963667812 /nfs/dbraw/zinc/66/78/12/963667812.db2.gz BFLOQZVWHDCPKT-ROUUACIJSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc(OC)c(OC)c2O)c1 ZINC000894474213 965401214 /nfs/dbraw/zinc/40/12/14/965401214.db2.gz GITVDICBTQGKKT-UHFFFAOYSA-N 1 0 374.481 2.982 20 10 FFCDRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158329425 966527652 /nfs/dbraw/zinc/52/76/52/966527652.db2.gz CCESHSMYZATIEE-IAGOWNOFSA-N 1 0 366.477 2.756 20 10 FFCDRO COc1ccc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c(O)c1OC ZINC000892283362 966803241 /nfs/dbraw/zinc/80/32/41/966803241.db2.gz ZQVNMRHONHUIDQ-UHFFFAOYSA-N 1 0 372.465 2.978 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4nc[nH]c4C34CCC4)cc2)CC1 ZINC000895068484 967365078 /nfs/dbraw/zinc/36/50/78/967365078.db2.gz BORURLVLGGIYMX-UHFFFAOYSA-N 1 0 351.498 2.599 20 10 FFCDRO COc1ccc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c(O)c1OC ZINC000895208601 968443369 /nfs/dbraw/zinc/44/33/69/968443369.db2.gz VHRBOYNMTHWKBF-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000179476001 968804845 /nfs/dbraw/zinc/80/48/45/968804845.db2.gz CALKCLHJRXUXHX-UHFFFAOYSA-N 1 0 373.409 2.640 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1nnc2n1CCCCC2 ZINC000892794570 970296883 /nfs/dbraw/zinc/29/68/83/970296883.db2.gz DLXVSFPRDATXLK-AWEZNQCLSA-N 1 0 360.458 2.968 20 10 FFCDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)ncn1 ZINC000892886094 970347162 /nfs/dbraw/zinc/34/71/62/970347162.db2.gz NDJGEOVBIGQJFG-MRXNPFEDSA-N 1 0 372.469 2.520 20 10 FFCDRO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895477219 970657545 /nfs/dbraw/zinc/65/75/45/970657545.db2.gz SBEIWOPIDVBYNI-ORAYPTAESA-N 1 0 361.438 2.938 20 10 FFCDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000125066960 973030303 /nfs/dbraw/zinc/03/03/03/973030303.db2.gz VWJICXHXZDVNKB-ROUUACIJSA-N 1 0 374.529 2.615 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCCF)CC[C@@H]3C2)cc1 ZINC001088216564 973700093 /nfs/dbraw/zinc/70/00/93/973700093.db2.gz OMDYNQNUKWTQIH-CABCVRRESA-N 1 0 361.421 2.603 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)c2c1 ZINC000760549256 975482696 /nfs/dbraw/zinc/48/26/96/975482696.db2.gz ILJUDLFJOKGOSR-HNNXBMFYSA-N 1 0 355.438 2.590 20 10 FFCDRO COc1nc(C)cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000760577208 975668199 /nfs/dbraw/zinc/66/81/99/975668199.db2.gz UNAFWDKMCDIZTP-UHFFFAOYSA-N 1 0 367.497 2.938 20 10 FFCDRO COc1ccc2c(c1)CC[C@@H]2C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506218 1014287880 /nfs/dbraw/zinc/28/78/80/1014287880.db2.gz HLAMITVTOQRAAD-PMACEKPBSA-N 1 0 353.466 2.607 20 10 FFCDRO COc1cccc(C(C)(C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876507175 1014288601 /nfs/dbraw/zinc/28/86/01/1014288601.db2.gz XFLKZDSJEHHYFX-LJQANCHMSA-N 1 0 355.482 2.855 20 10 FFCDRO COc1ccc(CCC[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000125888888 976040155 /nfs/dbraw/zinc/04/01/55/976040155.db2.gz OAKYYKQWXPJMNN-UHFFFAOYSA-N 1 0 369.509 2.942 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(O)c1 ZINC000876557674 1014303603 /nfs/dbraw/zinc/30/36/03/1014303603.db2.gz KJXGXJZQXNUJLT-UHFFFAOYSA-N 1 0 364.449 2.667 20 10 FFCDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876696753 1014355226 /nfs/dbraw/zinc/35/52/26/1014355226.db2.gz JUENEEQGTLKUHP-HXUWFJFHSA-N 1 0 371.525 2.625 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccncc2)[NH+](C)C)cc1 ZINC000899103306 976914091 /nfs/dbraw/zinc/91/40/91/976914091.db2.gz YSINLACJSRRZII-LJQANCHMSA-N 1 0 355.486 2.592 20 10 FFCDRO CC[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000899104695 976916964 /nfs/dbraw/zinc/91/69/64/976916964.db2.gz SGPONQPHKYEMGH-RBUKOAKNSA-N 1 0 362.518 2.566 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000728913620 977427763 /nfs/dbraw/zinc/42/77/63/977427763.db2.gz NZYYGBCUVABUMY-PMACEKPBSA-N 1 0 363.505 2.917 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000728913617 977428402 /nfs/dbraw/zinc/42/84/02/977428402.db2.gz NZYYGBCUVABUMY-BGYRXZFFSA-N 1 0 363.505 2.917 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000893750579 977537741 /nfs/dbraw/zinc/53/77/41/977537741.db2.gz UZYUYQXPBUHWRJ-PKOBYXMFSA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c(O)c1OC ZINC000893902939 977586431 /nfs/dbraw/zinc/58/64/31/977586431.db2.gz SAOOIZRKBLPSGZ-UHFFFAOYSA-N 1 0 361.417 2.656 20 10 FFCDRO CCNC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876931693 1014424335 /nfs/dbraw/zinc/42/43/35/1014424335.db2.gz SKRMGQYEYWTVMQ-UHFFFAOYSA-N 1 0 367.493 2.687 20 10 FFCDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000729305902 978234713 /nfs/dbraw/zinc/23/47/13/978234713.db2.gz QRUSFMLZHRSJIW-OAQYLSRUSA-N 1 0 373.541 2.992 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN1CCOC[C@H]1C ZINC000729385154 978269567 /nfs/dbraw/zinc/26/95/67/978269567.db2.gz AJBYWALRWDVFBK-GOSISDBHSA-N 1 0 355.482 2.853 20 10 FFCDRO COc1ccc(COCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877133354 1014483436 /nfs/dbraw/zinc/48/34/36/1014483436.db2.gz GFMJZZWYCFWNHD-UHFFFAOYSA-N 1 0 370.493 2.963 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3cn4ccccc4n3)cc2)CC1 ZINC000877144985 1014489068 /nfs/dbraw/zinc/48/90/68/1014489068.db2.gz BCAUSXQGCAWQSO-UHFFFAOYSA-N 1 0 350.466 2.628 20 10 FFCDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(N)=O ZINC000877560039 1014627049 /nfs/dbraw/zinc/62/70/49/1014627049.db2.gz DUMGAZXWDNKRPQ-GOSISDBHSA-N 1 0 373.541 2.761 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccn(C(F)F)c3=O)C2)cc1 ZINC000877598913 1014640257 /nfs/dbraw/zinc/64/02/57/1014640257.db2.gz WONCYOYJHAZZGA-CQSZACIVSA-N 1 0 363.408 2.868 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCc2ccccc21 ZINC000877608995 1014643949 /nfs/dbraw/zinc/64/39/49/1014643949.db2.gz BYMIIGBCPMCQFJ-HSZRJFAPSA-N 1 0 366.505 2.614 20 10 FFCDRO C[NH+]1CCC(n2cc(NCc3ccc(N4CCC(O)CC4)cc3)cn2)CC1 ZINC000877686766 1014678329 /nfs/dbraw/zinc/67/83/29/1014678329.db2.gz XBHCGZJMJZOCDP-UHFFFAOYSA-N 1 0 369.513 2.723 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c(OC)c1 ZINC000877708183 1014691942 /nfs/dbraw/zinc/69/19/42/1014691942.db2.gz CQLAOABICDTNRD-UHFFFAOYSA-N 1 0 369.465 2.984 20 10 FFCDRO c1cnc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C[C@H]1CCCN21 ZINC000877715947 1014696609 /nfs/dbraw/zinc/69/66/09/1014696609.db2.gz MXDQWDDCTCNOSK-OAQYLSRUSA-N 1 0 364.493 2.903 20 10 FFCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000897473791 981203617 /nfs/dbraw/zinc/20/36/17/981203617.db2.gz FRZMDWKFVNKZTI-WMZOPIPTSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000237365746 981517311 /nfs/dbraw/zinc/51/73/11/981517311.db2.gz LETFCJBVVZCYKL-SJORKVTESA-N 1 0 359.514 2.726 20 10 FFCDRO COC(=O)c1cc(C2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)[nH]n1 ZINC000898007352 982578445 /nfs/dbraw/zinc/57/84/45/982578445.db2.gz DDHROBMRLBXNCG-UHFFFAOYSA-N 1 0 354.454 2.786 20 10 FFCDRO C[C@H](Cc1cccnc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898310294 982679271 /nfs/dbraw/zinc/67/92/71/982679271.db2.gz VEBMDGNIRGEGOF-OXQOHEQNSA-N 1 0 369.513 2.681 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)C[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000878239955 1014939644 /nfs/dbraw/zinc/93/96/44/1014939644.db2.gz CIRKTDGSOKYEQQ-RZUBCFFCSA-N 1 0 371.477 2.858 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H](O)CCC(C)C)CC2)cc(OC)c1OC ZINC000796448749 1014960702 /nfs/dbraw/zinc/96/07/02/1014960702.db2.gz HNOCRVUMCCFDRP-KRWDZBQOSA-N 1 0 366.502 2.632 20 10 FFCDRO C[NH+](C)CCOc1ccc(CCC(=O)NCCc2ccc(N)cc2)cc1 ZINC000911782286 983896741 /nfs/dbraw/zinc/89/67/41/983896741.db2.gz HKGXYRHIIZIULP-UHFFFAOYSA-N 1 0 355.482 2.501 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000826036036 1014997642 /nfs/dbraw/zinc/99/76/42/1014997642.db2.gz UIWUSONNALBBLI-UHFFFAOYSA-N 1 0 359.514 2.922 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000878358078 1015001412 /nfs/dbraw/zinc/00/14/12/1015001412.db2.gz LNNCRQATMHMQBM-PXNSSMCTSA-N 1 0 362.514 2.620 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000764576668 984575719 /nfs/dbraw/zinc/57/57/19/984575719.db2.gz SSHYZVVOWHQNMA-QGZVFWFLSA-N 1 0 363.502 2.815 20 10 FFCDRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(N(C)C)cc1 ZINC000764659014 984616741 /nfs/dbraw/zinc/61/67/41/984616741.db2.gz MJKMWLUHCSZVMF-HNNXBMFYSA-N 1 0 358.486 2.658 20 10 FFCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000785430878 984734953 /nfs/dbraw/zinc/73/49/53/984734953.db2.gz CGAGDUHBMASSCO-QGZVFWFLSA-N 1 0 356.445 2.521 20 10 FFCDRO COCCOc1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000764986284 984900229 /nfs/dbraw/zinc/90/02/29/984900229.db2.gz DJVKKJIBKWWPDR-UHFFFAOYSA-N 1 0 371.481 2.874 20 10 FFCDRO c1cnc(N2CCC([NH2+]Cc3ccc(N4CCSCC4)cc3)CC2)cn1 ZINC000765078769 984959029 /nfs/dbraw/zinc/95/90/29/984959029.db2.gz FFCWFZQOLCQWFB-UHFFFAOYSA-N 1 0 369.538 2.788 20 10 FFCDRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000171198074 985235278 /nfs/dbraw/zinc/23/52/78/985235278.db2.gz FCTNWFYUGHYJLS-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CC=CCC3)CC2)cc1 ZINC000172438869 985551316 /nfs/dbraw/zinc/55/13/16/985551316.db2.gz SXKIBJYIHPWDGA-GOSISDBHSA-N 1 0 372.513 2.615 20 10 FFCDRO COc1ccc([C@@H]2C[C@H]([NH2+]CCc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001168589186 985654000 /nfs/dbraw/zinc/65/40/00/985654000.db2.gz AQEQBEMQXOPNTI-QRWLVFNGSA-N 1 0 359.422 2.864 20 10 FFCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232975267 986349575 /nfs/dbraw/zinc/34/95/75/986349575.db2.gz YJICOBYGVLWKGS-CQSZACIVSA-N 1 0 361.223 2.734 20 10 FFCDRO C[N@@H+](Cc1ccc(I)cc1O)CC1CC[NH+](C)CC1 ZINC001232978302 986350024 /nfs/dbraw/zinc/35/00/24/986350024.db2.gz CIARAOTYMRBSPJ-UHFFFAOYSA-N 1 0 374.266 2.770 20 10 FFCDRO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000029889906 986767624 /nfs/dbraw/zinc/76/76/24/986767624.db2.gz FQFCUEPNVAFFRD-MRXNPFEDSA-N 1 0 355.482 2.578 20 10 FFCDRO COC(=O)c1n[nH]c2c1CN(Cc1cc(OC)cc(C(C)(C)C)c1O)CC2 ZINC000826083201 1015322099 /nfs/dbraw/zinc/32/20/99/1015322099.db2.gz AWQYUYDFXUHKAP-UHFFFAOYSA-N 1 0 373.453 2.766 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000765979961 988306265 /nfs/dbraw/zinc/30/62/65/988306265.db2.gz XAWIVIKMNBLFTQ-FQEVSTJZSA-N 1 0 374.481 2.838 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000922563505 988694547 /nfs/dbraw/zinc/69/45/47/988694547.db2.gz IKCBVGGMAGQMFF-HXUWFJFHSA-N 1 0 362.420 2.799 20 10 FFCDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000073917146 989234100 /nfs/dbraw/zinc/23/41/00/989234100.db2.gz QAXBBSBCKMFNPZ-UHFFFAOYSA-N 1 0 358.530 2.990 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3OCC[C@H]4O)cc2)CC1 ZINC000766087668 990005077 /nfs/dbraw/zinc/00/50/77/990005077.db2.gz SSZTYFPWXLZLPL-HXUWFJFHSA-N 1 0 353.466 2.866 20 10 FFCDRO CC(C)n1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000879455869 1015544534 /nfs/dbraw/zinc/54/45/34/1015544534.db2.gz FNQLGDSDTYSGKU-UHFFFAOYSA-N 1 0 356.474 2.538 20 10 FFCDRO CC(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCCC1 ZINC000154735025 990404439 /nfs/dbraw/zinc/40/44/39/990404439.db2.gz CUTOXCLFZYJLIS-FQEVSTJZSA-N 1 0 356.514 2.982 20 10 FFCDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000763456046 991167329 /nfs/dbraw/zinc/16/73/29/991167329.db2.gz VXMHWFJEWBBVDC-UXHICEINSA-N 1 0 373.541 2.991 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000175553042 991219815 /nfs/dbraw/zinc/21/98/15/991219815.db2.gz MZYZUEBSJUWTOX-UHFFFAOYSA-N 1 0 358.461 2.823 20 10 FFCDRO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068548966 991467099 /nfs/dbraw/zinc/46/70/99/991467099.db2.gz PADYRCLHNQWCRD-QGZVFWFLSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068548976 991467491 /nfs/dbraw/zinc/46/74/91/991467491.db2.gz ZUYPHHJDIJTLRG-QGZVFWFLSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c1 ZINC000180603490 991523390 /nfs/dbraw/zinc/52/33/90/991523390.db2.gz LJRSGSBTOYFWJQ-UHFFFAOYSA-N 1 0 350.418 2.901 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000068973682 991553563 /nfs/dbraw/zinc/55/35/63/991553563.db2.gz CISJJOQPFDXDJR-QGZVFWFLSA-N 1 0 360.410 2.952 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000069009916 991565811 /nfs/dbraw/zinc/56/58/11/991565811.db2.gz ONCAUTLVZSLZPO-UHFFFAOYSA-N 1 0 356.422 2.649 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181932463 991926869 /nfs/dbraw/zinc/92/68/69/991926869.db2.gz NNICBNOGSIGPKN-MRXNPFEDSA-N 1 0 360.410 2.952 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181932448 991927245 /nfs/dbraw/zinc/92/72/45/991927245.db2.gz NNICBNOGSIGPKN-INIZCTEOSA-N 1 0 360.410 2.952 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001236981698 991981816 /nfs/dbraw/zinc/98/18/16/991981816.db2.gz NQCPUIWMHMFIBA-NSHDSACASA-N 1 0 353.182 2.799 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 ZINC000182349111 992019585 /nfs/dbraw/zinc/01/95/85/992019585.db2.gz PUBHTHVMBQOBPY-ZRGWGRIASA-N 1 0 364.486 2.763 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 ZINC000182349078 992020185 /nfs/dbraw/zinc/02/01/85/992020185.db2.gz PUBHTHVMBQOBPY-VCBZYWHSSA-N 1 0 364.486 2.763 20 10 FFCDRO CCc1cnccc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000182539497 992119235 /nfs/dbraw/zinc/11/92/35/992119235.db2.gz VWWNPXXALQCXQW-UHFFFAOYSA-N 1 0 370.472 2.855 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c(O)cc1C ZINC000184930303 993077172 /nfs/dbraw/zinc/07/71/72/993077172.db2.gz BOCSHJUEEIOYFL-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c(O)c1 ZINC000185213659 993241018 /nfs/dbraw/zinc/24/10/18/993241018.db2.gz QKQYZQDZDFEDSG-KRWDZBQOSA-N 1 0 353.466 2.700 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)ccc1OC ZINC000808446570 994121246 /nfs/dbraw/zinc/12/12/46/994121246.db2.gz KZTXXBHWJHEABG-YZGWKJHDSA-N 1 0 360.498 2.968 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H](C)[C@@H]1C[NH2+]CCO1)N=[N+]=[N-] ZINC001170563404 994315737 /nfs/dbraw/zinc/31/57/37/994315737.db2.gz LWCWQTGMCYXKDP-NFVJRJMQSA-N 1 0 374.445 2.702 20 10 FFCDRO Cc1ccncc1CCC[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000809632082 994560958 /nfs/dbraw/zinc/56/09/58/994560958.db2.gz JZEGGUSZZUUQJO-FQEVSTJZSA-N 1 0 366.509 2.814 20 10 FFCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809631759 994561428 /nfs/dbraw/zinc/56/14/28/994561428.db2.gz CKPWHLOLUSXUOF-UHFFFAOYSA-N 1 0 366.509 2.952 20 10 FFCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000810174029 994729522 /nfs/dbraw/zinc/72/95/22/994729522.db2.gz OCNSGXGFARQLGM-NRFANRHFSA-N 1 0 358.482 2.853 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2cn[nH]c2)C1 ZINC000803479962 1015895168 /nfs/dbraw/zinc/89/51/68/1015895168.db2.gz QMNBXQOYKDNOQM-UHFFFAOYSA-N 1 0 352.438 2.874 20 10 FFCDRO CN(C)c1ccc([C@@H](CN[C@H](c2nc[nH]n2)c2ccccc2)[NH+](C)C)cc1 ZINC000903448001 1015897049 /nfs/dbraw/zinc/89/70/49/1015897049.db2.gz HKDWTQSCRRYRHQ-UXHICEINSA-N 1 0 364.497 2.853 20 10 FFCDRO Cc1nc(C2CC2)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001133123849 995333027 /nfs/dbraw/zinc/33/30/27/995333027.db2.gz ZFSLAQITNUVHAA-UHFFFAOYSA-N 1 0 364.493 2.949 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1OC ZINC000824634598 997020867 /nfs/dbraw/zinc/02/08/67/997020867.db2.gz AYUIQFMBWYXKSL-UZLBHIALSA-N 1 0 361.413 2.709 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1Cl ZINC000825185036 997241998 /nfs/dbraw/zinc/24/19/98/997241998.db2.gz HCCYTPILSXGKNY-IBGZPJMESA-N 1 0 373.840 2.698 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000845256589 998440356 /nfs/dbraw/zinc/44/03/56/998440356.db2.gz YXQZHRWOMCNYDI-KRWDZBQOSA-N 1 0 362.518 2.505 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC001144508862 998622383 /nfs/dbraw/zinc/62/23/83/998622383.db2.gz BFHQKUMKYBKMQK-UHFFFAOYSA-N 1 0 369.343 2.539 20 10 FFCDRO COC(=O)c1cccc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144515378 998627667 /nfs/dbraw/zinc/62/76/67/998627667.db2.gz LVHZWWGAEIBONQ-UHFFFAOYSA-N 1 0 357.406 2.970 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(O)ccc3C)cc2F)CC1 ZINC001144592943 998670053 /nfs/dbraw/zinc/67/00/53/998670053.db2.gz XPBBTYFBTGPULA-UHFFFAOYSA-N 1 0 371.456 2.912 20 10 FFCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000845948670 998690631 /nfs/dbraw/zinc/69/06/31/998690631.db2.gz BMYAALBIZCMHRR-QZTJIDSGSA-N 1 0 361.530 2.929 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccnn2)cc1C ZINC001085371330 999418156 /nfs/dbraw/zinc/41/81/56/999418156.db2.gz KIGJKQACADEJBD-IAGOWNOFSA-N 1 0 354.454 2.624 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C2CC2)cc1 ZINC000739033815 999639352 /nfs/dbraw/zinc/63/93/52/999639352.db2.gz CXYZJYWOJBIPOC-GOSISDBHSA-N 1 0 356.514 2.911 20 10 FFCDRO COC(=O)CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CCOCC1 ZINC000743404966 999818168 /nfs/dbraw/zinc/81/81/68/999818168.db2.gz ZQPHKAZJVANMOM-UHFFFAOYSA-N 1 0 365.470 2.939 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000746416100 999987078 /nfs/dbraw/zinc/98/70/78/999987078.db2.gz DYRYBQGTZOKIBX-QGZVFWFLSA-N 1 0 362.493 2.765 20 10 FFCDRO COc1ccc(CN2CC[C@H]([N@@H+]3CCc4cccc(O)c4C3)CC2=O)cc1 ZINC001168946722 1000011063 /nfs/dbraw/zinc/01/10/63/1000011063.db2.gz JKFGPSOQEFDIMD-SFHVURJKSA-N 1 0 366.461 2.950 20 10 FFCDRO C[C@@H]1COCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000766854443 1000080006 /nfs/dbraw/zinc/08/00/06/1000080006.db2.gz IOERFTPYMLCBGH-DYESRHJHSA-N 1 0 371.525 2.507 20 10 FFCDRO CC(C)(C)c1cc(C[NH+]2CCN(CC(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000768218058 1000196300 /nfs/dbraw/zinc/19/63/00/1000196300.db2.gz XKBOZJGOXDXMQT-UHFFFAOYSA-N 1 0 361.530 2.590 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000846171458 1000215902 /nfs/dbraw/zinc/21/59/02/1000215902.db2.gz HAKNIMWKSNMTKP-MRXNPFEDSA-N 1 0 370.497 2.993 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000846138205 1000217682 /nfs/dbraw/zinc/21/76/82/1000217682.db2.gz UYBPJRGBYSAADW-FUHWJXTLSA-N 1 0 356.466 2.952 20 10 FFCDRO Oc1cc2c(cc1CN1CCC[N@H+](Cc3ccccc3)CC1)[C@@H](O)CO2 ZINC000768442576 1000249012 /nfs/dbraw/zinc/24/90/12/1000249012.db2.gz TXTKATJNVPMFOP-FQEVSTJZSA-N 1 0 354.450 2.526 20 10 FFCDRO CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000768449339 1000250520 /nfs/dbraw/zinc/25/05/20/1000250520.db2.gz GMJMMICRDDXASA-FQEVSTJZSA-N 1 0 368.477 2.914 20 10 FFCDRO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000768465480 1000263122 /nfs/dbraw/zinc/26/31/22/1000263122.db2.gz NYKOWXZBAZJOHY-HXUWFJFHSA-N 1 0 353.418 2.621 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001091246426 1000325608 /nfs/dbraw/zinc/32/56/08/1000325608.db2.gz IDESZMZUXICRDF-BRDNKTQISA-N 1 0 358.482 2.556 20 10 FFCDRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2NCc2ccc(O)c(O)c2)CC1 ZINC001169996628 1000355409 /nfs/dbraw/zinc/35/54/09/1000355409.db2.gz DMAUKGYIRARAQD-SHTZXODSSA-N 1 0 355.438 2.710 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000846697404 1000412409 /nfs/dbraw/zinc/41/24/09/1000412409.db2.gz QGDRHJDQALYQED-QFIPXVFZSA-N 1 0 367.493 2.521 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000770382552 1000758905 /nfs/dbraw/zinc/75/89/05/1000758905.db2.gz UOKODFVVWKMXGT-GXTWGEPZSA-N 1 0 364.442 2.999 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cn1 ZINC000771380307 1001082279 /nfs/dbraw/zinc/08/22/79/1001082279.db2.gz FVJRUCPOZJLPRM-GDBMZVCRSA-N 1 0 356.445 2.773 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000787334090 1001682422 /nfs/dbraw/zinc/68/24/22/1001682422.db2.gz GCFSSUDMJPNQLW-YRISNDGFSA-N 1 0 365.477 2.863 20 10 FFCDRO C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000787317692 1001684650 /nfs/dbraw/zinc/68/46/50/1001684650.db2.gz LUCPJCIUWKBHQI-SJORKVTESA-N 1 0 374.529 2.708 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000787420580 1001688847 /nfs/dbraw/zinc/68/88/47/1001688847.db2.gz JDEBLJVYXMRRSK-GOEBONIOSA-N 1 0 361.442 2.969 20 10 FFCDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788549354 1001819089 /nfs/dbraw/zinc/81/90/89/1001819089.db2.gz WBNFGBZAWGCCIL-YQQAZPJKSA-N 1 0 361.465 2.599 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000773083426 1002989621 /nfs/dbraw/zinc/98/96/21/1002989621.db2.gz ZVLJSCRKFQNGMQ-GOSISDBHSA-N 1 0 360.498 2.982 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(F)c3)cc2)CC1 ZINC001185840625 1003090781 /nfs/dbraw/zinc/09/07/81/1003090781.db2.gz HBUYNRYPNPFNSR-UHFFFAOYSA-N 1 0 356.445 2.577 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(O)c1 ZINC000792790068 1003179653 /nfs/dbraw/zinc/17/96/53/1003179653.db2.gz PPSVEUDZWVNISL-KRWDZBQOSA-N 1 0 361.417 2.642 20 10 FFCDRO COc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001186159610 1003202895 /nfs/dbraw/zinc/20/28/95/1003202895.db2.gz CWXWHPFJHRJBSM-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c(O)c1 ZINC000792885600 1003219565 /nfs/dbraw/zinc/21/95/65/1003219565.db2.gz XOVTVSIFDPGPMA-KRWDZBQOSA-N 1 0 373.453 2.939 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1O ZINC000775503739 1004073791 /nfs/dbraw/zinc/07/37/91/1004073791.db2.gz NJJVWZXXRPOPRQ-LJQANCHMSA-N 1 0 374.506 2.868 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC[C@@H]2C[C@@H]21 ZINC000807062773 1004499534 /nfs/dbraw/zinc/49/95/34/1004499534.db2.gz KABNXNOIOKKWGB-CTNGQTDRSA-N 1 0 368.525 2.913 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775835737 1004564291 /nfs/dbraw/zinc/56/42/91/1004564291.db2.gz WMCNUKMBSSPIKZ-OAHLLOKOSA-N 1 0 359.445 2.738 20 10 FFCDRO Cc1cccc(OCCNC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834011 1004571709 /nfs/dbraw/zinc/57/17/09/1004571709.db2.gz ODZWXHFZZMWNCI-KRWDZBQOSA-N 1 0 355.482 2.907 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000105193972 1005000425 /nfs/dbraw/zinc/00/04/25/1005000425.db2.gz XYTDXUKAKVAEIB-ROUUACIJSA-N 1 0 374.529 2.615 20 10 FFCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CCCOC1 ZINC000825536334 1005367062 /nfs/dbraw/zinc/36/70/62/1005367062.db2.gz HJUPHLRFWOOHQJ-FQEVSTJZSA-N 1 0 365.470 2.900 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)[C@]3(O)CCCOC3)CC2)cc1 ZINC000850400211 1005813196 /nfs/dbraw/zinc/81/31/96/1005813196.db2.gz BQYFMBWIGMEBKS-NRFANRHFSA-N 1 0 362.514 2.821 20 10 FFCDRO Cc1cc(C)n2c(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cnc2n1 ZINC000850405711 1005813659 /nfs/dbraw/zinc/81/36/59/1005813659.db2.gz AHSDWWXSDLXCQE-UHFFFAOYSA-N 1 0 365.481 2.597 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1[N+](=O)[O-] ZINC000850405933 1005813795 /nfs/dbraw/zinc/81/37/95/1005813795.db2.gz KYTFQEPLKILVLU-UHFFFAOYSA-N 1 0 371.437 2.854 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c(O)c1 ZINC000850557612 1005822393 /nfs/dbraw/zinc/82/23/93/1005822393.db2.gz XBNILPSVLOXTKX-PGRDOPGGSA-N 1 0 370.493 2.615 20 10 FFCDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850569175 1005822906 /nfs/dbraw/zinc/82/29/06/1005822906.db2.gz WIFXLUOHJYULCJ-LJQANCHMSA-N 1 0 362.514 2.569 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000850566220 1005822983 /nfs/dbraw/zinc/82/29/83/1005822983.db2.gz MGZWGMKDPLSJQY-HNNXBMFYSA-N 1 0 368.481 2.989 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1(C(=O)OC)CCC1 ZINC000850567348 1005823034 /nfs/dbraw/zinc/82/30/34/1005823034.db2.gz AFWYXTOPGQBCHN-LJQANCHMSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c1O ZINC000850576849 1005823241 /nfs/dbraw/zinc/82/32/41/1005823241.db2.gz PWQQUUDNBYLEMA-MJGOQNOKSA-N 1 0 369.509 2.868 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000850759192 1005836795 /nfs/dbraw/zinc/83/67/95/1005836795.db2.gz NKHXUSCLHIYDMB-DJJJIMSYSA-N 1 0 371.437 2.944 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851641979 1005902115 /nfs/dbraw/zinc/90/21/15/1005902115.db2.gz RMHGIBKTOJYSNQ-IIBYNOLFSA-N 1 0 365.477 2.872 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000852092465 1005941124 /nfs/dbraw/zinc/94/11/24/1005941124.db2.gz VHNKOEZYHRGBCZ-BZSNNMDCSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000852092467 1005941201 /nfs/dbraw/zinc/94/12/01/1005941201.db2.gz VHNKOEZYHRGBCZ-KURKYZTESA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC000852199749 1005950533 /nfs/dbraw/zinc/95/05/33/1005950533.db2.gz CNASTYMVVIATGZ-QZTJIDSGSA-N 1 0 374.529 2.551 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](CO)Cc4ccccc43)cc2)CC1 ZINC000814169545 1006184844 /nfs/dbraw/zinc/18/48/44/1006184844.db2.gz IYYHZLIWCABGIW-IBGZPJMESA-N 1 0 351.494 2.610 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)Nc3nn(C)c(C)c3C[NH3+])c2C)cc1 ZINC000852899726 1006225812 /nfs/dbraw/zinc/22/58/12/1006225812.db2.gz LRODBGXMAGQTBH-UHFFFAOYSA-N 1 0 367.453 2.856 20 10 FFCDRO CC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000881849618 1006242551 /nfs/dbraw/zinc/24/25/51/1006242551.db2.gz GYLPVQINZWPCNO-UHFFFAOYSA-N 1 0 351.450 2.571 20 10 FFCDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121372 1006305388 /nfs/dbraw/zinc/30/53/88/1006305388.db2.gz CZCRFMLPMGBPDJ-VGSWGCGISA-N 1 0 354.494 2.902 20 10 FFCDRO C[C@H]1CCCc2ncc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)n21 ZINC001134686278 1006437122 /nfs/dbraw/zinc/43/71/22/1006437122.db2.gz GIQZQUXEUDOVNJ-MAUKXSAKSA-N 1 0 369.513 2.879 20 10 FFCDRO Cc1ccc(F)c(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001134681564 1006443819 /nfs/dbraw/zinc/44/38/19/1006443819.db2.gz AIJGGGUYZORNEN-IBGZPJMESA-N 1 0 373.472 2.998 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2OCCc3ccccc32)[NH+](C)C)cc1 ZINC001134682086 1006444727 /nfs/dbraw/zinc/44/47/27/1006444727.db2.gz UOFANVRMTCKRRV-RTWAWAEBSA-N 1 0 367.493 2.786 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853560387 1006444981 /nfs/dbraw/zinc/44/49/81/1006444981.db2.gz OUIGXRJKNJFNGB-WIYYLYMNSA-N 1 0 368.477 2.567 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]4C[C@H]4C3)cc2F)CC1 ZINC000853694477 1006507969 /nfs/dbraw/zinc/50/79/69/1006507969.db2.gz ORUXQLMERODODN-IRXDYDNUSA-N 1 0 360.477 2.519 20 10 FFCDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)cc2[nH]1 ZINC000882917173 1006561133 /nfs/dbraw/zinc/56/11/33/1006561133.db2.gz GFBUFPDJPQVMGZ-UHFFFAOYSA-N 1 0 366.465 2.767 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNCc3nccn3-c3ccccc3)cc2)CC1 ZINC000883283389 1006730574 /nfs/dbraw/zinc/73/05/74/1006730574.db2.gz CXGAHHWIIQDQAU-UHFFFAOYSA-N 1 0 361.493 2.914 20 10 FFCDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230250 1006732720 /nfs/dbraw/zinc/73/27/20/1006732720.db2.gz KWHJOXMNXXHMCS-VGOFRKELSA-N 1 0 353.510 2.696 20 10 FFCDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCCC2 ZINC000883290700 1006736114 /nfs/dbraw/zinc/73/61/14/1006736114.db2.gz CRUXHAMUCYLKCE-KRWDZBQOSA-N 1 0 353.514 2.822 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)cc1F ZINC000775200999 1006739631 /nfs/dbraw/zinc/73/96/31/1006739631.db2.gz ABROJEFHOFMQLZ-ROUUACIJSA-N 1 0 368.493 2.518 20 10 FFCDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298222 1006763955 /nfs/dbraw/zinc/76/39/55/1006763955.db2.gz YLEGHLQTRAQEPP-GOSISDBHSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)cc1 ZINC000854301613 1006767260 /nfs/dbraw/zinc/76/72/60/1006767260.db2.gz QRXMHUXBZBNJRZ-HKUYNNGSSA-N 1 0 372.513 2.544 20 10 FFCDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000854301304 1006767937 /nfs/dbraw/zinc/76/79/37/1006767937.db2.gz NEBHFQGILFIKTN-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1ccncc1[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883580912 1006886429 /nfs/dbraw/zinc/88/64/29/1006886429.db2.gz LWEXSXNZBKDPJI-QGZVFWFLSA-N 1 0 367.497 2.702 20 10 FFCDRO Cc1cc(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccccc1 ZINC000854690148 1006953816 /nfs/dbraw/zinc/95/38/16/1006953816.db2.gz RDFLEBBAVBTRPC-NRFANRHFSA-N 1 0 369.509 2.600 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000134070473 1007336952 /nfs/dbraw/zinc/33/69/52/1007336952.db2.gz AUIGGWNOHAJHSU-SFHVURJKSA-N 1 0 358.530 2.846 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3n[nH]cc3F)C2)cc1C ZINC001086795720 1007418696 /nfs/dbraw/zinc/41/86/96/1007418696.db2.gz BGPDEKTZYQBFRF-LSDHHAIUSA-N 1 0 360.433 2.554 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000121568079 1007420769 /nfs/dbraw/zinc/42/07/69/1007420769.db2.gz VBTWJTXLBSOVDI-UHFFFAOYSA-N 1 0 368.477 2.869 20 10 FFCDRO COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775370566 1007545798 /nfs/dbraw/zinc/54/57/98/1007545798.db2.gz WEIVWARSYODZOH-CYBMUJFWSA-N 1 0 372.421 2.501 20 10 FFCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000817589317 1007660175 /nfs/dbraw/zinc/66/01/75/1007660175.db2.gz XEQGYPSBKMUZKI-CVEARBPZSA-N 1 0 366.477 2.897 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(N2CCOCC2)c1 ZINC000817938334 1007815566 /nfs/dbraw/zinc/81/55/66/1007815566.db2.gz JDMBSNDSWSWAFC-JTSKRJEESA-N 1 0 368.525 2.940 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)cc1 ZINC000818343397 1007905888 /nfs/dbraw/zinc/90/58/88/1007905888.db2.gz AXMQZQQCSNQNBD-KRWDZBQOSA-N 1 0 367.497 2.570 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000114589221 1007969004 /nfs/dbraw/zinc/96/90/04/1007969004.db2.gz DJGIGJXRIAWZLC-OAHLLOKOSA-N 1 0 369.465 2.647 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000114592367 1007969332 /nfs/dbraw/zinc/96/93/32/1007969332.db2.gz XLBCTHWVEZDOKD-GOSISDBHSA-N 1 0 357.454 2.811 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccccc1 ZINC000819121646 1008048611 /nfs/dbraw/zinc/04/86/11/1008048611.db2.gz NFPXDAOPNCSYAT-UHFFFAOYSA-N 1 0 371.456 2.905 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819379101 1008127170 /nfs/dbraw/zinc/12/71/70/1008127170.db2.gz CCXATHASJHHAAT-QRWLVFNGSA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000819380373 1008128136 /nfs/dbraw/zinc/12/81/36/1008128136.db2.gz POLXNYXCFDZERD-WMZOPIPTSA-N 1 0 374.456 2.690 20 10 FFCDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858133615 1008307455 /nfs/dbraw/zinc/30/74/55/1008307455.db2.gz ZHRJXPMGBGXDSJ-GOSISDBHSA-N 1 0 361.436 2.820 20 10 FFCDRO COC(=O)COc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858137569 1008308264 /nfs/dbraw/zinc/30/82/64/1008308264.db2.gz BCBOUBRZPLTIHG-UHFFFAOYSA-N 1 0 364.392 2.872 20 10 FFCDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858159831 1008313840 /nfs/dbraw/zinc/31/38/40/1008313840.db2.gz HOMWQZLXMJFDHM-ZWKOTPCHSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000858598686 1008388705 /nfs/dbraw/zinc/38/87/05/1008388705.db2.gz GTJMJQMWNGXELM-APWZRJJASA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000858765954 1008418341 /nfs/dbraw/zinc/41/83/41/1008418341.db2.gz TWSDAFNYFRZCDL-KRWDZBQOSA-N 1 0 362.518 2.505 20 10 FFCDRO C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000773622551 1008518207 /nfs/dbraw/zinc/51/82/07/1008518207.db2.gz GFVHDXZOPMHPNI-QGZVFWFLSA-N 1 0 374.529 2.567 20 10 FFCDRO COC(=O)[C@]1(OC)CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000859561832 1008561662 /nfs/dbraw/zinc/56/16/62/1008561662.db2.gz OWBMIBVJPKWPSJ-NRFANRHFSA-N 1 0 370.449 2.541 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCCC1 ZINC000886324875 1008637087 /nfs/dbraw/zinc/63/70/87/1008637087.db2.gz KISHQZNHDPJILO-UHFFFAOYSA-N 1 0 359.514 2.827 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc4cccnc4o3)cc2)CC1 ZINC000886325241 1008639203 /nfs/dbraw/zinc/63/92/03/1008639203.db2.gz ZKZJKOGYWKWEDU-UHFFFAOYSA-N 1 0 364.449 2.819 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1Cn1cccn1 ZINC001177479094 1008640688 /nfs/dbraw/zinc/64/06/88/1008640688.db2.gz DSLBFXLFVQHTBL-FQEVSTJZSA-N 1 0 365.477 2.881 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000822526768 1008645835 /nfs/dbraw/zinc/64/58/35/1008645835.db2.gz XMISBRCTVRMYOJ-UHFFFAOYSA-N 1 0 368.433 2.909 20 10 FFCDRO CN1CCCc2cc(CNC(=O)Nc3ccc4c(c3)OCC[NH2+]C4)ccc21 ZINC000859757656 1008651918 /nfs/dbraw/zinc/65/19/18/1008651918.db2.gz JLYWUPTYKYLZTR-UHFFFAOYSA-N 1 0 366.465 2.873 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3c([O-])cccc3F)cn2)CC1 ZINC000886505039 1008704454 /nfs/dbraw/zinc/70/44/54/1008704454.db2.gz GLPVGIFXYOBMME-HNNXBMFYSA-N 1 0 358.461 2.919 20 10 FFCDRO O=C(NCC[N@H+]1CC=CCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001206566438 1032344934 /nfs/dbraw/zinc/34/49/34/1032344934.db2.gz FPNUARDJRIQKNC-UHFFFAOYSA-N 1 0 362.437 2.780 20 10 FFCDRO CN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCC[N@H+](C)C1 ZINC001206566962 1032345518 /nfs/dbraw/zinc/34/55/18/1032345518.db2.gz RTOKCUAWQQOUEL-HNNXBMFYSA-N 1 0 364.453 2.954 20 10 FFCDRO C[C@]1(C[NH3+])CCCCN(Cc2cccc(I)c2O)C1 ZINC001206572597 1032348277 /nfs/dbraw/zinc/34/82/77/1032348277.db2.gz CWRDJGWZMJASEA-OAHLLOKOSA-N 1 0 374.266 2.948 20 10 FFCDRO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000860207165 1008891775 /nfs/dbraw/zinc/89/17/75/1008891775.db2.gz HVKXGMGRLVXYQQ-OAQYLSRUSA-N 1 0 368.481 2.513 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H](C)C[NH+]3CCCC3)C2)cc1 ZINC000823244288 1008992033 /nfs/dbraw/zinc/99/20/33/1008992033.db2.gz VJCIDCGVMSKCDQ-ROUUACIJSA-N 1 0 374.529 2.553 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000773752096 1009040688 /nfs/dbraw/zinc/04/06/88/1009040688.db2.gz HXBAGSXEIHYDSU-UHFFFAOYSA-N 1 0 352.482 2.564 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCOCC[NH+](C)C)ccc1C ZINC000860631080 1009088708 /nfs/dbraw/zinc/08/87/08/1009088708.db2.gz NMMIJVQWVUCTDM-UHFFFAOYSA-N 1 0 371.481 2.523 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001178696726 1009092731 /nfs/dbraw/zinc/09/27/31/1009092731.db2.gz NECVCASNYMRMGF-INIZCTEOSA-N 1 0 371.403 2.718 20 10 FFCDRO Cc1cc(Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)ccc1N1CCCCC1 ZINC000887448824 1009236244 /nfs/dbraw/zinc/23/62/44/1009236244.db2.gz HBFYNNKGMHEDQI-IBGZPJMESA-N 1 0 368.529 2.548 20 10 FFCDRO COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179691463 1009404342 /nfs/dbraw/zinc/40/43/42/1009404342.db2.gz QGZMAMJINVOEOB-LKUPDRCFSA-N 1 0 368.433 2.510 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861583360 1009475367 /nfs/dbraw/zinc/47/53/67/1009475367.db2.gz RZNAZLAOXACYHQ-HOCLYGCPSA-N 1 0 372.435 2.730 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CSc2ccc(O)cc2)[NH+](C)C)cc1 ZINC001180178598 1009572600 /nfs/dbraw/zinc/57/26/00/1009572600.db2.gz DFZQWIVDFVLVMD-IBGZPJMESA-N 1 0 373.522 2.969 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862274725 1009776757 /nfs/dbraw/zinc/77/67/57/1009776757.db2.gz UVQMXCXVHZCGEF-KSSFIOAISA-N 1 0 362.470 2.736 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(c4ccccc4)C3)cc2)CC1 ZINC000889658483 1010043622 /nfs/dbraw/zinc/04/36/22/1010043622.db2.gz FYJXULTXZWRQII-UHFFFAOYSA-N 1 0 364.493 2.747 20 10 FFCDRO C[C@@H](C1CC1)N(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000889666713 1010048269 /nfs/dbraw/zinc/04/82/69/1010048269.db2.gz PEXDEQSWLSBMBL-INIZCTEOSA-N 1 0 356.514 2.911 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4ncn(C)c43)c2)CC1 ZINC000863904919 1010352551 /nfs/dbraw/zinc/35/25/51/1010352551.db2.gz DRDVNSMYBIVJRJ-UHFFFAOYSA-N 1 0 363.465 2.968 20 10 FFCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182009382 1010359593 /nfs/dbraw/zinc/35/95/93/1010359593.db2.gz UZBVWMFNLBNXOF-KWTBEMHPSA-N 1 0 350.426 2.947 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]2C)cc1C ZINC001093651152 1010417015 /nfs/dbraw/zinc/41/70/15/1010417015.db2.gz XEFBLEUVUGUUOO-BHIYHBOVSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CC(C)(C)C3)CC2)cc1 ZINC000794823142 1010743143 /nfs/dbraw/zinc/74/31/43/1010743143.db2.gz MUVUPXHYWDZZQI-UHFFFAOYSA-N 1 0 359.514 2.760 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](OC)C(C)C)C[C@H]2C)cc1C ZINC001094014993 1010776370 /nfs/dbraw/zinc/77/63/70/1010776370.db2.gz VCUIBSQIGLUDBH-YVWKXTFCSA-N 1 0 362.514 2.859 20 10 FFCDRO Cn1nc2c(c1C[NH2+]Cc1ccc(N3CCC(O)CC3)c(F)c1)CCCC2 ZINC000865427023 1010783120 /nfs/dbraw/zinc/78/31/20/1010783120.db2.gz LBFOJKNYFMXNRV-UHFFFAOYSA-N 1 0 372.488 2.689 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnc2c(cnn2C)c1)c1ccc(N2CCOCC2)cc1 ZINC000865431449 1010784329 /nfs/dbraw/zinc/78/43/29/1010784329.db2.gz DKDWSHJNZYUMGM-OAHLLOKOSA-N 1 0 351.454 2.656 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCc4ncccc43)cc2)C1 ZINC000866238494 1010958908 /nfs/dbraw/zinc/95/89/08/1010958908.db2.gz PEHAWCNFRZIJLK-LAUBAEHRSA-N 1 0 364.493 2.951 20 10 FFCDRO O=C(C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001171873529 1011493594 /nfs/dbraw/zinc/49/35/94/1011493594.db2.gz OFKWFKCNLRZPCF-QGZVFWFLSA-N 1 0 368.433 2.565 20 10 FFCDRO Cc1nc(CN2CC[C@]3(CCC[N@@H+]3Cc3cc(O)ccc3O)C2=O)cs1 ZINC001275035401 1011842200 /nfs/dbraw/zinc/84/22/00/1011842200.db2.gz SZSRYHYSQBDVNX-LJQANCHMSA-N 1 0 373.478 2.630 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c(O)c1 ZINC001275244125 1012130983 /nfs/dbraw/zinc/13/09/83/1012130983.db2.gz BVYBGIBWHSWIHO-CQSZACIVSA-N 1 0 372.387 2.681 20 10 FFCDRO CCCCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275247736 1012134036 /nfs/dbraw/zinc/13/40/36/1012134036.db2.gz FNPJNEVNFFNWNM-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275248614 1012139665 /nfs/dbraw/zinc/13/96/65/1012139665.db2.gz POXGAEFABXZKGQ-UGSOOPFHSA-N 1 0 352.862 2.647 20 10 FFCDRO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001275254175 1012151858 /nfs/dbraw/zinc/15/18/58/1012151858.db2.gz LVGNQXXUYFAHMM-IAGOWNOFSA-N 1 0 374.872 2.545 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1O ZINC001275279045 1012191984 /nfs/dbraw/zinc/19/19/84/1012191984.db2.gz GMZCEFGZXXLAAA-GOSISDBHSA-N 1 0 354.397 2.628 20 10 FFCDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796338874 1012250662 /nfs/dbraw/zinc/25/06/62/1012250662.db2.gz QQSDDFWRVBRVCK-QFIPXVFZSA-N 1 0 353.510 2.652 20 10 FFCDRO CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001275385247 1012403867 /nfs/dbraw/zinc/40/38/67/1012403867.db2.gz CUULGFPCZZHMRL-OAQYLSRUSA-N 1 0 358.482 2.718 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000924650513 1017397460 /nfs/dbraw/zinc/39/74/60/1017397460.db2.gz YXZPGTCKLOOGCD-AWEZNQCLSA-N 1 0 364.449 2.667 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3c(C)noc3C)CC2)cc1 ZINC000924831265 1017509589 /nfs/dbraw/zinc/50/95/89/1017509589.db2.gz JOVFNISHKCRYEE-HNNXBMFYSA-N 1 0 358.486 2.773 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCc4oc(C)nc43)CC2)cc1 ZINC000924833434 1017509788 /nfs/dbraw/zinc/50/97/88/1017509788.db2.gz WMUDDSKSXLUPIK-IBGZPJMESA-N 1 0 370.497 2.781 20 10 FFCDRO CN(c1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1)C1CCCCC1 ZINC000924854865 1017519661 /nfs/dbraw/zinc/51/96/61/1017519661.db2.gz NBRXDCLKUZCIJP-FQEVSTJZSA-N 1 0 371.525 2.840 20 10 FFCDRO C[C@H]([NH3+])[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000925689942 1017817934 /nfs/dbraw/zinc/81/79/34/1017817934.db2.gz DSZGKWSFNKJMRW-LIRRHRJNSA-N 1 0 361.436 2.980 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CC2(O)CCCCCC2)cc1 ZINC000187329309 1018046649 /nfs/dbraw/zinc/04/66/49/1018046649.db2.gz CLEZDKNOWBIDRI-UHFFFAOYSA-N 1 0 361.530 2.728 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000926874199 1018276410 /nfs/dbraw/zinc/27/64/10/1018276410.db2.gz QOTYVBBHEMHDOO-FPOVZHCZSA-N 1 0 371.525 2.683 20 10 FFCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926874615 1018276830 /nfs/dbraw/zinc/27/68/30/1018276830.db2.gz VVNCLXYBSOQZSO-MRXNPFEDSA-N 1 0 352.482 2.504 20 10 FFCDRO CC1=NO[C@](C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001137440257 1018460896 /nfs/dbraw/zinc/46/08/96/1018460896.db2.gz REMDDAQAPAUQAO-YJBOKZPZSA-N 1 0 365.861 2.681 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000827662519 1018602683 /nfs/dbraw/zinc/60/26/83/1018602683.db2.gz SDFOOTJIVBNNDF-CMDGGOBGSA-N 1 0 370.449 2.717 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000827725686 1018629243 /nfs/dbraw/zinc/62/92/43/1018629243.db2.gz LMXKAEHCZSHGSM-HRAATJIYSA-N 1 0 365.477 2.587 20 10 FFCDRO COC[C@@]1(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC[NH2+]C1 ZINC000827821022 1018747858 /nfs/dbraw/zinc/74/78/58/1018747858.db2.gz LIAGOJQZFPUQEC-OAQYLSRUSA-N 1 0 359.514 2.698 20 10 FFCDRO OCC1([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccncc2)CCC1 ZINC000827933653 1019022791 /nfs/dbraw/zinc/02/27/91/1019022791.db2.gz ALHWPGJJSOLVFR-OAQYLSRUSA-N 1 0 367.493 2.912 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)c2ccccc2O)[C@@H](c2cnn(C)c2)C1 ZINC000827956370 1020123116 /nfs/dbraw/zinc/12/31/16/1020123116.db2.gz LCBFALZMYWZGDV-ATZDWAIDSA-N 1 0 370.497 2.817 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000802609973 1020254194 /nfs/dbraw/zinc/25/41/94/1020254194.db2.gz OGHVBFPJFVZDDB-UHFFFAOYSA-N 1 0 366.421 2.807 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)c(N)c3)cc2F)CC1 ZINC000828877382 1032887813 /nfs/dbraw/zinc/88/78/13/1032887813.db2.gz RHBLBPIQUISOQH-UHFFFAOYSA-N 1 0 370.472 2.788 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000828882871 1032889686 /nfs/dbraw/zinc/88/96/86/1032889686.db2.gz FCXAONVGSIRVEG-UYAOXDASSA-N 1 0 359.514 2.602 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000397772002 1020292851 /nfs/dbraw/zinc/29/28/51/1020292851.db2.gz MBLXTZYGBFWQTB-JKSUJKDBSA-N 1 0 364.442 2.902 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000931379083 1020443972 /nfs/dbraw/zinc/44/39/72/1020443972.db2.gz HBLAVNDCTWWNLE-HYXAFXHYSA-N 1 0 368.393 2.503 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)cc1 ZINC000900509358 1020460432 /nfs/dbraw/zinc/46/04/32/1020460432.db2.gz UKOUYOUNOJUNEI-AZUAARDMSA-N 1 0 357.498 2.797 20 10 FFCDRO COc1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)cc1 ZINC000931546918 1020509334 /nfs/dbraw/zinc/50/93/34/1020509334.db2.gz KKHSMFRECYHROW-JOCHJYFZSA-N 1 0 367.493 2.678 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222360869 1032911330 /nfs/dbraw/zinc/91/13/30/1032911330.db2.gz UOBHYAGZJQEZSD-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217951315 1032916055 /nfs/dbraw/zinc/91/60/55/1032916055.db2.gz RDNZBPBZIQTACJ-ZBFHGGJFSA-N 1 0 369.392 2.945 20 10 FFCDRO CCn1ncc(C)c1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000931937563 1020636678 /nfs/dbraw/zinc/63/66/78/1020636678.db2.gz ZKIMLCKXRLXKTL-QGZVFWFLSA-N 1 0 358.490 2.702 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1F ZINC000749219016 1020881678 /nfs/dbraw/zinc/88/16/78/1020881678.db2.gz HDTYSSFUWKXWGQ-SFHVURJKSA-N 1 0 370.472 2.815 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000749557920 1021006092 /nfs/dbraw/zinc/00/60/92/1021006092.db2.gz HBBFAQURNOTQNS-QRFRQXIXSA-N 1 0 374.529 2.756 20 10 FFCDRO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000778218977 1021135552 /nfs/dbraw/zinc/13/55/52/1021135552.db2.gz XMNYDWZXEBOMJZ-UHFFFAOYSA-N 1 0 351.450 2.784 20 10 FFCDRO Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1N1CC[NH+](C)CC1 ZINC001116510611 1021254596 /nfs/dbraw/zinc/25/45/96/1021254596.db2.gz VGWZTTSLOFUFAG-XBXARRHUSA-N 1 0 367.449 2.810 20 10 FFCDRO COc1ccc(C[N@H+](CCCO)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000934500939 1021263503 /nfs/dbraw/zinc/26/35/03/1021263503.db2.gz AGBFDHNLRUNJSV-UHFFFAOYSA-N 1 0 370.493 2.916 20 10 FFCDRO Cc1c(O)cc2c(c1OC1CC3(C1)CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218064309 1032975303 /nfs/dbraw/zinc/97/53/03/1032975303.db2.gz UZYBOSXWHGLLOC-UHFFFAOYSA-N 1 0 363.413 2.997 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218061700 1032975788 /nfs/dbraw/zinc/97/57/88/1032975788.db2.gz QHOCTICNENIGCQ-QWHCGFSZSA-N 1 0 351.402 2.995 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934836940 1021421705 /nfs/dbraw/zinc/42/17/05/1021421705.db2.gz GCYCGGHSYIIEGW-RTBURBONSA-N 1 0 359.514 2.507 20 10 FFCDRO O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)C=C1O[C@@H]1CN2C[C@H]1[NH2+]CC2 ZINC001218108845 1033000018 /nfs/dbraw/zinc/00/00/18/1033000018.db2.gz FRNJDCJOCUKURA-FXENKHCOSA-N 1 0 369.381 2.751 20 10 FFCDRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000113359147 1021897091 /nfs/dbraw/zinc/89/70/91/1021897091.db2.gz BRDZRHLCPSVKGP-GOSISDBHSA-N 1 0 373.884 2.899 20 10 FFCDRO COc1c(C)c(O[C@@H](C)C2C[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218194771 1033041899 /nfs/dbraw/zinc/04/18/99/1033041899.db2.gz NANVXEWVTVFNEM-LBPRGKRZSA-N 1 0 351.402 2.766 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)C(F)F)C3)cc1C ZINC001099355839 1022354320 /nfs/dbraw/zinc/35/43/20/1022354320.db2.gz TXKBMUYEKCJSEG-KXBFYZLASA-N 1 0 352.425 2.987 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccccc2CS(C)(=O)=O)cc1F ZINC001118856245 1022442962 /nfs/dbraw/zinc/44/29/62/1022442962.db2.gz UQQWRBBPVUHHQA-UHFFFAOYSA-N 1 0 368.449 2.865 20 10 FFCDRO Oc1ccccc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000158533781 1022532293 /nfs/dbraw/zinc/53/22/93/1022532293.db2.gz OBCZQVZTJNJIAL-UHFFFAOYSA-N 1 0 353.466 2.551 20 10 FFCDRO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccccc1 ZINC000048615457 1022765563 /nfs/dbraw/zinc/76/55/63/1022765563.db2.gz CTZCDXQCPRMZPG-UHFFFAOYSA-N 1 0 367.493 2.866 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3nc(C)nc4[nH]ccc43)CC2)cc1 ZINC000751219345 1022771413 /nfs/dbraw/zinc/77/14/13/1022771413.db2.gz ODISJVWYUZAVAI-UHFFFAOYSA-N 1 0 366.469 2.509 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000216369787 1022889912 /nfs/dbraw/zinc/88/99/12/1022889912.db2.gz PQZBLXIWCPXSHP-ABSDTBQOSA-N 1 0 359.514 2.758 20 10 FFCDRO CC(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276781555 1033107487 /nfs/dbraw/zinc/10/74/87/1033107487.db2.gz XZGIHESTYWORMZ-FQEVSTJZSA-N 1 0 362.470 2.664 20 10 FFCDRO CC(C)OCC[N@@H+]1CC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276783140 1033126762 /nfs/dbraw/zinc/12/67/62/1033126762.db2.gz QLPCZDUICFJNSX-NRFANRHFSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000754197556 1023439421 /nfs/dbraw/zinc/43/94/21/1023439421.db2.gz YAWMSBTUOQCTEC-NRFANRHFSA-N 1 0 351.494 2.980 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c1 ZINC000756398381 1023704669 /nfs/dbraw/zinc/70/46/69/1023704669.db2.gz WWMFSCAZGDWFON-KRWDZBQOSA-N 1 0 355.482 2.874 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(F)ccc1O ZINC000756457540 1023714183 /nfs/dbraw/zinc/71/41/83/1023714183.db2.gz RICRXMVPGDTGGB-WFASDCNBSA-N 1 0 374.412 2.507 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCC(=O)N(C)C)CC2)c2c1c(F)ccc2O ZINC000756561698 1023729335 /nfs/dbraw/zinc/72/93/35/1023729335.db2.gz HCGOTFIXGBXMRC-CZUORRHYSA-N 1 0 363.477 2.612 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000756837060 1023757798 /nfs/dbraw/zinc/75/77/98/1023757798.db2.gz FKXSOZMUEBNYNM-CKFHNAJUSA-N 1 0 368.481 2.849 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000756837062 1023757879 /nfs/dbraw/zinc/75/78/79/1023757879.db2.gz FKXSOZMUEBNYNM-NJSLBKSFSA-N 1 0 368.481 2.849 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000756837063 1023758079 /nfs/dbraw/zinc/75/80/79/1023758079.db2.gz FKXSOZMUEBNYNM-TYILLQQXSA-N 1 0 368.481 2.849 20 10 FFCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000756994966 1023776884 /nfs/dbraw/zinc/77/68/84/1023776884.db2.gz ACDQIYSIXXMLMC-HXUWFJFHSA-N 1 0 355.457 2.939 20 10 FFCDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)C[N@@H+]2C1 ZINC001123484378 1023824432 /nfs/dbraw/zinc/82/44/32/1023824432.db2.gz SWTRGCZMLAWKAZ-SLYNCCJLSA-N 1 0 371.525 2.602 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c(O)c1C ZINC000757656895 1023842844 /nfs/dbraw/zinc/84/28/44/1023842844.db2.gz OZQONJLUIMDJOM-RDJZCZTQSA-N 1 0 356.470 2.584 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(C)c(O)c2O)c1 ZINC000191954791 1023942018 /nfs/dbraw/zinc/94/20/18/1023942018.db2.gz LPWUILHNQJTEDI-UHFFFAOYSA-N 1 0 358.438 2.619 20 10 FFCDRO C[C@@H]([NH2+]C1(CNC(=O)c2cccc(O)c2O)CCOCC1)c1ccccc1 ZINC000193068959 1024373294 /nfs/dbraw/zinc/37/32/94/1024373294.db2.gz MCZCCKHBIVEZGT-OAHLLOKOSA-N 1 0 370.449 2.728 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c1O ZINC000758972472 1024405969 /nfs/dbraw/zinc/40/59/69/1024405969.db2.gz ATDUOEINTIWDPN-INIZCTEOSA-N 1 0 367.449 2.742 20 10 FFCDRO Cc1cc(C[NH+]2CCC(N3CCOCC3=O)CC2)c(C)n1-c1ccccc1 ZINC001137859450 1033229603 /nfs/dbraw/zinc/22/96/03/1033229603.db2.gz ZEPSRKXHPCHRGD-UHFFFAOYSA-N 1 0 367.493 2.917 20 10 FFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)CC[C@@H]21 ZINC001141140663 1025507657 /nfs/dbraw/zinc/50/76/57/1025507657.db2.gz ILOQXLOKADJMHX-MSOLQXFVSA-N 1 0 357.498 2.594 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CCN(C(=O)OC(C)(C)C)[C@@H]4C3)ccc21 ZINC001141141383 1025509830 /nfs/dbraw/zinc/50/98/30/1025509830.db2.gz XVOZQPKYJXUSHM-FUHWJXTLSA-N 1 0 373.497 2.956 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000837023275 1025513030 /nfs/dbraw/zinc/51/30/30/1025513030.db2.gz WCCZWRLQDKNPQI-UHFFFAOYSA-N 1 0 355.482 2.589 20 10 FFCDRO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141142903 1025514980 /nfs/dbraw/zinc/51/49/80/1025514980.db2.gz GBAWBDJUTMPOHV-NRFANRHFSA-N 1 0 357.498 2.738 20 10 FFCDRO CN1CCOc2cc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)ccc21 ZINC001141143405 1025516064 /nfs/dbraw/zinc/51/60/64/1025516064.db2.gz YAHFZHLPFOMLLK-UHFFFAOYSA-N 1 0 367.493 2.984 20 10 FFCDRO COC(=O)c1ccc(CN2CC[N@H+](Cc3cc(O)ccc3O)[C@H](C)C2)cc1 ZINC001141159221 1025543059 /nfs/dbraw/zinc/54/30/59/1025543059.db2.gz CLYCJALXIGSAAB-OAHLLOKOSA-N 1 0 370.449 2.591 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CCCCO3)cc2F)CC1 ZINC000837404107 1025781125 /nfs/dbraw/zinc/78/11/25/1025781125.db2.gz YOPPKTBPZVLARD-FQEVSTJZSA-N 1 0 363.477 2.543 20 10 FFCDRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N2CCOCC2)cc1 ZINC000837883501 1026084016 /nfs/dbraw/zinc/08/40/16/1026084016.db2.gz YYGZVUMKSZXVOS-XIHRNRATSA-N 1 0 372.513 2.509 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH+](C3CCC3)C3CCC3)CC2)cc1 ZINC000795451966 1026265320 /nfs/dbraw/zinc/26/53/20/1026265320.db2.gz IANMMQAKLHGJKO-NRFANRHFSA-N 1 0 373.541 2.585 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnc(C3CC3)nc2)cc(F)c1N1CCOCC1 ZINC000839143776 1026604407 /nfs/dbraw/zinc/60/44/07/1026604407.db2.gz BZCVVAGPCATWJD-UHFFFAOYSA-N 1 0 360.408 2.759 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)Oc2ccccc21 ZINC000840178044 1026998593 /nfs/dbraw/zinc/99/85/93/1026998593.db2.gz PPACESCTXZBTLC-FQEVSTJZSA-N 1 0 353.374 2.731 20 10 FFCDRO CC(C)COCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126186 1027224848 /nfs/dbraw/zinc/22/48/48/1027224848.db2.gz ULXOYFSWJVVNPU-UHFFFAOYSA-N 1 0 373.541 2.898 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@H](N)CC[NH3+] ZINC001160930850 1027928325 /nfs/dbraw/zinc/92/83/25/1027928325.db2.gz UWGBKDLXKMTHRV-QFIPXVFZSA-N 1 0 363.505 2.742 20 10 FFCDRO O=C([C@H]1CCCC[NH2+]C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532092 1028217772 /nfs/dbraw/zinc/21/77/72/1028217772.db2.gz NBUCFZXDPLFBAO-AWEZNQCLSA-N 1 0 371.403 2.624 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C)cc1C ZINC001103912228 1028367586 /nfs/dbraw/zinc/36/75/86/1028367586.db2.gz XADWMDOMMDJKQE-NVXWUHKLSA-N 1 0 356.470 2.615 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000795952537 1028370493 /nfs/dbraw/zinc/37/04/93/1028370493.db2.gz FLXYRTBMJKYOPP-SFHVURJKSA-N 1 0 356.422 2.755 20 10 FFCDRO CC(=O)N1CCc2cc(N3C[C@@H]([NH3+])Cc4ccccc43)cc([N+](=O)[O-])c21 ZINC001162853387 1028679851 /nfs/dbraw/zinc/67/98/51/1028679851.db2.gz JMEUODLSWKGXSW-HNNXBMFYSA-N 1 0 352.394 2.525 20 10 FFCDRO C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)c1ccccc1O ZINC000827959564 1028684008 /nfs/dbraw/zinc/68/40/08/1028684008.db2.gz BACQTZUSMYIUKG-ZDUSSCGKSA-N 1 0 368.437 2.500 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)ncc3F)CC2)cc1 ZINC001156257429 1029115037 /nfs/dbraw/zinc/11/50/37/1029115037.db2.gz SZKMODUEPTXSPU-UHFFFAOYSA-N 1 0 359.449 2.557 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nccnc3Cl)CC2)cc1 ZINC001164330507 1029247032 /nfs/dbraw/zinc/24/70/32/1029247032.db2.gz WQCKSQALPYVGPE-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cnc(C4CC4)nc3)CC2)cc1 ZINC001164334653 1029249516 /nfs/dbraw/zinc/24/95/16/1029249516.db2.gz VHPQJUVFCFMWIF-UHFFFAOYSA-N 1 0 367.497 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](F)Oc3cccc(Cl)n3)cc2)CC1 ZINC001156655502 1029291050 /nfs/dbraw/zinc/29/10/50/1029291050.db2.gz FVHXFKYSQMTCHF-GOSISDBHSA-N 1 0 364.852 2.909 20 10 FFCDRO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(SC)n1 ZINC001156655467 1029291677 /nfs/dbraw/zinc/29/16/77/1029291677.db2.gz CZLDRAYNDIHPGF-UHFFFAOYSA-N 1 0 359.499 2.571 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000840934023 1029934426 /nfs/dbraw/zinc/93/44/26/1029934426.db2.gz MGGBZRVMBSNRKW-QGZVFWFLSA-N 1 0 352.482 2.528 20 10 FFCDRO COc1ccc(N(Cc2ccccc2)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003454 1029969286 /nfs/dbraw/zinc/96/92/86/1029969286.db2.gz UHYZWVPTPHHCJV-IBGZPJMESA-N 1 0 367.493 2.899 20 10 FFCDRO [NH3+]CC(=O)N1CCC[C@@H](CN2CCCc3cc(OC(F)(F)F)ccc32)C1 ZINC000841011296 1029973634 /nfs/dbraw/zinc/97/36/34/1029973634.db2.gz HNAOOGOUPHADJW-ZDUSSCGKSA-N 1 0 371.403 2.535 20 10 FFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841045271 1030000329 /nfs/dbraw/zinc/00/03/29/1030000329.db2.gz JPUSDFBMPWQLEH-QRWLVFNGSA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000841094192 1030033802 /nfs/dbraw/zinc/03/38/02/1030033802.db2.gz QGIBYJOENQRQEL-KGLIPLIRSA-N 1 0 354.454 2.588 20 10 FFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)NC1CC[NH2+]CC1 ZINC000841146367 1030071886 /nfs/dbraw/zinc/07/18/86/1030071886.db2.gz OURXHRCEAXBVLO-UHFFFAOYSA-N 1 0 351.410 2.909 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000783505874 1030127892 /nfs/dbraw/zinc/12/78/92/1030127892.db2.gz LRWSEQVDQCUORN-CQSZACIVSA-N 1 0 368.433 2.915 20 10 FFCDRO [NH3+]CCOc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000841291815 1030164953 /nfs/dbraw/zinc/16/49/53/1030164953.db2.gz WHCAMCPHMJLITQ-UHFFFAOYSA-N 1 0 354.454 2.946 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000841322551 1030196794 /nfs/dbraw/zinc/19/67/94/1030196794.db2.gz OCRPEDYYXUZRHC-UHFFFAOYSA-N 1 0 354.454 2.646 20 10 FFCDRO O=C(/C=C/c1ccc[nH]1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000783693429 1030237824 /nfs/dbraw/zinc/23/78/24/1030237824.db2.gz NZXORKAVKFHTDI-JXMROGBWSA-N 1 0 364.493 2.876 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841709732 1030421992 /nfs/dbraw/zinc/42/19/92/1030421992.db2.gz LWVVLBVTPVFOEV-MOPGFXCFSA-N 1 0 356.514 2.818 20 10 FFCDRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000784065485 1030450440 /nfs/dbraw/zinc/45/04/40/1030450440.db2.gz OGBLISWRVQRQHX-MRXNPFEDSA-N 1 0 364.367 2.827 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000841779043 1030460782 /nfs/dbraw/zinc/46/07/82/1030460782.db2.gz KZACPULNHWPPSR-IBGZPJMESA-N 1 0 362.518 2.679 20 10 FFCDRO CC[NH2+][C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782346 1030462136 /nfs/dbraw/zinc/46/21/36/1030462136.db2.gz MGQKRWHVEPSOSK-CYBMUJFWSA-N 1 0 370.444 2.554 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3CCC(=O)[O-])cc2)CC1 ZINC000841810325 1030482223 /nfs/dbraw/zinc/48/22/23/1030482223.db2.gz BENTYWYBEBKMJC-AZUAARDMSA-N 1 0 359.514 2.952 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841826622 1030489294 /nfs/dbraw/zinc/48/92/94/1030489294.db2.gz HBCVAPMEEZMLBN-HXUWFJFHSA-N 1 0 352.482 2.747 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841832774 1030493733 /nfs/dbraw/zinc/49/37/33/1030493733.db2.gz SLIMMRICGVGZGU-IBGZPJMESA-N 1 0 354.498 2.594 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000841857443 1030506082 /nfs/dbraw/zinc/50/60/82/1030506082.db2.gz ZCDHXLITJNGKSK-OXQOHEQNSA-N 1 0 352.482 2.774 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000841943316 1030556996 /nfs/dbraw/zinc/55/69/96/1030556996.db2.gz KDOVNMMJBQXLRP-QGZVFWFLSA-N 1 0 356.470 2.809 20 10 FFCDRO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142517268 1030566428 /nfs/dbraw/zinc/56/64/28/1030566428.db2.gz GZUIEOVJRGDUOF-OXQOHEQNSA-N 1 0 366.452 2.851 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)N1Cc1ccncc1 ZINC001203552034 1030758486 /nfs/dbraw/zinc/75/84/86/1030758486.db2.gz XYRSTVLXXJAHIA-OAQYLSRUSA-N 1 0 351.450 2.944 20 10 FFCDRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001203552247 1030763480 /nfs/dbraw/zinc/76/34/80/1030763480.db2.gz GFVDAZXBVVDSGW-UHFFFAOYSA-N 1 0 366.461 2.919 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001203556710 1030768127 /nfs/dbraw/zinc/76/81/27/1030768127.db2.gz UORLDELQLBFEDN-MRXNPFEDSA-N 1 0 350.422 2.695 20 10 FFCDRO COc1cccc(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1O ZINC001203590055 1030773131 /nfs/dbraw/zinc/77/31/31/1030773131.db2.gz SYOPXBASDZOUMA-INIZCTEOSA-N 1 0 359.470 2.906 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c1O ZINC001203592397 1030774277 /nfs/dbraw/zinc/77/42/77/1030774277.db2.gz FAOKABNGZFECIB-MAUKXSAKSA-N 1 0 370.424 2.886 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1O ZINC001203592963 1030774921 /nfs/dbraw/zinc/77/49/21/1030774921.db2.gz IRRRSGYWAJAWPF-YWZLYKJASA-N 1 0 374.412 2.747 20 10 FFCDRO CCOC(=O)c1cc2n(n1)CCCN(Cc1cccc(OCC)c1O)C2 ZINC001203604039 1030782979 /nfs/dbraw/zinc/78/29/79/1030782979.db2.gz ZTVZASFFNRPYJH-UHFFFAOYSA-N 1 0 359.426 2.570 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001203617933 1030789935 /nfs/dbraw/zinc/78/99/35/1030789935.db2.gz YUGQBXYCENDOAD-GOSISDBHSA-N 1 0 370.449 2.933 20 10 FFCDRO COc1ccc(CN2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203621632 1030789950 /nfs/dbraw/zinc/78/99/50/1030789950.db2.gz XZYYVXCVBDKCHS-MRXNPFEDSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001203623655 1030790416 /nfs/dbraw/zinc/79/04/16/1030790416.db2.gz VUJFNLSGYPWYDE-RHSMWYFYSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001203623867 1030791589 /nfs/dbraw/zinc/79/15/89/1030791589.db2.gz XIKNEQPPQXOCGU-XLIONFOSSA-N 1 0 372.440 2.877 20 10 FFCDRO COCCOc1ccccc1N1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203635048 1030798739 /nfs/dbraw/zinc/79/87/39/1030798739.db2.gz HPRSDJYEKIJAHZ-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO O=C(N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001203659034 1030814563 /nfs/dbraw/zinc/81/45/63/1030814563.db2.gz QEHCRLWZORRNFH-XCRHUMRWSA-N 1 0 364.873 2.551 20 10 FFCDRO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cc(OC)ccc1O ZINC001203681259 1030825012 /nfs/dbraw/zinc/82/50/12/1030825012.db2.gz RKYPHCBXFVZBTC-MRXNPFEDSA-N 1 0 353.459 2.971 20 10 FFCDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000842670378 1030889803 /nfs/dbraw/zinc/88/98/03/1030889803.db2.gz QCCHIIABEKGJFM-GOSISDBHSA-N 1 0 369.513 2.531 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(O)c3)[C@@H](C)C2)cc1 ZINC001203882424 1030955481 /nfs/dbraw/zinc/95/54/81/1030955481.db2.gz IQVPRADLSHYXBC-HNNXBMFYSA-N 1 0 370.449 2.591 20 10 FFCDRO CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(O)c(O)c1)CC2 ZINC001203879001 1030956179 /nfs/dbraw/zinc/95/61/79/1030956179.db2.gz ZCVXKWAQBPXLJM-UHFFFAOYSA-N 1 0 357.454 2.799 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)cc1 ZINC001203932945 1030992228 /nfs/dbraw/zinc/99/22/28/1030992228.db2.gz FBTVMDUXASHSIY-IBGZPJMESA-N 1 0 365.543 2.533 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3OCCN(C(C)=O)[C@H]3CC2)cc1 ZINC001203940762 1030996416 /nfs/dbraw/zinc/99/64/16/1030996416.db2.gz YPZCZLPWHWUTCN-SFTDATJTSA-N 1 0 359.514 2.745 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCN(C(C)=O)CC3)C2)cc1 ZINC001203939250 1030998066 /nfs/dbraw/zinc/99/80/66/1030998066.db2.gz MOEVCDSVUFCBLK-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000843057137 1031166133 /nfs/dbraw/zinc/16/61/33/1031166133.db2.gz DDWKYWCPFOHCFB-UHFFFAOYSA-N 1 0 355.394 2.778 20 10 FFCDRO Fc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000843118552 1031191151 /nfs/dbraw/zinc/19/11/51/1031191151.db2.gz MEJHHMKADKYUPU-NRFANRHFSA-N 1 0 355.457 2.809 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c(O)c1 ZINC001204274571 1031202854 /nfs/dbraw/zinc/20/28/54/1031202854.db2.gz PGSNPXWBLSHGTP-IBGZPJMESA-N 1 0 370.449 2.833 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328235 1031229508 /nfs/dbraw/zinc/22/95/08/1031229508.db2.gz RWDNYWKAVZXYAG-LJQANCHMSA-N 1 0 353.514 2.677 20 10 FFCDRO COc1cc(CN2CCCn3cnc(Cn4cccc4)c3C2)cc(O)c1O ZINC001204343478 1031237807 /nfs/dbraw/zinc/23/78/07/1031237807.db2.gz RRNVHPRZCGPKGG-UHFFFAOYSA-N 1 0 368.437 2.559 20 10 FFCDRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298794 1031294198 /nfs/dbraw/zinc/29/41/98/1031294198.db2.gz PWYLDSWMEKWXPJ-KRWDZBQOSA-N 1 0 357.502 2.751 20 10 FFCDRO CCc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000843299407 1031296659 /nfs/dbraw/zinc/29/66/59/1031296659.db2.gz STQOLGLPTXFFFB-KRWDZBQOSA-N 1 0 357.502 2.696 20 10 FFCDRO Cc1noc(-c2ccccc2C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000843299545 1031299162 /nfs/dbraw/zinc/29/91/62/1031299162.db2.gz XNJMNMYAGBZMFJ-SFHVURJKSA-N 1 0 365.437 2.541 20 10 FFCDRO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350210 1031340763 /nfs/dbraw/zinc/34/07/63/1031340763.db2.gz PKWLHNCCSLXRPQ-HNAYVOBHSA-N 1 0 365.477 2.926 20 10 FFCDRO COc1ccccc1[C@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350456 1031345009 /nfs/dbraw/zinc/34/50/09/1031345009.db2.gz RHPAGHWCRNWCPR-HNNXBMFYSA-N 1 0 353.466 2.784 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843362779 1031354995 /nfs/dbraw/zinc/35/49/95/1031354995.db2.gz QGXWUBJPSOSXRN-XJKSGUPXSA-N 1 0 369.465 2.675 20 10 FFCDRO COC(=O)c1cnc(-c2ccc(OCCC[NH+](C)C)nc2)c2ccn(C)c21 ZINC001205212393 1031601338 /nfs/dbraw/zinc/60/13/38/1031601338.db2.gz QGNZOEUOOVWILP-UHFFFAOYSA-N 1 0 368.437 2.752 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cnoc4)C3)C2)cc1 ZINC001205683625 1031932708 /nfs/dbraw/zinc/93/27/08/1031932708.db2.gz CQEZOHSDIHHXAU-HXUWFJFHSA-N 1 0 357.454 2.802 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC001219493781 1033668150 /nfs/dbraw/zinc/66/81/50/1033668150.db2.gz XYCPAWQKVWZSAA-KRWDZBQOSA-N 1 0 353.426 2.993 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)cc(C)c1O)CC2 ZINC001276965764 1033855397 /nfs/dbraw/zinc/85/53/97/1033855397.db2.gz ARJIBBVSKWRLJR-AWEZNQCLSA-N 1 0 367.287 2.811 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC001138216880 1033968149 /nfs/dbraw/zinc/96/81/49/1033968149.db2.gz OFHXUXUTKCOZCP-YADHBBJMSA-N 1 0 371.525 2.889 20 10 FFCDRO O=C(COC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1)NC1CC1 ZINC001138220433 1033973215 /nfs/dbraw/zinc/97/32/15/1033973215.db2.gz CXUBDYBJFNJNMQ-UHFFFAOYSA-N 1 0 371.525 2.937 20 10 FFCDRO Cc1c(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)c2ccccc2n1C ZINC001138255921 1034023999 /nfs/dbraw/zinc/02/39/99/1034023999.db2.gz XXFYVTPLKMHXSO-SLYNCCJLSA-N 1 0 369.509 2.802 20 10 FFCDRO Oc1c(C[NH+]2CCN(c3nccs3)CC2)cc2c3c1CCCN3CCC2 ZINC001138337613 1034167844 /nfs/dbraw/zinc/16/78/44/1034167844.db2.gz BUAWAYWUNHDQRP-UHFFFAOYSA-N 1 0 370.522 2.870 20 10 FFCDRO Oc1c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001138339926 1034170100 /nfs/dbraw/zinc/17/01/00/1034170100.db2.gz MSABIKWAAGYSKY-INIZCTEOSA-N 1 0 363.452 2.616 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339170 1034170265 /nfs/dbraw/zinc/17/02/65/1034170265.db2.gz BACSDEIGCJJRDC-PBHICJAKSA-N 1 0 358.482 2.722 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)[C@@H]1C ZINC001138340316 1034170406 /nfs/dbraw/zinc/17/04/06/1034170406.db2.gz TYZVHLQTPJBMTK-RHSMWYFYSA-N 1 0 358.482 2.865 20 10 FFCDRO CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277027156 1034175469 /nfs/dbraw/zinc/17/54/69/1034175469.db2.gz ZZCHKSRECBLQNR-FQEVSTJZSA-N 1 0 362.445 2.981 20 10 FFCDRO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138359012 1034194468 /nfs/dbraw/zinc/19/44/68/1034194468.db2.gz HITWRUJXCOGQHY-SFHVURJKSA-N 1 0 368.481 2.829 20 10 FFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138359043 1034195375 /nfs/dbraw/zinc/19/53/75/1034195375.db2.gz IQUWOMCYXPWWFR-GOSISDBHSA-N 1 0 368.481 2.911 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000831749097 1034256475 /nfs/dbraw/zinc/25/64/75/1034256475.db2.gz XXTSIMSWHGWVEP-SJORKVTESA-N 1 0 359.514 2.664 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3N)c2)CC1 ZINC001138500425 1034343473 /nfs/dbraw/zinc/34/34/73/1034343473.db2.gz KCKOPSVUYJLISK-UHFFFAOYSA-N 1 0 369.425 2.571 20 10 FFCDRO COc1cc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832266407 1034688529 /nfs/dbraw/zinc/68/85/29/1034688529.db2.gz FPQOMSJYHKBCMT-KRWDZBQOSA-N 1 0 357.454 2.508 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000832279305 1034697910 /nfs/dbraw/zinc/69/79/10/1034697910.db2.gz IPSUPPGZYGCLHO-FQEVSTJZSA-N 1 0 353.466 2.971 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]4CCC[C@H]34)cc2F)CC1 ZINC001226823458 1034853844 /nfs/dbraw/zinc/85/38/44/1034853844.db2.gz CMTBCKVYJCWNPW-JENIJYKNSA-N 1 0 374.504 2.955 20 10 FFCDRO COc1cc(CN2CCCC[C@@H]2c2noc(C)n2)cc(C[NH+](C)C)c1O ZINC001139256481 1035029942 /nfs/dbraw/zinc/02/99/42/1035029942.db2.gz DDHNUFIROCYKQO-MRXNPFEDSA-N 1 0 360.458 2.881 20 10 FFCDRO COc1cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc(C[NH+](C)C)c1O ZINC001139257106 1035030381 /nfs/dbraw/zinc/03/03/81/1035030381.db2.gz RNSBQYOTGDCMIX-INIZCTEOSA-N 1 0 364.486 2.769 20 10 FFCDRO CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139413648 1035097319 /nfs/dbraw/zinc/09/73/19/1035097319.db2.gz XIBXVYHPTGLHPU-YLJYHZDGSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4ccc(N(C)C)c(C)c4)C[C@H]3O2)n1 ZINC001139671880 1035193868 /nfs/dbraw/zinc/19/38/68/1035193868.db2.gz PYHXUCBJFFCGGG-JENIJYKNSA-N 1 0 356.470 2.584 20 10 FFCDRO Cc1cc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)ccc1N(C)C ZINC001139674159 1035195220 /nfs/dbraw/zinc/19/52/20/1035195220.db2.gz RZZXIFFPBDXCEE-UHFFFAOYSA-N 1 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Oc1cccc(Cl)c1CN1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001140338979 1035443847 /nfs/dbraw/zinc/44/38/47/1035443847.db2.gz BWFGVASYPRJTNH-SJORKVTESA-N 1 0 373.884 2.916 20 10 FFCDRO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345574 1035446721 /nfs/dbraw/zinc/44/67/21/1035446721.db2.gz WNZYFIJXEOHWAS-LJQANCHMSA-N 1 0 372.856 2.855 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001140467163 1035486142 /nfs/dbraw/zinc/48/61/42/1035486142.db2.gz NMFRDKQKAMUAKL-LJQANCHMSA-N 1 0 374.872 2.565 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CC[N@H+](Cc3c(C)cc(C)cc3O)C2)C1=O ZINC001277204321 1035525119 /nfs/dbraw/zinc/52/51/19/1035525119.db2.gz GRDISVAOUWSMHU-NRFANRHFSA-N 1 0 360.498 2.858 20 10 FFCDRO O=C1N(c2cccnc2)CC[C@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232257537 1035529246 /nfs/dbraw/zinc/52/92/46/1035529246.db2.gz HAKCWVWKVMZXET-IBGZPJMESA-N 1 0 373.840 2.775 20 10 FFCDRO CCC[N@H+]1C[C@H]2CN(Cc3c4ccccc4n(C)c3C(=O)OC)C[C@H]2C1 ZINC001232404342 1035654096 /nfs/dbraw/zinc/65/40/96/1035654096.db2.gz RLIVQZRCUCDKBE-IYBDPMFKSA-N 1 0 355.482 2.739 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001277661084 1035663898 /nfs/dbraw/zinc/66/38/98/1035663898.db2.gz FDBRUIMXMTUULZ-KPZWWZAWSA-N 1 0 352.862 2.974 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001277232351 1035677341 /nfs/dbraw/zinc/67/73/41/1035677341.db2.gz PBZFAAHCYNGHSD-SFHVURJKSA-N 1 0 361.829 2.658 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)c1 ZINC001140620276 1035745026 /nfs/dbraw/zinc/74/50/26/1035745026.db2.gz IRGSVLSDTDXYAN-YVWKXTFCSA-N 1 0 358.482 2.596 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140667919 1035827926 /nfs/dbraw/zinc/82/79/26/1035827926.db2.gz MJGXAOQNMNXFJH-VQTJNVASSA-N 1 0 365.468 2.671 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(O)c1 ZINC001232835925 1036087247 /nfs/dbraw/zinc/08/72/47/1036087247.db2.gz IIIWHEYEWNWWOV-JBACZVJFSA-N 1 0 369.465 2.664 20 10 FFCDRO COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841759 1036096861 /nfs/dbraw/zinc/09/68/61/1036096861.db2.gz RCKWSXZKHPOVMX-QGZVFWFLSA-N 1 0 357.454 2.905 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(I)cc3O)C[C@H]21 ZINC001232977773 1036208990 /nfs/dbraw/zinc/20/89/90/1036208990.db2.gz LSXNYDJHACKMAX-BXUZGUMPSA-N 1 0 372.250 2.523 20 10 FFCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(I)cc2O)C1 ZINC001232978444 1036212629 /nfs/dbraw/zinc/21/26/29/1036212629.db2.gz HRHVWZKTNHPCFL-ZDUSSCGKSA-N 1 0 360.239 2.523 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010324 1036242982 /nfs/dbraw/zinc/24/29/82/1036242982.db2.gz OQVPTKHEZBFZKU-CYBMUJFWSA-N 1 0 352.431 2.683 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c([O-])cc(Br)cc3F)CC[C@H]21 ZINC001233033943 1036274441 /nfs/dbraw/zinc/27/44/41/1036274441.db2.gz YWDAKUXNRVSMOU-IINYFYTJSA-N 1 0 371.250 2.737 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2Cc3cn(C)nc3[C@@H](COC)C2)c(O)c1 ZINC001140853210 1036286832 /nfs/dbraw/zinc/28/68/32/1036286832.db2.gz PLMMEZICFPQQQB-QGZVFWFLSA-N 1 0 358.486 2.718 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001233110389 1036355221 /nfs/dbraw/zinc/35/52/21/1036355221.db2.gz CUEYTCUPBPCAEQ-SWLSCSKDSA-N 1 0 367.287 2.906 20 10 FFCDRO COc1cc(O)c(CN2CCCC3(C2)OCCO3)cc1Br ZINC001233140478 1036389168 /nfs/dbraw/zinc/38/91/68/1036389168.db2.gz IUXJLWLDLYCNLC-UHFFFAOYSA-N 1 0 358.232 2.502 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc1Br ZINC001233141146 1036389860 /nfs/dbraw/zinc/38/98/60/1036389860.db2.gz BZNXLNNUZRGNRY-JQWIXIFHSA-N 1 0 354.244 2.964 20 10 FFCDRO COc1cc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1Br ZINC001233141546 1036392169 /nfs/dbraw/zinc/39/21/69/1036392169.db2.gz LTFLXRHUEDWTHO-MLGOLLRUSA-N 1 0 355.276 2.547 20 10 FFCDRO CC(C)Oc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001536531655 1069999124 /nfs/dbraw/zinc/99/91/24/1069999124.db2.gz HZDOOJMKDFISBR-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC001233286885 1036493232 /nfs/dbraw/zinc/49/32/32/1036493232.db2.gz MXNUHMLUXQJTAN-UHFFFAOYSA-N 1 0 368.481 2.506 20 10 FFCDRO CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140950173 1036545238 /nfs/dbraw/zinc/54/52/38/1036545238.db2.gz UAWCUGRYCHWBSH-SFHVURJKSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)c(O)c1 ZINC001140949951 1036546092 /nfs/dbraw/zinc/54/60/92/1036546092.db2.gz LBVBHSUXOZGGIY-YLJYHZDGSA-N 1 0 370.449 2.657 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c(O)c1 ZINC001140950526 1036548668 /nfs/dbraw/zinc/54/86/68/1036548668.db2.gz XGKQPEFBMCTNPI-RTBURBONSA-N 1 0 351.450 2.861 20 10 FFCDRO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4ccc(C)cc4O)C[C@@H]3C2)cs1 ZINC001140950443 1036548772 /nfs/dbraw/zinc/54/87/72/1036548772.db2.gz UGMZIIFANKKQSW-FXAWDEMLSA-N 1 0 373.522 2.798 20 10 FFCDRO CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001229231148 1036566590 /nfs/dbraw/zinc/56/65/90/1036566590.db2.gz LZYDTAWNGHQMRK-RTBURBONSA-N 1 0 361.530 2.862 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(c3ccc4oc(C(N)=O)cc4c3)CC2)c(O)c1 ZINC001140958254 1036567522 /nfs/dbraw/zinc/56/75/22/1036567522.db2.gz WCLNSTGVIRPINL-UHFFFAOYSA-N 1 0 365.433 2.868 20 10 FFCDRO Oc1c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cccc1C(F)(F)F ZINC001233418044 1036610590 /nfs/dbraw/zinc/61/05/90/1036610590.db2.gz QVGNZTIWLZYPQT-GASCZTMLSA-N 1 0 356.388 2.706 20 10 FFCDRO O=C1OC2(CN1c1ccccc1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233485800 1036653061 /nfs/dbraw/zinc/65/30/61/1036653061.db2.gz LAEQFSLPNZDIMJ-UHFFFAOYSA-N 1 0 370.405 2.795 20 10 FFCDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233486132 1036654096 /nfs/dbraw/zinc/65/40/96/1036654096.db2.gz ZMJQVWXCFONLBX-AGUYFDCRSA-N 1 0 364.442 2.824 20 10 FFCDRO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233486344 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368.424 2.693 20 10 FFCDRO Cc1cc(O)c(CN2CCC[C@]23CCN(C)C3=O)cc1Br ZINC001277426546 1036950503 /nfs/dbraw/zinc/95/05/03/1036950503.db2.gz HLKAAIVTGRIECO-MRXNPFEDSA-N 1 0 353.260 2.660 20 10 FFCDRO CCOC(=O)CN1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234989405 1037283812 /nfs/dbraw/zinc/28/38/12/1037283812.db2.gz DBRDTYKKUNLTLW-UHFFFAOYSA-N 1 0 354.450 2.740 20 10 FFCDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC001231257980 1037514169 /nfs/dbraw/zinc/51/41/69/1037514169.db2.gz LNNROSZKHYYEPR-GFCCVEGCSA-N 1 0 369.397 2.844 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001207666350 1037641451 /nfs/dbraw/zinc/64/14/51/1037641451.db2.gz XIAOWNDRMRMEID-FQEVSTJZSA-N 1 0 364.486 2.977 20 10 FFCDRO CC[N@H+]1C[C@H]2CN(Cc3c(Br)ccc(OC)c3O)C[C@H]2C1 ZINC001231555966 1037680011 /nfs/dbraw/zinc/68/00/11/1037680011.db2.gz VPWQYLGUYLURLX-TXEJJXNPSA-N 1 0 355.276 2.547 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC001231556503 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1 0 364.442 2.690 20 10 FFCDRO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001231634320 1037756799 /nfs/dbraw/zinc/75/67/99/1037756799.db2.gz LEPJGCFROZKSOX-UHFFFAOYSA-N 1 0 371.433 2.770 20 10 FFCDRO COc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c(O)cc1O ZINC001231636551 1037758371 /nfs/dbraw/zinc/75/83/71/1037758371.db2.gz XYJMEAKTCQIKTK-AEFFLSMTSA-N 1 0 354.450 2.813 20 10 FFCDRO COc1cc(OC2CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)ccn1 ZINC001231638642 1037762583 /nfs/dbraw/zinc/76/25/83/1037762583.db2.gz AMHHNIVKMDUVRD-UHFFFAOYSA-N 1 0 360.410 2.553 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)c(O)c1 ZINC001231845073 1037942802 /nfs/dbraw/zinc/94/28/02/1037942802.db2.gz UAPMQMDJIRIYMY-DBXWQHBBSA-N 1 0 372.509 2.762 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)c(O)c1 ZINC001231845387 1037943584 /nfs/dbraw/zinc/94/35/84/1037943584.db2.gz ZTNKRXSSBLSPBW-GGPKGHCWSA-N 1 0 372.509 2.620 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001231847624 1037945087 /nfs/dbraw/zinc/94/50/87/1037945087.db2.gz AOYPVUXKUORUHQ-JKSUJKDBSA-N 1 0 364.383 2.989 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001231852064 1037949400 /nfs/dbraw/zinc/94/94/00/1037949400.db2.gz QDZMWAZGZZOUHY-YWZLYKJASA-N 1 0 361.486 2.860 20 10 FFCDRO COc1cc(O)c(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC001236240897 1038000238 /nfs/dbraw/zinc/00/02/38/1038000238.db2.gz NJVNHLWMHOHPAI-GFCCVEGCSA-N 1 0 355.276 2.880 20 10 FFCDRO O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2Cc1c(O)cc(O)cc1O ZINC001276557594 1038065811 /nfs/dbraw/zinc/06/58/11/1038065811.db2.gz MSVJEFVIZWUZHV-FQEVSTJZSA-N 1 0 360.454 2.561 20 10 FFCDRO COc1cc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)cc1Br ZINC001236748168 1038232211 /nfs/dbraw/zinc/23/22/11/1038232211.db2.gz MCDUEAZEDMQFFA-LBPRGKRZSA-N 1 0 370.165 2.662 20 10 FFCDRO COc1cc(CN2CCOC3(CCOCC3)C2)c(O)cc1Br ZINC001236749313 1038232882 /nfs/dbraw/zinc/23/28/82/1038232882.db2.gz BCGRILDYQFCYAG-UHFFFAOYSA-N 1 0 372.259 2.545 20 10 FFCDRO COc1cc(C[N@H+](C)C2CCN(C(C)=O)CC2)c(O)cc1Br ZINC001236749279 1038233913 /nfs/dbraw/zinc/23/39/13/1038233913.db2.gz AWLICSKIJDTFGH-UHFFFAOYSA-N 1 0 371.275 2.606 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236755365 1038242790 /nfs/dbraw/zinc/24/27/90/1038242790.db2.gz BZXYJUDFMXBBAO-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO O=C1CN(Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]2CCCN12 ZINC001236784280 1038267053 /nfs/dbraw/zinc/26/70/53/1038267053.db2.gz BDUZRIPRRCSLTE-SFHVURJKSA-N 1 0 352.434 2.778 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(O)c1 ZINC001236810109 1038283211 /nfs/dbraw/zinc/28/32/11/1038283211.db2.gz VDFNCLUAOQVZLS-JBACZVJFSA-N 1 0 370.449 2.915 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)n1 ZINC001236820313 1038292023 /nfs/dbraw/zinc/29/20/23/1038292023.db2.gz LFXMFKAKNXZBGL-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)CN1c1cncnc1 ZINC001236842476 1038303622 /nfs/dbraw/zinc/30/36/22/1038303622.db2.gz VNPOYWCCMLUPET-JOCHJYFZSA-N 1 0 374.444 2.964 20 10 FFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001278022997 1038331195 /nfs/dbraw/zinc/33/11/95/1038331195.db2.gz GRZLVJYEOPCBPL-HUUCEWRRSA-N 1 0 370.852 2.787 20 10 FFCDRO CCOCCN1CC[C@]2(CC[N@H+](Cc3c(O)ccc(F)c3Cl)C2)C1=O ZINC001278023302 1038333751 /nfs/dbraw/zinc/33/37/51/1038333751.db2.gz RHQLYGPIPBHFBV-SFHVURJKSA-N 1 0 370.852 2.646 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236920167 1038354800 /nfs/dbraw/zinc/35/48/00/1038354800.db2.gz RYQZTRVNTBQXQM-HNNXBMFYSA-N 1 0 352.862 2.704 20 10 FFCDRO CC(C)C[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236924567 1038357757 /nfs/dbraw/zinc/35/77/57/1038357757.db2.gz LZECOKWZYKIBSA-UHFFFAOYSA-N 1 0 351.922 2.950 20 10 FFCDRO CN(Cc1cnc2ccccn12)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236931782 1038363066 /nfs/dbraw/zinc/36/30/66/1038363066.db2.gz LOWHMYGUUIGPBC-UHFFFAOYSA-N 1 0 367.472 2.857 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(Oc4ccc(F)cc4)C3)c(F)c2)CC1 ZINC001236941958 1038369971 /nfs/dbraw/zinc/36/99/71/1038369971.db2.gz HVCVQOAWVLANBF-UHFFFAOYSA-N 1 0 373.447 2.980 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c(O)c1 ZINC001237042662 1038418731 /nfs/dbraw/zinc/41/87/31/1038418731.db2.gz JLRMZWFHFKTSKC-FPOVZHCZSA-N 1 0 370.449 2.998 20 10 FFCDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1ccc(N(C)C)c3ccccc13)CC2 ZINC001237062580 1038430513 /nfs/dbraw/zinc/43/05/13/1038430513.db2.gz NMDDORURLUWCRF-IRLDBZIGSA-N 1 0 367.493 2.633 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237074044 1038437053 /nfs/dbraw/zinc/43/70/53/1038437053.db2.gz ZCWZDASMGIOIKK-WDEREUQCSA-N 1 0 372.259 2.794 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256334548 1038483428 /nfs/dbraw/zinc/48/34/28/1038483428.db2.gz JIIZEZXILTYBLI-QRWLVFNGSA-N 1 0 360.498 2.859 20 10 FFCDRO CC[C@H](CCC(=O)OC)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001208792230 1038532702 /nfs/dbraw/zinc/53/27/02/1038532702.db2.gz NVIRPTSOMGHEGJ-MRXNPFEDSA-N 1 0 364.486 2.805 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](CCCc3ccncc3)CC2)cc1 ZINC001209189690 1038707613 /nfs/dbraw/zinc/70/76/13/1038707613.db2.gz PWRCRLRMKWGRBC-UHFFFAOYSA-N 1 0 355.482 2.862 20 10 FFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC001251739543 1039281089 /nfs/dbraw/zinc/28/10/89/1039281089.db2.gz DYWIUSIOZTWPOD-OAHLLOKOSA-N 1 0 366.255 2.993 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3COC4(C[NH2+]C4)C3)n2)cc1 ZINC001247873359 1040010814 /nfs/dbraw/zinc/01/08/14/1040010814.db2.gz NUATZTDVHGDZSJ-INIZCTEOSA-N 1 0 350.422 2.990 20 10 FFCDRO Cc1cc(C)cc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001259525860 1040091281 /nfs/dbraw/zinc/09/12/81/1040091281.db2.gz FDWOZTRQFXXYBS-UHFFFAOYSA-N 1 0 373.522 2.534 20 10 FFCDRO COc1cc(I)cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1O ZINC001248401258 1040258347 /nfs/dbraw/zinc/25/83/47/1040258347.db2.gz UBZVPYRWSOQJIP-JOYOIKCWSA-N 1 0 359.207 2.990 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(-n4nccn4)cc3)CC2)cc1 ZINC001248772116 1040413428 /nfs/dbraw/zinc/41/34/28/1040413428.db2.gz JCQMRKZWFWPCNU-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)c(O)c1 ZINC001249201238 1040626206 /nfs/dbraw/zinc/62/62/06/1040626206.db2.gz LSHKFXHQRCPWSD-GOSISDBHSA-N 1 0 356.422 2.546 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c(O)c1 ZINC001249201423 1040626977 /nfs/dbraw/zinc/62/69/77/1040626977.db2.gz SDLBZBQRTCTFTQ-UHFFFAOYSA-N 1 0 359.422 2.757 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCCC(=O)c2cccnc2)c(O)c1 ZINC001249208580 1040627729 /nfs/dbraw/zinc/62/77/29/1040627729.db2.gz XIKCPIJVLSGMIP-UHFFFAOYSA-N 1 0 356.422 2.598 20 10 FFCDRO O=C(C[NH2+][C@@H]1Cc2ccc(Br)cc2C1)c1ccc(O)c(O)c1 ZINC001254268576 1040650611 /nfs/dbraw/zinc/65/06/11/1040650611.db2.gz GAVSGSPFVFQGTF-CQSZACIVSA-N 1 0 362.223 2.800 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001278551581 1041114107 /nfs/dbraw/zinc/11/41/07/1041114107.db2.gz KIFVSAQCVIOHTA-IYBDPMFKSA-N 1 0 356.426 2.878 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(O)cc1Br ZINC001250120264 1041120060 /nfs/dbraw/zinc/12/00/60/1041120060.db2.gz ADCQIBCFSXBYDT-ZDUSSCGKSA-N 1 0 356.260 2.579 20 10 FFCDRO COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)ccc1O ZINC001278568820 1041203830 /nfs/dbraw/zinc/20/38/30/1041203830.db2.gz ISJSLNKIYAMIDT-ALOPSCKCSA-N 1 0 354.878 2.751 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001278576004 1041234104 /nfs/dbraw/zinc/23/41/04/1041234104.db2.gz CDXLKTYMKIMFQS-FQEVSTJZSA-N 1 0 356.470 2.612 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c(O)c1OC ZINC001262360343 1041657233 /nfs/dbraw/zinc/65/72/33/1041657233.db2.gz DEDNCXLKPVTELW-UHFFFAOYSA-N 1 0 374.437 2.652 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nn2cnc3ccccc32)[NH+](C)C)cc1 ZINC001263026055 1042043624 /nfs/dbraw/zinc/04/36/24/1042043624.db2.gz AFAHTJJNEJDIQB-IBGZPJMESA-N 1 0 366.469 2.658 20 10 FFCDRO O=C(/C=C\c1cncc(F)c1)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001263228924 1042185752 /nfs/dbraw/zinc/18/57/52/1042185752.db2.gz YOPQULXOXTUKSH-CKBPIOJVSA-N 1 0 367.424 2.743 20 10 FFCDRO Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)Nc2cccnc2)C3)c1O ZINC001279291292 1042986215 /nfs/dbraw/zinc/98/62/15/1042986215.db2.gz ZBBXWKQLMVLWFG-UHFFFAOYSA-N 1 0 352.438 2.835 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)NC(C)C)C3)C2)c1O ZINC001279314573 1042996791 /nfs/dbraw/zinc/99/67/91/1042996791.db2.gz WPJQBSRINKUVBZ-FQEVSTJZSA-N 1 0 361.486 2.812 20 10 FFCDRO CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)c3[O-])C[C@H]2CC1 ZINC001279441840 1043117172 /nfs/dbraw/zinc/11/71/72/1043117172.db2.gz HFISXUWJAKJVAD-IYBDPMFKSA-N 1 0 351.922 2.751 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2cc(F)c(F)cc2O)c1 ZINC001237454057 1043175498 /nfs/dbraw/zinc/17/54/98/1043175498.db2.gz VJYKSWKVSYVYMA-KRWDZBQOSA-N 1 0 362.376 2.604 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001237485731 1043199339 /nfs/dbraw/zinc/19/93/39/1043199339.db2.gz QWZBOYNHRDQMPK-WMZOPIPTSA-N 1 0 362.470 2.911 20 10 FFCDRO Oc1cc(O)c(CN2CC[C@H]3C[N@H+](CCCC(F)(F)F)C[C@H]32)cc1O ZINC001279515001 1043211164 /nfs/dbraw/zinc/21/11/64/1043211164.db2.gz WUHPVQQZSQZALR-WCQYABFASA-N 1 0 360.376 2.652 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)cc(OC)c1O)C2 ZINC001237671810 1043300859 /nfs/dbraw/zinc/30/08/59/1043300859.db2.gz BLXDUAFTFISRBP-MGPUTAFESA-N 1 0 365.470 2.817 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676511 1043304897 /nfs/dbraw/zinc/30/48/97/1043304897.db2.gz PDWSIXYPPQUGOD-ZDUSSCGKSA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c(O)c(OC)c1 ZINC001237678489 1043308150 /nfs/dbraw/zinc/30/81/50/1043308150.db2.gz OJSFMLYPOGRXHZ-UHFFFAOYSA-N 1 0 363.845 2.780 20 10 FFCDRO [O-]c1c(I)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001237788059 1043357559 /nfs/dbraw/zinc/35/75/59/1043357559.db2.gz VPCIJSHUARCBDT-BXUZGUMPSA-N 1 0 373.234 2.998 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(CN(C(=O)Nc4cccnc4)C3)C2)c(O)c1 ZINC001279663933 1043425353 /nfs/dbraw/zinc/42/53/53/1043425353.db2.gz KUBKYJGUWSKJDI-UHFFFAOYSA-N 1 0 352.438 2.699 20 10 FFCDRO C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])[C@@H]2C1 ZINC001279664935 1043427686 /nfs/dbraw/zinc/42/76/86/1043427686.db2.gz GJLKBNQDQTTZEF-BLLLJJGKSA-N 1 0 358.313 2.767 20 10 FFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001279683276 1043462128 /nfs/dbraw/zinc/46/21/28/1043462128.db2.gz DHBAUPFYPDNFMV-UHFFFAOYSA-N 1 0 372.868 2.703 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)c1O ZINC001238062020 1043507746 /nfs/dbraw/zinc/50/77/46/1043507746.db2.gz SHNDWYTZIJKYGR-HXUWFJFHSA-N 1 0 372.444 2.592 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c1O ZINC001238061733 1043509609 /nfs/dbraw/zinc/50/96/09/1043509609.db2.gz RLNDGLMHCWMEGR-BCDXTJNWSA-N 1 0 358.413 2.817 20 10 FFCDRO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238066099 1043512224 /nfs/dbraw/zinc/51/22/24/1043512224.db2.gz IGYZPNDERJOVHF-HOTGVXAUSA-N 1 0 368.449 2.906 20 10 FFCDRO CO[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001238068446 1043515744 /nfs/dbraw/zinc/51/57/44/1043515744.db2.gz YVCMPPXFVWJZRU-LSDHHAIUSA-N 1 0 354.422 2.564 20 10 FFCDRO O=C([C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2)N1CC=CC1 ZINC001279726005 1043535392 /nfs/dbraw/zinc/53/53/92/1043535392.db2.gz GKANQXOEDSEWGX-KRWDZBQOSA-N 1 0 356.466 2.879 20 10 FFCDRO O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2)N1CCCC12CC2 ZINC001279728202 1043541747 /nfs/dbraw/zinc/54/17/47/1043541747.db2.gz YLZRKOFWHWYTFK-HGKCTWBKSA-N 1 0 356.466 2.711 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(F)F)cc1 ZINC001279743196 1043572278 /nfs/dbraw/zinc/57/22/78/1043572278.db2.gz INSKLFLMLRFACP-JLVBRIDZSA-N 1 0 351.441 2.592 20 10 FFCDRO FC(F)(F)CCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001279765301 1043608887 /nfs/dbraw/zinc/60/88/87/1043608887.db2.gz WAWUUWAPCPROPQ-GASCZTMLSA-N 1 0 372.387 2.690 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@H]3C[C@@H]([NH3+])C3)cc2)cc1 ZINC001238398055 1043685238 /nfs/dbraw/zinc/68/52/38/1043685238.db2.gz GFSLXFHJEWTNNI-YFRZNXDFSA-N 1 0 373.482 2.936 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(N)=O)O[C@H]3C2)cc1 ZINC001279853090 1043776933 /nfs/dbraw/zinc/77/69/33/1043776933.db2.gz ADTMKRIJZOJWAY-RLLQIKCJSA-N 1 0 353.466 2.559 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cnn3ccccc23)[NH+](C)C)cc1 ZINC001311045307 1043787467 /nfs/dbraw/zinc/78/74/67/1043787467.db2.gz DOZFVOKXMCGXBA-LJQANCHMSA-N 1 0 366.469 2.825 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)cc1 ZINC001311630306 1043951637 /nfs/dbraw/zinc/95/16/37/1043951637.db2.gz NSGDWPQBWUUQEW-UHFFFAOYSA-N 1 0 355.486 2.993 20 10 FFCDRO O=C(Nc1cccc2c1OCO2)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001279969145 1044005056 /nfs/dbraw/zinc/00/50/56/1044005056.db2.gz VHCQDKLLPKCKIM-VLIAUNLRSA-N 1 0 352.390 2.724 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C3CC(F)(F)C3)C2)c(O)c1 ZINC001280046036 1044132527 /nfs/dbraw/zinc/13/25/27/1044132527.db2.gz GCJONZZPRJLSSD-OAHLLOKOSA-N 1 0 350.409 2.779 20 10 FFCDRO CCOC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001312631929 1044147226 /nfs/dbraw/zinc/14/72/26/1044147226.db2.gz LQHVPQKBPRXHMU-OALUTQOASA-N 1 0 364.534 2.716 20 10 FFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(O)ccc1O)N1CCCC12CC2 ZINC001280084089 1044185105 /nfs/dbraw/zinc/18/51/05/1044185105.db2.gz UZNMAVRWTNXYJO-SPLQCWDRSA-N 1 0 356.466 2.757 20 10 FFCDRO Cc1noc(NC(=O)C23CC([NH2+]Cc4ccc5c(c4)CCO5)(C2)C3)c1C ZINC001280316024 1044595640 /nfs/dbraw/zinc/59/56/40/1044595640.db2.gz SHAXMYCYPPMSIP-UHFFFAOYSA-N 1 0 353.422 2.877 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2ccc(N3CCCC3)cc2)(N2CCOCC2)C1 ZINC001321181761 1045578160 /nfs/dbraw/zinc/57/81/60/1045578160.db2.gz PAGLQIPWKOBYRD-UHFFFAOYSA-N 1 0 373.541 2.646 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(=O)NCC(F)(F)F ZINC001321196541 1045583499 /nfs/dbraw/zinc/58/34/99/1045583499.db2.gz ORIRIDAAQQYEDS-SECBINFHSA-N 1 0 371.325 2.928 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001323475745 1045605230 /nfs/dbraw/zinc/60/52/30/1045605230.db2.gz MVLZEOWOVDCTCE-UHFFFAOYSA-N 1 0 352.232 2.865 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)cc2F)CC1 ZINC001324750452 1046205796 /nfs/dbraw/zinc/20/57/96/1046205796.db2.gz ILYBZPBBJMVEBC-FQEVSTJZSA-N 1 0 374.548 2.885 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC(c4ccncn4)CC3)cc2F)CC1 ZINC001325242415 1046433219 /nfs/dbraw/zinc/43/32/19/1046433219.db2.gz QABHFJNIPQHZDS-UHFFFAOYSA-N 1 0 369.488 2.747 20 10 FFCDRO [NH3+]CCCC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001325320486 1046466567 /nfs/dbraw/zinc/46/65/67/1046466567.db2.gz QQHPVIVLOJAROQ-UHFFFAOYSA-N 1 0 352.070 2.746 20 10 FFCDRO CCOC(=O)CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001327194917 1047229908 /nfs/dbraw/zinc/22/99/08/1047229908.db2.gz JBHXCFXRDBPUCV-UHFFFAOYSA-N 1 0 365.493 2.741 20 10 FFCDRO Cc1cc(Cl)nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001288334471 1047449460 /nfs/dbraw/zinc/44/94/60/1047449460.db2.gz IKZUMZVFXGWRAO-UHFFFAOYSA-N 1 0 358.873 2.725 20 10 FFCDRO C[NH2+][C@@H](C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001327487587 1047918796 /nfs/dbraw/zinc/91/87/96/1047918796.db2.gz SPWLLYVFOPUGGU-KBPBESRZSA-N 1 0 370.444 2.554 20 10 FFCDRO [NH3+][C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001328605677 1048378407 /nfs/dbraw/zinc/37/84/07/1048378407.db2.gz BUBJGPNPSNKVLJ-XOKHGSTOSA-N 1 0 367.440 2.891 20 10 FFCDRO CN(C)c1cc(F)c(CNCc2ccnc(OCC[NH+](C)C)c2)cc1F ZINC001329155490 1048599016 /nfs/dbraw/zinc/59/90/16/1048599016.db2.gz BHUZNEMLWSKBQF-UHFFFAOYSA-N 1 0 364.440 2.656 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC001333826040 1049133881 /nfs/dbraw/zinc/13/38/81/1049133881.db2.gz KLYKNQGEXUAYDC-MQMHXKEQSA-N 1 0 366.458 2.802 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](Cc3ccc(N(C)C)cc3C)CC2)CCC1 ZINC001333896541 1049161282 /nfs/dbraw/zinc/16/12/82/1049161282.db2.gz YGNRYMRDUZMWGX-UHFFFAOYSA-N 1 0 360.498 2.731 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)CCC1 ZINC001334356070 1049385521 /nfs/dbraw/zinc/38/55/21/1049385521.db2.gz KBPBHCABTMJJJO-UHFFFAOYSA-N 1 0 372.509 2.957 20 10 FFCDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 ZINC001295028914 1049865798 /nfs/dbraw/zinc/86/57/98/1049865798.db2.gz ZZQHCZUSKJCEGL-HNNXBMFYSA-N 1 0 367.409 2.818 20 10 FFCDRO CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001339767057 1050185992 /nfs/dbraw/zinc/18/59/92/1050185992.db2.gz XXFIZJRXAHNXFN-UHFFFAOYSA-N 1 0 369.513 2.708 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001341569506 1050196953 /nfs/dbraw/zinc/19/69/53/1050196953.db2.gz PQNGAUGRPMYYFC-LJQANCHMSA-N 1 0 362.537 2.741 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341716141 1050335403 /nfs/dbraw/zinc/33/54/03/1050335403.db2.gz DNLZHXKGPRLEFK-LPMFXHHGSA-N 1 0 365.424 2.515 20 10 FFCDRO Cc1ccc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)c(O)c1O ZINC001301717358 1050966550 /nfs/dbraw/zinc/96/65/50/1050966550.db2.gz WDVDWLMYLAAVBF-UHFFFAOYSA-N 1 0 354.450 2.800 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[NH+](C)C)cc1 ZINC001340611151 1050992792 /nfs/dbraw/zinc/99/27/92/1050992792.db2.gz SSOCTHUPIXXIHJ-ZRNYENFQSA-N 1 0 374.529 2.612 20 10 FFCDRO COc1cc(N2CC[NH+](CCCc3cccnc3)CC2)cc(OC)c1OC ZINC001341093256 1051440443 /nfs/dbraw/zinc/44/04/43/1051440443.db2.gz MQRHPTPBJFKQBN-UHFFFAOYSA-N 1 0 371.481 2.862 20 10 FFCDRO OCc1csc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC001308239451 1052436136 /nfs/dbraw/zinc/43/61/36/1052436136.db2.gz NWZFNJNIHXWASP-UHFFFAOYSA-N 1 0 369.437 2.995 20 10 FFCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308434811 1052456351 /nfs/dbraw/zinc/45/63/51/1052456351.db2.gz ZDAIDVDKRWXNBF-IRLDBZIGSA-N 1 0 354.494 2.861 20 10 FFCDRO Oc1cc(F)c(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC001308533384 1052465922 /nfs/dbraw/zinc/46/59/22/1052465922.db2.gz VKNKWURSMGGXHH-UHFFFAOYSA-N 1 0 366.383 2.978 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)cc1F ZINC001308549282 1052468051 /nfs/dbraw/zinc/46/80/51/1052468051.db2.gz FVGAYBLZIDGCHD-GFCCVEGCSA-N 1 0 367.266 2.955 20 10 FFCDRO C[N@H+](Cc1cc(-c2ccccn2)n[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC001308646091 1052481758 /nfs/dbraw/zinc/48/17/58/1052481758.db2.gz ZXZRHDUJUMDIRA-UHFFFAOYSA-N 1 0 363.465 2.940 20 10 FFCDRO Cn1c(=O)oc2ccc(C[NH2+]Cc3ccc(Br)cc3O)cc21 ZINC001308894854 1052513691 /nfs/dbraw/zinc/51/36/91/1052513691.db2.gz KDYGCRQFAXJOFQ-UHFFFAOYSA-N 1 0 363.211 2.889 20 10 FFCDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001344077299 1052582822 /nfs/dbraw/zinc/58/28/22/1052582822.db2.gz XTEZKUHNKPGMIV-UHFFFAOYSA-N 1 0 373.522 2.827 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3nccs3)cc2F)CC1 ZINC001345719311 1052586779 /nfs/dbraw/zinc/58/67/79/1052586779.db2.gz ZAWBCTYOFTXYCV-AATRIKPKSA-N 1 0 374.485 2.754 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N2CCOCC2)cc1 ZINC001346237588 1052800257 /nfs/dbraw/zinc/80/02/57/1052800257.db2.gz FPHCCJQBZASNHU-FKPGQJDZSA-N 1 0 371.525 2.821 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847323306 1055496720 /nfs/dbraw/zinc/49/67/20/1055496720.db2.gz DUTBNFREOUHGQS-PMACEKPBSA-N 1 0 354.498 2.879 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001350554080 1055831763 /nfs/dbraw/zinc/83/17/63/1055831763.db2.gz ZVVPAOYEIRCXRX-UHFFFAOYSA-N 1 0 358.461 2.613 20 10 FFCDRO CC(C)c1nnsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001339035346 1056034570 /nfs/dbraw/zinc/03/45/70/1056034570.db2.gz AVZTUKUDCCZNAQ-HNNXBMFYSA-N 1 0 361.515 2.760 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C2)cc1 ZINC001353330422 1056301668 /nfs/dbraw/zinc/30/16/68/1056301668.db2.gz SJQQVJDBYWCIQM-FZMZJTMJSA-N 1 0 368.346 2.812 20 10 FFCDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000849230059 1056804986 /nfs/dbraw/zinc/80/49/86/1056804986.db2.gz AASZQPUPBNFQMM-LAUBAEHRSA-N 1 0 367.493 2.785 20 10 FFCDRO COc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000849350398 1056837306 /nfs/dbraw/zinc/83/73/06/1056837306.db2.gz YJMAABGTUWCYLT-IAGOWNOFSA-N 1 0 360.429 2.784 20 10 FFCDRO Cc1cc(C(=O)NOC[C@H](C)[NH3+])c(C)n1-c1ccccc1Br ZINC001354065065 1058552325 /nfs/dbraw/zinc/55/23/25/1058552325.db2.gz ZBBXFXSFKTXUGM-JTQLQIEISA-N 1 0 366.259 2.865 20 10 FFCDRO C[C@@H]1CO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001545632432 1071823119 /nfs/dbraw/zinc/82/31/19/1071823119.db2.gz LTOFCXSICBMPIY-XGWLTEMNSA-N 1 0 352.862 2.551 20 10 FFCDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC001200724104 1059247065 /nfs/dbraw/zinc/24/70/65/1059247065.db2.gz ROKKYEKPPLAHDB-UHFFFAOYSA-N 1 0 365.521 2.712 20 10 FFCDRO Cc1cc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c(C)n1-c1ccccn1 ZINC001454285688 1059487939 /nfs/dbraw/zinc/48/79/39/1059487939.db2.gz LJHLMADYVZYFDA-OYRHEFFESA-N 1 0 352.482 2.903 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H]4C[C@H](C)C[N@@H+]4C3)C2)cc1 ZINC001520258594 1059540428 /nfs/dbraw/zinc/54/04/28/1059540428.db2.gz RUSJWEUZRFSWRQ-JRBPQWBISA-N 1 0 371.525 2.758 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001355262965 1060051310 /nfs/dbraw/zinc/05/13/10/1060051310.db2.gz FKDDKVHHXMJTGW-NSHGMRRFSA-N 1 0 358.530 2.933 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H]3CCc4ccccc43)cc2)CC1 ZINC001355312216 1060104683 /nfs/dbraw/zinc/10/46/83/1060104683.db2.gz JPKYARQSQRVWIL-IBGZPJMESA-N 1 0 370.518 2.741 20 10 FFCDRO Cc1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001510675125 1060262162 /nfs/dbraw/zinc/26/21/62/1060262162.db2.gz SILBOLHVSCUKRI-UHFFFAOYSA-N 1 0 370.545 2.976 20 10 FFCDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000848560272 1060276188 /nfs/dbraw/zinc/27/61/88/1060276188.db2.gz CEPCIITZDRJHAV-IBGZPJMESA-N 1 0 369.440 2.705 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2oc(C3CC3)nc2C(F)F)cc1 ZINC001521144509 1060428922 /nfs/dbraw/zinc/42/89/22/1060428922.db2.gz CRGMHUUPRMPHOE-CYBMUJFWSA-N 1 0 364.396 2.985 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)C1 ZINC001461088674 1061207476 /nfs/dbraw/zinc/20/74/76/1061207476.db2.gz ZLSLHDAESOZEQJ-GOSISDBHSA-N 1 0 363.465 2.554 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)c1 ZINC001462261617 1061559687 /nfs/dbraw/zinc/55/96/87/1061559687.db2.gz OLYRTNBNVYJTBV-IBGZPJMESA-N 1 0 371.481 2.839 20 10 FFCDRO COc1cc(C)c(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC001462653196 1061707462 /nfs/dbraw/zinc/70/74/62/1061707462.db2.gz JLIRPWHNUAZILB-LLVKDONJSA-N 1 0 366.259 2.773 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC001477823159 1061812091 /nfs/dbraw/zinc/81/20/91/1061812091.db2.gz HVSVHSVZCSFUFH-QUCCMNQESA-N 1 0 356.514 2.768 20 10 FFCDRO Cc1cc(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001470848984 1064468007 /nfs/dbraw/zinc/46/80/07/1064468007.db2.gz AGDWPMJCFWHSEN-KRWDZBQOSA-N 1 0 369.509 2.721 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001474030787 1065443008 /nfs/dbraw/zinc/44/30/08/1065443008.db2.gz BAKOBWDBEPETGT-SUMWQHHRSA-N 1 0 351.454 2.504 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC001474030786 1065443517 /nfs/dbraw/zinc/44/35/17/1065443517.db2.gz BAKOBWDBEPETGT-GUYCJALGSA-N 1 0 351.454 2.504 20 10 FFCDRO C[C@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC001576220597 1078207707 /nfs/dbraw/zinc/20/77/07/1078207707.db2.gz LCEBULMTAWSJHK-TWOQFEAHSA-N 1 0 355.482 2.862 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)c1O ZINC001474472103 1065531452 /nfs/dbraw/zinc/53/14/52/1065531452.db2.gz CZFSXLFRFNWPOW-UHFFFAOYSA-N 1 0 353.415 2.542 20 10 FFCDRO CCO[C@@H]1CN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C[C@H]1C[NH3+] ZINC001578153555 1078444554 /nfs/dbraw/zinc/44/45/54/1078444554.db2.gz VZTRXISWMRBFRV-UYAOXDASSA-N 1 0 370.497 2.599 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC001579589908 1078646819 /nfs/dbraw/zinc/64/68/19/1078646819.db2.gz QWONXWAVJLDBGO-NRFANRHFSA-N 1 0 351.450 2.875 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579617066 1078650815 /nfs/dbraw/zinc/65/08/15/1078650815.db2.gz KSUXEDFHXSVJHA-KRWDZBQOSA-N 1 0 354.502 2.506 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001579617192 1078650892 /nfs/dbraw/zinc/65/08/92/1078650892.db2.gz MVANKZXMPIBIBA-UTKZUKDTSA-N 1 0 358.530 2.777 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001557149757 1075814471 /nfs/dbraw/zinc/81/44/71/1075814471.db2.gz UXQBEIDWMPEVMK-XMSQKQJNSA-N 1 0 366.461 2.908 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[NH+](C)C)cc1 ZINC001558723409 1076063115 /nfs/dbraw/zinc/06/31/15/1076063115.db2.gz ODFDGZCXXXHJNL-GOSISDBHSA-N 1 0 374.416 2.833 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC12COC2 ZINC001560122987 1076230846 /nfs/dbraw/zinc/23/08/46/1076230846.db2.gz LYPVCFHXQFGPPT-IBGZPJMESA-N 1 0 372.509 2.997 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3nc4c(s3)CCC4)cc2F)CC1 ZINC001560582295 1076281223 /nfs/dbraw/zinc/28/12/23/1076281223.db2.gz AHLWJIXJBHXHFE-UHFFFAOYSA-N 1 0 374.529 2.855 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1O ZINC001560720831 1076294218 /nfs/dbraw/zinc/29/42/18/1076294218.db2.gz LCIVDFPIFXZIGL-ROUUACIJSA-N 1 0 373.541 2.577 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(O)c1 ZINC001560929278 1076311378 /nfs/dbraw/zinc/31/13/78/1076311378.db2.gz TUWUVKIPEHYDMP-RBBKRZOGSA-N 1 0 368.477 2.794 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC001560958652 1076313515 /nfs/dbraw/zinc/31/35/15/1076313515.db2.gz XUZDKPHEDUCGDS-FQEVSTJZSA-N 1 0 355.482 2.901 20 10 FFCDRO CO[C@H]1C[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])Cc3cccnc3N2C1 ZINC001560968277 1076314645 /nfs/dbraw/zinc/31/46/45/1076314645.db2.gz JAHPEERSHYABJT-GJZGRUSLSA-N 1 0 361.392 2.675 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(C)CCCS2)[NH+](C)C)cc1 ZINC001564338118 1076626235 /nfs/dbraw/zinc/62/62/35/1076626235.db2.gz QRXGNOLEKDGLOU-MJGOQNOKSA-N 1 0 364.559 2.940 20 10 FFCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCCO1 ZINC001564991412 1076676408 /nfs/dbraw/zinc/67/64/08/1076676408.db2.gz RAZTUNMDVURGBA-UXHICEINSA-N 1 0 374.529 2.585 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000371357479 512350320 /nfs/dbraw/zinc/35/03/20/512350320.db2.gz MCPVWXWYWZDTKB-HNNXBMFYSA-N 1 0 362.470 2.634 20 10 FFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079410307 507959986 /nfs/dbraw/zinc/95/99/86/507959986.db2.gz UUIUPHVELLHKSC-AWEZNQCLSA-N 1 0 350.434 2.862 20 10 FFCDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000079459685 507964453 /nfs/dbraw/zinc/96/44/53/507964453.db2.gz YBAIWDYKJNUNMK-QFBILLFUSA-N 1 0 373.497 2.567 20 10 FFCDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000122368896 508524377 /nfs/dbraw/zinc/52/43/77/508524377.db2.gz BUKGCQFUYJBNLG-UHFFFAOYSA-N 1 0 369.465 2.831 20 10 FFCDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119186361 508744256 /nfs/dbraw/zinc/74/42/56/508744256.db2.gz HDIREIGEZDTHLJ-DOTOQJQBSA-N 1 0 352.450 2.509 20 10 FFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160102456 508938969 /nfs/dbraw/zinc/93/89/69/508938969.db2.gz FLZWQCWIILFAEG-CQSZACIVSA-N 1 0 350.459 2.538 20 10 FFCDRO C[N@H+](CCOCC(F)(F)C(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000188638784 509186641 /nfs/dbraw/zinc/18/66/41/509186641.db2.gz GDDXJCLYRHFRPM-UHFFFAOYSA-N 1 0 364.383 2.872 20 10 FFCDRO CC(=O)NCC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000224467365 509358065 /nfs/dbraw/zinc/35/80/65/509358065.db2.gz PXJWOGSKRVSIMZ-UHFFFAOYSA-N 1 0 355.276 2.811 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163502666 509384887 /nfs/dbraw/zinc/38/48/87/509384887.db2.gz WAZFDMAWZXUECA-INIZCTEOSA-N 1 0 363.477 2.716 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)C2=O)cc1 ZINC000186050082 509499242 /nfs/dbraw/zinc/49/92/42/509499242.db2.gz IUFFBJCENFDROQ-AUUYWEPGSA-N 1 0 370.449 2.861 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc4c(cc3O)CCCC4)C2=O)n(C)n1 ZINC000186083387 509515364 /nfs/dbraw/zinc/51/53/64/509515364.db2.gz UIDATNRJIGEQDH-KDOFPFPSSA-N 1 0 368.481 2.769 20 10 FFCDRO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179563811 509515994 /nfs/dbraw/zinc/51/59/94/509515994.db2.gz ORYRSTLPYWWECL-UHFFFAOYSA-N 1 0 354.450 2.678 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2cccs2)c1 ZINC000186141153 509542754 /nfs/dbraw/zinc/54/27/54/509542754.db2.gz SRMYONPZBNSJGT-CYBMUJFWSA-N 1 0 354.497 2.733 20 10 FFCDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000189426225 509571399 /nfs/dbraw/zinc/57/13/99/509571399.db2.gz RZNXHCRXDXTMPW-UHFFFAOYSA-N 1 0 369.465 2.831 20 10 FFCDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166534293 509610265 /nfs/dbraw/zinc/61/02/65/509610265.db2.gz UYARJYYTCPVVBV-YQQAZPJKSA-N 1 0 352.450 2.507 20 10 FFCDRO CCC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264675198 509640282 /nfs/dbraw/zinc/64/02/82/509640282.db2.gz XYNVPCJCMPXFGL-RMKNXTFCSA-N 1 0 371.525 2.869 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)[NH+]2CCCC2)cc1 ZINC000237487570 509661368 /nfs/dbraw/zinc/66/13/68/509661368.db2.gz TZINTHRDWSLWPP-HXUWFJFHSA-N 1 0 353.466 2.773 20 10 FFCDRO Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+]2CCCC2)o1 ZINC000180734859 510082484 /nfs/dbraw/zinc/08/24/84/510082484.db2.gz CAPWXMGATPKARV-FSNWXROXSA-N 1 0 356.422 2.966 20 10 FFCDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180776469 510103573 /nfs/dbraw/zinc/10/35/73/510103573.db2.gz MPOMFQITAFTTEA-FNORWQNLSA-N 1 0 356.422 2.827 20 10 FFCDRO CCOc1cccc(C[NH2+]CCCN2C(=O)COc3ccccc32)c1O ZINC000174523840 510159094 /nfs/dbraw/zinc/15/90/94/510159094.db2.gz KFEYMQOZSHBTDK-UHFFFAOYSA-N 1 0 356.422 2.696 20 10 FFCDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000175225039 510540980 /nfs/dbraw/zinc/54/09/80/510540980.db2.gz RKBNBTBGQGDXDZ-UHFFFAOYSA-N 1 0 356.514 2.984 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000191209134 510548303 /nfs/dbraw/zinc/54/83/03/510548303.db2.gz AJUIJIOQWZCWKD-GFCCVEGCSA-N 1 0 364.392 2.988 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(O)c1 ZINC000185340996 510813399 /nfs/dbraw/zinc/81/33/99/510813399.db2.gz NHWGOZLHIPOJEB-YLJYHZDGSA-N 1 0 368.477 2.821 20 10 FFCDRO CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000293888815 510888903 /nfs/dbraw/zinc/88/89/03/510888903.db2.gz KFTUKCFBRDRNSB-UHFFFAOYSA-N 1 0 355.885 2.644 20 10 FFCDRO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000360448625 510909722 /nfs/dbraw/zinc/90/97/22/510909722.db2.gz NUVZXZGLAYFVSF-NRFANRHFSA-N 1 0 356.441 2.756 20 10 FFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 ZINC000278872500 511012238 /nfs/dbraw/zinc/01/22/38/511012238.db2.gz RZFMOTYAJJIOHL-FNHZYXHNSA-N 1 0 352.450 2.507 20 10 FFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287457164 511051147 /nfs/dbraw/zinc/05/11/47/511051147.db2.gz NAFCVKXVWNYWMS-XLIONFOSSA-N 1 0 354.498 2.831 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)CN1 ZINC000279490562 511102055 /nfs/dbraw/zinc/10/20/55/511102055.db2.gz UVECUMGSHBXNQW-NRFANRHFSA-N 1 0 352.434 2.683 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)cc2)CC1 ZINC000294881137 511208393 /nfs/dbraw/zinc/20/83/93/511208393.db2.gz FFHAJUFZWRPRGJ-LJQANCHMSA-N 1 0 369.513 2.806 20 10 FFCDRO COc1c(O)c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000365118209 511268006 /nfs/dbraw/zinc/26/80/06/511268006.db2.gz GSAKDXTZBFROJU-UHFFFAOYSA-N 1 0 362.386 2.554 20 10 FFCDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295118743 511289086 /nfs/dbraw/zinc/28/90/86/511289086.db2.gz MTWQRTPSARAHOO-LBPRGKRZSA-N 1 0 352.431 2.904 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1SC ZINC000298608651 511347229 /nfs/dbraw/zinc/34/72/29/511347229.db2.gz ZTRDSKVZKOUMAA-CGTJXYLNSA-N 1 0 354.491 2.661 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272049662 511413019 /nfs/dbraw/zinc/41/30/19/511413019.db2.gz HHAPLQHYWMHWSM-DYVFJYSZSA-N 1 0 370.419 2.977 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000295667289 511475885 /nfs/dbraw/zinc/47/58/85/511475885.db2.gz IVJOPUHAHHXMFK-UHFFFAOYSA-N 1 0 373.541 2.728 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000273607185 511548806 /nfs/dbraw/zinc/54/88/06/511548806.db2.gz UMZQRQSQZRCLOQ-SJORKVTESA-N 1 0 370.497 2.657 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000280809260 511610746 /nfs/dbraw/zinc/61/07/46/511610746.db2.gz JBJBAUCEAYOAEO-XQQFMLRXSA-N 1 0 358.276 2.759 20 10 FFCDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000280908747 511649717 /nfs/dbraw/zinc/64/97/17/511649717.db2.gz GIHSECVTYKDBLU-LBPRGKRZSA-N 1 0 362.289 2.773 20 10 FFCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Br)ccc1O ZINC000280928765 511657175 /nfs/dbraw/zinc/65/71/75/511657175.db2.gz HZXDNOGAVZYPQD-JTQLQIEISA-N 1 0 362.289 2.773 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCN[C@H](C)c3cc(C)on3)CC2)cc1 ZINC000284285525 511668901 /nfs/dbraw/zinc/66/89/01/511668901.db2.gz XPEXVFIVDXZBNI-QGZVFWFLSA-N 1 0 358.486 2.855 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCOC1 ZINC000280976944 511674733 /nfs/dbraw/zinc/67/47/33/511674733.db2.gz VVBPIRGCGKBLBK-RBUKOAKNSA-N 1 0 357.450 2.706 20 10 FFCDRO CC1CCC([NH+]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)CC1 ZINC000301696171 511698947 /nfs/dbraw/zinc/69/89/47/511698947.db2.gz PQYJHEOUFNUIOO-UHFFFAOYSA-N 1 0 374.441 2.626 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1ccccc1O ZINC000284502427 511747906 /nfs/dbraw/zinc/74/79/06/511747906.db2.gz ATSDLGFANCUFTE-OWDMVUQNSA-N 1 0 354.454 2.671 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000274877164 511972577 /nfs/dbraw/zinc/97/25/77/511972577.db2.gz GXIKPHLMMZFFLM-GOEBONIOSA-N 1 0 358.276 2.983 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274873652 511971518 /nfs/dbraw/zinc/97/15/18/511971518.db2.gz GFXNPXBOVWTGNX-DZGCQCFKSA-N 1 0 354.248 2.663 20 10 FFCDRO CN(C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1)S(C)(=O)=O ZINC000285174070 512026371 /nfs/dbraw/zinc/02/63/71/512026371.db2.gz UEYAZTQFZRLBOC-HNNXBMFYSA-N 1 0 362.495 2.649 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000364236538 512037430 /nfs/dbraw/zinc/03/74/30/512037430.db2.gz LHOMDUBLMCVOJI-UHFFFAOYSA-N 1 0 352.482 2.943 20 10 FFCDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)cn1 ZINC000375761155 512491563 /nfs/dbraw/zinc/49/15/63/512491563.db2.gz UUDHJEDZXBASEG-QFIPXVFZSA-N 1 0 362.477 2.806 20 10 FFCDRO COc1cccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1O ZINC000375767886 512496662 /nfs/dbraw/zinc/49/66/62/512496662.db2.gz KHNLPEVUZCRZQR-UHFFFAOYSA-N 1 0 363.845 2.777 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000371852684 512603271 /nfs/dbraw/zinc/60/32/71/512603271.db2.gz NALHSRYUTLPHCR-HZPDHXFCSA-N 1 0 365.861 2.876 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000376009287 512613937 /nfs/dbraw/zinc/61/39/37/512613937.db2.gz WNBTYBGXBRXQSF-BDJLRTHQSA-N 1 0 372.259 2.543 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000378461413 512772733 /nfs/dbraw/zinc/77/27/33/512772733.db2.gz YUFPMUQYRRNLLQ-GDBMZVCRSA-N 1 0 356.260 2.891 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc2ccccc2c1O ZINC000527955423 518009736 /nfs/dbraw/zinc/00/97/36/518009736.db2.gz NZTVLXNQQVTXDF-KSFYIVLOSA-N 1 0 370.493 2.812 20 10 FFCDRO CC[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC000570490643 518631765 /nfs/dbraw/zinc/63/17/65/518631765.db2.gz IIOCTMFANOHJFD-MRXNPFEDSA-N 1 0 357.498 2.949 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)ccc1OC ZINC000736626531 598314367 /nfs/dbraw/zinc/31/43/67/598314367.db2.gz ROPPYJWAKYWVQU-UHFFFAOYSA-N 1 0 371.416 2.841 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1 ZINC000826210629 608592581 /nfs/dbraw/zinc/59/25/81/608592581.db2.gz YPQIBQNVVZJZHZ-UHFFFAOYSA-N 1 0 371.466 2.604 20 10 FFCDRO COc1cccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826216148 608856367 /nfs/dbraw/zinc/85/63/67/608856367.db2.gz MLHLYMCCXLVZKE-UHFFFAOYSA-N 1 0 363.421 2.870 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000154624048 728808402 /nfs/dbraw/zinc/80/84/02/728808402.db2.gz XKBJTVXJVAGHJL-AWEZNQCLSA-N 1 0 354.545 2.753 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000898399098 735355350 /nfs/dbraw/zinc/35/53/50/735355350.db2.gz OLSLRECIZYODPG-RUZDIDTESA-N 1 0 366.575 2.847 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 ZINC000898398994 735355554 /nfs/dbraw/zinc/35/55/54/735355554.db2.gz LUFIZOCCZQCDHB-VWLOTQADSA-N 1 0 369.531 2.577 20 10 FFCDRO COc1ccc(C[NH2+]CCOC2CCSCC2)cc1Cn1cccn1 ZINC000898433937 735360945 /nfs/dbraw/zinc/36/09/45/735360945.db2.gz DYVKMCZXOOLREB-UHFFFAOYSA-N 1 0 361.511 2.942 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000899105701 735447709 /nfs/dbraw/zinc/44/77/09/735447709.db2.gz YTPHFVSWAWDKHF-DLBZAZTESA-N 1 0 350.532 2.502 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cncc(F)c3Cl)cc2)CC1 ZINC000899211862 735460179 /nfs/dbraw/zinc/46/01/79/735460179.db2.gz OBIJAEWKZNGFCE-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000066978864 728179535 /nfs/dbraw/zinc/17/95/35/728179535.db2.gz FEHUDGQEBXQSGA-MRXNPFEDSA-N 1 0 350.482 2.813 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000119875277 728601909 /nfs/dbraw/zinc/60/19/09/728601909.db2.gz FITLBYOJNYUXLD-IBGZPJMESA-N 1 0 358.507 2.990 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000131887372 728723169 /nfs/dbraw/zinc/72/31/69/728723169.db2.gz CMGLCURBADAZRD-OAHLLOKOSA-N 1 0 361.511 2.653 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCSc2nccs2)cc1 ZINC000132306840 728724207 /nfs/dbraw/zinc/72/42/07/728724207.db2.gz NIFOKNWDOCJSQY-LBPRGKRZSA-N 1 0 371.553 2.884 20 10 FFCDRO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134264378 728729348 /nfs/dbraw/zinc/72/93/48/728729348.db2.gz LELBFOAWPVZGJP-OAHLLOKOSA-N 1 0 362.861 2.726 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cncc(F)c1 ZINC000134270115 728729469 /nfs/dbraw/zinc/72/94/69/728729469.db2.gz JLICJTVPMNVZCR-MRXNPFEDSA-N 1 0 363.820 2.974 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)c2ccco2)c1O ZINC000174530191 729073810 /nfs/dbraw/zinc/07/38/10/729073810.db2.gz XAWSDJQZKVXRBU-HNNXBMFYSA-N 1 0 356.216 2.754 20 10 FFCDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000237893081 729564593 /nfs/dbraw/zinc/56/45/93/729564593.db2.gz KEPROEFDDYLZPJ-IBGZPJMESA-N 1 0 355.507 2.946 20 10 FFCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCSc2nccs2)C1 ZINC000246061388 729579437 /nfs/dbraw/zinc/57/94/37/729579437.db2.gz ZEJHPCIUCJTULN-UONOGXRCSA-N 1 0 354.545 2.751 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c1O ZINC000779050256 738432095 /nfs/dbraw/zinc/43/20/95/738432095.db2.gz NPDNQSHLWIGHRN-XHDPSFHLSA-N 1 0 358.276 2.901 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000302108551 729732268 /nfs/dbraw/zinc/73/22/68/729732268.db2.gz NHVVRTLSFNHUPD-LSDHHAIUSA-N 1 0 350.459 2.987 20 10 FFCDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000303561193 729734057 /nfs/dbraw/zinc/73/40/57/729734057.db2.gz IDKZQAJDEPOEKK-INIZCTEOSA-N 1 0 350.482 2.955 20 10 FFCDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924759178 738444737 /nfs/dbraw/zinc/44/47/37/738444737.db2.gz GGGMTOXMVJQKNL-HKUYNNGSSA-N 1 0 350.478 2.938 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000858100018 730416591 /nfs/dbraw/zinc/41/65/91/730416591.db2.gz GQXUNABQNSMSRN-GFCCVEGCSA-N 1 0 363.259 2.703 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1F ZINC000858149327 730417867 /nfs/dbraw/zinc/41/78/67/730417867.db2.gz HLUIGQJHAVIKJN-CYBMUJFWSA-N 1 0 350.388 2.933 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603952 730429795 /nfs/dbraw/zinc/42/97/95/730429795.db2.gz YIJCFMPQAJOFBO-YGRLFVJLSA-N 1 0 353.260 2.959 20 10 FFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862248959 730681739 /nfs/dbraw/zinc/68/17/39/730681739.db2.gz VBRNJYGXONJXGO-HOTGVXAUSA-N 1 0 370.287 2.907 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862332118 730689033 /nfs/dbraw/zinc/68/90/33/730689033.db2.gz RTNKJOCIIBHFSG-NEPJUHHUSA-N 1 0 372.259 2.697 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000862535997 730707491 /nfs/dbraw/zinc/70/74/91/730707491.db2.gz CQVVTLNZRQEJNP-SFHVURJKSA-N 1 0 361.873 2.740 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000863324199 730768775 /nfs/dbraw/zinc/76/87/75/730768775.db2.gz SDZPYFJEXQJUBY-QGZVFWFLSA-N 1 0 361.873 2.544 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925290164 738494442 /nfs/dbraw/zinc/49/44/42/738494442.db2.gz OTDMASPPQOHLFN-CYBMUJFWSA-N 1 0 365.861 2.542 20 10 FFCDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000872111799 731730753 /nfs/dbraw/zinc/73/07/53/731730753.db2.gz DSEOHNXOLSEOKR-HUUCEWRRSA-N 1 0 350.434 2.656 20 10 FFCDRO CO[C@H](C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1 ZINC000877033833 732315453 /nfs/dbraw/zinc/31/54/53/732315453.db2.gz OLLPCHDQACNOIS-UCLAIMLFSA-N 1 0 368.905 2.651 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H]3CC3(Cl)Cl)cc2)C1 ZINC000877146855 732328686 /nfs/dbraw/zinc/32/86/86/732328686.db2.gz WDTASVATMJUUKX-ZIAGYGMSSA-N 1 0 356.297 2.672 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000877450922 732363346 /nfs/dbraw/zinc/36/33/46/732363346.db2.gz IANZQXYYVNBKMT-IAGOWNOFSA-N 1 0 356.495 2.625 20 10 FFCDRO CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(F)c(F)c3[O-])CC2)CC1 ZINC000877596755 732395143 /nfs/dbraw/zinc/39/51/43/732395143.db2.gz XHHOHXLXUHVVLZ-UHFFFAOYSA-N 1 0 353.457 2.662 20 10 FFCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558562 738630103 /nfs/dbraw/zinc/63/01/03/738630103.db2.gz GRHCOTRFPZTLSC-CRAIPNDOSA-N 1 0 354.441 2.952 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCO)(CCO)CC2)c1O ZINC000879282356 732677965 /nfs/dbraw/zinc/67/79/65/732677965.db2.gz UWMKFZPQSFGPAA-UHFFFAOYSA-N 1 0 355.862 2.595 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O)c1ccccc1O ZINC000879650577 732742540 /nfs/dbraw/zinc/74/25/40/732742540.db2.gz ICKIOGLFLFLWIM-URKNILKWSA-N 1 0 350.459 2.803 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880314925 732886346 /nfs/dbraw/zinc/88/63/46/732886346.db2.gz HHDMTVFPLZZBON-INIZCTEOSA-N 1 0 358.511 2.657 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1 ZINC000883173136 733346052 /nfs/dbraw/zinc/34/60/52/733346052.db2.gz CSNMHEVLJPKXBY-MJGOQNOKSA-N 1 0 350.528 2.771 20 10 FFCDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccc(Br)cc1O ZINC000883308454 733366027 /nfs/dbraw/zinc/36/60/27/733366027.db2.gz POWSSCQMQJNBTI-CMPLNLGQSA-N 1 0 362.289 2.773 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000701868276 734355302 /nfs/dbraw/zinc/35/53/02/734355302.db2.gz SWUKCSUGHQLAJQ-GOSISDBHSA-N 1 0 350.415 2.610 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000891254713 734405469 /nfs/dbraw/zinc/40/54/69/734405469.db2.gz INMAHGTXZSJHAX-OAHLLOKOSA-N 1 0 362.455 2.755 20 10 FFCDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000891813273 734478869 /nfs/dbraw/zinc/47/88/69/734478869.db2.gz JLZMNEXZWXTHBP-LNSITVRQSA-N 1 0 358.408 2.592 20 10 FFCDRO O=C(Cc1cncs1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676111 738825988 /nfs/dbraw/zinc/82/59/88/738825988.db2.gz BUIRKZJOFNRESJ-CQSZACIVSA-N 1 0 365.886 2.825 20 10 FFCDRO F[C@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc(N3CCSCC3)cc1)OCCO2 ZINC000892612999 734579748 /nfs/dbraw/zinc/57/97/48/734579748.db2.gz PUVNGDHCXNSDJZ-ROUUACIJSA-N 1 0 366.502 2.963 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=S)NCC(C)C)cc2F)CC1 ZINC000730155935 734618809 /nfs/dbraw/zinc/61/88/09/734618809.db2.gz DKQZAOMTFZTQQK-UHFFFAOYSA-N 1 0 352.523 2.588 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCC[N@H+](CC)C2CC2)cc1F ZINC000731363248 734675499 /nfs/dbraw/zinc/67/54/99/734675499.db2.gz CHJGEILKERHWNP-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000733324435 734808986 /nfs/dbraw/zinc/80/89/86/734808986.db2.gz YHASXQZUZGKEMD-UHFFFAOYSA-N 1 0 365.861 2.780 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)CC1 ZINC000733330624 734809650 /nfs/dbraw/zinc/80/96/50/734809650.db2.gz FOAFMQMWAGCEAV-UHFFFAOYSA-N 1 0 364.898 2.865 20 10 FFCDRO COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000895666609 735038123 /nfs/dbraw/zinc/03/81/23/735038123.db2.gz PBGWWWQFRFWDER-GFCCVEGCSA-N 1 0 354.447 2.754 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1O ZINC000741263010 735128811 /nfs/dbraw/zinc/12/88/11/735128811.db2.gz XPZKRWVSIKXFHJ-GFCCVEGCSA-N 1 0 356.216 2.888 20 10 FFCDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)COC(=O)N1 ZINC000896393057 735152369 /nfs/dbraw/zinc/15/23/69/735152369.db2.gz ILCHBBFUTNLZRL-WBMJQRKESA-N 1 0 369.259 2.865 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000896980720 735190469 /nfs/dbraw/zinc/19/04/69/735190469.db2.gz TVKYZXLQCAJINN-LJQANCHMSA-N 1 0 350.459 2.552 20 10 FFCDRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000897173266 735200890 /nfs/dbraw/zinc/20/08/90/735200890.db2.gz NUJHDRYHFDEDHB-HNNXBMFYSA-N 1 0 370.287 2.908 20 10 FFCDRO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(Br)cc1O ZINC000903419646 736089783 /nfs/dbraw/zinc/08/97/83/736089783.db2.gz CPPQMQMABDUNTM-JTQLQIEISA-N 1 0 352.232 2.732 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1C ZINC000755219486 736242317 /nfs/dbraw/zinc/24/23/17/736242317.db2.gz JBSIOFAECUIXOY-UHFFFAOYSA-N 1 0 354.516 2.691 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904430528 736251015 /nfs/dbraw/zinc/25/10/15/736251015.db2.gz ISRVBAMVWHQUKK-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO OCC1(C[C@@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCCC1 ZINC000905052931 736289622 /nfs/dbraw/zinc/28/96/22/736289622.db2.gz XQQLDPSPYDYKET-LJQANCHMSA-N 1 0 364.555 2.633 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000756445209 736331931 /nfs/dbraw/zinc/33/19/31/736331931.db2.gz LJOHZSNLTUSQNC-OAHLLOKOSA-N 1 0 362.495 2.909 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000756481595 736335418 /nfs/dbraw/zinc/33/54/18/736335418.db2.gz DBSFBPHEPDKTFW-GFCCVEGCSA-N 1 0 354.859 2.675 20 10 FFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756551686 736341816 /nfs/dbraw/zinc/34/18/16/736341816.db2.gz WMPKBGGYFRDXBY-NWDGAFQWSA-N 1 0 374.312 2.937 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(Br)cc1O ZINC000756756948 736359127 /nfs/dbraw/zinc/35/91/27/736359127.db2.gz ASEAHPDSOCCPEU-JTQLQIEISA-N 1 0 362.289 2.630 20 10 FFCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000757920946 736435550 /nfs/dbraw/zinc/43/55/50/736435550.db2.gz UGPJBFYPTCXMLH-OAHLLOKOSA-N 1 0 360.248 2.521 20 10 FFCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759600311 736579697 /nfs/dbraw/zinc/57/96/97/736579697.db2.gz DBHJZDIJODJUTA-HNNXBMFYSA-N 1 0 368.572 2.999 20 10 FFCDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000760535846 736648172 /nfs/dbraw/zinc/64/81/72/736648172.db2.gz XHASBVHAQXICCF-CYBMUJFWSA-N 1 0 363.805 2.820 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761231199 736710517 /nfs/dbraw/zinc/71/05/17/736710517.db2.gz ZWBYZHPTMLLVSJ-OAHLLOKOSA-N 1 0 365.861 2.684 20 10 FFCDRO Cn1cc(Br)cc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463464 737424444 /nfs/dbraw/zinc/42/44/44/737424444.db2.gz JNWRTJZLCVQWKP-HNNXBMFYSA-N 1 0 367.243 2.551 20 10 FFCDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768462438 737424508 /nfs/dbraw/zinc/42/45/08/737424508.db2.gz LKHWTNVRLUMKJR-AWEZNQCLSA-N 1 0 351.443 2.965 20 10 FFCDRO CC[NH+](CC)CCN(CCOC)Cc1cc(Br)ccc1O ZINC000769329079 737518666 /nfs/dbraw/zinc/51/86/66/737518666.db2.gz LJRANPBPEBLFMT-UHFFFAOYSA-N 1 0 359.308 2.945 20 10 FFCDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000771627156 737743162 /nfs/dbraw/zinc/74/31/62/737743162.db2.gz BYAYPSFTLQUBAU-CQSZACIVSA-N 1 0 351.443 2.821 20 10 FFCDRO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000775486745 738096766 /nfs/dbraw/zinc/09/67/66/738096766.db2.gz GRTWOTCWSNSETE-MRXNPFEDSA-N 1 0 368.886 2.976 20 10 FFCDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000775820094 738128787 /nfs/dbraw/zinc/12/87/87/738128787.db2.gz SWFPDJFTEPGIDI-AAEUAGOBSA-N 1 0 352.406 2.690 20 10 FFCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000775820099 738129294 /nfs/dbraw/zinc/12/92/94/738129294.db2.gz SWFPDJFTEPGIDI-YPMHNXCESA-N 1 0 352.406 2.690 20 10 FFCDRO Fc1cc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1N1CCOCC1 ZINC000922462340 738149593 /nfs/dbraw/zinc/14/95/93/738149593.db2.gz ODOJLNISACBSLJ-BBRMVZONSA-N 1 0 362.367 2.862 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000789764217 739386232 /nfs/dbraw/zinc/38/62/32/739386232.db2.gz VBGHQWONXPXIJV-CYBMUJFWSA-N 1 0 357.292 2.616 20 10 FFCDRO C[C@H]1OCC[C@@]12CN(Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932280 739515520 /nfs/dbraw/zinc/51/55/20/739515520.db2.gz NFIJIWYVKZLOJY-XHBSWPGZSA-N 1 0 356.260 2.923 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccnc(N(C)C)n2)c(C(F)(F)F)c1 ZINC000793043456 739734260 /nfs/dbraw/zinc/73/42/60/739734260.db2.gz XXUWPAQBYLMHAI-UHFFFAOYSA-N 1 0 353.392 2.917 20 10 FFCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796281829 740125304 /nfs/dbraw/zinc/12/53/04/740125304.db2.gz ZJCOWQAPEZCGCR-UHFFFAOYSA-N 1 0 358.507 2.774 20 10 FFCDRO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1O ZINC000797998760 740297779 /nfs/dbraw/zinc/29/77/79/740297779.db2.gz IQSBWFYVHPGNHH-GFCCVEGCSA-N 1 0 370.421 2.642 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1O ZINC000800990607 740575910 /nfs/dbraw/zinc/57/59/10/740575910.db2.gz WFYDCMMHKUVVSV-LLVKDONJSA-N 1 0 372.849 2.814 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000805071503 740935062 /nfs/dbraw/zinc/93/50/62/740935062.db2.gz WAECQQXGSHOSCX-UONOGXRCSA-N 1 0 368.275 2.581 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)OCO2 ZINC000808425874 741224648 /nfs/dbraw/zinc/22/46/48/741224648.db2.gz IQEDFDWORIKHCV-AWEZNQCLSA-N 1 0 355.312 2.963 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)c1O ZINC000808691573 741252627 /nfs/dbraw/zinc/25/26/27/741252627.db2.gz SMUBERYEWOUJLD-YOEHRIQHSA-N 1 0 367.921 2.947 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000809721343 741336949 /nfs/dbraw/zinc/33/69/49/741336949.db2.gz QGKURDLUZXDJOI-GHMZBOCLSA-N 1 0 364.471 2.568 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000809788883 741343912 /nfs/dbraw/zinc/34/39/12/741343912.db2.gz XDOYZFFAEVSFGH-UHFFFAOYSA-N 1 0 372.351 2.778 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1O ZINC000809789154 741344066 /nfs/dbraw/zinc/34/40/66/741344066.db2.gz ZOVBFCZDXYCTLP-APHBMKBZSA-N 1 0 352.862 2.791 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cnn(CC(F)F)c3)CC2)cc1 ZINC000814291966 741810188 /nfs/dbraw/zinc/81/01/88/741810188.db2.gz HXXQPPANRUIGHS-UHFFFAOYSA-N 1 0 350.413 2.915 20 10 FFCDRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1N(C)C ZINC000815068412 741894611 /nfs/dbraw/zinc/89/46/11/741894611.db2.gz PBIOLBWXZGDYDM-OAHLLOKOSA-N 1 0 361.511 2.901 20 10 FFCDRO C[NH+]1CCN(c2ccc(NCc3cc(Cl)c(F)cc3O)cn2)CC1 ZINC000816528130 742038543 /nfs/dbraw/zinc/03/85/43/742038543.db2.gz NRQKLARZMVQWKV-UHFFFAOYSA-N 1 0 350.825 2.944 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000817938882 742223369 /nfs/dbraw/zinc/22/33/69/742223369.db2.gz VAEJEZAEZKFAMZ-KUHUBIRLSA-N 1 0 361.511 2.507 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000818965655 742316868 /nfs/dbraw/zinc/31/68/68/742316868.db2.gz CRBZTOPJVVZTGT-OZVIIMIRSA-N 1 0 364.383 2.842 20 10 FFCDRO O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819121014 742339702 /nfs/dbraw/zinc/33/97/02/742339702.db2.gz SIEAVUFHZIXFDK-ZWNOBZJWSA-N 1 0 354.319 2.770 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000822498135 742743894 /nfs/dbraw/zinc/74/38/94/742743894.db2.gz VARNWYNAIQCSIP-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000823850828 742990254 /nfs/dbraw/zinc/99/02/54/742990254.db2.gz FEPFMVQNYZYLEY-MDZRGWNJSA-N 1 0 350.528 2.836 20 10 FFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Br)cc1O)CC2 ZINC000824855859 743165027 /nfs/dbraw/zinc/16/50/27/743165027.db2.gz QXQFEEQXIQFLEX-CVEARBPZSA-N 1 0 370.287 2.907 20 10 FFCDRO Cc1cc(O)c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1Cl ZINC000824870046 743168215 /nfs/dbraw/zinc/16/82/15/743168215.db2.gz LTNZGSYMVGXHSC-MRXNPFEDSA-N 1 0 366.889 2.957 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000825064539 743204002 /nfs/dbraw/zinc/20/40/02/743204002.db2.gz MVEHXZHZKAIATH-UHFFFAOYSA-N 1 0 365.861 2.698 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000825182851 743223523 /nfs/dbraw/zinc/22/35/23/743223523.db2.gz COIMKRDDMLAJCI-QGZVFWFLSA-N 1 0 361.873 2.856 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000825265570 743237805 /nfs/dbraw/zinc/23/78/05/743237805.db2.gz CPEMGHAWEORNQF-INIZCTEOSA-N 1 0 369.303 2.888 20 10 FFCDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825326221 743248465 /nfs/dbraw/zinc/24/84/65/743248465.db2.gz KLAFKFNEBHSADU-HIFRSBDPSA-N 1 0 366.259 2.898 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1Cl ZINC000825352143 743255192 /nfs/dbraw/zinc/25/51/92/743255192.db2.gz CPZJTFWHAOHKGQ-UHFFFAOYSA-N 1 0 351.855 2.974 20 10 FFCDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000825476116 743278713 /nfs/dbraw/zinc/27/87/13/743278713.db2.gz YQEMCEHVXQBTNP-UHFFFAOYSA-N 1 0 355.276 2.845 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000825561663 743293550 /nfs/dbraw/zinc/29/35/50/743293550.db2.gz FJLPVQYHRRCOBY-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000825943750 743347188 /nfs/dbraw/zinc/34/71/88/743347188.db2.gz JYWLAIICNGBNTL-XJKSGUPXSA-N 1 0 350.212 2.739 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]1n1cccn1 ZINC000826024106 743356925 /nfs/dbraw/zinc/35/69/25/743356925.db2.gz RHTUXUWCMBYODV-BMFZPTHFSA-N 1 0 366.259 2.860 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1c(O)cccc1Cl)CO2 ZINC000827066799 743498840 /nfs/dbraw/zinc/49/88/40/743498840.db2.gz UZCODNIOBTUVRJ-LBPRGKRZSA-N 1 0 368.861 2.914 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)cc1 ZINC000827205194 743532745 /nfs/dbraw/zinc/53/27/45/743532745.db2.gz IBZBHRHRFRZUIL-HZPDHXFCSA-N 1 0 356.495 2.673 20 10 FFCDRO COC(=O)NC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000827929728 745003419 /nfs/dbraw/zinc/00/34/19/745003419.db2.gz UEJAIZBPGADVCW-UHFFFAOYSA-N 1 0 357.248 2.784 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000830818817 745436037 /nfs/dbraw/zinc/43/60/37/745436037.db2.gz VTIZRWZPGRHWDD-XGWLTEMNSA-N 1 0 353.846 2.610 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cs2)cc1 ZINC000831845070 745593857 /nfs/dbraw/zinc/59/38/57/745593857.db2.gz UIGBALNRWCPARN-CQSZACIVSA-N 1 0 356.495 2.530 20 10 FFCDRO CCO[C@H](C)c1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832272981 745669754 /nfs/dbraw/zinc/66/97/54/745669754.db2.gz KYIQGRMVAGMDJT-DOMZBBRYSA-N 1 0 362.499 2.736 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834783584 745899034 /nfs/dbraw/zinc/89/90/34/745899034.db2.gz KOYSVXHQIKIITB-KRWDZBQOSA-N 1 0 361.463 2.589 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000835036885 745936156 /nfs/dbraw/zinc/93/61/56/745936156.db2.gz SESKPAFHODVQCI-WUUFJKRQSA-N 1 0 361.555 2.563 20 10 FFCDRO COCC[N@H+](CCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838818005 746718324 /nfs/dbraw/zinc/71/83/24/746718324.db2.gz SZRINNHISZCDJW-UHFFFAOYSA-N 1 0 371.319 2.880 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCOC1 ZINC000839012573 746755008 /nfs/dbraw/zinc/75/50/08/746755008.db2.gz UZBOHTRSQIXYBT-KRWDZBQOSA-N 1 0 369.303 2.680 20 10 FFCDRO Cc1cc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n(C)n1 ZINC000840758612 747174692 /nfs/dbraw/zinc/17/46/92/747174692.db2.gz PIHHWRKSLREPDV-ZDUSSCGKSA-N 1 0 350.413 2.694 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(Cl)c1 ZINC000840947460 747238526 /nfs/dbraw/zinc/23/85/26/747238526.db2.gz UFQLXCKPBVIEIN-CQSZACIVSA-N 1 0 352.784 2.707 20 10 FFCDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000840979217 747249861 /nfs/dbraw/zinc/24/98/61/747249861.db2.gz ZRPWXDCTRMSTDR-GFCCVEGCSA-N 1 0 374.300 2.801 20 10 FFCDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1O ZINC000841745740 747447422 /nfs/dbraw/zinc/44/74/22/747447422.db2.gz SNZBLBAUVYDBTM-CXAGYDPISA-N 1 0 356.919 2.904 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000841798996 747463516 /nfs/dbraw/zinc/46/35/16/747463516.db2.gz OMIYKOHMAIBGAI-NVXWUHKLSA-N 1 0 350.482 2.941 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NC/C=C/C[NH3+])cc2Cl)C1 ZINC000841895236 747484078 /nfs/dbraw/zinc/48/40/78/747484078.db2.gz ACCJWFFYBVQBKJ-BAABZTOOSA-N 1 0 350.894 2.890 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000843124681 747777786 /nfs/dbraw/zinc/77/77/86/747777786.db2.gz FFPDFKUSUZMILE-WBVHZDCISA-N 1 0 369.303 2.791 20 10 FFCDRO NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350967 747814992 /nfs/dbraw/zinc/81/49/92/747814992.db2.gz YYSYOXMWZCDSGD-QGZVFWFLSA-N 1 0 374.282 2.887 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[NH2+]C34CCCC4)cs2)cc1 ZINC000843514802 747847320 /nfs/dbraw/zinc/84/73/20/747847320.db2.gz VXWAMPAPCYYYFE-INIZCTEOSA-N 1 0 356.495 2.721 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844301663 747999996 /nfs/dbraw/zinc/99/99/96/747999996.db2.gz VQVFBLLRBJQFHM-CQSZACIVSA-N 1 0 369.259 2.960 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844878820 748123212 /nfs/dbraw/zinc/12/32/12/748123212.db2.gz UJRXIFDHLCUAMS-MRXNPFEDSA-N 1 0 350.507 2.503 20 10 FFCDRO COC/C(C)=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845832357 748333868 /nfs/dbraw/zinc/33/38/68/748333868.db2.gz CEBMRQFNHKQWDF-WDBUWWRISA-N 1 0 352.862 2.719 20 10 FFCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846213693 748431808 /nfs/dbraw/zinc/43/18/08/748431808.db2.gz JTAVBCILDYHYBY-HNAYVOBHSA-N 1 0 368.905 2.759 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCCC2=O)c1O ZINC000848519454 748948251 /nfs/dbraw/zinc/94/82/51/748948251.db2.gz OGAFGVFJYSBEOX-NSHDSACASA-N 1 0 371.275 2.826 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000848528932 748950818 /nfs/dbraw/zinc/95/08/18/748950818.db2.gz PTKWLVNXOSAFPE-VXGBXAGGSA-N 1 0 374.275 2.867 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000848543111 748954825 /nfs/dbraw/zinc/95/48/25/748954825.db2.gz AEXMBYHDOQWLJL-MGOSUKFUSA-N 1 0 350.278 2.581 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000848543112 748955030 /nfs/dbraw/zinc/95/50/30/748955030.db2.gz AEXMBYHDOQWLJL-OCCIGCLGSA-N 1 0 350.278 2.581 20 10 FFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848547107 748956576 /nfs/dbraw/zinc/95/65/76/748956576.db2.gz KANJZSZBDFQMBA-NXEZZACHSA-N 1 0 359.264 2.681 20 10 FFCDRO CCc1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000848916511 749034227 /nfs/dbraw/zinc/03/42/27/749034227.db2.gz WDXHYOHYJFILHA-UHFFFAOYSA-N 1 0 351.244 2.669 20 10 FFCDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000848918614 749034733 /nfs/dbraw/zinc/03/47/33/749034733.db2.gz FYELXTAYNOQPLQ-HNNXBMFYSA-N 1 0 367.287 2.891 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000849356458 749110130 /nfs/dbraw/zinc/11/01/30/749110130.db2.gz GWKGSSUUZALKMH-AWEZNQCLSA-N 1 0 365.861 2.683 20 10 FFCDRO Fc1cc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)ccc1N1CCOCC1 ZINC000850379055 749355912 /nfs/dbraw/zinc/35/59/12/749355912.db2.gz YXTNTUGHAFKDEB-SJORKVTESA-N 1 0 356.388 2.566 20 10 FFCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H]1C ZINC000850507746 749378247 /nfs/dbraw/zinc/37/82/47/749378247.db2.gz POTZHAUOOUFAAC-JTDSTZFVSA-N 1 0 350.528 2.836 20 10 FFCDRO C[NH+](C)CCC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000853625821 750117671 /nfs/dbraw/zinc/11/76/71/750117671.db2.gz ZCVOTJSJCZRPRK-KRWDZBQOSA-N 1 0 350.503 2.938 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)cc1F ZINC000853705776 750140135 /nfs/dbraw/zinc/14/01/35/750140135.db2.gz DDFDSAIRNQDRKI-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000394127110 845861267 /nfs/dbraw/zinc/86/12/67/845861267.db2.gz CUHXJZRJPVXXHG-GXTWGEPZSA-N 1 0 354.422 2.818 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1-n1ccc(CC[NH3+])n1)N=[N+]=[N-] ZINC001167728714 970781687 /nfs/dbraw/zinc/78/16/87/970781687.db2.gz ZULZMWQLRIHVIO-GDNBJRDFSA-N 1 0 355.402 2.600 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000895649716 970805359 /nfs/dbraw/zinc/80/53/59/970805359.db2.gz CDTUEWJCQCPYFY-MSOLQXFVSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCCCC[NH+](C)C)CCCC1 ZINC000651333060 970829089 /nfs/dbraw/zinc/82/90/89/970829089.db2.gz WRYSUCYRPGZLEZ-UHFFFAOYSA-N 1 0 357.498 2.987 20 10 FFCDRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895745774 970910553 /nfs/dbraw/zinc/91/05/53/970910553.db2.gz BCPPRSPRMQPPEV-RBUKOAKNSA-N 1 0 357.450 2.991 20 10 FFCDRO Cc1ccc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(O)c1O ZINC000181960726 970979370 /nfs/dbraw/zinc/97/93/70/970979370.db2.gz NWVTVNBJLYSBIG-UHFFFAOYSA-N 1 0 354.450 2.843 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837073 1013058997 /nfs/dbraw/zinc/05/89/97/1013058997.db2.gz BDLNIZRWTDAOGQ-IUODEOHRSA-N 1 0 364.873 2.741 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000840385526 971219958 /nfs/dbraw/zinc/21/99/58/971219958.db2.gz ZPFUUGMXOMIMCE-XIHRNRATSA-N 1 0 358.530 2.916 20 10 FFCDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(OC)ccc1O ZINC000825318064 947151853 /nfs/dbraw/zinc/15/18/53/947151853.db2.gz HSBNQSAKUSQIIW-UHFFFAOYSA-N 1 0 353.426 2.993 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC[NH2+]CCCF ZINC001105084529 971473844 /nfs/dbraw/zinc/47/38/44/971473844.db2.gz URCIAALSUAOROJ-UKRRQHHQSA-N 1 0 363.437 2.896 20 10 FFCDRO CCc1onc(C)c1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896756053 971693289 /nfs/dbraw/zinc/69/32/89/971693289.db2.gz GZEOERPRKXMIFF-GOSISDBHSA-N 1 0 373.501 2.714 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000123276851 971700557 /nfs/dbraw/zinc/70/05/57/971700557.db2.gz WLGXCIFSIDXJGX-OAQYLSRUSA-N 1 0 365.477 2.886 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275894089 1013151364 /nfs/dbraw/zinc/15/13/64/1013151364.db2.gz OYCGHYWOGHWNCK-ACJLOTCBSA-N 1 0 352.862 2.647 20 10 FFCDRO Cn1cncc1CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001275895173 1013153165 /nfs/dbraw/zinc/15/31/65/1013153165.db2.gz GRRBQLITJJXHRO-IAGOWNOFSA-N 1 0 374.872 2.545 20 10 FFCDRO Cn1cncc1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275896578 1013157943 /nfs/dbraw/zinc/15/79/43/1013157943.db2.gz ZHKGZFKYMTVWNX-IBGZPJMESA-N 1 0 374.872 2.546 20 10 FFCDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3c4c(ccnc24)CCO3)COC1 ZINC001167374393 962484071 /nfs/dbraw/zinc/48/40/71/962484071.db2.gz BRMICYIGKPJDBG-UHFFFAOYSA-N 1 0 361.445 2.904 20 10 FFCDRO C[C@@H]1CCn2ncc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2C1 ZINC000891245393 962558910 /nfs/dbraw/zinc/55/89/10/962558910.db2.gz DFTWKRKKTAJONV-QRWLVFNGSA-N 1 0 369.513 2.564 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)c2)[NH+](C)C)cc1 ZINC000891248714 962589569 /nfs/dbraw/zinc/58/95/69/962589569.db2.gz NGDYDRZPDXPAHV-LJQANCHMSA-N 1 0 368.481 2.763 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3[nH]c(=O)oc3c2)[NH+](C)C)cc1 ZINC000891252092 962598876 /nfs/dbraw/zinc/59/88/76/962598876.db2.gz GCBSEYJWWKELTK-QGZVFWFLSA-N 1 0 368.437 2.632 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc4c3CC(=O)N4)cc2)CC1 ZINC001167427144 963029058 /nfs/dbraw/zinc/02/90/58/963029058.db2.gz ZSEFOGKZISHFJR-UHFFFAOYSA-N 1 0 371.872 2.594 20 10 FFCDRO COc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1Cn1cccn1 ZINC000873137991 1013396700 /nfs/dbraw/zinc/39/67/00/1013396700.db2.gz MARJGIMNCRZVJH-UHFFFAOYSA-N 1 0 351.454 2.841 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncc(C(F)(F)F)cn3)cc2)CC1 ZINC001167434918 963186946 /nfs/dbraw/zinc/18/69/46/963186946.db2.gz ZIRRTDAROJCQFR-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)CC2(C)OCCO2)cc1Cn1cccn1 ZINC000873147334 1013402984 /nfs/dbraw/zinc/40/29/84/1013402984.db2.gz UIMUNCNVEWZJAI-MRXNPFEDSA-N 1 0 359.470 2.819 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)cc1C ZINC000124407220 1013406404 /nfs/dbraw/zinc/40/64/04/1013406404.db2.gz XGNXVAPDSRGIHV-UHFFFAOYSA-N 1 0 371.456 2.904 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276086760 1013427843 /nfs/dbraw/zinc/42/78/43/1013427843.db2.gz UAKRDVPPSMPDNW-HXUWFJFHSA-N 1 0 355.413 2.693 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)c(OC)c1 ZINC001175512285 1013497725 /nfs/dbraw/zinc/49/77/25/1013497725.db2.gz JHGKQYNDQMBOSC-NRFANRHFSA-N 1 0 356.466 2.734 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc([C@H](C)O)n3)CC2)cc1 ZINC000891591355 964526560 /nfs/dbraw/zinc/52/65/60/964526560.db2.gz BEOMRYKUVYUVDL-KRWDZBQOSA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(N(C)C)cc1 ZINC000891814671 965140838 /nfs/dbraw/zinc/14/08/38/965140838.db2.gz SZYKHEYGZBOSQS-HNNXBMFYSA-N 1 0 352.482 2.959 20 10 FFCDRO COC[C@]1(C[NH2+]Cc2ccc(OC)c(OC)c2O)OCCc2ccccc21 ZINC000894532080 965456771 /nfs/dbraw/zinc/45/67/71/965456771.db2.gz PFTUUHCTHIRLKG-NRFANRHFSA-N 1 0 373.449 2.614 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1OC ZINC000894758788 965673370 /nfs/dbraw/zinc/67/33/70/965673370.db2.gz RYGHUVISYOKHJW-UONOGXRCSA-N 1 0 370.449 2.865 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000894859433 965951916 /nfs/dbraw/zinc/95/19/16/965951916.db2.gz ISVAIDREOZQUTM-GOSISDBHSA-N 1 0 354.450 2.642 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cnoc2)cc1C ZINC001087203571 966284940 /nfs/dbraw/zinc/28/49/40/966284940.db2.gz GGHCMTXQQOBEHC-BEFAXECRSA-N 1 0 371.481 2.951 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccnnc2)cc1C ZINC001087218217 966727695 /nfs/dbraw/zinc/72/76/95/966727695.db2.gz WUOPKFUDWKXZFW-BEFAXECRSA-N 1 0 368.481 2.824 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2ccncn2)cc1C ZINC001087227634 967047152 /nfs/dbraw/zinc/04/71/52/967047152.db2.gz IRKQENFUFRSZFK-QAPCUYQASA-N 1 0 368.481 2.824 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccccc1)C1CC1)cc2=O ZINC000052507500 967649773 /nfs/dbraw/zinc/64/97/73/967649773.db2.gz YMSPNAYMIYSYPJ-UHFFFAOYSA-N 1 0 366.421 2.776 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(C)nc3)cc2F)CC1 ZINC000161842425 967662947 /nfs/dbraw/zinc/66/29/47/967662947.db2.gz RDAIWZZKSDSQDS-UHFFFAOYSA-N 1 0 371.460 2.993 20 10 FFCDRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccc(N2CCOCC2)cc1 ZINC000874197186 1013785044 /nfs/dbraw/zinc/78/50/44/1013785044.db2.gz LAFLKIMIQCTEOE-QGZVFWFLSA-N 1 0 357.498 2.576 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]CC3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000895227413 968528794 /nfs/dbraw/zinc/52/87/94/968528794.db2.gz AJIJJRHESCHMGN-INIZCTEOSA-N 1 0 361.486 2.730 20 10 FFCDRO COc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1O ZINC000179749584 969042429 /nfs/dbraw/zinc/04/24/29/969042429.db2.gz SNRLBLPAZNPEIN-UHFFFAOYSA-N 1 0 354.450 2.929 20 10 FFCDRO Cc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1C ZINC000895298579 969057489 /nfs/dbraw/zinc/05/74/89/969057489.db2.gz VBNRISWFXNBBPP-HXUWFJFHSA-N 1 0 369.513 2.867 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c(O)c1OC ZINC000892611410 969591780 /nfs/dbraw/zinc/59/17/80/969591780.db2.gz UKQGMURVCCFNBN-UHFFFAOYSA-N 1 0 357.454 2.559 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(CCCn3ccnc3)CC1)[C@@H](O)CO2 ZINC000782945014 970021171 /nfs/dbraw/zinc/02/11/71/970021171.db2.gz MIQVBCIWCJFBOJ-IBGZPJMESA-N 1 0 357.454 2.707 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000892792237 970291589 /nfs/dbraw/zinc/29/15/89/970291589.db2.gz RWRKTVALOOJOLT-IAGOWNOFSA-N 1 0 362.470 2.944 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)COCc1ccco1)C[C@H]1CCCO1 ZINC000122824208 970748648 /nfs/dbraw/zinc/74/86/48/970748648.db2.gz NEAGYEHQBBZIKU-ZWKOTPCHSA-N 1 0 361.438 2.544 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001116040086 1032085003 /nfs/dbraw/zinc/08/50/03/1032085003.db2.gz LPDHUQAGQWLMOP-WOJBJXKFSA-N 1 0 374.529 2.537 20 10 FFCDRO CC[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1c(C)noc1C ZINC000893608062 975915043 /nfs/dbraw/zinc/91/50/43/975915043.db2.gz OHEYSPHKQRSTBE-IBGZPJMESA-N 1 0 370.497 2.853 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c(O)c1 ZINC000876555348 1014302458 /nfs/dbraw/zinc/30/24/58/1014302458.db2.gz VDVZDYBCVMEBLC-UHFFFAOYSA-N 1 0 363.465 2.544 20 10 FFCDRO CCCCN(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000053999134 976092137 /nfs/dbraw/zinc/09/21/37/976092137.db2.gz UPQKQCCVEQJSLS-UHFFFAOYSA-N 1 0 362.518 2.649 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000876568437 1014308595 /nfs/dbraw/zinc/30/85/95/1014308595.db2.gz MUXCBKNIZFNHBS-UHFFFAOYSA-N 1 0 371.447 2.718 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)N(C)C)cc1 ZINC000898448764 976460427 /nfs/dbraw/zinc/46/04/27/976460427.db2.gz WUJPIRIOQKVGQX-KRWDZBQOSA-N 1 0 364.440 2.702 20 10 FFCDRO COc1cccc(C(=O)N2CCC([NH2+]CCc3ccc(O)c(O)c3)CC2)c1 ZINC001167849950 976759668 /nfs/dbraw/zinc/75/96/68/976759668.db2.gz LCVXMJVBNMEDET-UHFFFAOYSA-N 1 0 370.449 2.543 20 10 FFCDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000876696714 1014355456 /nfs/dbraw/zinc/35/54/56/1014355456.db2.gz JESPFURUXXJSMR-GBXWSJCFSA-N 1 0 367.493 2.685 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC3(C2)CCOCC3)[NH+](C)C)cc1 ZINC000899102250 976911273 /nfs/dbraw/zinc/91/12/73/976911273.db2.gz OVNLLJSEMKVNQA-LJQANCHMSA-N 1 0 374.529 2.567 20 10 FFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876737650 1014370646 /nfs/dbraw/zinc/37/06/46/1014370646.db2.gz SVYFXKDDPXHMAR-QFIPXVFZSA-N 1 0 370.493 2.822 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C(C)(C)C)C1)cc2=O ZINC000796575825 1014375450 /nfs/dbraw/zinc/37/54/50/1014375450.db2.gz QGSORXAIPLBTAO-ZDUSSCGKSA-N 1 0 360.458 2.870 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893909735 977593764 /nfs/dbraw/zinc/59/37/64/977593764.db2.gz DGEIVTIURWSIGW-UHFFFAOYSA-N 1 0 352.438 2.737 20 10 FFCDRO COc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1OC ZINC000876893359 1014410794 /nfs/dbraw/zinc/41/07/94/1014410794.db2.gz KBYJEWGBEHWYPD-UHFFFAOYSA-N 1 0 370.493 2.997 20 10 FFCDRO CC(C)CC(=O)N1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876972510 1014436800 /nfs/dbraw/zinc/43/68/00/1014436800.db2.gz LGLDRRSGQOCNTN-UHFFFAOYSA-N 1 0 373.541 2.774 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCn3cnc4ccccc43)cc2)CC1 ZINC000876978769 1014438208 /nfs/dbraw/zinc/43/82/08/1014438208.db2.gz OWAJTFNECHWHPB-UHFFFAOYSA-N 1 0 350.466 2.787 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCN1CCOC[C@@H]1C ZINC000729385155 978269889 /nfs/dbraw/zinc/26/98/89/978269889.db2.gz AJBYWALRWDVFBK-SFHVURJKSA-N 1 0 355.482 2.853 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCN(c4ncccc4F)C3)cc2)CC1 ZINC000877110855 1014477535 /nfs/dbraw/zinc/47/75/35/1014477535.db2.gz FDWHYPGAARCHSW-QGZVFWFLSA-N 1 0 370.472 2.550 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000877146520 1014489025 /nfs/dbraw/zinc/48/90/25/1014489025.db2.gz UFXDGGSURSEUKJ-AZUAARDMSA-N 1 0 359.514 2.683 20 10 FFCDRO [O-]c1c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc(F)c1F ZINC000877190809 1014505386 /nfs/dbraw/zinc/50/53/86/1014505386.db2.gz UQEXLPZYHHGREN-QGZVFWFLSA-N 1 0 362.420 2.917 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000877303916 1014543788 /nfs/dbraw/zinc/54/37/88/1014543788.db2.gz VWWYHGJSWQQQTE-LJQANCHMSA-N 1 0 374.525 2.665 20 10 FFCDRO Cc1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000877361101 1014562145 /nfs/dbraw/zinc/56/21/45/1014562145.db2.gz QCGYFAHCYDRYJX-ZFWWWQNUSA-N 1 0 366.387 2.698 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnc(N4CCCC4)c3)cc2)CC1 ZINC000877537550 1014618329 /nfs/dbraw/zinc/61/83/29/1014618329.db2.gz NVRNBIUOZSSOOZ-UHFFFAOYSA-N 1 0 366.509 2.933 20 10 FFCDRO Cc1cccc2nc(CC[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cn21 ZINC000877608748 1014643973 /nfs/dbraw/zinc/64/39/73/1014643973.db2.gz WMIRUFCJJPRBIT-UHFFFAOYSA-N 1 0 364.493 2.936 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cc(N)ccc2F)[NH+](C)C)cc1 ZINC000904506771 980289099 /nfs/dbraw/zinc/28/90/99/980289099.db2.gz OVSYXEGIDNEBFY-SFHVURJKSA-N 1 0 359.449 2.898 20 10 FFCDRO O=C(N[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2)c1cc(O)c(O)c(O)c1 ZINC001272050045 980734682 /nfs/dbraw/zinc/73/46/82/980734682.db2.gz WUEKVUMUZJHWGE-UXHICEINSA-N 1 0 360.454 2.911 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2ccc3nc[nH]c(=O)c3n2)[NH+](C)C)cc1 ZINC000897521106 981422740 /nfs/dbraw/zinc/42/27/40/981422740.db2.gz CIZYENOOARQQRS-INIZCTEOSA-N 1 0 352.442 2.511 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841831752 981661495 /nfs/dbraw/zinc/66/14/95/981661495.db2.gz DLXIKPLVZYGCSG-NRFANRHFSA-N 1 0 362.477 2.749 20 10 FFCDRO COc1ccc(C[NH2+]C2CC3(CC(NC(=O)[C@]45C[C@H]4COC5)C3)C2)cc1C ZINC000963838935 1014783871 /nfs/dbraw/zinc/78/38/71/1014783871.db2.gz ILPCUSMWOHTLBL-NXUSXGGJSA-N 1 0 370.493 2.557 20 10 FFCDRO Cc1ccccc1CN1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841962006 982475849 /nfs/dbraw/zinc/47/58/49/982475849.db2.gz KFHZQDMTHZHFEA-UHFFFAOYSA-N 1 0 352.482 2.647 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(C)nc2C2CCCC2)cc1 ZINC000911667355 983863638 /nfs/dbraw/zinc/86/36/38/983863638.db2.gz QIAHEMGSCQBQEX-GOSISDBHSA-N 1 0 355.486 2.574 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000911666380 983864163 /nfs/dbraw/zinc/86/41/63/983864163.db2.gz IHUJHXRMLUBAHA-YQVWRLOYSA-N 1 0 359.420 2.951 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001107057265 983875730 /nfs/dbraw/zinc/87/57/30/983875730.db2.gz UFECLSDXGCXKGY-FLIBDRRTSA-N 1 0 363.849 2.899 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2CC[NH+](C)CC2)CCCC1 ZINC000651223370 1015059732 /nfs/dbraw/zinc/05/97/32/1015059732.db2.gz DNYFMTDZPLNGQY-UHFFFAOYSA-N 1 0 369.509 2.987 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764808550 984727369 /nfs/dbraw/zinc/72/73/69/984727369.db2.gz FNXGTVSFMXXFPI-SJLPKXTDSA-N 1 0 374.456 2.753 20 10 FFCDRO Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000785430875 984735389 /nfs/dbraw/zinc/73/53/89/984735389.db2.gz CGAGDUHBMASSCO-KRWDZBQOSA-N 1 0 356.445 2.521 20 10 FFCDRO Cc1cc(C)n2c(CN(C)c3ccc(OCC[NH+](C)C)cc3)cnc2n1 ZINC000761222631 984932957 /nfs/dbraw/zinc/93/29/57/984932957.db2.gz KUHKFCBGKHYZRU-UHFFFAOYSA-N 1 0 353.470 2.923 20 10 FFCDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000765632768 985247131 /nfs/dbraw/zinc/24/71/31/985247131.db2.gz GOQBBUXXTGXDRT-ZBFHGGJFSA-N 1 0 365.449 2.544 20 10 FFCDRO O=c1[nH]c2cccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)c2o1 ZINC000921560330 985400137 /nfs/dbraw/zinc/40/01/37/985400137.db2.gz RYQTUWPUNZLCBT-UHFFFAOYSA-N 1 0 357.385 2.799 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)cc2)C1 ZINC000921573663 985407075 /nfs/dbraw/zinc/40/70/75/985407075.db2.gz JPKMPRGINNHRIS-UAFMIMERSA-N 1 0 371.525 2.683 20 10 FFCDRO c1cc(N2CCCCC2)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000171924779 985427169 /nfs/dbraw/zinc/42/71/69/985427169.db2.gz QSCQBAURXFJRBQ-UHFFFAOYSA-N 1 0 356.558 2.890 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000139961746 985655662 /nfs/dbraw/zinc/65/56/62/985655662.db2.gz HEJPELWASRKZIK-CYBMUJFWSA-N 1 0 364.442 2.858 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000878756742 1015199565 /nfs/dbraw/zinc/19/95/65/1015199565.db2.gz RBCSRLRVGAAAGX-LJQANCHMSA-N 1 0 352.482 2.643 20 10 FFCDRO CCc1ncnc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1F ZINC000762197404 988203628 /nfs/dbraw/zinc/20/36/28/988203628.db2.gz ZODRSVIBDYYKCD-UHFFFAOYSA-N 1 0 373.476 2.811 20 10 FFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)Nc1ccc2c(c1)OCCO2 ZINC000922294986 988356423 /nfs/dbraw/zinc/35/64/23/988356423.db2.gz GSAPAFKGUDMHLE-UHFFFAOYSA-N 1 0 354.406 2.511 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C4CCC3CC4)CC2)cc1 ZINC000916196515 989757087 /nfs/dbraw/zinc/75/70/87/989757087.db2.gz JNFPTRRZHXUJKH-UHFFFAOYSA-N 1 0 372.513 2.544 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000127733432 1015526420 /nfs/dbraw/zinc/52/64/20/1015526420.db2.gz YDXMELPLZITMSY-DOTOQJQBSA-N 1 0 372.513 2.588 20 10 FFCDRO CN(Cc1ccc(I)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217314 990702541 /nfs/dbraw/zinc/70/25/41/990702541.db2.gz PFWKUWZJUZPYNL-CHWSQXEVSA-N 1 0 360.239 2.699 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)cc1 ZINC000920921589 990933265 /nfs/dbraw/zinc/93/32/65/990933265.db2.gz MSFJZYISVDACNQ-DBVUQKKJSA-N 1 0 372.513 2.510 20 10 FFCDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651688 1015627275 /nfs/dbraw/zinc/62/72/75/1015627275.db2.gz HFPPFSYHTNOFLQ-HNNXBMFYSA-N 1 0 370.449 2.863 20 10 FFCDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000180917254 991576529 /nfs/dbraw/zinc/57/65/29/991576529.db2.gz OBHCJJLXCXUGBI-LOWQCSRCSA-N 1 0 352.434 2.674 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cccc(=O)[nH]3)C2)cc1C ZINC001086666521 994163085 /nfs/dbraw/zinc/16/30/85/994163085.db2.gz QSGGXSUTPLDWBY-DLBZAZTESA-N 1 0 369.465 2.793 20 10 FFCDRO CN(Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000809537594 994535396 /nfs/dbraw/zinc/53/53/96/994535396.db2.gz PDPSIPRNRFCBNU-FQEVSTJZSA-N 1 0 370.518 2.868 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)c(O)c(C)c3)CC2)cc1 ZINC000809609686 994549929 /nfs/dbraw/zinc/54/99/29/994549929.db2.gz IIORQDXHSJAIDS-UHFFFAOYSA-N 1 0 369.509 2.929 20 10 FFCDRO O=C1C[C@]2(CC[N@H+](Cc3ccc4c(c3)CCN4Cc3ccccc3)C2)CN1 ZINC000809656304 994569210 /nfs/dbraw/zinc/56/92/10/994569210.db2.gz BATYKNZIXGOUJC-HSZRJFAPSA-N 1 0 361.489 2.961 20 10 FFCDRO COc1ccc(O)c(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000809728391 994582544 /nfs/dbraw/zinc/58/25/44/994582544.db2.gz VOSPHPKADQFIIL-UHFFFAOYSA-N 1 0 371.481 2.520 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1O ZINC000809739964 994601882 /nfs/dbraw/zinc/60/18/82/994601882.db2.gz IKZOZAARINBNJN-LBPRGKRZSA-N 1 0 359.382 2.816 20 10 FFCDRO CSC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC[NH+](C)CC1 ZINC000811884779 995280947 /nfs/dbraw/zinc/28/09/47/995280947.db2.gz PQBYWOSVRWBZES-UHFFFAOYSA-N 1 0 374.554 2.689 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)[C@H](C)COC)cc2F)CC1 ZINC000812501582 995447912 /nfs/dbraw/zinc/44/79/12/995447912.db2.gz DJOBFNDPJHLJFC-HZPDHXFCSA-N 1 0 365.493 2.502 20 10 FFCDRO COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000812541780 995460116 /nfs/dbraw/zinc/46/01/16/995460116.db2.gz DZQPGMVQNJMIHL-MSOLQXFVSA-N 1 0 373.541 2.753 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cscn3)C[C@H]2C)cc1C ZINC001082787129 995498349 /nfs/dbraw/zinc/49/83/49/995498349.db2.gz ZHOBUQRXYPJEOB-RHSMWYFYSA-N 1 0 359.495 2.639 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(C(F)(F)F)CC3)cc2F)CC1 ZINC000730192701 996956134 /nfs/dbraw/zinc/95/61/34/996956134.db2.gz LLAHYFTXHMKYCM-UHFFFAOYSA-N 1 0 373.394 2.926 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC12COC2 ZINC000824483513 996957523 /nfs/dbraw/zinc/95/75/23/996957523.db2.gz NUCIBJYVHSECJU-IBGZPJMESA-N 1 0 358.482 2.688 20 10 FFCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824681728 997050681 /nfs/dbraw/zinc/05/06/81/997050681.db2.gz OLCXQIYDRJLXKO-QZTJIDSGSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000824692192 997055108 /nfs/dbraw/zinc/05/51/08/997055108.db2.gz ACPOXMJOMVWGFQ-QZTJIDSGSA-N 1 0 374.529 2.505 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[N@H+](C)C[C@H]3C(C)C)C2)cc1 ZINC000824692744 997057367 /nfs/dbraw/zinc/05/73/67/997057367.db2.gz HLHJMPMBQWOPEC-PXNSSMCTSA-N 1 0 374.529 2.503 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)C2)cc1 ZINC000824693679 997059459 /nfs/dbraw/zinc/05/94/59/997059459.db2.gz MPXIPZSUVWWGGT-MSOLQXFVSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1OC ZINC000824926167 997146830 /nfs/dbraw/zinc/14/68/30/997146830.db2.gz LJXNZLBMFSPIQD-INIZCTEOSA-N 1 0 358.438 2.719 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000844166036 997690513 /nfs/dbraw/zinc/69/05/13/997690513.db2.gz XEIADZVRLOLDAN-AERCQKQUSA-N 1 0 365.477 2.760 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000844400645 997859769 /nfs/dbraw/zinc/85/97/69/997859769.db2.gz FFOPADJWVHXLIP-IBGZPJMESA-N 1 0 359.426 2.705 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](F)C3)cc2F)CC1 ZINC000844955604 998249787 /nfs/dbraw/zinc/24/97/87/998249787.db2.gz JMRDJXWGQRLXPJ-INIZCTEOSA-N 1 0 366.456 2.611 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc[nH+]c4ccccc34)cc2)C1 ZINC000731981875 998383144 /nfs/dbraw/zinc/38/31/44/998383144.db2.gz FPBVGCMQRRZULF-QGZVFWFLSA-N 1 0 360.461 2.971 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccc(Cl)cc1 ZINC000732149319 998508965 /nfs/dbraw/zinc/50/89/65/998508965.db2.gz HLGZENYCZYFYRV-GOSISDBHSA-N 1 0 374.916 2.723 20 10 FFCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144514825 998626213 /nfs/dbraw/zinc/62/62/13/998626213.db2.gz TZNCUMAWFSSRLE-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144514824 998626411 /nfs/dbraw/zinc/62/64/11/998626411.db2.gz TZNCUMAWFSSRLE-CYBMUJFWSA-N 1 0 366.458 2.882 20 10 FFCDRO CC[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001144516052 998627635 /nfs/dbraw/zinc/62/76/35/998627635.db2.gz NLDVXJURSRUCEI-GOSISDBHSA-N 1 0 372.465 2.526 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000733325802 998963252 /nfs/dbraw/zinc/96/32/52/998963252.db2.gz TZFUSDGNMYOBNG-KRWDZBQOSA-N 1 0 362.445 2.568 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)c2C)cc1C ZINC001085133002 999002808 /nfs/dbraw/zinc/00/28/08/999002808.db2.gz CEOAOFFGNWXABP-RTBURBONSA-N 1 0 370.497 2.876 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnns2)cc1C ZINC001085143083 999018088 /nfs/dbraw/zinc/01/80/88/999018088.db2.gz HJULAVJQTCUHRF-HUUCEWRRSA-N 1 0 360.483 2.686 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2CCOC2)cc1C ZINC001085156674 999040142 /nfs/dbraw/zinc/04/01/42/999040142.db2.gz SADHPDCIMUCAMN-IPMKNSEASA-N 1 0 360.498 2.947 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCCN(Cc2ccccc2)C1 ZINC000733998875 999177294 /nfs/dbraw/zinc/17/72/94/999177294.db2.gz DSSRYJXMKKYMNJ-JOCHJYFZSA-N 1 0 352.478 2.738 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2nccc2C)cc1C ZINC001085349574 999408269 /nfs/dbraw/zinc/40/82/69/999408269.db2.gz LZUNXGFNAFNFMY-RTBURBONSA-N 1 0 370.497 2.726 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000766239181 999655088 /nfs/dbraw/zinc/65/50/88/999655088.db2.gz HGCBTCJPDSDAIH-FQEVSTJZSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1F ZINC000740006820 999657025 /nfs/dbraw/zinc/65/70/25/999657025.db2.gz OGHPDAVSPMKAGL-FPOVZHCZSA-N 1 0 371.500 2.864 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C ZINC000740007006 999657210 /nfs/dbraw/zinc/65/72/10/999657210.db2.gz PYXLVVVKJWQSKC-RTWAWAEBSA-N 1 0 354.494 2.976 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H](C)C[C@@H]3C)cc2F)CC1 ZINC000741087496 999706869 /nfs/dbraw/zinc/70/68/69/999706869.db2.gz YLGXYXYGGSNPEA-HOTGVXAUSA-N 1 0 362.493 2.908 20 10 FFCDRO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000742242705 999766188 /nfs/dbraw/zinc/76/61/88/999766188.db2.gz FAPVXUUCGXYZEK-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000742391453 999771625 /nfs/dbraw/zinc/77/16/25/999771625.db2.gz ISWXKYGSGYPBPL-KXBFYZLASA-N 1 0 355.486 2.550 20 10 FFCDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000742373791 999772435 /nfs/dbraw/zinc/77/24/35/999772435.db2.gz FAARHJAERPTCLW-FQEVSTJZSA-N 1 0 362.445 2.869 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000745779150 999930604 /nfs/dbraw/zinc/93/06/04/999930604.db2.gz MYXGMMPGFRQMTG-ABSDTBQOSA-N 1 0 374.529 2.708 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N2CCOCC2)cc1Cl ZINC000766531505 1000007127 /nfs/dbraw/zinc/00/71/27/1000007127.db2.gz NPFWSKNIMDOSHI-CYBMUJFWSA-N 1 0 374.872 2.521 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000741794526 1000121808 /nfs/dbraw/zinc/12/18/08/1000121808.db2.gz WGWZYJFQNHGGOE-QZTJIDSGSA-N 1 0 359.514 2.854 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCc2ccccc21 ZINC000846011752 1000193188 /nfs/dbraw/zinc/19/31/88/1000193188.db2.gz PHCQZRDKUWHSBY-JOCHJYFZSA-N 1 0 370.468 2.628 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)cc1 ZINC000846053141 1000198179 /nfs/dbraw/zinc/19/81/79/1000198179.db2.gz SJKUBCWZLAEKQN-UHFFFAOYSA-N 1 0 369.444 2.983 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1O ZINC000846147386 1000209689 /nfs/dbraw/zinc/20/96/89/1000209689.db2.gz UNDDFDPMFGRGTD-SJORKVTESA-N 1 0 370.497 2.657 20 10 FFCDRO C[NH2+]Cc1ccccc1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846205688 1000220386 /nfs/dbraw/zinc/22/03/86/1000220386.db2.gz JZHGOIMNMJAAQA-UHFFFAOYSA-N 1 0 370.497 2.692 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444531 1000250782 /nfs/dbraw/zinc/25/07/82/1000250782.db2.gz CFRWSWXWEHSFAG-QRWLVFNGSA-N 1 0 354.450 2.524 20 10 FFCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000768464610 1000263389 /nfs/dbraw/zinc/26/33/89/1000263389.db2.gz DAKSWYGDSPGFPN-VWKPWSFCSA-N 1 0 368.477 2.913 20 10 FFCDRO O=C(CCn1cccc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768912700 1000384697 /nfs/dbraw/zinc/38/46/97/1000384697.db2.gz CGBPDRMXUKZTDH-UHFFFAOYSA-N 1 0 366.509 2.727 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000846663213 1000408413 /nfs/dbraw/zinc/40/84/13/1000408413.db2.gz FILUTPDGRFXFKZ-GOSISDBHSA-N 1 0 354.429 2.732 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1(C2CC2)CC1 ZINC000769046597 1000412764 /nfs/dbraw/zinc/41/27/64/1000412764.db2.gz LOGGTLOJQOOOTE-UHFFFAOYSA-N 1 0 368.525 2.960 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](CCO)Cc2cc(OC)ccc2OC)c1 ZINC000769404023 1000506851 /nfs/dbraw/zinc/50/68/51/1000506851.db2.gz MNPICGOLMRUGKT-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000769405690 1000508680 /nfs/dbraw/zinc/50/86/80/1000508680.db2.gz YKRYASMTYYPFHS-HXUWFJFHSA-N 1 0 365.477 2.624 20 10 FFCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405303 1000509092 /nfs/dbraw/zinc/50/90/92/1000509092.db2.gz VYPJEPBRJPKLBK-INIZCTEOSA-N 1 0 360.458 2.543 20 10 FFCDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769504544 1000536687 /nfs/dbraw/zinc/53/66/87/1000536687.db2.gz UTUQKHHEWKMZQB-MRXNPFEDSA-N 1 0 364.461 2.826 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccc(F)cn1 ZINC000771380312 1001080554 /nfs/dbraw/zinc/08/05/54/1001080554.db2.gz FVJRUCPOZJLPRM-GOEBONIOSA-N 1 0 356.445 2.773 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000788203872 1001771606 /nfs/dbraw/zinc/77/16/06/1001771606.db2.gz CQTPNTQYXZPGMA-NRFANRHFSA-N 1 0 355.482 2.623 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000746757411 1001842464 /nfs/dbraw/zinc/84/24/64/1001842464.db2.gz PFQCFWHMQOUDPB-KRWDZBQOSA-N 1 0 362.518 2.615 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774484774 1001926961 /nfs/dbraw/zinc/92/69/61/1001926961.db2.gz SHAQKAZREXLTTL-CVEARBPZSA-N 1 0 368.481 2.818 20 10 FFCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000774520046 1001966051 /nfs/dbraw/zinc/96/60/51/1001966051.db2.gz YSULHGYREDQWFR-HZSPNIEDSA-N 1 0 374.441 2.767 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1c(F)ccc(O)c1O ZINC000789959668 1002237144 /nfs/dbraw/zinc/23/71/44/1002237144.db2.gz WTJAMUBEJNQXEV-UHFFFAOYSA-N 1 0 362.376 2.770 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1O ZINC001276247693 1016612226 /nfs/dbraw/zinc/61/22/26/1016612226.db2.gz HQHGIBYMNKBFMJ-OAQYLSRUSA-N 1 0 358.482 2.655 20 10 FFCDRO COc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3O)CC2)c1 ZINC000774821981 1002809181 /nfs/dbraw/zinc/80/91/81/1002809181.db2.gz KAFICSRILCFLMB-UHFFFAOYSA-N 1 0 373.409 2.640 20 10 FFCDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H]1COc2ccccc2O1 ZINC000774823284 1002810725 /nfs/dbraw/zinc/81/07/25/1002810725.db2.gz SEENYOHNXXAQIZ-AWEZNQCLSA-N 1 0 374.393 2.971 20 10 FFCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000792195920 1002940357 /nfs/dbraw/zinc/94/03/57/1002940357.db2.gz ONNPOXQHFMUVCO-UHFFFAOYSA-N 1 0 364.461 2.875 20 10 FFCDRO CN1C(=O)CCC12CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203648380 1003430500 /nfs/dbraw/zinc/43/05/00/1003430500.db2.gz KBCPMUKCPXFDMS-UHFFFAOYSA-N 1 0 353.260 2.742 20 10 FFCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793606178 1003437214 /nfs/dbraw/zinc/43/72/14/1003437214.db2.gz ZUSITTBFMCSAFE-UHFFFAOYSA-N 1 0 366.458 2.851 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000806183145 1004251108 /nfs/dbraw/zinc/25/11/08/1004251108.db2.gz NPBINDXPJBSSAK-WMZOPIPTSA-N 1 0 373.522 2.866 20 10 FFCDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000806878345 1004448158 /nfs/dbraw/zinc/44/81/58/1004448158.db2.gz PLHROPIUZWGHTQ-KBPBESRZSA-N 1 0 370.444 2.506 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(N(C)C)cc1 ZINC000775828557 1004533192 /nfs/dbraw/zinc/53/31/92/1004533192.db2.gz QRNLWSTVRDQEKK-AWEZNQCLSA-N 1 0 368.437 2.901 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)Cc1ccccc1 ZINC000775955764 1004923466 /nfs/dbraw/zinc/92/34/66/1004923466.db2.gz PHENEJRBROKNGT-GOSISDBHSA-N 1 0 372.534 2.890 20 10 FFCDRO CCOc1ccc(C[N@H+](C)Cc2ccc(OCC(=O)OC)cc2)c(O)c1 ZINC000775984741 1004964246 /nfs/dbraw/zinc/96/42/46/1004964246.db2.gz VIIFGIMBBCNYEE-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C)CC3)cc2F)CC1 ZINC000106584742 1005343223 /nfs/dbraw/zinc/34/32/23/1005343223.db2.gz NZLGMHMMKYBHIX-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCN3C[C@H]4CCCCN4C3=O)CC2)cc1 ZINC000850562560 1005822582 /nfs/dbraw/zinc/82/25/82/1005822582.db2.gz NXYUQCANCOSPCA-LJQANCHMSA-N 1 0 372.513 2.544 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000850753087 1005835971 /nfs/dbraw/zinc/83/59/71/1005835971.db2.gz WOBIXPZWBUFNGN-SFHVURJKSA-N 1 0 366.465 2.741 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000851654451 1005903192 /nfs/dbraw/zinc/90/31/92/1005903192.db2.gz BMLZLLICYQTHTF-WOJBJXKFSA-N 1 0 352.482 2.698 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([C@H](C)[NH3+])cc3)C2)cc1 ZINC000851662697 1005904315 /nfs/dbraw/zinc/90/43/15/1005904315.db2.gz GLZLJNITQPNTNT-YJBOKZPZSA-N 1 0 368.481 2.793 20 10 FFCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000851673457 1005905211 /nfs/dbraw/zinc/90/52/11/1005905211.db2.gz DEIWKWXPTSCJNU-OALUTQOASA-N 1 0 369.465 2.688 20 10 FFCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852348578 1005988542 /nfs/dbraw/zinc/98/85/42/1005988542.db2.gz PJXKKFITBHIKAP-DLBZAZTESA-N 1 0 362.518 2.694 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000813634337 1005998965 /nfs/dbraw/zinc/99/89/65/1005998965.db2.gz JNEONLOOBMILDX-HXUWFJFHSA-N 1 0 362.493 2.909 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)F ZINC000881279092 1006027571 /nfs/dbraw/zinc/02/75/71/1006027571.db2.gz PMWUFLWWLMXAID-AWEZNQCLSA-N 1 0 366.456 2.671 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1 ZINC000852447886 1006029240 /nfs/dbraw/zinc/02/92/40/1006029240.db2.gz GDQKHLAPJGONIJ-LNLFQRSKSA-N 1 0 372.513 2.542 20 10 FFCDRO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852452709 1006034143 /nfs/dbraw/zinc/03/41/43/1006034143.db2.gz CEMANSPVNWXCLQ-GOSISDBHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1OC ZINC000814172907 1006168342 /nfs/dbraw/zinc/16/83/42/1006168342.db2.gz DWLVPNNUUUMFRQ-UHFFFAOYSA-N 1 0 354.406 2.551 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](C(F)(F)F)OC(C)(C)C3)cc2)CC1 ZINC000814175159 1006171753 /nfs/dbraw/zinc/17/17/53/1006171753.db2.gz ICPSKPCUFRJQJV-KRWDZBQOSA-N 1 0 371.447 2.980 20 10 FFCDRO COc1ccccc1C(F)(F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792025 1006186341 /nfs/dbraw/zinc/18/63/41/1006186341.db2.gz PBSDPGDKFDHCLQ-MRXNPFEDSA-N 1 0 363.408 2.669 20 10 FFCDRO C[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000852795771 1006187234 /nfs/dbraw/zinc/18/72/34/1006187234.db2.gz KDZTTZDLBUBZBN-OAHLLOKOSA-N 1 0 351.450 2.617 20 10 FFCDRO O=C(c1cccc2c1CC[NH2+]C2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000852882265 1006220223 /nfs/dbraw/zinc/22/02/23/1006220223.db2.gz BGDOLMZKPZPNAQ-SFHVURJKSA-N 1 0 366.461 2.859 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3([C@H]4CCCCO4)CCC3)cc2)CC1 ZINC000881855595 1006243646 /nfs/dbraw/zinc/24/36/46/1006243646.db2.gz YBKSKFDWJLHPHY-HXUWFJFHSA-N 1 0 371.525 2.794 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3([C@@H]4CCCCO4)CCC3)cc2)CC1 ZINC000881855531 1006243683 /nfs/dbraw/zinc/24/36/83/1006243683.db2.gz YBKSKFDWJLHPHY-FQEVSTJZSA-N 1 0 371.525 2.794 20 10 FFCDRO COCc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC000881854366 1006244578 /nfs/dbraw/zinc/24/45/78/1006244578.db2.gz CUGFPEORHVYNBC-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000853101090 1006297012 /nfs/dbraw/zinc/29/70/12/1006297012.db2.gz UCAYYDKCHCKRRQ-KDOFPFPSSA-N 1 0 363.408 2.975 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000853243270 1006347715 /nfs/dbraw/zinc/34/77/15/1006347715.db2.gz ATSCFZOYMKRAGE-ROUUACIJSA-N 1 0 374.529 2.838 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000853560382 1006445023 /nfs/dbraw/zinc/44/50/23/1006445023.db2.gz OUIGXRJKNJFNGB-GHTZIAJQSA-N 1 0 368.477 2.567 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]3CCCC3)C2)cc1 ZINC000853681314 1006503246 /nfs/dbraw/zinc/50/32/46/1006503246.db2.gz BVCJGABYIGTURU-FXAWDEMLSA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1ccc(COCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001134882230 1006524579 /nfs/dbraw/zinc/52/45/79/1006524579.db2.gz NARCTKYCHCZDCE-NRFANRHFSA-N 1 0 369.509 2.997 20 10 FFCDRO COc1ccc(N2CC[C@H](Nc3cc(N4CCSCC4)ncn3)C2)cc1 ZINC000853758596 1006527396 /nfs/dbraw/zinc/52/73/96/1006527396.db2.gz HZYZNHGFAWRGFZ-HNNXBMFYSA-N 1 0 371.510 2.729 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@H](CF)C1 ZINC000883578474 1006884196 /nfs/dbraw/zinc/88/41/96/1006884196.db2.gz VHDLKUFSDQVGIN-LJQANCHMSA-N 1 0 374.504 2.720 20 10 FFCDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000816637743 1007142414 /nfs/dbraw/zinc/14/24/14/1007142414.db2.gz NACHKUCQLVOSDH-HXUWFJFHSA-N 1 0 373.472 2.907 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000775372629 1007578368 /nfs/dbraw/zinc/57/83/68/1007578368.db2.gz DTMFBQWNXJHMRG-STQMWFEESA-N 1 0 363.458 2.598 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000817938685 1007816819 /nfs/dbraw/zinc/81/68/19/1007816819.db2.gz PUGUQAXSPHREHM-YWZLYKJASA-N 1 0 350.470 2.684 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)cc1 ZINC000818633059 1007957015 /nfs/dbraw/zinc/95/70/15/1007957015.db2.gz CJPFPCBGURJKAH-UHFFFAOYSA-N 1 0 354.454 2.816 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COc3ccccc3[N+](=O)[O-])ccc21 ZINC000818985047 1008001625 /nfs/dbraw/zinc/00/16/25/1008001625.db2.gz MEGNVEYBPPGOJU-QGZVFWFLSA-N 1 0 371.437 2.507 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(F)c1 ZINC000819121488 1008048577 /nfs/dbraw/zinc/04/85/77/1008048577.db2.gz LSSCWYWNZRKHPS-HXUWFJFHSA-N 1 0 362.420 2.749 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)cc1 ZINC000857062842 1008048962 /nfs/dbraw/zinc/04/89/62/1008048962.db2.gz OBTQMJRPVUZOGC-KTBYTZPXSA-N 1 0 354.498 2.945 20 10 FFCDRO C[N@H+](CCCN1C(=O)CN(Cc2ccccc2O)C1=O)C1CCCCC1 ZINC000819164568 1008053667 /nfs/dbraw/zinc/05/36/67/1008053667.db2.gz KGSAAWKPUJIJJH-UHFFFAOYSA-N 1 0 359.470 2.811 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C1CCC([NH+]2CCCCC2)CC1 ZINC000819167806 1008055399 /nfs/dbraw/zinc/05/53/99/1008055399.db2.gz HYWVJRHAHGHXDM-UHFFFAOYSA-N 1 0 371.481 2.954 20 10 FFCDRO C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819168016 1008055589 /nfs/dbraw/zinc/05/55/89/1008055589.db2.gz KWMWRZBHLULHAJ-HZPDHXFCSA-N 1 0 371.481 2.809 20 10 FFCDRO COc1cc2c(cc1NC[C@@H](O)CN1CC[NH+](C)CC1)oc1ccccc12 ZINC000819398812 1008115778 /nfs/dbraw/zinc/11/57/78/1008115778.db2.gz QGXDXQHATQUPNF-OAHLLOKOSA-N 1 0 369.465 2.615 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000819589526 1008185671 /nfs/dbraw/zinc/18/56/71/1008185671.db2.gz SBBQJMXWIFITFE-INIZCTEOSA-N 1 0 357.498 2.512 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000819696033 1008208183 /nfs/dbraw/zinc/20/81/83/1008208183.db2.gz IRVRJMJSRZEJPM-OAGGEKHMSA-N 1 0 362.470 2.545 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000858280405 1008338772 /nfs/dbraw/zinc/33/87/72/1008338772.db2.gz RPBQDZWIPQDCIL-OAHLLOKOSA-N 1 0 366.458 2.516 20 10 FFCDRO Cc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c(C)n1-c1ccccc1 ZINC000858543508 1008379869 /nfs/dbraw/zinc/37/98/69/1008379869.db2.gz UIDKLMFVVVYKAR-UHFFFAOYSA-N 1 0 366.465 2.705 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)CC2)cc1 ZINC000858767160 1008419511 /nfs/dbraw/zinc/41/95/11/1008419511.db2.gz CKKKLAZZSUIYKA-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)Cc3ccccc3F)CC2)cc1 ZINC000886234571 1008606806 /nfs/dbraw/zinc/60/68/06/1008606806.db2.gz QKYFJWXUTUZDQU-IBGZPJMESA-N 1 0 358.457 2.996 20 10 FFCDRO Cc1nc(C)c(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC001177428555 1008620526 /nfs/dbraw/zinc/62/05/26/1008620526.db2.gz COMKGQHLJAZCGR-MRXNPFEDSA-N 1 0 358.511 2.751 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cncc(F)c1 ZINC000886324711 1008637757 /nfs/dbraw/zinc/63/77/57/1008637757.db2.gz DIKGAGXMPRTNLK-AWEZNQCLSA-N 1 0 356.445 2.773 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)CC1 ZINC000886325073 1008637837 /nfs/dbraw/zinc/63/78/37/1008637837.db2.gz SFKNOOOBXFGODP-UHFFFAOYSA-N 1 0 363.465 2.554 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000773702504 1008696900 /nfs/dbraw/zinc/69/69/00/1008696900.db2.gz OYRWSZVUAXINES-RTBURBONSA-N 1 0 359.514 2.507 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000886634595 1008785736 /nfs/dbraw/zinc/78/57/36/1008785736.db2.gz HQJURLFITXIEAC-PBHICJAKSA-N 1 0 355.438 2.806 20 10 FFCDRO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886747007 1008856989 /nfs/dbraw/zinc/85/69/89/1008856989.db2.gz IPROWUSFZOEFRN-INIZCTEOSA-N 1 0 359.514 2.683 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cc2)CC1 ZINC000886751671 1008860768 /nfs/dbraw/zinc/86/07/68/1008860768.db2.gz YEKAVKBXJSZFOI-SFTDATJTSA-N 1 0 371.525 2.826 20 10 FFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCOC1 ZINC000886785151 1008878001 /nfs/dbraw/zinc/87/80/01/1008878001.db2.gz KBXMPRFZPWVKQY-IEZWGBDMSA-N 1 0 366.477 2.755 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000823236006 1008958351 /nfs/dbraw/zinc/95/83/51/1008958351.db2.gz XTSDUJZSXHSCCV-ROUUACIJSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000860352091 1008960468 /nfs/dbraw/zinc/96/04/68/1008960468.db2.gz VKBSNBYPRMLEKO-UHFFFAOYSA-N 1 0 354.454 2.774 20 10 FFCDRO COc1ccc(C[NH2+]CCCCCCNC(=O)[C@]23C[C@H]2COC3)cc1C ZINC001178543853 1009028181 /nfs/dbraw/zinc/02/81/81/1009028181.db2.gz SWNVVFMYJWQJJQ-RXVVDRJESA-N 1 0 360.498 2.806 20 10 FFCDRO C[NH+](C)CCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001136751456 1009144684 /nfs/dbraw/zinc/14/46/84/1009144684.db2.gz IHPUZLWUZYODGW-UHFFFAOYSA-N 1 0 364.829 2.873 20 10 FFCDRO CN1CCN(c2ccc(CNc3cn(-c4ccccc4)nn3)cc2F)CC1 ZINC001179834911 1009465716 /nfs/dbraw/zinc/46/57/16/1009465716.db2.gz WYGZTSGARGZUHB-UHFFFAOYSA-N 1 0 366.444 2.770 20 10 FFCDRO C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670388 1010049678 /nfs/dbraw/zinc/04/96/78/1010049678.db2.gz OLOJAARCLZAACF-QGZVFWFLSA-N 1 0 367.497 2.736 20 10 FFCDRO C[C@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889674694 1010050374 /nfs/dbraw/zinc/05/03/74/1010050374.db2.gz RXFBFCLPHNZBLX-KRWDZBQOSA-N 1 0 367.497 2.526 20 10 FFCDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC001181588632 1010160486 /nfs/dbraw/zinc/16/04/86/1010160486.db2.gz IUIAKBKVSKZBPI-OAHLLOKOSA-N 1 0 366.458 2.852 20 10 FFCDRO COC(=O)[C@]1(OC)CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000863297667 1010162987 /nfs/dbraw/zinc/16/29/87/1010162987.db2.gz ZVPKUZRZXQIYRP-FQEVSTJZSA-N 1 0 359.422 2.781 20 10 FFCDRO COC[C@]1(C)C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000863340333 1010185779 /nfs/dbraw/zinc/18/57/79/1010185779.db2.gz KGZTUTSVNXRCQT-FQEVSTJZSA-N 1 0 359.422 2.569 20 10 FFCDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863583035 1010263401 /nfs/dbraw/zinc/26/34/01/1010263401.db2.gz KYMZYJNLJLCZGD-UWJYYQICSA-N 1 0 360.498 2.905 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCCOC3)C[C@H]2C)cc1C ZINC001093672180 1010453994 /nfs/dbraw/zinc/45/39/94/1010453994.db2.gz WDABMAWEZCQEOP-NZSAHSFTSA-N 1 0 360.498 2.614 20 10 FFCDRO O=c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c[nH]1 ZINC000865417270 1010780024 /nfs/dbraw/zinc/78/00/24/1010780024.db2.gz DZTHPTSUOUQSIF-UHFFFAOYSA-N 1 0 367.371 2.932 20 10 FFCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000865632914 1010831522 /nfs/dbraw/zinc/83/15/22/1010831522.db2.gz VBTAFJNCGSGVNI-UHFFFAOYSA-N 1 0 353.466 2.896 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000865780427 1010860762 /nfs/dbraw/zinc/86/07/62/1010860762.db2.gz ZDXXMSQRASDGSF-HXUWFJFHSA-N 1 0 360.498 2.839 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(O)c1C ZINC000866521517 1011008120 /nfs/dbraw/zinc/00/81/20/1011008120.db2.gz KLRJFKYLOHVTBD-OAHLLOKOSA-N 1 0 367.449 2.912 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(O)c1 ZINC000866520982 1011008129 /nfs/dbraw/zinc/00/81/29/1011008129.db2.gz HJWGFOLFNUZDLU-CQSZACIVSA-N 1 0 353.422 2.603 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c(O)c1C ZINC000866521516 1011008680 /nfs/dbraw/zinc/00/86/80/1011008680.db2.gz KLRJFKYLOHVTBD-HNNXBMFYSA-N 1 0 367.449 2.912 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)[C@@H](C)C1 ZINC000868263164 1011219781 /nfs/dbraw/zinc/21/97/81/1011219781.db2.gz LDVJTKUCHUSEBB-JZXOWHBKSA-N 1 0 363.502 2.889 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@H](C)C1 ZINC000868263167 1011220093 /nfs/dbraw/zinc/22/00/93/1011220093.db2.gz LDVJTKUCHUSEBB-RYRKJORJSA-N 1 0 363.502 2.889 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001274272973 1011348039 /nfs/dbraw/zinc/34/80/39/1011348039.db2.gz JCGHRSVRYFESBW-UHFFFAOYSA-N 1 0 358.482 2.897 20 10 FFCDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001171871075 1011491877 /nfs/dbraw/zinc/49/18/77/1011491877.db2.gz ZDWGDMWSTGEFCQ-QGZVFWFLSA-N 1 0 370.449 2.630 20 10 FFCDRO Oc1ccc(F)cc1C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000828079698 1032593357 /nfs/dbraw/zinc/59/33/57/1032593357.db2.gz YUFIESCPPIJROM-UHFFFAOYSA-N 1 0 372.444 2.538 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 ZINC000828079189 1032593398 /nfs/dbraw/zinc/59/33/98/1032593398.db2.gz LZRWWEUANOIIGT-UHFFFAOYSA-N 1 0 368.481 2.707 20 10 FFCDRO CN1C[C@H](c2cccnc2)C2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001275232350 1012114936 /nfs/dbraw/zinc/11/49/36/1012114936.db2.gz OSTZOQPYBLDMRS-GOSISDBHSA-N 1 0 351.450 2.625 20 10 FFCDRO CCOCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001275238834 1012122722 /nfs/dbraw/zinc/12/27/22/1012122722.db2.gz LOGMEZHPPWVOMJ-UHFFFAOYSA-N 1 0 360.498 2.942 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001275247507 1012134883 /nfs/dbraw/zinc/13/48/83/1012134883.db2.gz ASJPWRSIPNXDHX-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275248360 1012137903 /nfs/dbraw/zinc/13/79/03/1012137903.db2.gz NLOZUUJMOVDGTN-KUHUBIRLSA-N 1 0 366.889 2.895 20 10 FFCDRO CN1CC[C@]2(CCC[N@H+](Cc3cc(Br)ccc3O)CC2)C1=O ZINC001275248865 1012139715 /nfs/dbraw/zinc/13/97/15/1012139715.db2.gz UAHOXVCLSXBVKQ-KRWDZBQOSA-N 1 0 367.287 2.989 20 10 FFCDRO O=C1N(C2COC2)CC[C@@]12CCC[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001275254518 1012146493 /nfs/dbraw/zinc/14/64/93/1012146493.db2.gz RPTAQSIBICESQL-IBGZPJMESA-N 1 0 364.873 2.649 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173070498 1012238664 /nfs/dbraw/zinc/23/86/64/1012238664.db2.gz XRPGNKRULMOVHG-OCCSQVGLSA-N 1 0 364.442 2.658 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccc(O)c(O)c2)c1F ZINC001173178176 1012322456 /nfs/dbraw/zinc/32/24/56/1012322456.db2.gz JOYKOTJTEINGFG-LLVKDONJSA-N 1 0 364.373 2.917 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275386830 1012406817 /nfs/dbraw/zinc/40/68/17/1012406817.db2.gz ZQRRDINTBFMSBK-OAQYLSRUSA-N 1 0 360.498 2.942 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870861322 1012609522 /nfs/dbraw/zinc/60/95/22/1012609522.db2.gz PRVMEFGZLZFJNA-JGBTYHIZSA-N 1 0 371.525 2.792 20 10 FFCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000870879168 1012616834 /nfs/dbraw/zinc/61/68/34/1012616834.db2.gz WVSDSLMZLOGWBO-XEKQOVJPSA-N 1 0 365.424 2.500 20 10 FFCDRO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000870896766 1012624802 /nfs/dbraw/zinc/62/48/02/1012624802.db2.gz NSBUDPPMSBXENF-RBSFLKMASA-N 1 0 367.440 2.891 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)cc1 ZINC001275598177 1012675322 /nfs/dbraw/zinc/67/53/22/1012675322.db2.gz NBRDSFYOPYFPFY-HXUWFJFHSA-N 1 0 354.454 2.508 20 10 FFCDRO O=C1N(CC(F)F)CC[C@@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275675973 1012825597 /nfs/dbraw/zinc/82/55/97/1012825597.db2.gz LQIXWZXKPOTKBD-HXUWFJFHSA-N 1 0 363.452 2.976 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)Cc3ccccn3)CC2)cc1 ZINC000924580630 1017362523 /nfs/dbraw/zinc/36/25/23/1017362523.db2.gz WQYQSPBRDWWYRY-IBGZPJMESA-N 1 0 368.525 2.823 20 10 FFCDRO COc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000924726183 1017449300 /nfs/dbraw/zinc/44/93/00/1017449300.db2.gz LMCZYGYEYHYANR-RDJZCZTQSA-N 1 0 368.481 2.643 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)cc1 ZINC000924830539 1017508647 /nfs/dbraw/zinc/50/86/47/1017508647.db2.gz BUOXHOUQTCZOAP-DENIHFKCSA-N 1 0 373.541 2.612 20 10 FFCDRO CCn1nc(C)c([C@@H](C)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000924996574 1017574910 /nfs/dbraw/zinc/57/49/10/1017574910.db2.gz ZZTGKAMEMXRNQM-OAHLLOKOSA-N 1 0 374.508 2.738 20 10 FFCDRO CC1(C)[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925689927 1017819150 /nfs/dbraw/zinc/81/91/50/1017819150.db2.gz DQSQNFDOMDVQJG-CCKFTAQKSA-N 1 0 365.468 2.668 20 10 FFCDRO Cc1cc(C(=O)CN(C)C[C@H]2CCC[C@H]2O)c(C)n1-c1ccc(F)cn1 ZINC000828492391 1032726860 /nfs/dbraw/zinc/72/68/60/1032726860.db2.gz KIESVSFUUCSWOW-CRAIPNDOSA-N 1 0 359.445 2.904 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COC1CC[NH+](C)CC1 ZINC000929539615 1019494256 /nfs/dbraw/zinc/49/42/56/1019494256.db2.gz HQAJKWCTMDEPNK-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO CCOC(=O)[C@@H]1CC2(CN1Cc1cc(Cl)cc(C)c1O)CC[NH2+]CC2 ZINC001222230608 1032839520 /nfs/dbraw/zinc/83/95/20/1032839520.db2.gz BIMFXVQDJMBSML-INIZCTEOSA-N 1 0 366.889 2.861 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnn(C(F)F)c2)[NH+](C)C)cc1 ZINC000930663838 1020126085 /nfs/dbraw/zinc/12/60/85/1020126085.db2.gz QASPUEWNMXBXBO-HNNXBMFYSA-N 1 0 366.416 2.769 20 10 FFCDRO CC(C)[NH+]1CCN(CCCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000900027289 1020147589 /nfs/dbraw/zinc/14/75/89/1020147589.db2.gz SDRVGOTVUSLGED-UHFFFAOYSA-N 1 0 360.546 2.517 20 10 FFCDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000800308837 1020205246 /nfs/dbraw/zinc/20/52/46/1020205246.db2.gz BINRDNQMNBFCLF-PKOBYXMFSA-N 1 0 374.506 2.867 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NCCN2CCOC(C)(C)C2)cc1 ZINC000725723615 1020249063 /nfs/dbraw/zinc/24/90/63/1020249063.db2.gz DRVXCDDHRVYQOY-UHFFFAOYSA-N 1 0 355.482 2.935 20 10 FFCDRO C[C@H]1C(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CCC1 ZINC000900185582 1020250367 /nfs/dbraw/zinc/25/03/67/1020250367.db2.gz OVUXNXDEYJBIRE-KBXCAEBGSA-N 1 0 358.486 2.561 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(N2CCOC2=O)cc1 ZINC000725848571 1020269792 /nfs/dbraw/zinc/26/97/92/1020269792.db2.gz YOLZYZGOLYSGTI-GFCCVEGCSA-N 1 0 356.378 2.928 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)C[C@H]1CS(N)(=O)=O ZINC000902606575 1020334041 /nfs/dbraw/zinc/33/40/41/1020334041.db2.gz XOQVJRWWLFNMCB-OCCSQVGLSA-N 1 0 374.462 2.648 20 10 FFCDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000726238612 1020440311 /nfs/dbraw/zinc/44/03/11/1020440311.db2.gz PXJWIYYXGPEBEL-IRXDYDNUSA-N 1 0 358.530 2.989 20 10 FFCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000902759008 1020456658 /nfs/dbraw/zinc/45/66/58/1020456658.db2.gz MZPLKQLPSWYYNC-NLWGTHIKSA-N 1 0 359.514 2.826 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(C3CC3)n(C)n2)[NH+](C)C)cc1 ZINC000931486981 1020487284 /nfs/dbraw/zinc/48/72/84/1020487284.db2.gz OHUFTOFTLUDFLO-GOSISDBHSA-N 1 0 370.501 2.788 20 10 FFCDRO COCCO[C@H]1CCC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000800849434 1020592663 /nfs/dbraw/zinc/59/26/63/1020592663.db2.gz AODSPXLTDPAJBE-INIZCTEOSA-N 1 0 373.449 2.959 20 10 FFCDRO COCc1ccnc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000931832628 1020603187 /nfs/dbraw/zinc/60/31/87/1020603187.db2.gz OCWQJPIUBZWTKX-SFHVURJKSA-N 1 0 371.485 2.718 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCC[NH2+]C[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217947976 1032913868 /nfs/dbraw/zinc/91/38/68/1032913868.db2.gz LDXFAEIGYVOMNX-DOTOQJQBSA-N 1 0 369.392 2.945 20 10 FFCDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217951305 1032915739 /nfs/dbraw/zinc/91/57/39/1032915739.db2.gz RDNZBPBZIQTACJ-GDBMZVCRSA-N 1 0 369.392 2.945 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001217985828 1032935006 /nfs/dbraw/zinc/93/50/06/1032935006.db2.gz CTQLFUAXTMIXAX-LRDDRELGSA-N 1 0 351.402 2.935 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001116584522 1021294849 /nfs/dbraw/zinc/29/48/49/1021294849.db2.gz HJOTXWZIYPPAQA-ZBFHGGJFSA-N 1 0 360.479 2.817 20 10 FFCDRO Cc1cc(O[C@@H]2C[NH2+]CC[C@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218043959 1032969897 /nfs/dbraw/zinc/96/98/97/1032969897.db2.gz PKFNULVDYGAAMN-SJKOYZFVSA-N 1 0 351.402 2.853 20 10 FFCDRO C[NH+]1CCC(OCC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000934702133 1021361013 /nfs/dbraw/zinc/36/10/13/1021361013.db2.gz NDLUCSMZXGEIFC-UHFFFAOYSA-N 1 0 358.438 2.625 20 10 FFCDRO COc1c(C)c(O[C@@H]2CC[NH2+]C[C@@H]2F)cc2c1C(=O)c1ccccc1C2=O ZINC001218073828 1032979994 /nfs/dbraw/zinc/97/99/94/1032979994.db2.gz WLUUPYCDPUFHDC-JKSUJKDBSA-N 1 0 369.392 2.858 20 10 FFCDRO COc1ccc(C[NH2+]C[C@]23CCC[C@H]2CN(C(=O)c2cc[nH]n2)C3)cc1C ZINC001099384163 1022419694 /nfs/dbraw/zinc/41/96/94/1022419694.db2.gz ZPEOZZDWOJAEQT-UWJYYQICSA-N 1 0 368.481 2.759 20 10 FFCDRO NC(=O)C1CC[NH+](CCc2ccc(NCc3cc(F)ccc3O)cc2)CC1 ZINC000779048007 1022719367 /nfs/dbraw/zinc/71/93/67/1022719367.db2.gz ZJABTBPXLVHOQB-UHFFFAOYSA-N 1 0 371.456 2.883 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(O)c1 ZINC000829295973 1033086327 /nfs/dbraw/zinc/08/63/27/1033086327.db2.gz CQTZHNXSUIAJLW-INIZCTEOSA-N 1 0 353.466 2.564 20 10 FFCDRO CC(C)[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000829296833 1033086949 /nfs/dbraw/zinc/08/69/49/1033086949.db2.gz OZYAQQFUUBZKAV-QUCCMNQESA-N 1 0 359.514 2.506 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(C)CCC3)cc2F)CC1 ZINC000752024352 1023027627 /nfs/dbraw/zinc/02/76/27/1023027627.db2.gz AWPHQIFZYXUYKE-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO COc1c(C)c(O[C@H]2C[NH2+]CC[C@H]2F)cc2c1C(=O)c1ccccc1C2=O ZINC001218323214 1033105409 /nfs/dbraw/zinc/10/54/09/1033105409.db2.gz ZMFRKTVDLMJKGL-WBVHZDCISA-N 1 0 369.392 2.858 20 10 FFCDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC001119935964 1023170428 /nfs/dbraw/zinc/17/04/28/1023170428.db2.gz LHNVHNZWABZSCX-HOCLYGCPSA-N 1 0 364.486 2.926 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189074728 1023201380 /nfs/dbraw/zinc/20/13/80/1023201380.db2.gz CAWHHKJYYHYELN-DYLHUKMJSA-N 1 0 359.426 2.846 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@@H]2C1 ZINC001120035002 1023216201 /nfs/dbraw/zinc/21/62/01/1023216201.db2.gz MGYRLPACKFMMAS-IRFCIJBXSA-N 1 0 368.525 2.935 20 10 FFCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H]1CCC[NH3+] ZINC001120488555 1023339517 /nfs/dbraw/zinc/33/95/17/1023339517.db2.gz FMHDQNCNBMASLB-YLJYHZDGSA-N 1 0 374.529 2.572 20 10 FFCDRO Nc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC001120590765 1023374515 /nfs/dbraw/zinc/37/45/15/1023374515.db2.gz QUXUVNFNKWOAGQ-LJQANCHMSA-N 1 0 352.482 2.633 20 10 FFCDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001218395081 1033136771 /nfs/dbraw/zinc/13/67/71/1033136771.db2.gz ZZYZNIOFEFXVJL-FOIQADDNSA-N 1 0 368.437 2.661 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000755121952 1023567477 /nfs/dbraw/zinc/56/74/77/1023567477.db2.gz YEIOKZOUIICTHF-VVBPWWLESA-N 1 0 367.493 2.912 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000756705045 1023747831 /nfs/dbraw/zinc/74/78/31/1023747831.db2.gz USXTVZQOPPZXPN-LJQANCHMSA-N 1 0 358.530 2.934 20 10 FFCDRO Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)n(C2CC[NH+](C)CC2)n1 ZINC000779527233 1023956908 /nfs/dbraw/zinc/95/69/08/1023956908.db2.gz DKNSMHOJJMCHJQ-GQCTYLIASA-N 1 0 356.426 2.521 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1N1CCCCC1 ZINC000758507754 1024146131 /nfs/dbraw/zinc/14/61/31/1024146131.db2.gz XRWDYOPXRGARPR-INIZCTEOSA-N 1 0 355.442 2.955 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000758849367 1024340650 /nfs/dbraw/zinc/34/06/50/1024340650.db2.gz VSLQHQOFEMKUEO-SFHVURJKSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(O)c3O)CC[N@@H+]2C2CC2)c1 ZINC000193154667 1024405058 /nfs/dbraw/zinc/40/50/58/1024405058.db2.gz JAIVTMGNJASHNL-IEBWSBKVSA-N 1 0 368.433 2.814 20 10 FFCDRO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000759693149 1024725293 /nfs/dbraw/zinc/72/52/93/1024725293.db2.gz SJFKSVJJLNSAPM-LJQANCHMSA-N 1 0 372.557 2.661 20 10 FFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)CC[C@@H]21 ZINC001141140667 1025508240 /nfs/dbraw/zinc/50/82/40/1025508240.db2.gz ILOQXLOKADJMHX-ROUUACIJSA-N 1 0 357.498 2.594 20 10 FFCDRO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141142904 1025515359 /nfs/dbraw/zinc/51/53/59/1025515359.db2.gz GBAWBDJUTMPOHV-OAQYLSRUSA-N 1 0 357.498 2.738 20 10 FFCDRO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141145406 1025521606 /nfs/dbraw/zinc/52/16/06/1025521606.db2.gz BRBZHOGMMPCNTM-UHFFFAOYSA-N 1 0 357.498 2.738 20 10 FFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@@H]2CCCO[C@H]12 ZINC001141157692 1025538975 /nfs/dbraw/zinc/53/89/75/1025538975.db2.gz MQYCPLIPEVOBHG-DLVCFXQMSA-N 1 0 372.465 2.802 20 10 FFCDRO Oc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001141160112 1025543277 /nfs/dbraw/zinc/54/32/77/1025543277.db2.gz QDDBENDSVYHZNU-VQIMIIECSA-N 1 0 358.413 2.574 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2C)cc1 ZINC000837306623 1025713924 /nfs/dbraw/zinc/71/39/24/1025713924.db2.gz PBODASDFALDWFO-SJORKVTESA-N 1 0 353.466 2.784 20 10 FFCDRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000838529527 1026401176 /nfs/dbraw/zinc/40/11/76/1026401176.db2.gz OWYPSUJMHBSYNA-QGZVFWFLSA-N 1 0 374.529 2.979 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2cn3cccnc3n2)C1 ZINC000838946594 1026546615 /nfs/dbraw/zinc/54/66/15/1026546615.db2.gz YCJRKEXFFKLQPU-INIZCTEOSA-N 1 0 371.872 2.843 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC12COC2 ZINC000840100309 1026956102 /nfs/dbraw/zinc/95/61/02/1026956102.db2.gz WPUNOJZYGCFSHL-GOSISDBHSA-N 1 0 371.433 2.566 20 10 FFCDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000840154690 1026987750 /nfs/dbraw/zinc/98/77/50/1026987750.db2.gz UOFBZSADYHMDMR-UHFFFAOYSA-N 1 0 354.410 2.506 20 10 FFCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001141814135 1027008381 /nfs/dbraw/zinc/00/83/81/1027008381.db2.gz UDXPBKGOMLZGNY-UHFFFAOYSA-N 1 0 354.450 2.730 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000840478411 1027088229 /nfs/dbraw/zinc/08/82/29/1027088229.db2.gz GOKIUPCCPWXBFY-MSOLQXFVSA-N 1 0 360.546 2.975 20 10 FFCDRO CC[C@@H](C)OCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092012428 1027196682 /nfs/dbraw/zinc/19/66/82/1027196682.db2.gz QWXNVJDKPOEKNU-QGZVFWFLSA-N 1 0 359.514 2.650 20 10 FFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(OC)c3O)[C@H](C)C2)cc1 ZINC000092659839 1027394028 /nfs/dbraw/zinc/39/40/28/1027394028.db2.gz MUYTZPBRQOKIRA-OAHLLOKOSA-N 1 0 370.449 2.898 20 10 FFCDRO CCOc1cccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000092665205 1027395100 /nfs/dbraw/zinc/39/51/00/1027395100.db2.gz AVTDYCBWXMIEOZ-QZTJIDSGSA-N 1 0 361.530 2.781 20 10 FFCDRO Oc1cccc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000092789554 1027455686 /nfs/dbraw/zinc/45/56/86/1027455686.db2.gz XJNRHNSMEHQDKX-UHFFFAOYSA-N 1 0 367.493 2.547 20 10 FFCDRO COc1cc2c(cc1Nc1ccc3c(c1)CCCN3)NC(=O)[C@@]21CC[NH2+]C1 ZINC001160363363 1027686443 /nfs/dbraw/zinc/68/64/43/1027686443.db2.gz UYNSJWRHQRWMIK-OAQYLSRUSA-N 1 0 364.449 2.980 20 10 FFCDRO CN(C)c1nccnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160618647 1027777290 /nfs/dbraw/zinc/77/72/90/1027777290.db2.gz GORANNWYCVXQFF-QZTJIDSGSA-N 1 0 365.437 2.807 20 10 FFCDRO COc1ccc(CSC[C@H]([NH3+])C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001160872668 1027906215 /nfs/dbraw/zinc/90/62/15/1027906215.db2.gz OPYAWYUPIPDKDD-SFHVURJKSA-N 1 0 372.490 2.546 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001161135517 1028029540 /nfs/dbraw/zinc/02/95/40/1028029540.db2.gz YDEZGLJRSYFGMK-IBGZPJMESA-N 1 0 365.481 2.547 20 10 FFCDRO C[C@@]1(CC(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC001161532697 1028218346 /nfs/dbraw/zinc/21/83/46/1028218346.db2.gz WXSNNDMCLLZHHF-KRWDZBQOSA-N 1 0 371.403 2.624 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C)cc1C ZINC001103967128 1028430120 /nfs/dbraw/zinc/43/01/20/1028430120.db2.gz UYRFIBMELSHALN-QRQLOZEOSA-N 1 0 360.498 2.614 20 10 FFCDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC001162717103 1028630336 /nfs/dbraw/zinc/63/03/36/1028630336.db2.gz FQIFPCDAHCESLR-AWEZNQCLSA-N 1 0 367.446 2.549 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4occc43)CC2)cc1 ZINC001164327243 1029247233 /nfs/dbraw/zinc/24/72/33/1029247233.db2.gz GCBVYXINCASPIG-UHFFFAOYSA-N 1 0 367.453 2.856 20 10 FFCDRO COC(=O)c1cc(C)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156656965 1029290417 /nfs/dbraw/zinc/29/04/17/1029290417.db2.gz FLBOPIDUBYNQCA-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO CCOC(=O)c1cc(F)cnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656503 1029290974 /nfs/dbraw/zinc/29/09/74/1029290974.db2.gz WTMDQPUPDHPUER-UHFFFAOYSA-N 1 0 372.444 2.761 20 10 FFCDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936277 1029933223 /nfs/dbraw/zinc/93/32/23/1029933223.db2.gz ICONPPNIVPHYEJ-NRFANRHFSA-N 1 0 369.509 2.525 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@](O)(c1nccn1C)C(F)(F)F ZINC000840936242 1029933257 /nfs/dbraw/zinc/93/32/57/1029933257.db2.gz HILKVGAOHSIHJQ-KRWDZBQOSA-N 1 0 370.419 2.724 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1c2ccccc2OCC1=O ZINC000840935656 1029934064 /nfs/dbraw/zinc/93/40/64/1029934064.db2.gz XHCGSBWTKZPLGS-UHFFFAOYSA-N 1 0 353.466 2.966 20 10 FFCDRO O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000841165841 1030083679 /nfs/dbraw/zinc/08/36/79/1030083679.db2.gz GCSBBHPDSFUXQU-UHFFFAOYSA-N 1 0 351.410 2.909 20 10 FFCDRO [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000841200969 1030104789 /nfs/dbraw/zinc/10/47/89/1030104789.db2.gz IJZWLBDJTXYCKY-QGZVFWFLSA-N 1 0 351.410 2.894 20 10 FFCDRO [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000841200968 1030105126 /nfs/dbraw/zinc/10/51/26/1030105126.db2.gz IJZWLBDJTXYCKY-KRWDZBQOSA-N 1 0 351.410 2.894 20 10 FFCDRO O=C(NCc1ccccc1O)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841276864 1030151014 /nfs/dbraw/zinc/15/10/14/1030151014.db2.gz ZDWUTTFUYCRYQM-QGZVFWFLSA-N 1 0 369.421 2.623 20 10 FFCDRO Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000841299744 1030170375 /nfs/dbraw/zinc/17/03/75/1030170375.db2.gz JKCVDNMYHCOCHT-UHFFFAOYSA-N 1 0 354.454 2.547 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000841317469 1030190724 /nfs/dbraw/zinc/19/07/24/1030190724.db2.gz PXQSHLSOJWKAHB-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]2)c1O ZINC000697571170 1030296932 /nfs/dbraw/zinc/29/69/32/1030296932.db2.gz WKKZDHWQZMLXBD-UHFFFAOYSA-N 1 0 374.441 2.511 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841707047 1030419154 /nfs/dbraw/zinc/41/91/54/1030419154.db2.gz MNTNLAWHVZJTRX-UHFFFAOYSA-N 1 0 374.554 2.525 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841831216 1030493889 /nfs/dbraw/zinc/49/38/89/1030493889.db2.gz CZUNWRWEENSYJK-FQEVSTJZSA-N 1 0 354.498 2.736 20 10 FFCDRO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000841881706 1030519738 /nfs/dbraw/zinc/51/97/38/1030519738.db2.gz BTRLSUZAIUMEPP-MRXNPFEDSA-N 1 0 355.486 2.688 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc4[nH]cnc43)CC2)cc1 ZINC001142692504 1030730423 /nfs/dbraw/zinc/73/04/23/1030730423.db2.gz GUXPKRPYLDZUFC-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccccc1O)C2 ZINC001203552134 1030759379 /nfs/dbraw/zinc/75/93/79/1030759379.db2.gz BSXOOFQEAJAVBH-OAQYLSRUSA-N 1 0 351.450 2.802 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3O)CCO[C@@H]2C1 ZINC001203550215 1030759624 /nfs/dbraw/zinc/75/96/24/1030759624.db2.gz MNOBCDAHBQRRLY-SJLPKXTDSA-N 1 0 362.470 2.850 20 10 FFCDRO Cc1nc(CN2C[C@@]3(CC[N@H+](Cc4ccccc4O)C3)CC2=O)cs1 ZINC001203552993 1030764183 /nfs/dbraw/zinc/76/41/83/1030764183.db2.gz XRXGKLDUSNUEBR-IBGZPJMESA-N 1 0 357.479 2.782 20 10 FFCDRO O=C(COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1O)C2)N1CCCC1 ZINC001203552918 1030764369 /nfs/dbraw/zinc/76/43/69/1030764369.db2.gz VJRJLBZIMVXMNP-NQIIRXRSSA-N 1 0 358.482 2.633 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1O ZINC001203591231 1030774744 /nfs/dbraw/zinc/77/47/44/1030774744.db2.gz DUBCQSOKWNQCAY-UWJYYQICSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)c1O ZINC001203591826 1030775086 /nfs/dbraw/zinc/77/50/86/1030775086.db2.gz LZSDUCLKRHADRL-QZTJIDSGSA-N 1 0 367.449 2.561 20 10 FFCDRO CCO[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001203634073 1030794727 /nfs/dbraw/zinc/79/47/27/1030794727.db2.gz OZBGPVOOCGGTOD-KRWDZBQOSA-N 1 0 364.490 2.641 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)c(O)c1 ZINC001203629415 1030794927 /nfs/dbraw/zinc/79/49/27/1030794927.db2.gz JBGJYSXNXVPTGD-UHFFFAOYSA-N 1 0 352.438 2.853 20 10 FFCDRO CCO[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001203634074 1030797166 /nfs/dbraw/zinc/79/71/66/1030797166.db2.gz OZBGPVOOCGGTOD-QGZVFWFLSA-N 1 0 364.490 2.641 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658367 1030806944 /nfs/dbraw/zinc/80/69/44/1030806944.db2.gz KTKWQXJUNDZLIA-XLIONFOSSA-N 1 0 371.868 2.969 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001203681297 1030825357 /nfs/dbraw/zinc/82/53/57/1030825357.db2.gz UIJHAPNBXXLCLB-CQSZACIVSA-N 1 0 356.397 2.770 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccnn3-c3ccccn3)C2)cc1 ZINC000842713994 1030917848 /nfs/dbraw/zinc/91/78/48/1030917848.db2.gz LOTWLALHJUPUNC-QGZVFWFLSA-N 1 0 363.465 2.892 20 10 FFCDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(N(C)C)cc3)CC2)C1 ZINC001203935653 1030995396 /nfs/dbraw/zinc/99/53/96/1030995396.db2.gz AMGHPKMVJXRZGT-SFHVURJKSA-N 1 0 359.514 2.602 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)cc1 ZINC001203938918 1030997809 /nfs/dbraw/zinc/99/78/09/1030997809.db2.gz KTAYRGPBYSUJMG-NJDAHSKKSA-N 1 0 371.525 2.648 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N3CCOCC3)C2)cc1 ZINC001203945442 1031000507 /nfs/dbraw/zinc/00/05/07/1031000507.db2.gz LYJLOKVWYUHWIH-IBGZPJMESA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000842882930 1031018960 /nfs/dbraw/zinc/01/89/60/1031018960.db2.gz BXFWTAHKIIOWBT-PBHICJAKSA-N 1 0 363.477 2.712 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(C)nc(Cl)c3)CC2)cc1 ZINC000797597882 1031159030 /nfs/dbraw/zinc/15/90/30/1031159030.db2.gz KSQXXXWXUFOGGI-UHFFFAOYSA-N 1 0 374.916 2.964 20 10 FFCDRO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204273824 1031201051 /nfs/dbraw/zinc/20/10/51/1031201051.db2.gz WIBFXODVQDMGKS-OAQYLSRUSA-N 1 0 370.424 2.862 20 10 FFCDRO CCC1=NC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C(=O)N1C ZINC001204329561 1031231737 /nfs/dbraw/zinc/23/17/37/1031231737.db2.gz PZOCFWHELVGCHW-UHFFFAOYSA-N 1 0 354.498 2.902 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@@H]21 ZINC001143104055 1031236704 /nfs/dbraw/zinc/23/67/04/1031236704.db2.gz BAUFYURUJPKGMX-RBUKOAKNSA-N 1 0 360.498 2.901 20 10 FFCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(Br)cc(OC)c3O)C[C@@H]2C1 ZINC001204341219 1031238078 /nfs/dbraw/zinc/23/80/78/1031238078.db2.gz BFASASYEBCLGTQ-KBPBESRZSA-N 1 0 369.303 2.937 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cc(O)c1O ZINC001204341463 1031238285 /nfs/dbraw/zinc/23/82/85/1031238285.db2.gz CTAGPZOZFUXOEJ-LJQANCHMSA-N 1 0 368.433 2.560 20 10 FFCDRO CCOCC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000799360104 1031746310 /nfs/dbraw/zinc/74/63/10/1031746310.db2.gz GDCOKDNUMRVHES-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001276881210 1033395565 /nfs/dbraw/zinc/39/55/65/1033395565.db2.gz KWPMTMTZCOBFAT-LBPRGKRZSA-N 1 0 371.250 2.642 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1 ZINC000830202361 1033506997 /nfs/dbraw/zinc/50/69/97/1033506997.db2.gz PPPHZXTWKNSDLY-CQSZACIVSA-N 1 0 366.465 2.660 20 10 FFCDRO CN(C)c1c(F)cc(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1F ZINC001219120145 1033523097 /nfs/dbraw/zinc/52/30/97/1033523097.db2.gz RPDDVHBTCCWFCQ-UHFFFAOYSA-N 1 0 360.408 2.693 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnc2n1CCC2 ZINC000830543903 1033666559 /nfs/dbraw/zinc/66/65/59/1033666559.db2.gz IFCUDYNOYHEFNH-HNNXBMFYSA-N 1 0 374.872 2.583 20 10 FFCDRO CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)[NH3+] ZINC000830659543 1033729260 /nfs/dbraw/zinc/72/92/60/1033729260.db2.gz XVGRYKMOIKQUEV-VBQJREDUSA-N 1 0 369.456 2.992 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cccc(F)c4O)CC[N@@H+]3C2)n1 ZINC001138125289 1033804384 /nfs/dbraw/zinc/80/43/84/1033804384.db2.gz NHHWBAURBCQRCN-MOPGFXCFSA-N 1 0 371.456 2.710 20 10 FFCDRO O=C1N(CC(F)F)CC[C@]12CC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001276967431 1033862096 /nfs/dbraw/zinc/86/20/96/1033862096.db2.gz LXMLYAJJUJHFSH-INIZCTEOSA-N 1 0 362.779 2.874 20 10 FFCDRO Cc1c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c2ccccc2n1C ZINC001138255919 1034024533 /nfs/dbraw/zinc/02/45/33/1034024533.db2.gz XUWMVFDQKYSJQT-NJYVYQBISA-N 1 0 367.493 2.745 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)c2ccccc2n1C ZINC001138258272 1034028718 /nfs/dbraw/zinc/02/87/18/1034028718.db2.gz NZQRCRGEFTYICY-FUHWJXTLSA-N 1 0 359.470 2.557 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339171 1034169868 /nfs/dbraw/zinc/16/98/68/1034169868.db2.gz BACSDEIGCJJRDC-RHSMWYFYSA-N 1 0 358.482 2.722 20 10 FFCDRO CN1CCC2(CC[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)CC2)C1=O ZINC001138341883 1034172329 /nfs/dbraw/zinc/17/23/29/1034172329.db2.gz LUSCHIBFBGFMOT-UHFFFAOYSA-N 1 0 369.509 2.535 20 10 FFCDRO Oc1c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc2c3c1CCCN3CCC2 ZINC001138341960 1034172731 /nfs/dbraw/zinc/17/27/31/1034172731.db2.gz NASIAPQZOYUDIL-QGZVFWFLSA-N 1 0 353.470 2.520 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277027059 1034174912 /nfs/dbraw/zinc/17/49/12/1034174912.db2.gz YMTAOPCAEUASOP-HXUWFJFHSA-N 1 0 364.461 2.689 20 10 FFCDRO Cc1cc(C)nc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138358188 1034195286 /nfs/dbraw/zinc/19/52/86/1034195286.db2.gz PLBQMSKMUREXEX-UHFFFAOYSA-N 1 0 351.498 2.798 20 10 FFCDRO COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138495748 1034333373 /nfs/dbraw/zinc/33/33/73/1034333373.db2.gz GOTHHQOBOOERGF-SFTDATJTSA-N 1 0 360.498 2.541 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138499700 1034340545 /nfs/dbraw/zinc/34/05/45/1034340545.db2.gz FHTLPSORXDGTCQ-HKUYNNGSSA-N 1 0 373.497 2.574 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC2(O)CCC2)cc1C ZINC001226120458 1034534047 /nfs/dbraw/zinc/53/40/47/1034534047.db2.gz UYFAPUIASMKWBZ-QZTJIDSGSA-N 1 0 360.498 2.826 20 10 FFCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676647 1034536844 /nfs/dbraw/zinc/53/68/44/1034536844.db2.gz QPYKBAUGMZNIMN-ZFWWWQNUSA-N 1 0 369.303 2.631 20 10 FFCDRO CC(C)Cn1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C1CC1 ZINC000832266782 1034688611 /nfs/dbraw/zinc/68/86/11/1034688611.db2.gz IMYSVSJBGSPGGO-LJQANCHMSA-N 1 0 369.513 2.912 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2cccc(N(C)C)c2)cc1 ZINC000832284227 1034700992 /nfs/dbraw/zinc/70/09/92/1034700992.db2.gz IJIYUBAOSDEOMU-FQEVSTJZSA-N 1 0 354.498 2.567 20 10 FFCDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1cccc(F)c1 ZINC000832286072 1034702187 /nfs/dbraw/zinc/70/21/87/1034702187.db2.gz VXRWFCFVDXWUAR-LIRRHRJNSA-N 1 0 371.456 2.917 20 10 FFCDRO CCOc1ccccc1CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293163 1034705559 /nfs/dbraw/zinc/70/55/59/1034705559.db2.gz QMCTYKFQQYZXKQ-LJQANCHMSA-N 1 0 355.482 2.900 20 10 FFCDRO COc1cc(CN2CCN(c3ccccc3F)CC2)cc(C[NH+](C)C)c1O ZINC001139256702 1035030251 /nfs/dbraw/zinc/03/02/51/1035030251.db2.gz HSVPGQGMWBHVGK-UHFFFAOYSA-N 1 0 373.472 2.924 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(OCc4ccccc4)C3)cc2)CC1 ZINC001139409535 1035093837 /nfs/dbraw/zinc/09/38/37/1035093837.db2.gz MDEAIQRUWUUHKD-UHFFFAOYSA-N 1 0 351.494 2.839 20 10 FFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001140053972 1035324031 /nfs/dbraw/zinc/32/40/31/1035324031.db2.gz HCUNNKCVLUFAPQ-GGPKGHCWSA-N 1 0 360.429 2.988 20 10 FFCDRO Oc1ccc(F)cc1CN1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001140055758 1035324458 /nfs/dbraw/zinc/32/44/58/1035324458.db2.gz SSLNLJQBAFEAFB-HNNXBMFYSA-N 1 0 368.412 2.834 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001140101630 1035341951 /nfs/dbraw/zinc/34/19/51/1035341951.db2.gz VFGVZELYLNTBHZ-YSVLISHTSA-N 1 0 368.271 2.781 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1O ZINC001140180568 1035369823 /nfs/dbraw/zinc/36/98/23/1035369823.db2.gz ITYYWZBUUQOKPN-XUVXKRRUSA-N 1 0 361.482 2.651 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c1O ZINC001140180160 1035369937 /nfs/dbraw/zinc/36/99/37/1035369937.db2.gz IVIUWITWPHUMRL-CDXJDZJCSA-N 1 0 358.482 2.611 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3OCCC[C@H]3C2)c1O ZINC001140179099 1035370007 /nfs/dbraw/zinc/37/00/07/1035370007.db2.gz CBFMVAMEDUNADX-DSKINZAPSA-N 1 0 372.509 2.905 20 10 FFCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000834502036 1035399921 /nfs/dbraw/zinc/39/99/21/1035399921.db2.gz MBWMKIRZCRAITF-LJQANCHMSA-N 1 0 355.457 2.930 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](CC)[NH+](C)C ZINC000834514024 1035402597 /nfs/dbraw/zinc/40/25/97/1035402597.db2.gz GTKLSGPGPIKFJK-GOSISDBHSA-N 1 0 363.502 2.715 20 10 FFCDRO O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CCOc1ccccc1 ZINC000834669388 1035426862 /nfs/dbraw/zinc/42/68/62/1035426862.db2.gz XLJOTAKDENCCTA-AEFFLSMTSA-N 1 0 352.434 2.649 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464819 1035485594 /nfs/dbraw/zinc/48/55/94/1035485594.db2.gz CBMWABRWKFQCGF-HNNXBMFYSA-N 1 0 354.878 2.941 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232196610 1035495394 /nfs/dbraw/zinc/49/53/94/1035495394.db2.gz CYNIELBRTZIQEI-OAHLLOKOSA-N 1 0 352.862 2.562 20 10 FFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232199441 1035496042 /nfs/dbraw/zinc/49/60/42/1035496042.db2.gz HMJJDISWPVXDGO-OAHLLOKOSA-N 1 0 366.889 2.952 20 10 FFCDRO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(Cl)c(O)cc4O)C[C@H]3O2)n1 ZINC001232258374 1035527916 /nfs/dbraw/zinc/52/79/16/1035527916.db2.gz WEBLCMSTBOOEOK-AMKSKSKJSA-N 1 0 365.817 2.795 20 10 FFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232266806 1035538441 /nfs/dbraw/zinc/53/84/41/1035538441.db2.gz ZIGQJMAWYFGPIC-GFCCVEGCSA-N 1 0 365.817 2.512 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001277211926 1035568931 /nfs/dbraw/zinc/56/89/31/1035568931.db2.gz CGRJABUCPKRZIY-BFUOFWGJSA-N 1 0 364.873 2.756 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC3(CCC(=O)N3C)CC2)c2ccccc2n1C ZINC001232404000 1035651378 /nfs/dbraw/zinc/65/13/78/1035651378.db2.gz IVFOWAJOURZEFI-UHFFFAOYSA-N 1 0 369.465 2.552 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001277661086 1035664087 /nfs/dbraw/zinc/66/40/87/1035664087.db2.gz FDBRUIMXMTUULZ-SGTLLEGYSA-N 1 0 352.862 2.974 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001140620454 1035744499 /nfs/dbraw/zinc/74/44/99/1035744499.db2.gz OULGJGUNXMUAFZ-NQIIRXRSSA-N 1 0 351.450 2.624 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC001140620187 1035745678 /nfs/dbraw/zinc/74/56/78/1035745678.db2.gz FSZCYKHWOQMOSS-KVSKMBFKSA-N 1 0 355.438 2.549 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001140620334 1035746848 /nfs/dbraw/zinc/74/68/48/1035746848.db2.gz KEDXASKVMMDJER-UXHICEINSA-N 1 0 353.466 2.571 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001140667413 1035828447 /nfs/dbraw/zinc/82/84/47/1035828447.db2.gz RVGHJUWCJSLHSC-UHFFFAOYSA-N 1 0 370.472 2.770 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1O ZINC001140744613 1036032767 /nfs/dbraw/zinc/03/27/67/1036032767.db2.gz DKAPHRNPNBLPGF-FQEVSTJZSA-N 1 0 354.454 2.689 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1O ZINC001140744971 1036036643 /nfs/dbraw/zinc/03/66/43/1036036643.db2.gz RHFSBMOXGUKSIG-MJGOQNOKSA-N 1 0 353.466 2.755 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1O ZINC001140745809 1036040533 /nfs/dbraw/zinc/04/05/33/1036040533.db2.gz NPFIAOGKTBILRT-UHFFFAOYSA-N 1 0 362.433 2.859 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1O ZINC001140749871 1036054463 /nfs/dbraw/zinc/05/44/63/1036054463.db2.gz ORFQZJHSIZJVSE-CQSZACIVSA-N 1 0 356.397 2.776 20 10 FFCDRO CN1CCC([N@H+](C)Cc2ccc(I)cc2O)CC1 ZINC001232974611 1036205168 /nfs/dbraw/zinc/20/51/68/1036205168.db2.gz OXYZAKMGSVOLGR-UHFFFAOYSA-N 1 0 360.239 2.523 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001232974070 1036207358 /nfs/dbraw/zinc/20/73/58/1036207358.db2.gz HQTQOBZSNDQRAU-SWLSCSKDSA-N 1 0 373.234 2.998 20 10 FFCDRO CC[N@H+](C)C1CCN(Cc2ccc(I)cc2O)CC1 ZINC001232977565 1036211513 /nfs/dbraw/zinc/21/15/13/1036211513.db2.gz DRSLBENFKMIBBJ-UHFFFAOYSA-N 1 0 374.266 2.913 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@@]2(CCO2)C1 ZINC001232980206 1036215376 /nfs/dbraw/zinc/21/53/76/1036215376.db2.gz NNAXDXIBGGCTKP-CQSZACIVSA-N 1 0 359.207 2.752 20 10 FFCDRO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009861 1036241768 /nfs/dbraw/zinc/24/17/68/1036241768.db2.gz FAWIPSWRZFPEIN-UHFFFAOYSA-N 1 0 366.458 2.930 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)CCS1 ZINC001140857317 1036294755 /nfs/dbraw/zinc/29/47/55/1036294755.db2.gz ORAJKILYHFFLPW-QGZVFWFLSA-N 1 0 352.500 2.719 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c(Cl)c1 ZINC001140925161 1036462432 /nfs/dbraw/zinc/46/24/32/1036462432.db2.gz OTUHFUJZSOQOCW-UHFFFAOYSA-N 1 0 365.905 2.666 20 10 FFCDRO CCOC(=O)c1c(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c2ccccc2n1C ZINC001233272745 1036480553 /nfs/dbraw/zinc/48/05/53/1036480553.db2.gz YYWSPYXIBUOPSD-BEFAXECRSA-N 1 0 355.482 2.881 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC001233286279 1036492869 /nfs/dbraw/zinc/49/28/69/1036492869.db2.gz NEPOKBLJRTYIJQ-UHFFFAOYSA-N 1 0 360.498 2.761 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2cc(C(C)(C)C)ccc2O)cn1 ZINC001233284779 1036493081 /nfs/dbraw/zinc/49/30/81/1036493081.db2.gz HTGZGTVIWZWGMI-QZTJIDSGSA-N 1 0 368.481 2.803 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@H]21 ZINC001233331635 1036538376 /nfs/dbraw/zinc/53/83/76/1036538376.db2.gz 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CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233483177 1036650571 /nfs/dbraw/zinc/65/05/71/1036650571.db2.gz PZPIBCVPMOJPEA-UHFFFAOYSA-N 1 0 364.442 2.779 20 10 FFCDRO C[N@@H+](Cc1cc(O)c(O)cc1O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233483951 1036650763 /nfs/dbraw/zinc/65/07/63/1036650763.db2.gz RWPWSCWVHHMYFN-UHFFFAOYSA-N 1 0 366.458 2.882 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)CN1c1ccc(F)cc1 ZINC001233484005 1036650979 /nfs/dbraw/zinc/65/09/79/1036650979.db2.gz UTIAUSJWJVYYBV-FQEVSTJZSA-N 1 0 372.396 2.572 20 10 FFCDRO Oc1c(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cccc1OC(F)(F)F ZINC001233754440 1036746971 /nfs/dbraw/zinc/74/69/71/1036746971.db2.gz FFKKKRJHZNHCHR-GASCZTMLSA-N 1 0 372.387 2.586 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(O)(Cc3ccccc3)CC2)c(OC)c1 ZINC001141031463 1036776319 /nfs/dbraw/zinc/77/63/19/1036776319.db2.gz FUFFUUGSHVQPOP-UHFFFAOYSA-N 1 0 357.450 2.979 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCN(C(C)C)C3=O)CC2)c(OC)c1 ZINC001141032652 1036778670 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DKEYQZLBKVBYKB-QRVBRYPASA-N 1 0 360.498 2.735 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1)C1CC1 ZINC001237058321 1038426844 /nfs/dbraw/zinc/42/68/44/1038426844.db2.gz YCHXSIZKOJYPBC-UHFFFAOYSA-N 1 0 372.387 2.824 20 10 FFCDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1ccc(N(C)C)c3ccccc13)CC2 ZINC001237062579 1038429641 /nfs/dbraw/zinc/42/96/41/1038429641.db2.gz NMDDORURLUWCRF-IFMALSPDSA-N 1 0 367.493 2.633 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c(Br)c1 ZINC001237067476 1038433429 /nfs/dbraw/zinc/43/34/29/1038433429.db2.gz JMGGFZUGMZONJZ-LLVKDONJSA-N 1 0 372.259 2.891 20 10 FFCDRO CO[C@@H](C)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001256237062 1038445504 /nfs/dbraw/zinc/44/55/04/1038445504.db2.gz PYGLBVPYTVBSLB-LPHOPBHVSA-N 1 0 364.534 2.810 20 10 FFCDRO OC[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@@H]1C(F)(F)F ZINC001237121772 1038448989 /nfs/dbraw/zinc/44/89/89/1038448989.db2.gz ZILPCUSEMJBXML-SCZZXKLOSA-N 1 0 359.266 2.893 20 10 FFCDRO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1O ZINC001278924033 1038457422 /nfs/dbraw/zinc/45/74/22/1038457422.db2.gz RDTUGELUCKSXFJ-ZNXRZULTSA-N 1 0 360.502 2.661 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CC2CCN(C(C)=O)CC2)C1 ZINC001208675987 1038482496 /nfs/dbraw/zinc/48/24/96/1038482496.db2.gz SDVRVLNJAWAWJH-UHFFFAOYSA-N 1 0 355.482 2.804 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001208963264 1038609601 /nfs/dbraw/zinc/60/96/01/1038609601.db2.gz BCTBUEYYAYZQLM-MRXNPFEDSA-N 1 0 355.482 2.804 20 10 FFCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001209340605 1038767630 /nfs/dbraw/zinc/76/76/30/1038767630.db2.gz YVQFIQOTJWMBLH-HNNXBMFYSA-N 1 0 355.482 2.694 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1 ZINC001278614648 1038813182 /nfs/dbraw/zinc/81/31/82/1038813182.db2.gz CMHIVOLAKMDVQU-WBVHZDCISA-N 1 0 358.404 2.928 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CN(Cc4ccc[nH]4)CCO3)C2)c1 ZINC001278614941 1038815922 /nfs/dbraw/zinc/81/59/22/1038815922.db2.gz GEFDPKYTRBGQJI-NRFANRHFSA-N 1 0 355.482 2.896 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001257644487 1038910330 /nfs/dbraw/zinc/91/03/30/1038910330.db2.gz VSXXRHGUJXUYSQ-RVSPLBMKSA-N 1 0 366.458 2.509 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(C)c1 ZINC001251200872 1039007168 /nfs/dbraw/zinc/00/71/68/1039007168.db2.gz YSOOUOWSPDCFNE-GOSISDBHSA-N 1 0 356.466 2.566 20 10 FFCDRO O=C1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCN1Cc1ccccc1 ZINC001258571952 1039435066 /nfs/dbraw/zinc/43/50/66/1039435066.db2.gz FUACAHVQTHVPPB-KRWDZBQOSA-N 1 0 370.449 2.517 20 10 FFCDRO c1ccc(C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[NH2+]2)cc1 ZINC001210311617 1039481683 /nfs/dbraw/zinc/48/16/83/1039481683.db2.gz LBIJKRMSDSHGOD-NRFANRHFSA-N 1 0 351.494 2.540 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C4CCCC4)C3=O)C2)c1O ZINC001276683302 1039516175 /nfs/dbraw/zinc/51/61/75/1039516175.db2.gz JLWVRFGFJFULMB-NRFANRHFSA-N 1 0 356.466 2.984 20 10 FFCDRO COc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001252900580 1039770204 /nfs/dbraw/zinc/77/02/04/1039770204.db2.gz NOXQTYWADQSBLV-LJQANCHMSA-N 1 0 356.466 2.825 20 10 FFCDRO COC(=O)c1cc(Br)cc(Nc2cc[nH+]cc2OC)c1O ZINC001211260510 1040043762 /nfs/dbraw/zinc/04/37/62/1040043762.db2.gz MWQQWJIVLFSSNJ-UHFFFAOYSA-N 1 0 353.172 2.510 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CCOCc3ccccc3)CC2)cc1 ZINC001253259038 1040074421 /nfs/dbraw/zinc/07/44/21/1040074421.db2.gz RDHVZEPQIZWQHN-OAQYLSRUSA-N 1 0 370.493 2.785 20 10 FFCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001253996356 1040499755 /nfs/dbraw/zinc/49/97/55/1040499755.db2.gz CECUTEIFWYBXLP-SFHVURJKSA-N 1 0 371.504 2.691 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(Cc3ccc(C)cc3)CC2)c(O)c1 ZINC001249201336 1040626352 /nfs/dbraw/zinc/62/63/52/1040626352.db2.gz OYVUVRDJJUIDDN-UHFFFAOYSA-N 1 0 368.477 2.734 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001249214683 1040629258 /nfs/dbraw/zinc/62/92/58/1040629258.db2.gz QFTSBNFOYLJDSK-INIZCTEOSA-N 1 0 364.442 2.506 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cccc(OC)c2OC)c(O)c1 ZINC001249214992 1040631635 /nfs/dbraw/zinc/63/16/35/1040631635.db2.gz UKPNOQDIOMNCKE-UHFFFAOYSA-N 1 0 359.422 2.757 20 10 FFCDRO CC1(C)C=Cc2c(O)c(CN3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)ccc2O1 ZINC001249244275 1040646616 /nfs/dbraw/zinc/64/66/16/1040646616.db2.gz DIUGKACSDJAKSW-HDICACEKSA-N 1 0 370.493 2.871 20 10 FFCDRO Cc1cnc(N2CC[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)CC2)nc1 ZINC001249258613 1040653849 /nfs/dbraw/zinc/65/38/49/1040653849.db2.gz KUOQVEHLSZBNEA-UHFFFAOYSA-N 1 0 366.465 2.997 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ncccc2Br)no1)c1ccccc1O ZINC001249339094 1040690409 /nfs/dbraw/zinc/69/04/09/1040690409.db2.gz IKDQXJXFSQPKSW-LLVKDONJSA-N 1 0 361.199 2.842 20 10 FFCDRO c1cncc(COc2ccc(N3CC[NH+]([C@H]4CCCOC4)CC3)cc2)c1 ZINC001254388135 1040695089 /nfs/dbraw/zinc/69/50/89/1040695089.db2.gz PTQLYMDQKLQVFK-FQEVSTJZSA-N 1 0 353.466 2.962 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254597339 1040827397 /nfs/dbraw/zinc/82/73/97/1040827397.db2.gz HNSNTJXXDVZSIM-LJQANCHMSA-N 1 0 353.422 2.893 20 10 FFCDRO Cc1ccccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001254670496 1040869659 /nfs/dbraw/zinc/86/96/59/1040869659.db2.gz NUBMJBDGXDZMHD-UHFFFAOYSA-N 1 0 360.479 2.644 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CCC3(COC3)CC2)c(O)c1 ZINC001249723903 1040961979 /nfs/dbraw/zinc/96/19/79/1040961979.db2.gz CYYZRTATZRXOHK-UHFFFAOYSA-N 1 0 363.454 2.727 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(O)c1 ZINC001249738071 1040973888 /nfs/dbraw/zinc/97/38/88/1040973888.db2.gz OWFXMSRNUGNQAE-IYBDPMFKSA-N 1 0 361.438 2.525 20 10 FFCDRO Cc1cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2O)C3)n(C)n1 ZINC001278551868 1041115678 /nfs/dbraw/zinc/11/56/78/1041115678.db2.gz NWYLBNJXTBBTRG-NRFANRHFSA-N 1 0 354.498 2.922 20 10 FFCDRO O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1O ZINC001278568606 1041202843 /nfs/dbraw/zinc/20/28/43/1041202843.db2.gz BVUXWWAQAGYIKO-TXEJJXNPSA-N 1 0 363.767 2.576 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCCC[NH2+]1 ZINC001261501649 1041274450 /nfs/dbraw/zinc/27/44/50/1041274450.db2.gz IJKRPCVONGYNFN-QGZVFWFLSA-N 1 0 367.440 2.905 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)COc3cccc(F)c3)CC2)cc1 ZINC001250809198 1041377047 /nfs/dbraw/zinc/37/70/47/1041377047.db2.gz FTILNMJVGXUKRL-IBGZPJMESA-N 1 0 374.456 2.786 20 10 FFCDRO Cc1nnc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC001262361834 1041658414 /nfs/dbraw/zinc/65/84/14/1041658414.db2.gz ZJUDKBUDPFQAEY-CQSZACIVSA-N 1 0 352.891 2.960 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000401681997 1041746281 /nfs/dbraw/zinc/74/62/81/1041746281.db2.gz VULVFXLVUALSKF-MRXNPFEDSA-N 1 0 364.442 2.999 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC001263092914 1042097342 /nfs/dbraw/zinc/09/73/42/1042097342.db2.gz KEZJJQLYPCLQLZ-OXQOHEQNSA-N 1 0 353.466 2.889 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001279149434 1042920370 /nfs/dbraw/zinc/92/03/70/1042920370.db2.gz AYFFZWHLQMNMFR-FQEVSTJZSA-N 1 0 351.494 2.919 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)c1 ZINC001279334041 1043008698 /nfs/dbraw/zinc/00/86/98/1043008698.db2.gz YZWYRGBHVMKCOG-OALUTQOASA-N 1 0 350.938 2.616 20 10 FFCDRO [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001279421475 1043094148 /nfs/dbraw/zinc/09/41/48/1043094148.db2.gz ITAAOLOKOXEXHS-BETUJISGSA-N 1 0 362.367 2.759 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)cc1Cl ZINC001279433526 1043107599 /nfs/dbraw/zinc/10/75/99/1043107599.db2.gz VJKOVRPQBIVGRE-XJKSGUPXSA-N 1 0 351.878 2.978 20 10 FFCDRO COc1ccc(N2CCN(Cc3n[nH]c4cc(OC)ccc43)CC2)cc1 ZINC001237395272 1043136571 /nfs/dbraw/zinc/13/65/71/1043136571.db2.gz GIECKDXOHRZQJE-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237415060 1043148849 /nfs/dbraw/zinc/14/88/49/1043148849.db2.gz MTDOALQOCSKANJ-FZMZJTMJSA-N 1 0 372.250 2.571 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2ccc(Cl)cc2O)c1 ZINC001237444622 1043169001 /nfs/dbraw/zinc/16/90/01/1043169001.db2.gz QYVVQYXNLAYYTJ-QGZVFWFLSA-N 1 0 360.841 2.979 20 10 FFCDRO CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237487885 1043201424 /nfs/dbraw/zinc/20/14/24/1043201424.db2.gz FMDNCZXMVMZHCM-SFHVURJKSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c(C)cccc2O)cs1 ZINC001237488206 1043202631 /nfs/dbraw/zinc/20/26/31/1043202631.db2.gz KBOURGJVTGFZGB-DLBZAZTESA-N 1 0 357.479 2.841 20 10 FFCDRO CCOC(=O)c1csc(N2CC[NH+](Cc3c(C)cccc3O)CC2)n1 ZINC001237488402 1043203841 /nfs/dbraw/zinc/20/38/41/1043203841.db2.gz WNWMEWSUUMDMHP-UHFFFAOYSA-N 1 0 361.467 2.656 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2[C@@H](COc3ncccn3)CC[C@@H]21 ZINC001237490381 1043205018 /nfs/dbraw/zinc/20/50/18/1043205018.db2.gz ULLGTDOCURQYKB-HHXXYDBFSA-N 1 0 355.438 2.549 20 10 FFCDRO [O-]c1c(F)cccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001279529404 1043228471 /nfs/dbraw/zinc/22/84/71/1043228471.db2.gz QCLZPTTUGJDDSW-UXHICEINSA-N 1 0 358.461 2.953 20 10 FFCDRO CN(C)C(=O)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237641288 1043288290 /nfs/dbraw/zinc/28/82/90/1043288290.db2.gz QTVLGCOSOOZJGI-UHFFFAOYSA-N 1 0 357.429 2.998 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)c(OC)c1 ZINC001237675272 1043303045 /nfs/dbraw/zinc/30/30/45/1043303045.db2.gz VEBFQLFNRYPBKC-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)c(O)c(OC)c1 ZINC001237674318 1043303551 /nfs/dbraw/zinc/30/35/51/1043303551.db2.gz QRGZNCGLIRMPEW-NRFANRHFSA-N 1 0 368.433 2.530 20 10 FFCDRO COc1cc(C[N@H+](Cc2cccnc2)C2CCOCC2)c(O)c(OC)c1 ZINC001237676254 1043304941 /nfs/dbraw/zinc/30/49/41/1043304941.db2.gz MGYFKIPHVBMMOG-UHFFFAOYSA-N 1 0 358.438 2.986 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(I)c3O)C[C@@H]21 ZINC001237784770 1043356876 /nfs/dbraw/zinc/35/68/76/1043356876.db2.gz YTJHLRKVNVIUFE-FZMZJTMJSA-N 1 0 372.250 2.523 20 10 FFCDRO CCCCc1ccc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001237815096 1043377370 /nfs/dbraw/zinc/37/73/70/1043377370.db2.gz XWVHZZPGTHBJQW-UHFFFAOYSA-N 1 0 359.495 2.977 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cc(C)nn2C)c(O)c1 ZINC001279663743 1043425429 /nfs/dbraw/zinc/42/54/29/1043425429.db2.gz CWNWCVMVOLATMU-KDURUIRLSA-N 1 0 354.498 2.845 20 10 FFCDRO [O-]c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)ccc(F)c1F ZINC001279697835 1043488867 /nfs/dbraw/zinc/48/88/67/1043488867.db2.gz XDJRHTNSBFFRCC-GASCZTMLSA-N 1 0 362.424 2.738 20 10 FFCDRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4cc(F)cc(C)c4O)C[C@@H]3C2)nn1 ZINC001238059459 1043505879 /nfs/dbraw/zinc/50/58/79/1043505879.db2.gz CVMJLDJBKVPUTO-NVXWUHKLSA-N 1 0 356.445 2.896 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c1O ZINC001238070823 1043515637 /nfs/dbraw/zinc/51/56/37/1043515637.db2.gz PNASAZJTPMIIAI-UHFFFAOYSA-N 1 0 358.413 2.982 20 10 FFCDRO COc1ccc(N2CC[N@@H+](C3CCCC3)C[C@]3(CCCC(=O)N3)C2)cc1 ZINC001279731392 1043546312 /nfs/dbraw/zinc/54/63/12/1043546312.db2.gz HNWRQSFBXACHOA-OAQYLSRUSA-N 1 0 357.498 2.799 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N4C[C@@H](C)O[C@@H](C)C4)(C2)C3)cc1C ZINC001279734253 1043553684 /nfs/dbraw/zinc/55/36/84/1043553684.db2.gz XTOMGTCJAFDFPS-XBLGPDGASA-N 1 0 358.482 2.652 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CC(F)(C4CC4)C3)C2)cc1 ZINC001279742993 1043570855 /nfs/dbraw/zinc/57/08/55/1043570855.db2.gz FNLZAVCHTZLONO-SFHVURJKSA-N 1 0 357.473 2.535 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C3CC(F)(F)C3)C2)cc1 ZINC001279744188 1043573755 /nfs/dbraw/zinc/57/37/55/1043573755.db2.gz RQWJHHPPBUIWHO-KRWDZBQOSA-N 1 0 363.452 2.831 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000756380119 1043600021 /nfs/dbraw/zinc/60/00/21/1043600021.db2.gz DYXDQIQVCJQHJH-PMACEKPBSA-N 1 0 359.514 2.952 20 10 FFCDRO C[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1)[C@H]1C[NH2+]CCO1 ZINC001238623473 1043794710 /nfs/dbraw/zinc/79/47/10/1043794710.db2.gz AUTAQJLTMQGONI-COOHFDTLSA-N 1 0 374.466 2.757 20 10 FFCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001279982265 1044031904 /nfs/dbraw/zinc/03/19/04/1044031904.db2.gz CGCAEUYOJKGZRO-CJNGLKHVSA-N 1 0 353.260 2.632 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001279983425 1044034380 /nfs/dbraw/zinc/03/43/80/1044034380.db2.gz KGBLQWGMQWBAFY-MRXNPFEDSA-N 1 0 366.889 2.753 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC001239223673 1044076952 /nfs/dbraw/zinc/07/69/52/1044076952.db2.gz RGNDBYYVBMBBGQ-UHFFFAOYSA-N 1 0 368.525 2.864 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001280027498 1044100922 /nfs/dbraw/zinc/10/09/22/1044100922.db2.gz BZSQOFPJEVYSND-QAPCUYQASA-N 1 0 358.461 2.762 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)Nc4cn[nH]c4)(C2)C3)c(Cl)c1 ZINC001280042825 1044126772 /nfs/dbraw/zinc/12/67/72/1044126772.db2.gz IZYKFZKEMUNVRI-UHFFFAOYSA-N 1 0 359.861 2.780 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3nccn3C)C2)c(Cl)c1 ZINC001280043389 1044127520 /nfs/dbraw/zinc/12/75/20/1044127520.db2.gz NKLYLVDCEBHBFJ-AUUYWEPGSA-N 1 0 373.888 2.600 20 10 FFCDRO CC[C@@H]1CO[C@@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313409300 1044347572 /nfs/dbraw/zinc/34/75/72/1044347572.db2.gz CFPUDLKAJJZHMK-KVSKMBFKSA-N 1 0 362.518 2.564 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC[C@@H](C(=O)N(C)C)C3)CC2)cc(O)c1O ZINC001280287944 1044549810 /nfs/dbraw/zinc/54/98/10/1044549810.db2.gz XOJUTJYIJOWUPF-OAHLLOKOSA-N 1 0 362.470 2.577 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2=Cc3ccccc3OC2)[NH+](C)C)cc1 ZINC001539236226 1070593836 /nfs/dbraw/zinc/59/38/36/1070593836.db2.gz QPZDYKJDDNZVKJ-HXUWFJFHSA-N 1 0 365.477 2.948 20 10 FFCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319835915 1045282467 /nfs/dbraw/zinc/28/24/67/1045282467.db2.gz GXGMGJOPIHVGND-HXUWFJFHSA-N 1 0 371.500 2.925 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccc(Br)cc1O ZINC001320246793 1045374860 /nfs/dbraw/zinc/37/48/60/1045374860.db2.gz PAFOUPOUMHDJCS-GFCCVEGCSA-N 1 0 357.292 2.510 20 10 FFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC001324436856 1046028062 /nfs/dbraw/zinc/02/80/62/1046028062.db2.gz OZWISBFHDWYOTI-KBPBESRZSA-N 1 0 370.291 2.827 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@H](C)[NH2+]C ZINC001325372236 1046488321 /nfs/dbraw/zinc/48/83/21/1046488321.db2.gz PLAJUOBJGWIQIX-NSHDSACASA-N 1 0 358.280 2.684 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C[NH3+])o2)cc1 ZINC001326751351 1047068291 /nfs/dbraw/zinc/06/82/91/1047068291.db2.gz JGGJIBHZTAUJHF-GOSISDBHSA-N 1 0 357.454 2.626 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC001328593878 1048372363 /nfs/dbraw/zinc/37/23/63/1048372363.db2.gz OXMOFWDVDXGDFQ-RVKKMQEKSA-N 1 0 363.477 2.588 20 10 FFCDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1 ZINC000829003974 1048617106 /nfs/dbraw/zinc/61/71/06/1048617106.db2.gz WFXWOGRAGXHQNI-VQTJNVASSA-N 1 0 368.477 2.860 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000738441019 1048685214 /nfs/dbraw/zinc/68/52/14/1048685214.db2.gz YLVMDAAZXXFNLG-HZPDHXFCSA-N 1 0 360.458 2.719 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1 ZINC001301180888 1050828079 /nfs/dbraw/zinc/82/80/79/1050828079.db2.gz MDVSVFHVEVCNJI-NRFANRHFSA-N 1 0 365.477 2.756 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001340843585 1051182216 /nfs/dbraw/zinc/18/22/16/1051182216.db2.gz IHMRNUXVFDIYBU-UHFFFAOYSA-N 1 0 371.506 2.801 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCCC3(F)F)cc2)CC1 ZINC001303084294 1051273560 /nfs/dbraw/zinc/27/35/60/1051273560.db2.gz DVEZQMCSVVNLRU-QGZVFWFLSA-N 1 0 351.441 2.880 20 10 FFCDRO CS[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001341075325 1051419617 /nfs/dbraw/zinc/41/96/17/1051419617.db2.gz CYDLIHHJJVMOHB-VQTJNVASSA-N 1 0 361.555 2.535 20 10 FFCDRO Cc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(N(C)C)cc1C ZINC001304238861 1051578572 /nfs/dbraw/zinc/57/85/72/1051578572.db2.gz XPHKTCQNVAZCFC-UZLBHIALSA-N 1 0 368.529 2.682 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3C[NH2+]CCC34CCC4)CC2)cc1 ZINC001343393818 1052203610 /nfs/dbraw/zinc/20/36/10/1052203610.db2.gz HQXUVFKWKHHSNO-LJQANCHMSA-N 1 0 357.498 2.514 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)c3ccc(CC[NH3+])cc3)CC2)cc1 ZINC001343421936 1052222103 /nfs/dbraw/zinc/22/21/03/1052222103.db2.gz TVKKNLMHCBKOSH-UHFFFAOYSA-N 1 0 353.466 2.595 20 10 FFCDRO C[C@@H](N)c1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC001343527644 1052285165 /nfs/dbraw/zinc/28/51/65/1052285165.db2.gz URMKCPHWQIPCGB-OCCSQVGLSA-N 1 0 361.467 2.690 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccc(N)cc3)C2=O)c1 ZINC001345159534 1052296846 /nfs/dbraw/zinc/29/68/46/1052296846.db2.gz JYZGJYOAHCHXQP-LJQANCHMSA-N 1 0 355.438 2.523 20 10 FFCDRO O=C1COc2ccccc2N1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001308295735 1052442471 /nfs/dbraw/zinc/44/24/71/1052442471.db2.gz NOVGLSIQROBDCU-UHFFFAOYSA-N 1 0 352.434 2.917 20 10 FFCDRO C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000754045816 1052445476 /nfs/dbraw/zinc/44/54/76/1052445476.db2.gz JXLDTLQFESLSKO-RDJZCZTQSA-N 1 0 363.458 2.869 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCCONC(=O)OC(C)(C)C)cc1F ZINC001308537789 1052466077 /nfs/dbraw/zinc/46/60/77/1052466077.db2.gz YLWRKBVNSPOXCL-UHFFFAOYSA-N 1 0 359.417 2.967 20 10 FFCDRO [O-]c1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ccc(F)c1F ZINC001308637182 1052480330 /nfs/dbraw/zinc/48/03/30/1052480330.db2.gz HPZAAAMCZRKFDJ-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1O ZINC001308657088 1052482755 /nfs/dbraw/zinc/48/27/55/1052482755.db2.gz OCLLWNJXALSOKU-UHFFFAOYSA-N 1 0 371.456 2.850 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)no1 ZINC001344439683 1052770829 /nfs/dbraw/zinc/77/08/29/1052770829.db2.gz XADQEEFWJOJPBL-PLNGDYQASA-N 1 0 368.481 2.957 20 10 FFCDRO O=C(N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1Cc2cccc(O)c2C1 ZINC001346699375 1053234545 /nfs/dbraw/zinc/23/45/45/1053234545.db2.gz HIBBUYSDABZMIM-UTKZUKDTSA-N 1 0 365.433 2.673 20 10 FFCDRO CC[C@H](C)n1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001347351178 1053877325 /nfs/dbraw/zinc/87/73/25/1053877325.db2.gz HNIOUIAKGJQMTP-KXBFYZLASA-N 1 0 357.502 2.953 20 10 FFCDRO Cc1nc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)sc1C ZINC001337748708 1054991474 /nfs/dbraw/zinc/99/14/74/1054991474.db2.gz LQRKRGOIPHWFDX-QGZVFWFLSA-N 1 0 360.527 2.788 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000847302365 1055430617 /nfs/dbraw/zinc/43/06/17/1055430617.db2.gz HERMNNNBOPAHBI-UYAOXDASSA-N 1 0 356.514 2.885 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CCNc3ccccc32)cc1 ZINC001338368198 1055451960 /nfs/dbraw/zinc/45/19/60/1055451960.db2.gz FKHKIHCOHCLRJG-APWZRJJASA-N 1 0 352.482 2.858 20 10 FFCDRO O=C(NCCCSc1nccs1)[C@@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC001357267996 1055850430 /nfs/dbraw/zinc/85/04/30/1055850430.db2.gz DAMUFTGLVOPJGR-HZPDHXFCSA-N 1 0 361.536 2.820 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001353330186 1056301559 /nfs/dbraw/zinc/30/15/59/1056301559.db2.gz RPYWUQJJVANCQI-HNAYVOBHSA-N 1 0 357.410 2.505 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000861773798 1056370896 /nfs/dbraw/zinc/37/08/96/1056370896.db2.gz RBNZEPMKOCLCAE-MJGOQNOKSA-N 1 0 365.477 2.930 20 10 FFCDRO COc1ccc(N2CCN(C(=O)COc3cc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000848515450 1060202699 /nfs/dbraw/zinc/20/26/99/1060202699.db2.gz WYRNWQYYKMTSPH-UHFFFAOYSA-N 1 0 369.465 2.743 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000848552449 1060263909 /nfs/dbraw/zinc/26/39/09/1060263909.db2.gz BMDHXBSDAODKEA-PGRDOPGGSA-N 1 0 373.541 2.755 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000848552448 1060265800 /nfs/dbraw/zinc/26/58/00/1060265800.db2.gz BMDHXBSDAODKEA-GCJKJVERSA-N 1 0 373.541 2.755 20 10 FFCDRO [NH3+]CCc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC001521556543 1060964290 /nfs/dbraw/zinc/96/42/90/1060964290.db2.gz WNAGNCYRZQMRBY-LJQANCHMSA-N 1 0 354.450 2.715 20 10 FFCDRO COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C2)s1 ZINC001462636867 1061700794 /nfs/dbraw/zinc/70/07/94/1061700794.db2.gz RRBZAFPNLCORJS-GFCCVEGCSA-N 1 0 362.451 2.942 20 10 FFCDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cccc(Br)c3O)C[N@@H+]2C1 ZINC001528323180 1061860250 /nfs/dbraw/zinc/86/02/50/1061860250.db2.gz PFBRRMNNBWMCCB-MRVWCRGKSA-N 1 0 367.287 2.891 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc(F)c2F)[NH+](C)C)cc1 ZINC001463281591 1062032801 /nfs/dbraw/zinc/03/28/01/1062032801.db2.gz MJHXJKUVDANRFL-GOSISDBHSA-N 1 0 361.436 2.992 20 10 FFCDRO CO[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)(C)C ZINC001479533586 1062504277 /nfs/dbraw/zinc/50/42/77/1062504277.db2.gz HLQNUWHLHKEYMO-MSOLQXFVSA-N 1 0 364.534 2.716 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)cc2F)CC1 ZINC001530377108 1062555668 /nfs/dbraw/zinc/55/56/68/1062555668.db2.gz OCQQZLNODWDDLX-BZZMCLGOSA-N 1 0 359.489 2.876 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001464644671 1062740109 /nfs/dbraw/zinc/74/01/09/1062740109.db2.gz VSSGSOWDPCQBPE-UHFFFAOYSA-N 1 0 364.392 2.509 20 10 FFCDRO C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001468118021 1063928852 /nfs/dbraw/zinc/92/88/52/1063928852.db2.gz WNZDMTQORYQPTE-MRXNPFEDSA-N 1 0 354.450 2.621 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C4CC4)CCC3)cc2)CC1 ZINC001469496154 1064156763 /nfs/dbraw/zinc/15/67/63/1064156763.db2.gz VGVGJTZRVWCADY-UHFFFAOYSA-N 1 0 356.514 2.818 20 10 FFCDRO Cc1ccc(F)c(N)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001472280641 1064998812 /nfs/dbraw/zinc/99/88/12/1064998812.db2.gz IHQMBICCFUJVIC-KRWDZBQOSA-N 1 0 358.461 2.815 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001473722495 1065333178 /nfs/dbraw/zinc/33/31/78/1065333178.db2.gz JQRJBYAEVQCGTP-HZPDHXFCSA-N 1 0 371.456 2.919 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC001474002488 1065438260 /nfs/dbraw/zinc/43/82/60/1065438260.db2.gz MPLUTFNRUOKCKF-WMLDXEAASA-N 1 0 351.447 2.527 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)C2=O)cc1 ZINC001474002094 1065438343 /nfs/dbraw/zinc/43/83/43/1065438343.db2.gz DFZXFRJDNCLJIN-LJQANCHMSA-N 1 0 371.456 2.791 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C ZINC001474019580 1065441850 /nfs/dbraw/zinc/44/18/50/1065441850.db2.gz DQLNEPJZDBIPOO-NHCUHLMSSA-N 1 0 354.494 2.976 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3CSCCS3)cc2F)CC1 ZINC001474042879 1065445285 /nfs/dbraw/zinc/44/52/85/1065445285.db2.gz QDUQRQDBZXCBJC-HNNXBMFYSA-N 1 0 355.548 2.516 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001474127794 1065460101 /nfs/dbraw/zinc/46/01/01/1065460101.db2.gz QQMQQYAYLNBACS-UHFFFAOYSA-N 1 0 365.477 2.944 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001474742181 1065595418 /nfs/dbraw/zinc/59/54/18/1065595418.db2.gz OCVAGPBNJOPYER-SFHVURJKSA-N 1 0 358.486 2.568 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578489650 1078480320 /nfs/dbraw/zinc/48/03/20/1078480320.db2.gz DGPDUDGCQNOYLW-REPLKXPHSA-N 1 0 356.514 2.959 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c2cc(F)ccc2n1C ZINC001578850602 1078533971 /nfs/dbraw/zinc/53/39/71/1078533971.db2.gz HGQMKDORUAJUSO-FQEVSTJZSA-N 1 0 359.445 2.680 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1CCC[NH2+]C1 ZINC001579902699 1078711003 /nfs/dbraw/zinc/71/10/03/1078711003.db2.gz KCAGRDBZOCJYBK-IBGZPJMESA-N 1 0 368.529 2.823 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001556640370 1075761410 /nfs/dbraw/zinc/76/14/10/1075761410.db2.gz JQIXZZROHJTDHA-KDURUIRLSA-N 1 0 369.509 2.930 20 10 FFCDRO CCCCCc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]n1 ZINC001558124380 1075946679 /nfs/dbraw/zinc/94/66/79/1075946679.db2.gz NWLSCFIHKQHSOB-UHFFFAOYSA-N 1 0 369.513 2.824 20 10 FFCDRO CCn1c(C)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001558123150 1075946826 /nfs/dbraw/zinc/94/68/26/1075946826.db2.gz BIMKUCHZUROEFN-UHFFFAOYSA-N 1 0 354.498 2.807 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c(C)c3ccccc3n2C)cc1 ZINC001560285432 1076260053 /nfs/dbraw/zinc/26/00/53/1076260053.db2.gz RUPHSKKBKDCFFQ-UHFFFAOYSA-N 1 0 371.506 2.826 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)cc1 ZINC001566562712 1076968870 /nfs/dbraw/zinc/96/88/70/1076968870.db2.gz MYIQSIKKHWAZIT-FQEVSTJZSA-N 1 0 359.514 2.854 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC001568604263 1077102641 /nfs/dbraw/zinc/10/26/41/1077102641.db2.gz CQRCXSBECPUNSO-YPMHNXCESA-N 1 0 355.276 2.891 20 10 FFCDRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589962066 1080905649 /nfs/dbraw/zinc/90/56/49/1080905649.db2.gz FQTHSDHSBHYLQC-AWEZNQCLSA-N 1 0 352.442 2.662 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1cc3c(cc1O)OCO3)CC2)N1CCCCC1 ZINC000373169527 512203974 /nfs/dbraw/zinc/20/39/74/512203974.db2.gz WMJCQFXBGAGNTP-MRXNPFEDSA-N 1 0 372.465 2.736 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116306 507910018 /nfs/dbraw/zinc/91/00/18/507910018.db2.gz KEJDWAIEYLMKDI-MSOLQXFVSA-N 1 0 355.486 2.722 20 10 FFCDRO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000074119623 507988955 /nfs/dbraw/zinc/98/89/55/507988955.db2.gz FWMHUCYPLUOHAM-OAHLLOKOSA-N 1 0 367.440 2.715 20 10 FFCDRO Cc1cc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000110018396 508000958 /nfs/dbraw/zinc/00/09/58/508000958.db2.gz ARXVXBRKMPNLAS-UHFFFAOYSA-N 1 0 368.525 2.804 20 10 FFCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000093869859 508157976 /nfs/dbraw/zinc/15/79/76/508157976.db2.gz OJQDQBGCPKNZIQ-GFCCVEGCSA-N 1 0 350.260 2.953 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000076491196 508213403 /nfs/dbraw/zinc/21/34/03/508213403.db2.gz FVNJIFGZMIGSBL-RZPZFSSYSA-N 1 0 371.525 2.725 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)no1 ZINC000371412527 512385054 /nfs/dbraw/zinc/38/50/54/512385054.db2.gz VRMAMJDXYRULAU-UHFFFAOYSA-N 1 0 360.433 2.583 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000104853145 508349152 /nfs/dbraw/zinc/34/91/52/508349152.db2.gz UAOBSJDZADFYCP-FQEVSTJZSA-N 1 0 354.450 2.549 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122221471 508501555 /nfs/dbraw/zinc/50/15/55/508501555.db2.gz AOFKOBNZRCZSRP-AWEZNQCLSA-N 1 0 357.429 2.612 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000122221588 508501902 /nfs/dbraw/zinc/50/19/02/508501902.db2.gz AOFKOBNZRCZSRP-CQSZACIVSA-N 1 0 357.429 2.612 20 10 FFCDRO OC1(c2cccnc2)CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000185693580 509306857 /nfs/dbraw/zinc/30/68/57/509306857.db2.gz DLRJDSYHRAVEJM-UHFFFAOYSA-N 1 0 367.493 2.838 20 10 FFCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cccc(C)c3O)CC2)cc1 ZINC000182670056 509360938 /nfs/dbraw/zinc/36/09/38/509360938.db2.gz VQNUIYIYWNFBRX-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000186029512 509489799 /nfs/dbraw/zinc/48/97/99/509489799.db2.gz KLTHZWPEZMNBHV-VHSXEESVSA-N 1 0 350.278 2.629 20 10 FFCDRO O=C(C[C@@H]1CCC[NH2+]1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166294051 509601884 /nfs/dbraw/zinc/60/18/84/509601884.db2.gz OCIBBWFDZWMPBZ-AWEZNQCLSA-N 1 0 353.413 2.515 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccccc3O)cc2)C[C@H](C)O1 ZINC000237548972 509676345 /nfs/dbraw/zinc/67/63/45/509676345.db2.gz GCMIJVSPZXFFGW-IYBDPMFKSA-N 1 0 354.450 2.931 20 10 FFCDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000237630911 509696217 /nfs/dbraw/zinc/69/62/17/509696217.db2.gz HKIQBNOCKGBWOT-IRXDYDNUSA-N 1 0 367.493 2.737 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000170779196 509772684 /nfs/dbraw/zinc/77/26/84/509772684.db2.gz OOEQMBHPZJDMGQ-IBGZPJMESA-N 1 0 363.479 2.741 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000268149422 509782565 /nfs/dbraw/zinc/78/25/65/509782565.db2.gz WFRMJMKNEUTKKB-GOSISDBHSA-N 1 0 364.449 2.902 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000186595821 509793113 /nfs/dbraw/zinc/79/31/13/509793113.db2.gz INNAIRJYZOMADM-AWEZNQCLSA-N 1 0 370.335 2.579 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180453005 509930881 /nfs/dbraw/zinc/93/08/81/509930881.db2.gz UEEDQTPQSICGEH-JSGCOSHPSA-N 1 0 374.300 2.870 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177339230 510002282 /nfs/dbraw/zinc/00/22/82/510002282.db2.gz ZPQPSIVMZZCDHF-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000269260724 510313252 /nfs/dbraw/zinc/31/32/52/510313252.db2.gz VTRVLKRLYCZKEL-MUIFIZLQSA-N 1 0 363.477 2.573 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000181263990 510327618 /nfs/dbraw/zinc/32/76/18/510327618.db2.gz MUVVYQZCYSVSDJ-SFHVURJKSA-N 1 0 367.493 2.533 20 10 FFCDRO C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000187810165 510450180 /nfs/dbraw/zinc/45/01/80/510450180.db2.gz QEGBLOCBBCBZNB-LBPRGKRZSA-N 1 0 351.397 2.857 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270116321 510682139 /nfs/dbraw/zinc/68/21/39/510682139.db2.gz FBXFEWFKVLHFTC-QGZVFWFLSA-N 1 0 362.493 2.765 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246894905 510732469 /nfs/dbraw/zinc/73/24/69/510732469.db2.gz UEEDQTPQSICGEH-TZMCWYRMSA-N 1 0 374.300 2.870 20 10 FFCDRO O=C1[C@@H]([N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000247705148 510868937 /nfs/dbraw/zinc/86/89/37/510868937.db2.gz RUNUBPYZAVVBQB-GJZGRUSLSA-N 1 0 372.387 2.536 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277089196 510953120 /nfs/dbraw/zinc/95/31/20/510953120.db2.gz VCVAATUYGQVWFF-UHFFFAOYSA-N 1 0 355.843 2.748 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc(OC)c1 ZINC000278259347 510986263 /nfs/dbraw/zinc/98/62/63/510986263.db2.gz QHYNDRGULMXOON-UHFFFAOYSA-N 1 0 362.382 2.958 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000278735657 511004879 /nfs/dbraw/zinc/00/48/79/511004879.db2.gz RMJBLQYSHHUAST-CYBMUJFWSA-N 1 0 354.878 2.739 20 10 FFCDRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287544064 511053078 /nfs/dbraw/zinc/05/30/78/511053078.db2.gz FFNDUABBLIGILX-GFCCVEGCSA-N 1 0 355.287 2.679 20 10 FFCDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1N ZINC000297782883 511067061 /nfs/dbraw/zinc/06/70/61/511067061.db2.gz WIQGCMRPJDMLEX-UHFFFAOYSA-N 1 0 371.485 2.545 20 10 FFCDRO OCCC[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000289421903 511100352 /nfs/dbraw/zinc/10/03/52/511100352.db2.gz JEPJIUDMQIASCH-UHFFFAOYSA-N 1 0 351.244 2.934 20 10 FFCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(OC)ccc2OC)c1O ZINC000271162062 511102775 /nfs/dbraw/zinc/10/27/75/511102775.db2.gz GGFUNBYKLXXSKU-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271462998 511213914 /nfs/dbraw/zinc/21/39/14/511213914.db2.gz GIDBIXXTTIZEDH-CQSZACIVSA-N 1 0 363.408 2.926 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298630879 511355088 /nfs/dbraw/zinc/35/50/88/511355088.db2.gz BLZXPKCEIOSJFP-SFHVURJKSA-N 1 0 363.502 2.815 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1 ZINC000295664220 511476120 /nfs/dbraw/zinc/47/61/20/511476120.db2.gz JQZWIZCXSHZDMZ-LJQANCHMSA-N 1 0 356.495 2.941 20 10 FFCDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc2ccccc2c1O ZINC000273592740 511545801 /nfs/dbraw/zinc/54/58/01/511545801.db2.gz POZCJQRUIVJHBQ-HNNXBMFYSA-N 1 0 355.482 2.749 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000273607175 511549371 /nfs/dbraw/zinc/54/93/71/511549371.db2.gz UMZQRQSQZRCLOQ-DLBZAZTESA-N 1 0 370.497 2.657 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1OCC(=O)N(C)C ZINC000299349876 511602767 /nfs/dbraw/zinc/60/27/67/511602767.db2.gz QSQUCECZUBBWJJ-UHFFFAOYSA-N 1 0 371.481 2.518 20 10 FFCDRO OCc1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000293639207 512035374 /nfs/dbraw/zinc/03/53/74/512035374.db2.gz LZTLXFLTILVKML-HXUWFJFHSA-N 1 0 355.486 2.598 20 10 FFCDRO CN1CCN(C)[C@@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293787723 512084397 /nfs/dbraw/zinc/08/43/97/512084397.db2.gz QLZGMYYMNDTOAV-PZJWPPBQSA-N 1 0 353.510 2.902 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000368040804 512775640 /nfs/dbraw/zinc/77/56/40/512775640.db2.gz JWKWBRBUNMBAJY-UHFFFAOYSA-N 1 0 363.845 2.777 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCOC2)C1 ZINC000435515471 513608081 /nfs/dbraw/zinc/60/80/81/513608081.db2.gz GZIJNJRJJDJRBZ-MRXNPFEDSA-N 1 0 355.482 2.561 20 10 FFCDRO COC1(C)CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444350795 514201824 /nfs/dbraw/zinc/20/18/24/514201824.db2.gz IIQCGRZLKSUCGV-UHFFFAOYSA-N 1 0 355.482 2.655 20 10 FFCDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475210076 514585697 /nfs/dbraw/zinc/58/56/97/514585697.db2.gz UALRIGPPPJBREC-UHFFFAOYSA-N 1 0 367.497 2.655 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455661219 514664900 /nfs/dbraw/zinc/66/49/00/514664900.db2.gz TWLFADJUCFQPKN-UHFFFAOYSA-N 1 0 354.458 2.567 20 10 FFCDRO COCCC[NH+]1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471832779 515024356 /nfs/dbraw/zinc/02/43/56/515024356.db2.gz AXNJVGOTIBPNRQ-UHFFFAOYSA-N 1 0 372.513 2.787 20 10 FFCDRO OC[C@@]1([NH2+]Cc2ccc(Br)cc2O)COc2ccccc2C1 ZINC000529644537 517263331 /nfs/dbraw/zinc/26/33/31/517263331.db2.gz OIFVGVSZCVWSKP-QGZVFWFLSA-N 1 0 364.239 2.611 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc4[nH]ccc43)CC1)[C@@H](O)CO2 ZINC000530107839 517571100 /nfs/dbraw/zinc/57/11/00/517571100.db2.gz IQWQFOAAFFAWAS-FQEVSTJZSA-N 1 0 365.433 2.622 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)cc1 ZINC000736774816 598360452 /nfs/dbraw/zinc/36/04/52/598360452.db2.gz YPTYFYCVDFMZBN-UHFFFAOYSA-N 1 0 368.510 2.956 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820433004 599392746 /nfs/dbraw/zinc/39/27/46/599392746.db2.gz UYNHWIKPJDBQAD-OAHLLOKOSA-N 1 0 364.453 2.554 20 10 FFCDRO O=C([O-])c1cc2ccccc2c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000740097594 600413372 /nfs/dbraw/zinc/41/33/72/600413372.db2.gz MVCPUQZQOWGWOQ-UHFFFAOYSA-N 1 0 363.417 2.961 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000824009895 608468623 /nfs/dbraw/zinc/46/86/23/608468623.db2.gz DZOFJKCCEYZQEJ-SNVBAGLBSA-N 1 0 355.373 2.765 20 10 FFCDRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)n1-c1cccc(Cl)c1 ZINC000153185985 728773868 /nfs/dbraw/zinc/77/38/68/728773868.db2.gz JTJUZNCESPJRRM-LJQANCHMSA-N 1 0 363.889 2.790 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000154592467 728807852 /nfs/dbraw/zinc/80/78/52/728807852.db2.gz YLWCJNSPGDJDTO-UHFFFAOYSA-N 1 0 363.512 2.552 20 10 FFCDRO Cn1cc([C@]2(C[NH2+]Cc3cc(Br)ccc3O)CCCO2)cn1 ZINC000898059155 735308754 /nfs/dbraw/zinc/30/87/54/735308754.db2.gz ZLTBPPWRHAFQIR-MRXNPFEDSA-N 1 0 366.259 2.684 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)c(Cl)c1 ZINC000898367500 735348132 /nfs/dbraw/zinc/34/81/32/735348132.db2.gz DXOZGTNUWDIGEF-SNVBAGLBSA-N 1 0 369.252 2.872 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000746721462 735507267 /nfs/dbraw/zinc/50/72/67/735507267.db2.gz ARFFHOPVIKFSGK-GJZGRUSLSA-N 1 0 350.482 2.954 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000092456149 728467479 /nfs/dbraw/zinc/46/74/79/728467479.db2.gz XNWVNKIDVGODIX-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000092585554 728468943 /nfs/dbraw/zinc/46/89/43/728468943.db2.gz GHZJBPNKULXFHJ-LLVKDONJSA-N 1 0 354.859 2.886 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1CC(F)F ZINC000093767109 728477694 /nfs/dbraw/zinc/47/76/94/728477694.db2.gz QQOSOPBEONOYNT-QGZVFWFLSA-N 1 0 353.457 2.685 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1nccs1 ZINC000112536830 728546292 /nfs/dbraw/zinc/54/62/92/728546292.db2.gz JUVZJMQBIBHCFN-ZIAGYGMSSA-N 1 0 360.483 2.658 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000177994701 729151496 /nfs/dbraw/zinc/15/14/96/729151496.db2.gz KDJQJBBUPKJEDP-MRXNPFEDSA-N 1 0 361.511 2.690 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnn(C)n1 ZINC000924906151 738460957 /nfs/dbraw/zinc/46/09/57/738460957.db2.gz JVBUSXYMGQSIQO-GFCCVEGCSA-N 1 0 351.401 2.736 20 10 FFCDRO CC(C)[C@@H](C[NH2+]Cc1c(O)cccc1Br)N1CCOCC1 ZINC000858090723 730416312 /nfs/dbraw/zinc/41/63/12/730416312.db2.gz QKQXYGROIIONJD-OAHLLOKOSA-N 1 0 357.292 2.601 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000858106857 730416809 /nfs/dbraw/zinc/41/68/09/730416809.db2.gz BKRPFPATGJUROY-GFCCVEGCSA-N 1 0 370.218 2.823 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000866578083 731076255 /nfs/dbraw/zinc/07/62/55/731076255.db2.gz JDMNSWKKNONDFI-LBPRGKRZSA-N 1 0 368.886 2.847 20 10 FFCDRO O=C(CC1CSC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000867152898 731149166 /nfs/dbraw/zinc/14/91/66/731149166.db2.gz UXHOEUFKICXNPE-UHFFFAOYSA-N 1 0 359.539 2.588 20 10 FFCDRO CN(C)[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000922750808 738195244 /nfs/dbraw/zinc/19/52/44/738195244.db2.gz FWRJCANUYKNWGL-QGZVFWFLSA-N 1 0 359.436 2.620 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874081646 732006942 /nfs/dbraw/zinc/00/69/42/732006942.db2.gz KKDYKKALMWIDQO-LJQANCHMSA-N 1 0 359.539 2.873 20 10 FFCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1 ZINC000876571437 732258154 /nfs/dbraw/zinc/25/81/54/732258154.db2.gz XTVNPKWJHJHDMV-UHFFFAOYSA-N 1 0 359.495 2.565 20 10 FFCDRO CO[C@]1(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000877071958 732321506 /nfs/dbraw/zinc/32/15/06/732321506.db2.gz VUJKRSNOQSRDFJ-KSSFIOAISA-N 1 0 356.413 2.652 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCc2ncnn21 ZINC000878152507 732489950 /nfs/dbraw/zinc/48/99/50/732489950.db2.gz INXRLGFRDCFHHY-CYBMUJFWSA-N 1 0 351.248 2.756 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000927078957 738688983 /nfs/dbraw/zinc/68/89/83/738688983.db2.gz BEXQBJJBHAAMDP-CMPLNLGQSA-N 1 0 360.248 2.619 20 10 FFCDRO [NH3+][C@H](CC1CC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203676 733494349 /nfs/dbraw/zinc/49/43/49/733494349.db2.gz BRBOPVXVPQEJMS-MRXNPFEDSA-N 1 0 353.413 2.500 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252862 734405389 /nfs/dbraw/zinc/40/53/89/734405389.db2.gz OFZGMXMNPGEFBN-SJORKVTESA-N 1 0 367.584 2.710 20 10 FFCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892622423 734581622 /nfs/dbraw/zinc/58/16/22/734581622.db2.gz OYJIGFKMADXVJC-JYJNAYRXSA-N 1 0 354.466 2.580 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)c(O)c1OC ZINC000892679513 734589792 /nfs/dbraw/zinc/58/97/92/734589792.db2.gz ODJDBLFIRHPXHW-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC(C)C)cc2F)CC1 ZINC000730132450 734617886 /nfs/dbraw/zinc/61/78/86/734617886.db2.gz DDZXIISCAKDVSQ-UHFFFAOYSA-N 1 0 350.482 2.765 20 10 FFCDRO C[C@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000731872508 734702581 /nfs/dbraw/zinc/70/25/81/734702581.db2.gz NESVEODMCZEGOK-LBPRGKRZSA-N 1 0 363.458 2.836 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000893645458 734732186 /nfs/dbraw/zinc/73/21/86/734732186.db2.gz JAFKNTWIJDYZRB-CQSZACIVSA-N 1 0 356.561 2.999 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(O)c1OC ZINC000894689838 734900769 /nfs/dbraw/zinc/90/07/69/734900769.db2.gz NCUAEZQNZQMPJT-NEPJUHHUSA-N 1 0 354.447 2.801 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c(O)c1OC ZINC000894857627 734928558 /nfs/dbraw/zinc/92/85/58/734928558.db2.gz CXZOXUJQUULFRZ-SUMWQHHRSA-N 1 0 365.451 2.834 20 10 FFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000895708307 735044163 /nfs/dbraw/zinc/04/41/63/735044163.db2.gz QMCIDAODXSOQLE-LZNQSLFOSA-N 1 0 350.356 2.825 20 10 FFCDRO C[C@]1(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)COC(=O)N1 ZINC000896459725 735165378 /nfs/dbraw/zinc/16/53/78/735165378.db2.gz NNIIHUWPSVDPFV-MRXNPFEDSA-N 1 0 369.259 2.865 20 10 FFCDRO O=C1NCCC2(CC[NH+](Cc3c(O)cccc3Br)CC2)O1 ZINC000897009869 735191747 /nfs/dbraw/zinc/19/17/47/735191747.db2.gz FHYZABZWGWYEFB-UHFFFAOYSA-N 1 0 355.232 2.619 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000897176441 735201388 /nfs/dbraw/zinc/20/13/88/735201388.db2.gz WLNBXZTTWSBJBB-HNNXBMFYSA-N 1 0 355.862 2.808 20 10 FFCDRO CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127129 735747119 /nfs/dbraw/zinc/74/71/19/735747119.db2.gz INSFFNKKUNYEJQ-KCXAZCMYSA-N 1 0 354.878 2.533 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(F)cn1 ZINC000752597056 736000678 /nfs/dbraw/zinc/00/06/78/736000678.db2.gz UAHSXGVYNIWOKP-HNNXBMFYSA-N 1 0 363.820 2.974 20 10 FFCDRO O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903327273 736076829 /nfs/dbraw/zinc/07/68/29/736076829.db2.gz ZBPBUQQSIKHFBZ-OLZOCXBDSA-N 1 0 374.238 2.690 20 10 FFCDRO C[C@@](O)(C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)F ZINC000905134673 736301012 /nfs/dbraw/zinc/30/10/12/736301012.db2.gz KZXNNJGWTZPATR-BDJLRTHQSA-N 1 0 350.356 2.863 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c1 ZINC000756382881 736326641 /nfs/dbraw/zinc/32/66/41/736326641.db2.gz FTIVPEBNYGZQBD-GFCCVEGCSA-N 1 0 350.440 2.623 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Br)ccc1O ZINC000756429734 736330808 /nfs/dbraw/zinc/33/08/08/736330808.db2.gz DNZAFLQWBNVKIZ-NSHDSACASA-N 1 0 374.242 2.981 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NCc2ccccc2)c(O)c1C ZINC000756476303 736334925 /nfs/dbraw/zinc/33/49/25/736334925.db2.gz SAKUMAOYSFQVRK-MRXNPFEDSA-N 1 0 362.495 2.779 20 10 FFCDRO C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000756543698 736340642 /nfs/dbraw/zinc/34/06/42/736340642.db2.gz HTSJQWOTFWIUEO-VXGBXAGGSA-N 1 0 374.298 2.580 20 10 FFCDRO COCCC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756766803 736360007 /nfs/dbraw/zinc/36/00/07/736360007.db2.gz ZSXJCFFWXIOPQN-DOMZBBRYSA-N 1 0 350.434 2.697 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000761200878 736706590 /nfs/dbraw/zinc/70/65/90/736706590.db2.gz YPNPSDCZBHUYNL-ZDUSSCGKSA-N 1 0 352.862 2.889 20 10 FFCDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(Br)ccc1O ZINC000763628221 736954716 /nfs/dbraw/zinc/95/47/16/736954716.db2.gz UQFGWZDAZKGMAM-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO CC(C)[NH+]1CCC(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000765729082 737149719 /nfs/dbraw/zinc/14/97/19/737149719.db2.gz YGIJXIWLSLZWSS-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H](O)C(F)(F)F ZINC000765790402 737158726 /nfs/dbraw/zinc/15/87/26/737158726.db2.gz WNXJLEZDFSZYPM-JOYOIKCWSA-N 1 0 372.181 2.955 20 10 FFCDRO [O-]c1c(Br)cccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000767188401 737299927 /nfs/dbraw/zinc/29/99/27/737299927.db2.gz JBSUFQJIQMZUQX-UHFFFAOYSA-N 1 0 354.273 2.789 20 10 FFCDRO c1cc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cs1 ZINC000768208179 737406810 /nfs/dbraw/zinc/40/68/10/737406810.db2.gz OUOWURBXHKYTNC-UHFFFAOYSA-N 1 0 357.523 2.903 20 10 FFCDRO CC(C)(C)NC(=S)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768293605 737412207 /nfs/dbraw/zinc/41/22/07/737412207.db2.gz AUWRMNKQKLQKCL-UHFFFAOYSA-N 1 0 360.571 2.981 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000769289238 737514646 /nfs/dbraw/zinc/51/46/46/737514646.db2.gz BCNQSQRNERTEIJ-CQSZACIVSA-N 1 0 355.276 2.988 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1sccc1C(N)=O ZINC000775834763 738129915 /nfs/dbraw/zinc/12/99/15/738129915.db2.gz PZFGMVLXDGAXOH-NWDGAFQWSA-N 1 0 360.483 2.591 20 10 FFCDRO Fc1cc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1N1CCOCC1 ZINC000922462346 738149597 /nfs/dbraw/zinc/14/95/97/738149597.db2.gz ODOJLNISACBSLJ-XJKSGUPXSA-N 1 0 362.367 2.862 20 10 FFCDRO COC(=O)c1cnc(CC[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000922835407 738207092 /nfs/dbraw/zinc/20/70/92/738207092.db2.gz WASAEVFUCIWNSZ-UHFFFAOYSA-N 1 0 371.256 2.730 20 10 FFCDRO C[N@H+](Cc1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787729551 739163123 /nfs/dbraw/zinc/16/31/23/739163123.db2.gz JCPSPBVWIYBOPE-LPHOPBHVSA-N 1 0 350.459 2.584 20 10 FFCDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000788502183 739251493 /nfs/dbraw/zinc/25/14/93/739251493.db2.gz HDQCANOCTHKXJR-ZDUSSCGKSA-N 1 0 364.287 2.855 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c1O ZINC000932093522 739385422 /nfs/dbraw/zinc/38/54/22/739385422.db2.gz LRTQMLFDECNAAT-SFHVURJKSA-N 1 0 366.845 2.959 20 10 FFCDRO CN(C)c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C(F)(F)F)c1 ZINC000792971014 739724966 /nfs/dbraw/zinc/72/49/66/739724966.db2.gz XTRMNBQPLFJTQB-HZPDHXFCSA-N 1 0 357.420 2.724 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cccc(OC)c2O)s1 ZINC000796530423 740150086 /nfs/dbraw/zinc/15/00/86/740150086.db2.gz KFYIKPXYXSTPTB-QWRGUYRKSA-N 1 0 364.471 2.568 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000797112441 740213186 /nfs/dbraw/zinc/21/31/86/740213186.db2.gz QBKOIQGKCGHHGL-QMTHXVAHSA-N 1 0 352.784 2.959 20 10 FFCDRO Cc1[nH+]ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1Cl ZINC000798389597 740327802 /nfs/dbraw/zinc/32/78/02/740327802.db2.gz ZSFRXWPBPJOWJZ-OAHLLOKOSA-N 1 0 358.873 2.779 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)cc(C)c1O)CC2 ZINC000808706176 741254351 /nfs/dbraw/zinc/25/43/51/741254351.db2.gz DTRDONNORWNRFN-YPMHNXCESA-N 1 0 350.850 2.758 20 10 FFCDRO COCCCn1nccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712492 741335865 /nfs/dbraw/zinc/33/58/65/741335865.db2.gz OVPFPBCMESMHKR-UHFFFAOYSA-N 1 0 354.248 2.678 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(F)ccc2O)s1 ZINC000809720518 741336456 /nfs/dbraw/zinc/33/64/56/741336456.db2.gz CWSQEEQRARHPLR-NXEZZACHSA-N 1 0 352.435 2.698 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809785485 741343543 /nfs/dbraw/zinc/34/35/43/741343543.db2.gz XEKAFQKKBDFYDB-CYBMUJFWSA-N 1 0 372.918 2.648 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1O ZINC000809789157 741343937 /nfs/dbraw/zinc/34/39/37/741343937.db2.gz ZOVBFCZDXYCTLP-VBNZEHGJSA-N 1 0 352.862 2.791 20 10 FFCDRO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1N(C)C ZINC000815012752 741881954 /nfs/dbraw/zinc/88/19/54/741881954.db2.gz LMTBWWUIXVSZBR-OAHLLOKOSA-N 1 0 361.511 2.901 20 10 FFCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997907 742227887 /nfs/dbraw/zinc/22/78/87/742227887.db2.gz ZZBHHWZPNFAVOP-CXAGYDPISA-N 1 0 358.511 2.728 20 10 FFCDRO CCOCC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002732 742323272 /nfs/dbraw/zinc/32/32/72/742323272.db2.gz OGGREJKBDZFNKQ-MRXNPFEDSA-N 1 0 358.429 2.634 20 10 FFCDRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000819290654 742369240 /nfs/dbraw/zinc/36/92/40/742369240.db2.gz KELWGLLJNDYSEC-RDJZCZTQSA-N 1 0 370.921 2.690 20 10 FFCDRO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824571100 743108105 /nfs/dbraw/zinc/10/81/05/743108105.db2.gz ISMGEVCBOANYTH-NSHDSACASA-N 1 0 362.829 2.502 20 10 FFCDRO O=C1CCCN1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824708325 743132067 /nfs/dbraw/zinc/13/20/67/743132067.db2.gz BMGAYQYGBUKORE-UHFFFAOYSA-N 1 0 353.260 2.742 20 10 FFCDRO CC[C@H](CO)[NH+]1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000824883768 743170839 /nfs/dbraw/zinc/17/08/39/743170839.db2.gz NKWYMBHOXVKRQD-MRXNPFEDSA-N 1 0 350.503 2.587 20 10 FFCDRO COCCOc1ccc(C[NH2+]Cc2ccc(Br)cc2O)cn1 ZINC000825120490 743212919 /nfs/dbraw/zinc/21/29/19/743212919.db2.gz LCAXAXOFQYKDMZ-UHFFFAOYSA-N 1 0 367.243 2.865 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)NCc1ccco1 ZINC000825425761 743268899 /nfs/dbraw/zinc/26/88/99/743268899.db2.gz JLSPCDBNGJKEOW-SNVBAGLBSA-N 1 0 353.216 2.542 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@]12CCCO2 ZINC000825514650 743285780 /nfs/dbraw/zinc/28/57/80/743285780.db2.gz REXXLCJJHXIWMB-ARFHVFGLSA-N 1 0 356.260 2.971 20 10 FFCDRO COc1cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825744253 743321473 /nfs/dbraw/zinc/32/14/73/743321473.db2.gz JBYOYBGNXUXOIW-HUUCEWRRSA-N 1 0 350.503 2.585 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1Cl ZINC000825816007 743331234 /nfs/dbraw/zinc/33/12/34/743331234.db2.gz KUFHDODLTMXXAC-XJKSGUPXSA-N 1 0 370.877 2.671 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000826029386 743357979 /nfs/dbraw/zinc/35/79/79/743357979.db2.gz FBNRXPLKJVYTJT-OAHLLOKOSA-N 1 0 354.219 2.987 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000826043612 743360657 /nfs/dbraw/zinc/36/06/57/743360657.db2.gz MDVBZLYMAVVHKF-CFVMTHIKSA-N 1 0 356.260 2.517 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(C(F)(F)F)c1 ZINC000830604598 745391926 /nfs/dbraw/zinc/39/19/26/745391926.db2.gz HGBMTWCKJJMSFZ-IYBDPMFKSA-N 1 0 357.420 2.724 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000830818815 745435863 /nfs/dbraw/zinc/43/58/63/745435863.db2.gz VTIZRWZPGRHWDD-SRCQZFHVSA-N 1 0 353.846 2.610 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000830818816 745435974 /nfs/dbraw/zinc/43/59/74/745435974.db2.gz VTIZRWZPGRHWDD-VMGRFDJRSA-N 1 0 353.846 2.610 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000834316446 745817166 /nfs/dbraw/zinc/81/71/66/745817166.db2.gz HAADSNSJOWNPQJ-SCLBCKFNSA-N 1 0 361.873 2.936 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(Br)cc1O ZINC000834850010 745914096 /nfs/dbraw/zinc/91/40/96/745914096.db2.gz IJLCYPHHQPZEBN-OCCSQVGLSA-N 1 0 357.292 2.652 20 10 FFCDRO CCNC(=O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838988092 746751602 /nfs/dbraw/zinc/75/16/02/746751602.db2.gz ZRYZPGMIJVSCKS-UHFFFAOYSA-N 1 0 354.292 2.665 20 10 FFCDRO CC(C)[NH+]1CCC(NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839146831 746788281 /nfs/dbraw/zinc/78/82/81/746788281.db2.gz WRRPSXHMSSLVRU-UHFFFAOYSA-N 1 0 353.457 2.764 20 10 FFCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(Cl)ccc1O ZINC000840780848 747181911 /nfs/dbraw/zinc/18/19/11/747181911.db2.gz ONHMRFDKQVSYGQ-AWEZNQCLSA-N 1 0 354.878 2.578 20 10 FFCDRO Cc1cc(O)c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Cl)c1 ZINC000840914009 747222373 /nfs/dbraw/zinc/22/23/73/747222373.db2.gz NXNFRRIDCVNUPO-MRXNPFEDSA-N 1 0 351.922 2.956 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000841041842 747259946 /nfs/dbraw/zinc/25/99/46/747259946.db2.gz FSDJWCUGKYDRGW-KRWDZBQOSA-N 1 0 361.873 2.967 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ncc(Br)s2)cc1 ZINC000841045864 747260670 /nfs/dbraw/zinc/26/06/70/747260670.db2.gz RQODPAULEALVNT-GFCCVEGCSA-N 1 0 355.305 2.761 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)C1 ZINC000841102868 747270238 /nfs/dbraw/zinc/27/02/38/747270238.db2.gz ANJVBDXAUPZILU-GDBMZVCRSA-N 1 0 369.303 2.873 20 10 FFCDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000841706747 747436895 /nfs/dbraw/zinc/43/68/95/747436895.db2.gz ILKNSZPSMXVEFG-OAHLLOKOSA-N 1 0 362.543 2.509 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1O ZINC000841744448 747446877 /nfs/dbraw/zinc/44/68/77/747446877.db2.gz HOMDODLZIRRCIR-CYBMUJFWSA-N 1 0 368.886 2.816 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)ccc1OCC(N)=O ZINC000841745779 747447449 /nfs/dbraw/zinc/44/74/49/747447449.db2.gz AKKNDVRSXGLHRR-LLVKDONJSA-N 1 0 364.829 2.769 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NCC3C[NH2+]C3)cc2Cl)C1 ZINC000841895864 747484125 /nfs/dbraw/zinc/48/41/25/747484125.db2.gz GWUYQYHJBBCKKU-ZDUSSCGKSA-N 1 0 350.894 2.595 20 10 FFCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CCO1 ZINC000843066278 747759799 /nfs/dbraw/zinc/75/97/99/747759799.db2.gz UAJYLAHJWFJTKK-HNNXBMFYSA-N 1 0 368.319 2.599 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000843125071 747777869 /nfs/dbraw/zinc/77/78/69/747777869.db2.gz MWOFPRPKYOIZMS-CQSZACIVSA-N 1 0 369.303 2.650 20 10 FFCDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000844173507 747983386 /nfs/dbraw/zinc/98/33/86/747983386.db2.gz GJGAVCUCNCIGJG-LJQANCHMSA-N 1 0 355.507 2.864 20 10 FFCDRO CC(C)C[N@H+](C)CCCNC(=O)NCc1cccc(Br)c1O ZINC000845311198 748224253 /nfs/dbraw/zinc/22/42/53/748224253.db2.gz JXMJBDJFTDSUNK-UHFFFAOYSA-N 1 0 372.307 2.932 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000846143221 748414783 /nfs/dbraw/zinc/41/47/83/748414783.db2.gz CUQVEIOCQLOYGP-CYBMUJFWSA-N 1 0 365.451 2.534 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCCC2CC[NH2+]CC2)cc1F ZINC000846145236 748415277 /nfs/dbraw/zinc/41/52/77/748415277.db2.gz MIUSYKOFFBMAQP-UHFFFAOYSA-N 1 0 350.482 2.861 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000846182300 748424991 /nfs/dbraw/zinc/42/49/91/748424991.db2.gz BLIAUZSCWFXBSV-WMZOPIPTSA-N 1 0 365.543 2.752 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CCO)CSC)c1O ZINC000848528737 748950943 /nfs/dbraw/zinc/95/09/43/748950943.db2.gz NVKSPSMAKRTROC-GXSJLCMTSA-N 1 0 364.305 2.928 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000848532801 748951842 /nfs/dbraw/zinc/95/18/42/748951842.db2.gz BAIAPJKNNALODF-MFKMUULPSA-N 1 0 371.275 2.823 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)OCCO)c1O ZINC000848550125 748957212 /nfs/dbraw/zinc/95/72/12/748957212.db2.gz DBNJFLOLILXQIV-SNVBAGLBSA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000848556051 748959276 /nfs/dbraw/zinc/95/92/76/748959276.db2.gz KULQQSBNYSOWCL-ZBEGNZNMSA-N 1 0 374.275 2.746 20 10 FFCDRO COc1cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850287814 749334058 /nfs/dbraw/zinc/33/40/58/749334058.db2.gz FMHIFUUPZGFGDR-PBHICJAKSA-N 1 0 353.503 2.946 20 10 FFCDRO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000850342477 749345363 /nfs/dbraw/zinc/34/53/63/749345363.db2.gz KHHJHAJCPDHMBW-UHFFFAOYSA-N 1 0 350.528 2.981 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850398225 749359666 /nfs/dbraw/zinc/35/96/66/749359666.db2.gz SINKSPYXWREFBT-UHFFFAOYSA-N 1 0 355.500 2.755 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@H](C)C1 ZINC000850505922 749377509 /nfs/dbraw/zinc/37/75/09/749377509.db2.gz DCNFWADGEPPDOI-GPMSIDNRSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H](C)C1 ZINC000850505923 749377640 /nfs/dbraw/zinc/37/76/40/749377640.db2.gz DCNFWADGEPPDOI-JTDSTZFVSA-N 1 0 350.528 2.836 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccncc1 ZINC000850507081 749377887 /nfs/dbraw/zinc/37/78/87/749377887.db2.gz MDAHXUWMUAZXQA-LJQANCHMSA-N 1 0 359.495 2.557 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000850555122 749387061 /nfs/dbraw/zinc/38/70/61/749387061.db2.gz HCRXJOSNMRHLMD-JTQLQIEISA-N 1 0 362.289 2.773 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000852698990 749928296 /nfs/dbraw/zinc/92/82/96/749928296.db2.gz WEPDTGAIRJTQGE-ZDUSSCGKSA-N 1 0 352.862 2.985 20 10 FFCDRO COCCN(CC[NH2+][C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000386182310 845831206 /nfs/dbraw/zinc/83/12/06/845831206.db2.gz IYWMLGKBNYHBFH-HNNXBMFYSA-N 1 0 350.459 2.853 20 10 FFCDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000895947914 971095949 /nfs/dbraw/zinc/09/59/49/971095949.db2.gz KKYRGVUYHGQQML-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)N1CCn1ccnc1 ZINC001275838014 1013061568 /nfs/dbraw/zinc/06/15/68/1013061568.db2.gz RNUGOYDTLZSWJJ-IAGOWNOFSA-N 1 0 374.872 2.508 20 10 FFCDRO COCCCN1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001275838404 1013062762 /nfs/dbraw/zinc/06/27/62/1013062762.db2.gz XBAWIKPUWBDPOC-UHFFFAOYSA-N 1 0 366.889 2.897 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001275837173 1013065387 /nfs/dbraw/zinc/06/53/87/1013065387.db2.gz LVDNHHMXLHVSGR-UHFFFAOYSA-N 1 0 366.889 2.897 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(O)c1OC ZINC000896216833 971352700 /nfs/dbraw/zinc/35/27/00/971352700.db2.gz GQNSUQVCSUZKFM-UTKZUKDTSA-N 1 0 355.434 2.809 20 10 FFCDRO COc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(O)c1OC ZINC000893343869 971695713 /nfs/dbraw/zinc/69/57/13/971695713.db2.gz QCMNMRRPTFDXQR-UHFFFAOYSA-N 1 0 364.486 2.534 20 10 FFCDRO C[C@H]([NH2+]C1(CNC(=O)c2cccc(O)c2O)CCOCC1)c1ccccc1 ZINC000193068945 971762451 /nfs/dbraw/zinc/76/24/51/971762451.db2.gz MCZCCKHBIVEZGT-HNNXBMFYSA-N 1 0 370.449 2.728 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896857542 971900441 /nfs/dbraw/zinc/90/04/41/971900441.db2.gz PYAYMUSWHNSNNG-LMNJBCLMSA-N 1 0 355.434 2.865 20 10 FFCDRO O=C1CO[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3O)C2)CN1C1CCCC1 ZINC001275892662 1013147383 /nfs/dbraw/zinc/14/73/83/1013147383.db2.gz HZFQINDQSWCCRS-IBGZPJMESA-N 1 0 364.873 2.792 20 10 FFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001275895754 1013154678 /nfs/dbraw/zinc/15/46/78/1013154678.db2.gz NUDYSTXVCACZRU-HZPDHXFCSA-N 1 0 352.862 2.647 20 10 FFCDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000255091375 961235861 /nfs/dbraw/zinc/23/58/61/961235861.db2.gz UYDWEIXSSRXNLI-DZFYGRHCSA-N 1 0 361.442 2.949 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1Cn1cccn1 ZINC000873010995 1013346525 /nfs/dbraw/zinc/34/65/25/1013346525.db2.gz SCTQIAYIXXPRHX-LJQANCHMSA-N 1 0 363.465 2.686 20 10 FFCDRO COc1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1Cn1cccn1 ZINC000873016150 1013350161 /nfs/dbraw/zinc/35/01/61/1013350161.db2.gz HFMCNDMWNVBNGM-UHFFFAOYSA-N 1 0 354.498 2.904 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000891244277 962546588 /nfs/dbraw/zinc/54/65/88/962546588.db2.gz ZDSWCAPYUKKSKE-PKOBYXMFSA-N 1 0 359.514 2.821 20 10 FFCDRO C[C@@H]1CCn2ncc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2C1 ZINC000891245391 962558151 /nfs/dbraw/zinc/55/81/51/962558151.db2.gz DFTWKRKKTAJONV-FOIQADDNSA-N 1 0 369.513 2.564 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)c2cccnc2)[NH+](C)C)cc1 ZINC000891246337 962567290 /nfs/dbraw/zinc/56/72/90/962567290.db2.gz AWFTYPLSEQZLEL-IBGZPJMESA-N 1 0 354.498 2.844 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccn(C(C)(C)C)n2)[NH+](C)C)cc1 ZINC000891247703 962572818 /nfs/dbraw/zinc/57/28/18/962572818.db2.gz UIHCDEFJKGPBII-GOSISDBHSA-N 1 0 357.502 2.737 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc(F)c2)cc1Cn1cccn1 ZINC000873024422 1013354300 /nfs/dbraw/zinc/35/43/00/1013354300.db2.gz QTGAJFUHOUYOOY-LJQANCHMSA-N 1 0 355.413 2.902 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCC(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000891249887 962589635 /nfs/dbraw/zinc/58/96/35/962589635.db2.gz XNJHHRAXGHMBMZ-LJQANCHMSA-N 1 0 368.481 2.530 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279107826 962949842 /nfs/dbraw/zinc/94/98/42/962949842.db2.gz RWFHEKIXLGBKQB-UHFFFAOYSA-N 1 0 362.424 2.882 20 10 FFCDRO O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001276064547 1013387310 /nfs/dbraw/zinc/38/73/10/1013387310.db2.gz SWWHZMAMHSSVNE-IBGZPJMESA-N 1 0 359.401 2.677 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc([N+](=O)[O-])c4nccn4c3)cc2)CC1 ZINC001167434663 963182302 /nfs/dbraw/zinc/18/23/02/963182302.db2.gz QTWNWHVZSKWKLC-UHFFFAOYSA-N 1 0 366.425 2.606 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3CNC(=O)N4)cc2)CC1 ZINC001167437642 963282739 /nfs/dbraw/zinc/28/27/39/963282739.db2.gz WWTSHDNALHMJLG-UHFFFAOYSA-N 1 0 351.454 2.686 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001276077873 1013409565 /nfs/dbraw/zinc/40/95/65/1013409565.db2.gz WIEIPFRIUXPXKP-GFCCVEGCSA-N 1 0 353.260 2.503 20 10 FFCDRO O=C1N(CC2CCOCC2)CC[C@@]12CCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276086729 1013428220 /nfs/dbraw/zinc/42/82/20/1013428220.db2.gz SYRBTBZELJBOCC-FQEVSTJZSA-N 1 0 362.445 2.525 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000891392602 963816330 /nfs/dbraw/zinc/81/63/30/963816330.db2.gz XJIWLHBYMIIYCI-GOEBONIOSA-N 1 0 372.435 2.811 20 10 FFCDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894298090 964323662 /nfs/dbraw/zinc/32/36/62/964323662.db2.gz GFDBVUXRZWSRIW-RHSMWYFYSA-N 1 0 373.449 2.919 20 10 FFCDRO Cc1cnccc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894319311 964698995 /nfs/dbraw/zinc/69/89/95/964698995.db2.gz QSNOPIKFAOUVCV-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000894365624 965029549 /nfs/dbraw/zinc/02/95/49/965029549.db2.gz DZXXQONSWOHJAQ-QGZVFWFLSA-N 1 0 354.450 2.848 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(O)c1OC ZINC000894688408 965606918 /nfs/dbraw/zinc/60/69/18/965606918.db2.gz SDFLABWYWPSTIT-OXQOHEQNSA-N 1 0 361.413 2.709 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1OC ZINC000892246453 966377443 /nfs/dbraw/zinc/37/74/43/966377443.db2.gz UJASHSYQPHQMKR-CQSZACIVSA-N 1 0 358.442 2.785 20 10 FFCDRO COC(=O)c1c(C[NH2+]Cc2ccc(CO)cc2)c2cc(F)ccc2n1C ZINC000895075822 967413355 /nfs/dbraw/zinc/41/33/55/967413355.db2.gz MXHLBLHFQMBJAW-UHFFFAOYSA-N 1 0 356.397 2.886 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC000983927934 967490663 /nfs/dbraw/zinc/49/06/63/967490663.db2.gz SGKLABNUHUAXPC-BRSBDYLESA-N 1 0 368.481 2.515 20 10 FFCDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)N(C)C)c1 ZINC000892419975 968466693 /nfs/dbraw/zinc/46/66/93/968466693.db2.gz KVCOWKRLHMUTAA-QGZVFWFLSA-N 1 0 360.454 2.811 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c(O)c1OC ZINC000892527158 969368848 /nfs/dbraw/zinc/36/88/48/969368848.db2.gz KSRBQOMNAJZDBR-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO COc1cc(OC)c(C[NH2+]Cc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000892614116 969598845 /nfs/dbraw/zinc/59/88/45/969598845.db2.gz FGPDHLQNGLGQSV-UHFFFAOYSA-N 1 0 363.410 2.725 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)CC2)cc1 ZINC000892675123 969791574 /nfs/dbraw/zinc/79/15/74/969791574.db2.gz VEMNMJOLYBZSBI-UXHICEINSA-N 1 0 372.513 2.542 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311689594 970119454 /nfs/dbraw/zinc/11/94/54/970119454.db2.gz OMKIKRBQIOGANY-LPHOPBHVSA-N 1 0 356.466 2.952 20 10 FFCDRO COc1cc(C)cc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000895391490 970558698 /nfs/dbraw/zinc/55/86/98/970558698.db2.gz ALRTYPMVERRKIZ-UHFFFAOYSA-N 1 0 357.454 2.613 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1F ZINC000237266267 970588429 /nfs/dbraw/zinc/58/84/29/970588429.db2.gz PWTRCTDHAJBTAC-CVEARBPZSA-N 1 0 363.477 2.509 20 10 FFCDRO COc1cc(C)cc(CN(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1O ZINC000895413414 970597068 /nfs/dbraw/zinc/59/70/68/970597068.db2.gz CCSOQOGMFSYNQN-UHFFFAOYSA-N 1 0 372.421 2.551 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1 ZINC000895505894 970676188 /nfs/dbraw/zinc/67/61/88/970676188.db2.gz XLKSHGKSUUIOQD-QGZVFWFLSA-N 1 0 354.406 2.619 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@](C)(C[NH3+])C2)CCCC1 ZINC000653137930 1014235722 /nfs/dbraw/zinc/23/57/22/1014235722.db2.gz ZHIABUYBMIXAAS-OAQYLSRUSA-N 1 0 355.482 2.726 20 10 FFCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C(C)C)c(C)cc3O)C2)nn1 ZINC000760543140 975466957 /nfs/dbraw/zinc/46/69/57/975466957.db2.gz YPDWAPGAQXPKLL-HNNXBMFYSA-N 1 0 358.442 2.649 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccnc(Cl)c3)cc2)CC1 ZINC000893606998 975900915 /nfs/dbraw/zinc/90/09/15/975900915.db2.gz CSFMSVVGEOZFKV-DAXSKMNVSA-N 1 0 370.884 2.816 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001207570781 975952896 /nfs/dbraw/zinc/95/28/96/975952896.db2.gz ULSFWSZQZOWLHJ-OAHLLOKOSA-N 1 0 354.219 2.987 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccccc2-n2cncn2)N(C)C)cc1 ZINC000898450981 976461779 /nfs/dbraw/zinc/46/17/79/976461779.db2.gz GGNXATKUHVBORQ-OAQYLSRUSA-N 1 0 364.497 2.726 20 10 FFCDRO C[C@H](Cc1ccccn1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899097455 976904715 /nfs/dbraw/zinc/90/47/15/976904715.db2.gz AMQBWVIZEDKYBB-UZLBHIALSA-N 1 0 369.513 2.681 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C[C@@H]2CCOC2)C2CC2)[NH+](C)C)cc1 ZINC000899101329 976910919 /nfs/dbraw/zinc/91/09/19/976910919.db2.gz IXNWKPATEXPVAH-OXJNMPFZSA-N 1 0 374.529 2.566 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)cc1F ZINC000178867822 978255667 /nfs/dbraw/zinc/25/56/67/978255667.db2.gz JLIPFAAKJVUVNG-HNNXBMFYSA-N 1 0 363.477 2.509 20 10 FFCDRO Cc1cc(C(=O)NCCN2CCOC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000729385045 978269442 /nfs/dbraw/zinc/26/94/42/978269442.db2.gz LSRYSBBODNUFKF-QGZVFWFLSA-N 1 0 355.482 2.853 20 10 FFCDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877144091 1014489080 /nfs/dbraw/zinc/48/90/80/1014489080.db2.gz GRIXRWNTBFVNNV-UHFFFAOYSA-N 1 0 367.493 2.993 20 10 FFCDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000871882925 979983143 /nfs/dbraw/zinc/98/31/43/979983143.db2.gz XDOVMXOTQBDSNT-FQEVSTJZSA-N 1 0 353.466 2.662 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000877538436 1014618426 /nfs/dbraw/zinc/61/84/26/1014618426.db2.gz COWOKCKDQXYWKO-DHIUTWEWSA-N 1 0 366.505 2.904 20 10 FFCDRO CCOC(=O)CN(Cc1ccc2nccnc2c1)Cc1ccccc1O ZINC000877599077 1014639696 /nfs/dbraw/zinc/63/96/96/1014639696.db2.gz PFJJCOORRVCEPZ-UHFFFAOYSA-N 1 0 351.406 2.901 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c1O ZINC000877676751 1014671855 /nfs/dbraw/zinc/67/18/55/1014671855.db2.gz DYVUIJGZHWOTOU-UHFFFAOYSA-N 1 0 364.486 2.894 20 10 FFCDRO Cc1ccc(C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000877677820 1014673990 /nfs/dbraw/zinc/67/39/90/1014673990.db2.gz PSGFKVFUCRXNMI-UHFFFAOYSA-N 1 0 364.486 2.894 20 10 FFCDRO CC(C)[C@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000729607238 980717808 /nfs/dbraw/zinc/71/78/08/980717808.db2.gz WWMIPOGCRCTKAM-FQEVSTJZSA-N 1 0 358.530 2.989 20 10 FFCDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000841739651 981315776 /nfs/dbraw/zinc/31/57/76/981315776.db2.gz AIBFOYYKXKVSHH-UZLBHIALSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCOCC4)CO3)CC2)cc1 ZINC000877912364 1014763643 /nfs/dbraw/zinc/76/36/43/1014763643.db2.gz SBAHQNRUKQWQLO-FQEVSTJZSA-N 1 0 360.498 2.793 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000877985378 1014798412 /nfs/dbraw/zinc/79/84/12/1014798412.db2.gz XUBKLAPXGMGMID-IFMALSPDSA-N 1 0 370.493 2.692 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000897986260 982584467 /nfs/dbraw/zinc/58/44/67/982584467.db2.gz AHIMPDKEVBVAPR-YXMMZVCTSA-N 1 0 354.454 2.874 20 10 FFCDRO O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)nc[nH]1 ZINC000898159154 982630585 /nfs/dbraw/zinc/63/05/85/982630585.db2.gz PGOQZWVWNWPRMA-KRWDZBQOSA-N 1 0 353.470 2.541 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000826030652 1014915374 /nfs/dbraw/zinc/91/53/74/1014915374.db2.gz KBIWUOXHKHALGH-MRXNPFEDSA-N 1 0 353.466 2.815 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)C[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000878357378 1015002273 /nfs/dbraw/zinc/00/22/73/1015002273.db2.gz BGGQDLWFCNQMOR-MTNREXPMSA-N 1 0 370.493 2.658 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000186076012 984089433 /nfs/dbraw/zinc/08/94/33/984089433.db2.gz CXCKZXAFJCUUGK-JKSUJKDBSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)cc1 ZINC000054771875 984300706 /nfs/dbraw/zinc/30/07/06/984300706.db2.gz ZAGFLGRRFHKWRG-IBGZPJMESA-N 1 0 374.456 2.534 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCCC1 ZINC000156359275 984326085 /nfs/dbraw/zinc/32/60/85/984326085.db2.gz XKBHXGMTINAQNJ-UHFFFAOYSA-N 1 0 356.514 2.914 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000164293602 984347413 /nfs/dbraw/zinc/34/74/13/984347413.db2.gz SWTDRXYUAMFHMD-KRWDZBQOSA-N 1 0 359.514 2.574 20 10 FFCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N1CCOCC1 ZINC000165014462 984427427 /nfs/dbraw/zinc/42/74/27/984427427.db2.gz PEIXPCILHHQGMA-XLIONFOSSA-N 1 0 359.514 2.965 20 10 FFCDRO [NH3+][C@@H](CCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000165183639 984438458 /nfs/dbraw/zinc/43/84/58/984438458.db2.gz ZBTADUPEGLZENW-FQEVSTJZSA-N 1 0 353.466 2.620 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000764685631 984636697 /nfs/dbraw/zinc/63/66/97/984636697.db2.gz XDEQWGZPLQWWDQ-MOPGFXCFSA-N 1 0 361.530 2.612 20 10 FFCDRO CN(C)c1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1F ZINC000058975400 984700565 /nfs/dbraw/zinc/70/05/65/984700565.db2.gz XBYBCJQYAWJCSG-UHFFFAOYSA-N 1 0 359.445 2.762 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000764843274 984740415 /nfs/dbraw/zinc/74/04/15/984740415.db2.gz BGGYSWQHABVNQH-NHCUHLMSSA-N 1 0 362.514 2.665 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2C)cc1 ZINC000158254706 984817084 /nfs/dbraw/zinc/81/70/84/984817084.db2.gz AEYMOUXQJNOHBS-OAQYLSRUSA-N 1 0 353.466 2.928 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2F)C[C@@H](C)O1 ZINC000921553348 985299044 /nfs/dbraw/zinc/29/90/44/985299044.db2.gz SZOUAELUKOIGNY-HUUCEWRRSA-N 1 0 364.440 2.895 20 10 FFCDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000186325551 985943537 /nfs/dbraw/zinc/94/35/37/985943537.db2.gz HEVQQYIZZCXJGV-VQTJNVASSA-N 1 0 361.530 2.894 20 10 FFCDRO COC(=O)c1oc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000073651416 986917985 /nfs/dbraw/zinc/91/79/85/986917985.db2.gz HLHPAXVIOQJVKK-UHFFFAOYSA-N 1 0 358.438 2.843 20 10 FFCDRO CCN(C(=O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000922473964 988627000 /nfs/dbraw/zinc/62/70/00/988627000.db2.gz HGSMCMMKCNKQFB-UHFFFAOYSA-N 1 0 367.493 2.790 20 10 FFCDRO C[NH+](C)CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000922632858 988770977 /nfs/dbraw/zinc/77/09/77/988770977.db2.gz MSORETFDEPGDPI-JOCHJYFZSA-N 1 0 368.525 2.825 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)n1-c1ccccn1 ZINC000073744333 988871012 /nfs/dbraw/zinc/87/10/12/988871012.db2.gz RATCAVRVMUAJTB-GOSISDBHSA-N 1 0 370.497 2.576 20 10 FFCDRO C[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000121320579 989452724 /nfs/dbraw/zinc/45/27/24/989452724.db2.gz UESURZCSLNYTAR-UHFFFAOYSA-N 1 0 363.465 2.736 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CN(C)Cc3cccc(C)c3)CC2)cc1 ZINC000917073654 990120525 /nfs/dbraw/zinc/12/05/25/990120525.db2.gz JUPKIYXORJYWIF-UHFFFAOYSA-N 1 0 367.493 2.784 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nnc(C(C)(C)C)s3)cc2)CC1 ZINC000918852489 990512389 /nfs/dbraw/zinc/51/23/89/990512389.db2.gz PFKJNRYHKRIIBW-UHFFFAOYSA-N 1 0 373.526 2.517 20 10 FFCDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000706408399 990568299 /nfs/dbraw/zinc/56/82/99/990568299.db2.gz XKLWLXIVVNPAMW-MRXNPFEDSA-N 1 0 363.502 2.868 20 10 FFCDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000920277816 990826305 /nfs/dbraw/zinc/82/63/05/990826305.db2.gz KETYOBDMBJWUFQ-QKLQHJQFSA-N 1 0 374.529 2.536 20 10 FFCDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000920745688 990909612 /nfs/dbraw/zinc/90/96/12/990909612.db2.gz ZUYOZSQDHRSHNI-UHFFFAOYSA-N 1 0 355.482 2.888 20 10 FFCDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000921052590 990963007 /nfs/dbraw/zinc/96/30/07/990963007.db2.gz FPCBHHGGNPGICA-NVXWUHKLSA-N 1 0 356.466 2.909 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000921119916 990979621 /nfs/dbraw/zinc/97/96/21/990979621.db2.gz DSXKTKJGZIDJID-SJLPKXTDSA-N 1 0 363.502 2.813 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1O ZINC000879648507 1015625894 /nfs/dbraw/zinc/62/58/94/1015625894.db2.gz RMXAFKNKJKXQTP-CQSZACIVSA-N 1 0 367.449 2.964 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cc(F)ccc3O)CC2)cc1 ZINC000180406359 991487252 /nfs/dbraw/zinc/48/72/52/991487252.db2.gz AVQOGDAXRYEZEG-UHFFFAOYSA-N 1 0 373.472 2.842 20 10 FFCDRO Cc1cccc(CN2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000180599187 991521447 /nfs/dbraw/zinc/52/14/47/991521447.db2.gz LWXDRVHGBGGLMR-SOFGYWHQSA-N 1 0 352.434 2.764 20 10 FFCDRO Cc1cc(CN2CC[NH2+]C[C@H]2C(F)(F)F)c(O)cc1Br ZINC001236980463 991984111 /nfs/dbraw/zinc/98/41/11/991984111.db2.gz IXCAADPDIAFPEB-LBPRGKRZSA-N 1 0 353.182 2.799 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCCOc2cccc(C)c2)c1 ZINC000182448294 992053727 /nfs/dbraw/zinc/05/37/27/992053727.db2.gz KFIMDGNUXHAQMO-MRXNPFEDSA-N 1 0 372.465 2.945 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCNC(=O)CC34CCC4)cc2)CC1 ZINC000880168078 1015770457 /nfs/dbraw/zinc/77/04/57/1015770457.db2.gz ZNDSENJGMDHKLI-UHFFFAOYSA-N 1 0 357.498 2.546 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCOc4cc(O)ccc4C3)cc2)CC1 ZINC000809704823 994587538 /nfs/dbraw/zinc/58/75/38/994587538.db2.gz IAOBZVCMKFAVHY-UHFFFAOYSA-N 1 0 353.466 2.539 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1O ZINC000809748339 994602579 /nfs/dbraw/zinc/60/25/79/994602579.db2.gz ORGZZTUBPMJSPW-MRXNPFEDSA-N 1 0 362.445 2.547 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCCSC1 ZINC000810659097 994881962 /nfs/dbraw/zinc/88/19/62/994881962.db2.gz MYTUGIKIALLSDM-IBGZPJMESA-N 1 0 373.566 2.978 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)N(C)OC)CC3)c2c1 ZINC000812292678 995406368 /nfs/dbraw/zinc/40/63/68/995406368.db2.gz MXOXTNRUHWDYCR-UHFFFAOYSA-N 1 0 358.438 2.786 20 10 FFCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000128729508 1016061663 /nfs/dbraw/zinc/06/16/63/1016061663.db2.gz SKXVQZTUEVKYJF-OAQYLSRUSA-N 1 0 356.466 2.745 20 10 FFCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824563768 996990687 /nfs/dbraw/zinc/99/06/87/996990687.db2.gz CCPHKLURVBCWHS-HXUWFJFHSA-N 1 0 370.493 2.908 20 10 FFCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824681732 997050396 /nfs/dbraw/zinc/05/03/96/997050396.db2.gz OLCXQIYDRJLXKO-ZWKOTPCHSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC000824682208 997051229 /nfs/dbraw/zinc/05/12/29/997051229.db2.gz XADUIJIPLSENOQ-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000824693781 997058636 /nfs/dbraw/zinc/05/86/36/997058636.db2.gz NFBMDEOQAAUHJU-GOSISDBHSA-N 1 0 374.529 2.505 20 10 FFCDRO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O)c(C(C)(C)C)c1 ZINC000824709597 997065041 /nfs/dbraw/zinc/06/50/41/997065041.db2.gz MMYAXVXVGAFDFJ-RTBURBONSA-N 1 0 362.514 2.729 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1C ZINC000731206930 997746104 /nfs/dbraw/zinc/74/61/04/997746104.db2.gz ICAAZPCGPGWCPG-UZLBHIALSA-N 1 0 373.541 2.822 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)CN(C)C(N)=[NH2+])cc2)cc1 ZINC001144140947 998051306 /nfs/dbraw/zinc/05/13/06/998051306.db2.gz PXJRJDZZKKHCDK-SNAWJCMRSA-N 1 0 351.454 2.687 20 10 FFCDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccccc1O ZINC000731872393 998314407 /nfs/dbraw/zinc/31/44/07/998314407.db2.gz HXYFFJJHQIWGJK-UHFFFAOYSA-N 1 0 353.466 2.611 20 10 FFCDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504114 998611977 /nfs/dbraw/zinc/61/19/77/998611977.db2.gz MEBKDEGSKZICFQ-CHWSQXEVSA-N 1 0 366.458 2.929 20 10 FFCDRO O=C1CC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c2ccccc2N1 ZINC001144508505 998615180 /nfs/dbraw/zinc/61/51/80/998615180.db2.gz PBQDICZKMIPORO-UHFFFAOYSA-N 1 0 354.406 2.679 20 10 FFCDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509203 998622061 /nfs/dbraw/zinc/62/20/61/998622061.db2.gz OVLMATZDGYTOQC-UHFFFAOYSA-N 1 0 352.431 2.635 20 10 FFCDRO COC(=O)c1ccc(C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144514525 998626070 /nfs/dbraw/zinc/62/60/70/998626070.db2.gz JFNZVHIVBGMNHS-UHFFFAOYSA-N 1 0 357.406 2.970 20 10 FFCDRO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514520 998626440 /nfs/dbraw/zinc/62/64/40/998626440.db2.gz IYJBNPSSUMHHSL-KRWDZBQOSA-N 1 0 370.449 2.645 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144515823 998627244 /nfs/dbraw/zinc/62/72/44/998627244.db2.gz GKFDXHDZIZPFGM-NJZAAPMLSA-N 1 0 364.442 2.539 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[NH+](Cc2c(O)cc(O)cc2O)CCC1 ZINC001144516096 998627276 /nfs/dbraw/zinc/62/72/76/998627276.db2.gz PFKLIMBTCLCULT-UHFFFAOYSA-N 1 0 352.431 2.636 20 10 FFCDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516373 998628821 /nfs/dbraw/zinc/62/88/21/998628821.db2.gz WQOFWMGLLVIMFQ-FZMZJTMJSA-N 1 0 352.431 2.681 20 10 FFCDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1 ZINC000733334362 998966172 /nfs/dbraw/zinc/96/61/72/998966172.db2.gz IITJYYDXGBNIKW-GOSISDBHSA-N 1 0 373.884 2.899 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000734281517 999254993 /nfs/dbraw/zinc/25/49/93/999254993.db2.gz ABIDSBGMTCLQLN-HXUWFJFHSA-N 1 0 374.529 2.537 20 10 FFCDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000734285642 999256013 /nfs/dbraw/zinc/25/60/13/999256013.db2.gz QSRIWWJCTSSOPQ-INIZCTEOSA-N 1 0 355.438 2.934 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3cc(C)nc(C4CC4)n3)CC2)cc1 ZINC000734835430 999345765 /nfs/dbraw/zinc/34/57/65/999345765.db2.gz WUANEEHJCKOELP-UHFFFAOYSA-N 1 0 367.497 2.905 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000740006329 999657057 /nfs/dbraw/zinc/65/70/57/999657057.db2.gz KFQHOXFIDPKBSU-UNMCSNQZSA-N 1 0 353.510 2.725 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000743852856 999833600 /nfs/dbraw/zinc/83/36/00/999833600.db2.gz VIJIOJQIMVXKCE-FXAWDEMLSA-N 1 0 357.498 2.608 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3N3CCOCC3)CC2)cc1 ZINC000766605692 1000025324 /nfs/dbraw/zinc/02/53/24/1000025324.db2.gz MNBAQUAIAMHBQU-FCHUYYIVSA-N 1 0 373.541 2.897 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)CC1 ZINC000767371233 1000111785 /nfs/dbraw/zinc/11/17/85/1000111785.db2.gz MGTHCOVLZVPDPP-CTNGQTDRSA-N 1 0 370.518 2.815 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)nn1 ZINC000767796296 1000146157 /nfs/dbraw/zinc/14/61/57/1000146157.db2.gz ROKZEHGMXIGUGZ-INIZCTEOSA-N 1 0 374.872 2.847 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000846146596 1000218305 /nfs/dbraw/zinc/21/83/05/1000218305.db2.gz RLEWGHDWWWQUFD-HQRMLTQVSA-N 1 0 370.493 2.934 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000846147794 1000219224 /nfs/dbraw/zinc/21/92/24/1000219224.db2.gz WJHLLDAJUJIADJ-JXFKEZNVSA-N 1 0 362.493 2.942 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)[C@H](O)CO2 ZINC000768437604 1000247321 /nfs/dbraw/zinc/24/73/21/1000247321.db2.gz ASWWMGHFJCEFBU-LJQANCHMSA-N 1 0 374.868 2.789 20 10 FFCDRO CCc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000768465761 1000262648 /nfs/dbraw/zinc/26/26/48/1000262648.db2.gz KRPBHSOLSSSMGE-FQEVSTJZSA-N 1 0 354.450 2.703 20 10 FFCDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463354 1000263809 /nfs/dbraw/zinc/26/38/09/1000263809.db2.gz HKYTZRSZSQTZNR-CXAGYDPISA-N 1 0 363.454 2.762 20 10 FFCDRO C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000846593396 1000381386 /nfs/dbraw/zinc/38/13/86/1000381386.db2.gz OEAACAUXASUFDT-DJGBTNNQSA-N 1 0 352.434 2.892 20 10 FFCDRO Cc1[nH]c2ccccc2c1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663702 1000403992 /nfs/dbraw/zinc/40/39/92/1000403992.db2.gz MEMWXPMTOUSKDG-IBGZPJMESA-N 1 0 350.466 2.901 20 10 FFCDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769147930 1000447058 /nfs/dbraw/zinc/44/70/58/1000447058.db2.gz IGTYSFVYYJNFSJ-MRXNPFEDSA-N 1 0 360.458 2.815 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000847038195 1000529293 /nfs/dbraw/zinc/52/92/93/1000529293.db2.gz RTUHWATZFJRSSI-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(NC(N)=O)cc3)c2)CC1 ZINC000770286609 1000729838 /nfs/dbraw/zinc/72/98/38/1000729838.db2.gz PEPZLNCXQMZDJB-UHFFFAOYSA-N 1 0 367.453 2.571 20 10 FFCDRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001148143562 1001042176 /nfs/dbraw/zinc/04/21/76/1001042176.db2.gz ZAKMYFURVCUGEQ-GOSISDBHSA-N 1 0 354.450 2.936 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2F)CC1 ZINC001148219411 1001070915 /nfs/dbraw/zinc/07/09/15/1001070915.db2.gz YJQJZIUCMMHEKS-UHFFFAOYSA-N 1 0 359.401 2.631 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 ZINC001182833413 1002066912 /nfs/dbraw/zinc/06/69/12/1002066912.db2.gz AXKFXWGLIBJLHE-UHFFFAOYSA-N 1 0 350.459 2.587 20 10 FFCDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000790515117 1002402725 /nfs/dbraw/zinc/40/27/25/1002402725.db2.gz YVZSRGPOSOLDJV-LJQANCHMSA-N 1 0 356.514 2.982 20 10 FFCDRO COC(=O)c1oc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001184218310 1002529240 /nfs/dbraw/zinc/52/92/40/1002529240.db2.gz MBLPHNSGJPCGFJ-GOSISDBHSA-N 1 0 359.470 2.833 20 10 FFCDRO CC(C)CCC[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001276258387 1016634737 /nfs/dbraw/zinc/63/47/37/1016634737.db2.gz AENWOZZEMSTADA-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1F ZINC000746976060 1002574988 /nfs/dbraw/zinc/57/49/88/1002574988.db2.gz TXBYYKSYVCSDCT-GOSISDBHSA-N 1 0 372.488 2.864 20 10 FFCDRO COc1ccccc1OCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774840321 1002855076 /nfs/dbraw/zinc/85/50/76/1002855076.db2.gz KKIGMZIWRHBJCL-UHFFFAOYSA-N 1 0 362.382 2.828 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1OC ZINC000792192102 1002939493 /nfs/dbraw/zinc/93/94/93/1002939493.db2.gz BYUOMCYNIKWYDV-CYBMUJFWSA-N 1 0 367.392 2.628 20 10 FFCDRO Cc1cc(CN2CCC(F)(F)[C@H](CO)C2)c(O)cc1Br ZINC001250120955 1041121822 /nfs/dbraw/zinc/12/18/22/1041121822.db2.gz WDWWDIFFYCLABD-NSHDSACASA-N 1 0 350.203 2.913 20 10 FFCDRO CC(C)(C(N)=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203645319 1003409717 /nfs/dbraw/zinc/40/97/17/1003409717.db2.gz ADOJPAFDABHDDY-UHFFFAOYSA-N 1 0 355.276 2.878 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000775678154 1003633233 /nfs/dbraw/zinc/63/32/33/1003633233.db2.gz MUTBCTWKIZYWHQ-FUHIMQAGSA-N 1 0 359.514 2.758 20 10 FFCDRO CCc1nc(C)cc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000804388075 1003633881 /nfs/dbraw/zinc/63/38/81/1003633881.db2.gz NGPCHNKJBDRURF-UHFFFAOYSA-N 1 0 355.486 2.590 20 10 FFCDRO CCO[C@H](C)c1noc(CN(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000775724728 1003839476 /nfs/dbraw/zinc/83/94/76/1003839476.db2.gz JUXIEPKUZRSPEP-MRXNPFEDSA-N 1 0 373.501 2.551 20 10 FFCDRO COc1ccc(Br)c(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205780935 1003889028 /nfs/dbraw/zinc/88/90/28/1003889028.db2.gz UCKYCMVXESCOQK-VIFPVBQESA-N 1 0 365.218 2.579 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000806183144 1004251418 /nfs/dbraw/zinc/25/14/18/1004251418.db2.gz NPBINDXPJBSSAK-AEFFLSMTSA-N 1 0 373.522 2.866 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cs2)cc1 ZINC001193175040 1004386164 /nfs/dbraw/zinc/38/61/64/1004386164.db2.gz WXXJVJABHZAWOO-FOIQADDNSA-N 1 0 370.522 2.900 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1 ZINC000775830457 1004539577 /nfs/dbraw/zinc/53/95/77/1004539577.db2.gz JHAQBUVWLOLALU-LBPRGKRZSA-N 1 0 355.398 2.685 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834372 1004569083 /nfs/dbraw/zinc/56/90/83/1004569083.db2.gz NASAAKAPHDUENA-MRXNPFEDSA-N 1 0 355.482 2.771 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2cccc(I)c2[O-])CC[C@@H]1C[NH3+] ZINC001205651462 1004637322 /nfs/dbraw/zinc/63/73/22/1004637322.db2.gz FLNPOUKSSJBKHF-NWDGAFQWSA-N 1 0 374.266 2.804 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cccc(I)c2[O-])CC[C@@H]1C[NH3+] ZINC001205651464 1004637383 /nfs/dbraw/zinc/63/73/83/1004637383.db2.gz FLNPOUKSSJBKHF-VXGBXAGGSA-N 1 0 374.266 2.804 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)cc2)CC1 ZINC000775667973 1005019838 /nfs/dbraw/zinc/01/98/38/1005019838.db2.gz PYGHBFVALVVDKY-UHFFFAOYSA-N 1 0 356.558 2.889 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)CCOc2ccc3c(c2)OCO3)cc1 ZINC001195790645 1005043453 /nfs/dbraw/zinc/04/34/53/1005043453.db2.gz UUARZCHYAKSYFG-UHFFFAOYSA-N 1 0 358.438 2.871 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000776216093 1005277284 /nfs/dbraw/zinc/27/72/84/1005277284.db2.gz MVFCARJYOZGKMZ-HRAATJIYSA-N 1 0 356.466 2.780 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3ccncc3)cc2F)CC1 ZINC000106506581 1005326634 /nfs/dbraw/zinc/32/66/34/1005326634.db2.gz GPQNXVXGJSAMJT-UHFFFAOYSA-N 1 0 357.433 2.684 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108557734 1005679889 /nfs/dbraw/zinc/67/98/89/1005679889.db2.gz LRFMSZACUSTZQQ-GOSISDBHSA-N 1 0 374.554 2.523 20 10 FFCDRO O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000850362362 1005811257 /nfs/dbraw/zinc/81/12/57/1005811257.db2.gz LYGLBSYJBPPUMG-UHFFFAOYSA-N 1 0 356.426 2.697 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c3ccccc3)C2)cc1 ZINC000850487489 1005818271 /nfs/dbraw/zinc/81/82/71/1005818271.db2.gz HDSKDAIVDLIGKX-SJORKVTESA-N 1 0 374.506 2.726 20 10 FFCDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850568295 1005823021 /nfs/dbraw/zinc/82/30/21/1005823021.db2.gz UYHSKPXXGYZGHS-INIZCTEOSA-N 1 0 355.482 2.772 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000850759194 1005836899 /nfs/dbraw/zinc/83/68/99/1005836899.db2.gz NKHXUSCLHIYDMB-ORAYPTAESA-N 1 0 371.437 2.944 20 10 FFCDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000851630398 1005901434 /nfs/dbraw/zinc/90/14/34/1005901434.db2.gz LCHXLZRXFYIVQE-LJQANCHMSA-N 1 0 369.440 2.513 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851656219 1005903474 /nfs/dbraw/zinc/90/34/74/1005903474.db2.gz GMDVXFSKNIAFDD-HXUWFJFHSA-N 1 0 368.525 2.984 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCc3ccc([C@@H](C)[NH3+])cc3)C2)cc1 ZINC000851662652 1005904501 /nfs/dbraw/zinc/90/45/01/1005904501.db2.gz GLZLJNITQPNTNT-QAPCUYQASA-N 1 0 368.481 2.793 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000852017516 1005933851 /nfs/dbraw/zinc/93/38/51/1005933851.db2.gz AOYCIIBPXVQFOV-QGZVFWFLSA-N 1 0 362.470 2.548 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000852185411 1005948443 /nfs/dbraw/zinc/94/84/43/1005948443.db2.gz XTRYZPKYCHCAKN-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1cc(C(=O)Cn2cc([C@H]([NH3+])C(C)C)nn2)c(C)n1-c1ccc(F)cn1 ZINC000881356813 1006060132 /nfs/dbraw/zinc/06/01/32/1006060132.db2.gz LCOUTHNVGQJGIE-LJQANCHMSA-N 1 0 370.432 2.758 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852597404 1006096929 /nfs/dbraw/zinc/09/69/29/1006096929.db2.gz RHISJWCTSRVCKI-ICSRJNTNSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852664038 1006130662 /nfs/dbraw/zinc/13/06/62/1006130662.db2.gz BEEFOCVCFSCTMP-HZPDHXFCSA-N 1 0 357.429 2.779 20 10 FFCDRO CC1(C)CC[NH2+][C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000852869797 1006214065 /nfs/dbraw/zinc/21/40/65/1006214065.db2.gz LTMHDADWXGRRAZ-CJNGLKHVSA-N 1 0 367.440 2.761 20 10 FFCDRO O[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000853101089 1006296718 /nfs/dbraw/zinc/29/67/18/1006296718.db2.gz UCAYYDKCHCKRRQ-KBXCAEBGSA-N 1 0 363.408 2.975 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)nc1 ZINC000129625626 1006373092 /nfs/dbraw/zinc/37/30/92/1006373092.db2.gz ZRHXQYKRTUZFLV-UHFFFAOYSA-N 1 0 355.438 2.595 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000853521224 1006427152 /nfs/dbraw/zinc/42/71/52/1006427152.db2.gz SZJLBVPUCOSMBS-UHFFFAOYSA-N 1 0 366.417 2.702 20 10 FFCDRO Cc1cc(C[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)ccc1N(C)C ZINC000815022968 1006494323 /nfs/dbraw/zinc/49/43/23/1006494323.db2.gz FNQAYKWATQNCBG-UHFFFAOYSA-N 1 0 373.522 2.991 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C2)cc1 ZINC000854297475 1006762347 /nfs/dbraw/zinc/76/23/47/1006762347.db2.gz OSBAUYIUCHSALT-MRXNPFEDSA-N 1 0 362.518 2.694 20 10 FFCDRO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854298853 1006763915 /nfs/dbraw/zinc/76/39/15/1006763915.db2.gz IRCIPGAMNCUDBB-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000854300456 1006766227 /nfs/dbraw/zinc/76/62/27/1006766227.db2.gz SYZUWBBBIKBJEQ-QZTJIDSGSA-N 1 0 374.529 2.790 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000883371743 1006769545 /nfs/dbraw/zinc/76/95/45/1006769545.db2.gz YAZBVTSJBGMVSK-UYAOXDASSA-N 1 0 361.530 2.538 20 10 FFCDRO Cc1cnc([C@H](C)NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883498886 1006820747 /nfs/dbraw/zinc/82/07/47/1006820747.db2.gz ACPNXWJZRKIQRZ-HNNXBMFYSA-N 1 0 373.526 2.764 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3C(C)(C)C3(F)F)cc2)CC1 ZINC000883779408 1007001795 /nfs/dbraw/zinc/00/17/95/1007001795.db2.gz XCEZQZVCIAFDND-INIZCTEOSA-N 1 0 366.456 2.529 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccccc3)CC2)cc1 ZINC000032765957 1007063519 /nfs/dbraw/zinc/06/35/19/1007063519.db2.gz MEXARSXENQNAJX-UHFFFAOYSA-N 1 0 367.493 2.566 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775254852 1007095347 /nfs/dbraw/zinc/09/53/47/1007095347.db2.gz JZEDZRAEKGTDSP-HFCFLWKCSA-N 1 0 359.514 2.869 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)Cc3ccc(O)cc3)CC2)cc1 ZINC000816541597 1007105134 /nfs/dbraw/zinc/10/51/34/1007105134.db2.gz QEIOQBGYHOLXKG-GOSISDBHSA-N 1 0 369.509 2.744 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccnn4C)C3)C2)cc1 ZINC001206330264 1032232327 /nfs/dbraw/zinc/23/23/27/1032232327.db2.gz VHUBIVCGQQADDS-NRFANRHFSA-N 1 0 370.497 2.548 20 10 FFCDRO C[C@@H]1CC2(CN1C(=O)c1csc(Cc3ccc(N)cc3)n1)CC[NH2+]CC2 ZINC000818291722 1007896590 /nfs/dbraw/zinc/89/65/90/1007896590.db2.gz UJBPZUPEDDMQBA-CQSZACIVSA-N 1 0 370.522 2.920 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000818655861 1007960389 /nfs/dbraw/zinc/96/03/89/1007960389.db2.gz OGKKUXYSJWYTQK-OXJNMPFZSA-N 1 0 368.481 2.521 20 10 FFCDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000818984933 1007999900 /nfs/dbraw/zinc/99/99/00/1007999900.db2.gz JMCCUSCOTVMSTN-KRWDZBQOSA-N 1 0 360.429 2.624 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984737 1008000732 /nfs/dbraw/zinc/00/07/32/1008000732.db2.gz FQSKPBMIELGESV-HXUWFJFHSA-N 1 0 370.493 2.745 20 10 FFCDRO C[NH+](C)[C@H]1CCc2cc(N3C(=O)CN(Cc4ccccc4O)C3=O)ccc21 ZINC000819008681 1008007642 /nfs/dbraw/zinc/00/76/42/1008007642.db2.gz XXFJETOQRPLULS-SFHVURJKSA-N 1 0 365.433 2.910 20 10 FFCDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818972780 1008012872 /nfs/dbraw/zinc/01/28/72/1008012872.db2.gz JMMDELATOAFHBW-OAQYLSRUSA-N 1 0 370.493 2.670 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCCC(C)(C)C)CC2)cc1 ZINC000819093055 1008031838 /nfs/dbraw/zinc/03/18/38/1008031838.db2.gz JMGGRLNPPHIRGE-LJQANCHMSA-N 1 0 363.546 2.594 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COc3ccc(C)cc3)C2)cc1 ZINC000819381274 1008128002 /nfs/dbraw/zinc/12/80/02/1008128002.db2.gz XEYQSANBFKVKAG-UYAOXDASSA-N 1 0 370.493 2.859 20 10 FFCDRO CC(C)c1ncc2c(n1)CCN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000857878193 1008233484 /nfs/dbraw/zinc/23/34/84/1008233484.db2.gz UOEFLJWEFHSBAU-UHFFFAOYSA-N 1 0 365.525 2.910 20 10 FFCDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858141139 1008309241 /nfs/dbraw/zinc/30/92/41/1008309241.db2.gz LHVPKECFZLULQK-LJQANCHMSA-N 1 0 366.408 2.871 20 10 FFCDRO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000858236126 1008329868 /nfs/dbraw/zinc/32/98/68/1008329868.db2.gz BEKJMWHBAYJASY-IBGZPJMESA-N 1 0 370.497 2.614 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c2c1c(F)ccc2O ZINC000858565612 1008382956 /nfs/dbraw/zinc/38/29/56/1008382956.db2.gz VHKIOTDZWDBBTD-HFTRVMKXSA-N 1 0 371.456 2.965 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3oncc3C)C2)cc1C ZINC001086843996 1008445299 /nfs/dbraw/zinc/44/52/99/1008445299.db2.gz KMOYQKAVZQHEOV-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO CN(c1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1)C1CCCCC1 ZINC001136446697 1008462224 /nfs/dbraw/zinc/46/22/24/1008462224.db2.gz RUEZHYVXIDKYSS-OAQYLSRUSA-N 1 0 371.525 2.792 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCC[NH+](C)C)cc1 ZINC000859358257 1008506321 /nfs/dbraw/zinc/50/63/21/1008506321.db2.gz YVDAHGXPUQFPAK-UHFFFAOYSA-N 1 0 355.482 2.907 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000859380451 1008509019 /nfs/dbraw/zinc/50/90/19/1008509019.db2.gz ZGQAPDIWWSDSTJ-QGZVFWFLSA-N 1 0 353.466 2.930 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)C1 ZINC001177428762 1008620704 /nfs/dbraw/zinc/62/07/04/1008620704.db2.gz GXNAEIXTOGFJPC-MRXNPFEDSA-N 1 0 359.420 2.956 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000777117655 1008627255 /nfs/dbraw/zinc/62/72/55/1008627255.db2.gz XUKWFUWYQMZYFY-ZRGWGRIASA-N 1 0 355.486 2.721 20 10 FFCDRO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325094 1008637102 /nfs/dbraw/zinc/63/71/02/1008637102.db2.gz TVCGOIFVSDOLND-UHFFFAOYSA-N 1 0 369.513 2.764 20 10 FFCDRO COc1ccc(C[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1Cn1cccn1 ZINC001177599370 1008674119 /nfs/dbraw/zinc/67/41/19/1008674119.db2.gz GGBRXBXNNCZBRC-UHFFFAOYSA-N 1 0 374.485 2.897 20 10 FFCDRO Cc1cc(C(=O)CN(C)[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000859962237 1008749195 /nfs/dbraw/zinc/74/91/95/1008749195.db2.gz LUJGDDOFBQKQOC-OTVXOJSOSA-N 1 0 374.872 2.521 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CNC(C)=O)cc2)CC1 ZINC000860178998 1008876623 /nfs/dbraw/zinc/87/66/23/1008876623.db2.gz BYVUIUZBTOGVKJ-FQEVSTJZSA-N 1 0 359.514 2.792 20 10 FFCDRO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000860182718 1008879922 /nfs/dbraw/zinc/87/99/22/1008879922.db2.gz BLQLUVSMUMVQJN-LYKUJDHUSA-N 1 0 358.442 2.790 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCCOC1 ZINC000886916069 1008935031 /nfs/dbraw/zinc/93/50/31/1008935031.db2.gz NWFUUIKOVKXDEF-NQIIRXRSSA-N 1 0 362.514 2.833 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000823660338 1009162094 /nfs/dbraw/zinc/16/20/94/1009162094.db2.gz KDHQZUDGFUYVGP-NRFANRHFSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1cc(O)c(CN2CCCC[C@@](F)(C[NH3+])C2)c(Br)c1 ZINC001206371327 1009276464 /nfs/dbraw/zinc/27/64/64/1009276464.db2.gz SNUUYURPESXPPC-OAHLLOKOSA-N 1 0 361.255 2.816 20 10 FFCDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000861341407 1009351151 /nfs/dbraw/zinc/35/11/51/1009351151.db2.gz PKOICRQJMYSAOW-OXQOHEQNSA-N 1 0 357.454 2.755 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(N)cc1F ZINC001180180381 1009575425 /nfs/dbraw/zinc/57/54/25/1009575425.db2.gz YWLDHSPAWYZBDY-IBGZPJMESA-N 1 0 358.461 2.815 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1F ZINC000862239489 1009760500 /nfs/dbraw/zinc/76/05/00/1009760500.db2.gz APCFXDMENOESGR-ZDUSSCGKSA-N 1 0 361.440 2.948 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1F ZINC000862252568 1009765919 /nfs/dbraw/zinc/76/59/19/1009765919.db2.gz FDZWUFWDZMSCOY-SCLBCKFNSA-N 1 0 364.440 2.710 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1OC ZINC000862543841 1009875439 /nfs/dbraw/zinc/87/54/39/1009875439.db2.gz LZAILKJZFJTKCM-GXTWGEPZSA-N 1 0 366.458 2.897 20 10 FFCDRO CN(CCOCC[NH3+])CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000863554667 1010253408 /nfs/dbraw/zinc/25/34/08/1010253408.db2.gz DZGZIRXKPLULIG-UHFFFAOYSA-N 1 0 355.442 2.948 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000119634643 1010321532 /nfs/dbraw/zinc/32/15/32/1010321532.db2.gz MOHNZPVZFMWHFO-HXUWFJFHSA-N 1 0 353.466 2.870 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)SC)C[C@H]2C)cc1C ZINC001093644837 1010441475 /nfs/dbraw/zinc/44/14/75/1010441475.db2.gz OTHDCOFKBYNPHE-HLLBOEOZSA-N 1 0 350.528 2.939 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000865763151 1010857194 /nfs/dbraw/zinc/85/71/94/1010857194.db2.gz BUGBGMGZWQXZKW-UHFFFAOYSA-N 1 0 359.426 2.619 20 10 FFCDRO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000866494212 1011003836 /nfs/dbraw/zinc/00/38/36/1011003836.db2.gz LOOBJJHSAXZBJB-CQSZACIVSA-N 1 0 373.888 2.506 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccccc1O ZINC000868086938 1011162433 /nfs/dbraw/zinc/16/24/33/1011162433.db2.gz IXPWPPVYIJYXER-OAHLLOKOSA-N 1 0 357.454 2.893 20 10 FFCDRO CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000868762262 1011461038 /nfs/dbraw/zinc/46/10/38/1011461038.db2.gz MQDGVZYMEXGGQR-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001275105641 1011941649 /nfs/dbraw/zinc/94/16/49/1011941649.db2.gz FUFXBUFFWKACHG-OAQYLSRUSA-N 1 0 359.514 2.604 20 10 FFCDRO O=C1N(CCCn2cccc2)CC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001275231725 1012111666 /nfs/dbraw/zinc/11/16/66/1012111666.db2.gz GDDNYIBQFAHPHK-NRFANRHFSA-N 1 0 353.466 2.708 20 10 FFCDRO O=C1C[C@]2(CN1CC1CCCC1)COCC[N@@H+](Cc1ccccc1O)C2 ZINC001275232752 1012113730 /nfs/dbraw/zinc/11/37/30/1012113730.db2.gz ZWOLUOBWCNTRGI-NRFANRHFSA-N 1 0 358.482 2.633 20 10 FFCDRO O=C1C[C@@]2(CN1CC1CCCC1)COCC[N@@H+](Cc1ccccc1O)C2 ZINC001275232753 1012114120 /nfs/dbraw/zinc/11/41/20/1012114120.db2.gz ZWOLUOBWCNTRGI-OAQYLSRUSA-N 1 0 358.482 2.633 20 10 FFCDRO O=C1C[C@]2(CN1Cc1ccncc1)CCCC[N@H+]2Cc1ccccc1O ZINC001275232632 1012114951 /nfs/dbraw/zinc/11/49/51/1012114951.db2.gz VJAKIEXPCKQACG-NRFANRHFSA-N 1 0 351.450 2.944 20 10 FFCDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(O)c(O)c1 ZINC001172911584 1012123457 /nfs/dbraw/zinc/12/34/57/1012123457.db2.gz JZQIWGIQKYWJGN-OAHLLOKOSA-N 1 0 356.378 2.726 20 10 FFCDRO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001276357890 1012509370 /nfs/dbraw/zinc/50/93/70/1012509370.db2.gz TWYCSCTXAHGZQS-OAQYLSRUSA-N 1 0 359.514 2.604 20 10 FFCDRO COCCCN1CCC2(CC[NH+](Cc3ccc(N(C)C)cc3)CC2)C1=O ZINC001275597866 1012672597 /nfs/dbraw/zinc/67/25/97/1012672597.db2.gz KQZCYDYZSWJMLO-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)cc1 ZINC001275598507 1012675381 /nfs/dbraw/zinc/67/53/81/1012675381.db2.gz QDBNSMDJKWZWQE-UHFFFAOYSA-N 1 0 351.441 2.832 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275598494 1012676467 /nfs/dbraw/zinc/67/64/67/1012676467.db2.gz PSVNWJHYUIXTPJ-IIBYNOLFSA-N 1 0 357.498 2.892 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnn2c1CCC2 ZINC000827095499 1017103469 /nfs/dbraw/zinc/10/34/69/1017103469.db2.gz IAQNPAWSPVQLHD-HNNXBMFYSA-N 1 0 374.872 2.583 20 10 FFCDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924729372 1017451650 /nfs/dbraw/zinc/45/16/50/1017451650.db2.gz MTBRDSWPAVGWKC-DBXWQHBBSA-N 1 0 361.530 2.808 20 10 FFCDRO C[C@H]([NH3+])[C@H](NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000925776463 1017845811 /nfs/dbraw/zinc/84/58/11/1017845811.db2.gz HJWRGOKJFCXJSH-KKSFZXQISA-N 1 0 366.509 2.566 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000925852996 1017875117 /nfs/dbraw/zinc/87/51/17/1017875117.db2.gz XNHGHNCZFOKNBR-NEPJUHHUSA-N 1 0 372.387 2.747 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3CCCO)cc2)CC1 ZINC000926872205 1018274999 /nfs/dbraw/zinc/27/49/99/1018274999.db2.gz AXFVRYPFEXKLPP-RXVVDRJESA-N 1 0 373.541 2.809 20 10 FFCDRO CC1=NO[C@@](C)(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001137440255 1018460053 /nfs/dbraw/zinc/46/00/53/1018460053.db2.gz REMDDAQAPAUQAO-MAUKXSAKSA-N 1 0 365.861 2.681 20 10 FFCDRO CCC[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000827686274 1018610993 /nfs/dbraw/zinc/61/09/93/1018610993.db2.gz XGHOAZXFCRCYIK-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO CCC(=O)C1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000827685170 1018611738 /nfs/dbraw/zinc/61/17/38/1018611738.db2.gz JUIOXCWGDDOAOL-UHFFFAOYSA-N 1 0 369.509 2.594 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222148068 1032787711 /nfs/dbraw/zinc/78/77/11/1032787711.db2.gz IXGNANNUKMZFMX-OAQYLSRUSA-N 1 0 355.482 2.931 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@]23CCC[NH2+]C3)cc1Br ZINC001222252274 1032849967 /nfs/dbraw/zinc/84/99/67/1032849967.db2.gz BUISBUDLZOPNLV-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC000725847766 1020270088 /nfs/dbraw/zinc/27/00/88/1020270088.db2.gz HWFLTWPGCLWEKV-UHFFFAOYSA-N 1 0 370.449 2.553 20 10 FFCDRO CN(C)c1ccc(C[N@H+](Cc2ccc(OCC(N)=O)cc2)C2CC2)cc1 ZINC000726068234 1020409531 /nfs/dbraw/zinc/40/95/31/1020409531.db2.gz UHUVVGGMPNSEBV-UHFFFAOYSA-N 1 0 353.466 2.781 20 10 FFCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000902759009 1020456850 /nfs/dbraw/zinc/45/68/50/1020456850.db2.gz MZPLKQLPSWYYNC-QWFCFKBJSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000726705326 1020509967 /nfs/dbraw/zinc/50/99/67/1020509967.db2.gz HZFFNSQOPPPDCP-HKUYNNGSSA-N 1 0 372.513 2.590 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc(F)c1N1CCOCC1 ZINC000903014972 1020626605 /nfs/dbraw/zinc/62/66/05/1020626605.db2.gz CGKHTDQGVXPUBT-YAUBAPCASA-N 1 0 364.436 2.705 20 10 FFCDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217951309 1032915962 /nfs/dbraw/zinc/91/59/62/1032915962.db2.gz RDNZBPBZIQTACJ-GOEBONIOSA-N 1 0 369.392 2.945 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc2ccccc2c1O ZINC000903398473 1020821583 /nfs/dbraw/zinc/82/15/83/1020821583.db2.gz SEMFLUZAPPYZMF-ZFWWWQNUSA-N 1 0 350.422 2.971 20 10 FFCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002595 1032938928 /nfs/dbraw/zinc/93/89/28/1032938928.db2.gz CVCVWDLWQMOLLA-DQXYTYHJSA-N 1 0 358.482 2.821 20 10 FFCDRO O=C1c2cccc(O[C@@H]3CC[NH2+]CC[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218020861 1032957509 /nfs/dbraw/zinc/95/75/09/1032957509.db2.gz WHJPXDWZYZRFKV-UKRRQHHQSA-N 1 0 355.365 2.637 20 10 FFCDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116441022 1021217816 /nfs/dbraw/zinc/21/78/16/1021217816.db2.gz DGOBEWXHBTUXNM-GOSISDBHSA-N 1 0 365.543 2.581 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1ccccc1)cc2=O ZINC000113149125 1021789522 /nfs/dbraw/zinc/78/95/22/1021789522.db2.gz VRECIULHYUSHEL-CYBMUJFWSA-N 1 0 354.410 2.805 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2C(=O)COc3ccccc32)cc1 ZINC001117831177 1021927248 /nfs/dbraw/zinc/92/72/48/1021927248.db2.gz KHLSXUMDGOKFJB-WAYWQWQTSA-N 1 0 351.450 2.781 20 10 FFCDRO CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC001118607719 1022312498 /nfs/dbraw/zinc/31/24/98/1022312498.db2.gz OBZTVLCYRIFRSY-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO c1cc(CN2CCO[C@H](C[NH2+]Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001118805352 1022414639 /nfs/dbraw/zinc/41/46/39/1022414639.db2.gz BNCPEQGCXLZGOJ-JOCHJYFZSA-N 1 0 366.509 2.672 20 10 FFCDRO COc1c(C)c(O[C@H]2CCC[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218284571 1033086458 /nfs/dbraw/zinc/08/64/58/1033086458.db2.gz XYIGXDCFMIVUIZ-ZDUSSCGKSA-N 1 0 351.402 2.910 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CC(OC(C)C)C3)CC2)cc1 ZINC000189512986 1023292652 /nfs/dbraw/zinc/29/26/52/1023292652.db2.gz IEOGIZLCQUZKJQ-UHFFFAOYSA-N 1 0 361.530 2.753 20 10 FFCDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000754123185 1023428533 /nfs/dbraw/zinc/42/85/33/1023428533.db2.gz QNBTUNGMVGAXNE-WBVHZDCISA-N 1 0 355.461 2.688 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c(O)c1C ZINC000756459789 1023713974 /nfs/dbraw/zinc/71/39/74/1023713974.db2.gz OZXAAFOLCRINFF-CABCVRRESA-N 1 0 359.422 2.828 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756526001 1023723045 /nfs/dbraw/zinc/72/30/45/1023723045.db2.gz PAHZCKSGZQUMEI-JXFKEZNVSA-N 1 0 373.541 2.864 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3C[C@H](C)c4c3c(O)ccc4F)C2=O)n(C)n1 ZINC000756731577 1023751151 /nfs/dbraw/zinc/75/11/51/1023751151.db2.gz HEWQSJHXAFAYCP-BPNCWPANSA-N 1 0 358.417 2.517 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NCc3cc4c(cc3O)OCO4)c2)CC1 ZINC000191886100 1023932847 /nfs/dbraw/zinc/93/28/47/1023932847.db2.gz DSVCYDRHANHMQJ-UHFFFAOYSA-N 1 0 355.438 2.875 20 10 FFCDRO [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)C1CCCCCC1 ZINC001122154196 1024390605 /nfs/dbraw/zinc/39/06/05/1024390605.db2.gz KOFMWRXXCMRFDS-OAQYLSRUSA-N 1 0 373.541 2.809 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000759642653 1024700728 /nfs/dbraw/zinc/70/07/28/1024700728.db2.gz JMHUXWMYGQWQNY-SFHVURJKSA-N 1 0 360.546 2.517 20 10 FFCDRO CC(C)(C)OC(=O)Nc1cc(NC(=O)C[C@@H]([NH3+])c2ccccc2O)ncn1 ZINC001218576903 1033230668 /nfs/dbraw/zinc/23/06/68/1033230668.db2.gz ZTUGURCDCISXHB-GFCCVEGCSA-N 1 0 373.413 2.558 20 10 FFCDRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141140046 1025507941 /nfs/dbraw/zinc/50/79/41/1025507941.db2.gz HJIABJHDEOMPBU-UHFFFAOYSA-N 1 0 373.497 2.960 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC001141142914 1025514693 /nfs/dbraw/zinc/51/46/93/1025514693.db2.gz GGNALLILWUNHKC-UHFFFAOYSA-N 1 0 357.498 2.786 20 10 FFCDRO Cc1cncnc1OC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141146104 1025523652 /nfs/dbraw/zinc/52/36/52/1025523652.db2.gz KUYGGKFDLKKEOV-UHFFFAOYSA-N 1 0 354.454 2.657 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1c1ccccc1 ZINC001141146438 1025525290 /nfs/dbraw/zinc/52/52/90/1025525290.db2.gz VKTRELNKFAVJCY-OALUTQOASA-N 1 0 366.461 2.904 20 10 FFCDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(O)ccc4O)CC[N@@H+]3C2)cc1 ZINC001141159008 1025541351 /nfs/dbraw/zinc/54/13/51/1025541351.db2.gz VVCLKUYCBIYXKE-PXNSSMCTSA-N 1 0 354.450 2.744 20 10 FFCDRO Cn1c2ccccc2n(C2CC[NH+](Cc3cc(O)ccc3O)CC2)c1=O ZINC001141160247 1025542002 /nfs/dbraw/zinc/54/20/02/1025542002.db2.gz UUPTYMLGJYNLOM-UHFFFAOYSA-N 1 0 353.422 2.588 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141160179 1025542399 /nfs/dbraw/zinc/54/23/99/1025542399.db2.gz SIDAJKVGXQLLII-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(C)C)cc1 ZINC000838529211 1026401011 /nfs/dbraw/zinc/40/10/11/1026401011.db2.gz MENAHJCOCAWNMP-MRXNPFEDSA-N 1 0 362.518 2.835 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc4c(n3)CCC4)cc2)C1 ZINC000838988010 1026559893 /nfs/dbraw/zinc/55/98/93/1026559893.db2.gz WHBDHLHOODLJEF-SFHVURJKSA-N 1 0 364.493 2.562 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](C[C@H]3CCC(=O)N3)C(C)C)cc2)CC1 ZINC000839670681 1026787185 /nfs/dbraw/zinc/78/71/85/1026787185.db2.gz WIZPLGMIVCWTCG-GOSISDBHSA-N 1 0 359.514 2.791 20 10 FFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(O)ccc4ccc(OC)cc43)[C@H]2C1 ZINC000840084180 1026949484 /nfs/dbraw/zinc/94/94/84/1026949484.db2.gz QCIHPUSQRZTQEM-PZJWPPBQSA-N 1 0 356.466 2.849 20 10 FFCDRO CC(C)CONC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000091708352 1026982869 /nfs/dbraw/zinc/98/28/69/1026982869.db2.gz NEGKPQHZLQBILE-UHFFFAOYSA-N 1 0 360.502 2.605 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000840481778 1027089055 /nfs/dbraw/zinc/08/90/55/1027089055.db2.gz NKJQQAIHAYGBHR-FUHIMQAGSA-N 1 0 360.546 2.974 20 10 FFCDRO CN(C)c1cc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)ncn1 ZINC001158869934 1027166421 /nfs/dbraw/zinc/16/64/21/1027166421.db2.gz GFFWMNKQHOCCKV-UHFFFAOYSA-N 1 0 367.375 2.768 20 10 FFCDRO Nc1ccc(CC(=O)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001160052073 1027574109 /nfs/dbraw/zinc/57/41/09/1027574109.db2.gz LKMFNDLNVZRJKT-UHFFFAOYSA-N 1 0 364.493 2.721 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](N4CCOCC4)C[C@@H]3C)c2c1 ZINC000795698308 1027869024 /nfs/dbraw/zinc/86/90/24/1027869024.db2.gz PROIRLIUPYVJKA-DOTOQJQBSA-N 1 0 356.466 2.849 20 10 FFCDRO Cc1cccc(C[C@]2(C(=O)N3CCc4cccc(O)c4C3)CCC[NH2+]2)c1 ZINC001160872667 1027905132 /nfs/dbraw/zinc/90/51/32/1027905132.db2.gz OONYTCDQKLRWED-QFIPXVFZSA-N 1 0 350.462 2.950 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161838039 1028328814 /nfs/dbraw/zinc/32/88/14/1028328814.db2.gz UGFQEOFHJRITPN-CVEARBPZSA-N 1 0 370.424 2.831 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2C)cc1C ZINC001104028918 1028488918 /nfs/dbraw/zinc/48/89/18/1028488918.db2.gz TXSMFNQZXSEIOR-SJLPKXTDSA-N 1 0 370.497 2.544 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2C)cc1C ZINC001104106275 1028573972 /nfs/dbraw/zinc/57/39/72/1028573972.db2.gz PPQGVMQBBGTVCX-SJLPKXTDSA-N 1 0 368.481 2.682 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000780902190 1028856823 /nfs/dbraw/zinc/85/68/23/1028856823.db2.gz ATAMMKOUBTYDRR-UHFFFAOYSA-N 1 0 370.449 2.809 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(F)c(C)n3)CC2)cc1 ZINC001156261405 1029116283 /nfs/dbraw/zinc/11/62/83/1029116283.db2.gz VCXUODBEIJCFJY-UHFFFAOYSA-N 1 0 359.449 2.557 20 10 FFCDRO COc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1NC(C)C ZINC001156650690 1029287579 /nfs/dbraw/zinc/28/75/79/1029287579.db2.gz CCLLFEYIABGMDB-UHFFFAOYSA-N 1 0 370.501 2.669 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4[nH]cc([N+](=O)[O-])c4n3)cc2)CC1 ZINC001156658623 1029294567 /nfs/dbraw/zinc/29/45/67/1029294567.db2.gz XQROXCBYZFFOFV-UHFFFAOYSA-N 1 0 366.425 2.835 20 10 FFCDRO COCCCN(CCO)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000782578386 1029752454 /nfs/dbraw/zinc/75/24/54/1029752454.db2.gz YKXQTWGSKWAXCE-UHFFFAOYSA-N 1 0 362.445 2.747 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1 ZINC000840875558 1029901182 /nfs/dbraw/zinc/90/11/82/1029901182.db2.gz OBSXNYLVKBCKML-ARJAWSKDSA-N 1 0 352.482 2.787 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000840932585 1029932308 /nfs/dbraw/zinc/93/23/08/1029932308.db2.gz AUYYDXUOBMHXPR-LJQANCHMSA-N 1 0 367.541 2.756 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000840975102 1029957978 /nfs/dbraw/zinc/95/79/78/1029957978.db2.gz DDJTVTAOWIQJDE-MRXNPFEDSA-N 1 0 355.482 2.646 20 10 FFCDRO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1O ZINC000783510683 1030131577 /nfs/dbraw/zinc/13/15/77/1030131577.db2.gz RKHDERNEKKWLQZ-QGZVFWFLSA-N 1 0 359.514 2.767 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000841322435 1030196537 /nfs/dbraw/zinc/19/65/37/1030196537.db2.gz QAXHSNUEDMHTHK-INIZCTEOSA-N 1 0 353.470 2.594 20 10 FFCDRO O=C(COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(O)c(O)c1 ZINC000783656226 1030213336 /nfs/dbraw/zinc/21/33/36/1030213336.db2.gz WEDIKHDJWFMYNR-QGZVFWFLSA-N 1 0 369.417 2.736 20 10 FFCDRO C[C@@H]([NH2+]Cc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1)c1ccccc1O ZINC000697568141 1030295634 /nfs/dbraw/zinc/29/56/34/1030295634.db2.gz JDHOEWIQRDHHDW-GFCCVEGCSA-N 1 0 374.441 2.763 20 10 FFCDRO [NH3+][C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000841707043 1030419183 /nfs/dbraw/zinc/41/91/83/1030419183.db2.gz MIDSFGGNYWOHNO-IBGZPJMESA-N 1 0 370.522 2.739 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000841739695 1030437780 /nfs/dbraw/zinc/43/77/80/1030437780.db2.gz BBTOEZHEDCYQLR-UZLBHIALSA-N 1 0 368.481 2.583 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841823661 1030487484 /nfs/dbraw/zinc/48/74/84/1030487484.db2.gz GAXDCQOFDRXKRK-RTBURBONSA-N 1 0 358.530 2.982 20 10 FFCDRO CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841854599 1030504228 /nfs/dbraw/zinc/50/42/28/1030504228.db2.gz CRKVOAABNRTRPS-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000841857444 1030506021 /nfs/dbraw/zinc/50/60/21/1030506021.db2.gz ZCDHXLITJNGKSK-UZLBHIALSA-N 1 0 352.482 2.774 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@@H]3CC=CCC3)CC2)cc1 ZINC000784385098 1030596677 /nfs/dbraw/zinc/59/66/77/1030596677.db2.gz JAORSKQWGRRZKD-GOSISDBHSA-N 1 0 357.498 2.632 20 10 FFCDRO COCCN1CC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000784533565 1030670011 /nfs/dbraw/zinc/67/00/11/1030670011.db2.gz NWSWZIIPRYGXQG-MRXNPFEDSA-N 1 0 369.456 2.567 20 10 FFCDRO CC(C)CNC(=O)c1nc2c(s1)CC[N@H+](Cc1ccccc1O)CC2 ZINC001203555895 1030761928 /nfs/dbraw/zinc/76/19/28/1030761928.db2.gz JMPIVZWQCYUVDI-UHFFFAOYSA-N 1 0 359.495 2.835 20 10 FFCDRO O=C1[C@H]2CCC[N@@H+](Cc3ccccc3O)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001203555713 1030762945 /nfs/dbraw/zinc/76/29/45/1030762945.db2.gz DHKATSQRQBJDBY-HKUYNNGSSA-N 1 0 350.418 2.542 20 10 FFCDRO CC(C)(C)OC(=O)NC1CN([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001203558330 1030767629 /nfs/dbraw/zinc/76/76/29/1030767629.db2.gz FJMFEGRRNFSIOL-QGZVFWFLSA-N 1 0 361.486 2.566 20 10 FFCDRO COc1cccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1O ZINC001203592649 1030776561 /nfs/dbraw/zinc/77/65/61/1030776561.db2.gz UCQDSOZGLVNNGL-UHFFFAOYSA-N 1 0 362.433 2.854 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1O ZINC001203616917 1030786249 /nfs/dbraw/zinc/78/62/49/1030786249.db2.gz AHJARMVWBGMAPE-MRXNPFEDSA-N 1 0 355.438 2.580 20 10 FFCDRO COc1ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001203622249 1030791280 /nfs/dbraw/zinc/79/12/80/1030791280.db2.gz VOARJLMZZDZIJX-APWZRJJASA-N 1 0 370.424 2.630 20 10 FFCDRO COc1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(O)c1 ZINC001203628011 1030794838 /nfs/dbraw/zinc/79/48/38/1030794838.db2.gz VQYLXMNOSDNPKZ-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO COCC[N@H+](Cc1cc(Br)ccc1O)C1CCN(C)CC1 ZINC001203643079 1030802036 /nfs/dbraw/zinc/80/20/36/1030802036.db2.gz RRNYZVZOXFMVJZ-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c1 ZINC001203671107 1030816409 /nfs/dbraw/zinc/81/64/09/1030816409.db2.gz JMVQICPGXMUEDM-APWZRJJASA-N 1 0 370.424 2.630 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(C[C@H](OC)c3ccccc3)CC2)c1 ZINC001203680179 1030824514 /nfs/dbraw/zinc/82/45/14/1030824514.db2.gz IWBXHSFHBSIIPF-NRFANRHFSA-N 1 0 356.466 2.906 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cc1O ZINC001203877402 1030952496 /nfs/dbraw/zinc/95/24/96/1030952496.db2.gz ROGLLCIDCJVLNO-OAHLLOKOSA-N 1 0 374.412 2.834 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000842785630 1030957228 /nfs/dbraw/zinc/95/72/28/1030957228.db2.gz UVZIFNRQWVRQGT-HXUWFJFHSA-N 1 0 373.522 2.610 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC001203930664 1030989679 /nfs/dbraw/zinc/98/96/79/1030989679.db2.gz CIOXIJBUYPVHPC-TYPHKJRUSA-N 1 0 371.525 2.648 20 10 FFCDRO CCN(CC)c1ccc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC001203940745 1030997148 /nfs/dbraw/zinc/99/71/48/1030997148.db2.gz YLWBSSNHBKSPRJ-IBGZPJMESA-N 1 0 355.530 2.923 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240637 1031181012 /nfs/dbraw/zinc/18/10/12/1031181012.db2.gz AJOKZQLGYIMKDT-UHFFFAOYSA-N 1 0 355.482 2.633 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274179 1031202340 /nfs/dbraw/zinc/20/23/40/1031202340.db2.gz KTOMDZOANHVOFH-SFHVURJKSA-N 1 0 352.434 2.594 20 10 FFCDRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccc(O)cc1O ZINC001204274594 1031202992 /nfs/dbraw/zinc/20/29/92/1031202992.db2.gz QBDCKQOHQGOPAQ-OAQYLSRUSA-N 1 0 367.449 2.650 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001204329270 1031231429 /nfs/dbraw/zinc/23/14/29/1031231429.db2.gz JMDQMQZYHJQZNB-SFHVURJKSA-N 1 0 354.454 2.739 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339212 1031235092 /nfs/dbraw/zinc/23/50/92/1031235092.db2.gz AABMMIJGNHMYJW-MNOVXSKESA-N 1 0 372.259 2.937 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@H]1C ZINC001204339246 1031235127 /nfs/dbraw/zinc/23/51/27/1031235127.db2.gz CNHGSUFBWCGWCN-GXFFZTMASA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346040 1031243499 /nfs/dbraw/zinc/24/34/99/1031243499.db2.gz KCQDXUDYRTXOJS-CQSZACIVSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204350774 1031247543 /nfs/dbraw/zinc/24/75/43/1031247543.db2.gz JBRVQFPAGHXRAU-IBGZPJMESA-N 1 0 366.458 2.843 20 10 FFCDRO CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000798106149 1031310589 /nfs/dbraw/zinc/31/05/89/1031310589.db2.gz TYDBTMBEOGZRSQ-UYAOXDASSA-N 1 0 356.514 2.816 20 10 FFCDRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCO1 ZINC000843369119 1031362286 /nfs/dbraw/zinc/36/22/86/1031362286.db2.gz CTTQDQCDMBQRJP-SFHVURJKSA-N 1 0 353.426 2.700 20 10 FFCDRO Cc1cc(NC(=O)NCc2ccccc2O)ccc1N1CC[NH+](C)CC1 ZINC001115925588 1032016858 /nfs/dbraw/zinc/01/68/58/1032016858.db2.gz PZJPPKRUKGMKGA-UHFFFAOYSA-N 1 0 354.454 2.774 20 10 FFCDRO COC1CCN(c2ccc(CN3CCOC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000829708996 1033297481 /nfs/dbraw/zinc/29/74/81/1033297481.db2.gz VNEFOQNTPPOMAB-NHCUHLMSSA-N 1 0 360.498 2.682 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3COC[C@H]3[NH3+])cc2)cc1 ZINC001219203606 1033554519 /nfs/dbraw/zinc/55/45/19/1033554519.db2.gz KAMSMWDCAGUJCG-YIYNPQHWSA-N 1 0 351.450 2.835 20 10 FFCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000830545003 1033667270 /nfs/dbraw/zinc/66/72/70/1033667270.db2.gz VOHCJJAMAWDWCF-GOSISDBHSA-N 1 0 368.477 2.972 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3O)CC2)C1 ZINC001138123950 1033801963 /nfs/dbraw/zinc/80/19/63/1033801963.db2.gz SMFIWCGJYCZJGX-INIZCTEOSA-N 1 0 364.461 2.771 20 10 FFCDRO O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001219856714 1033852892 /nfs/dbraw/zinc/85/28/92/1033852892.db2.gz YESLQSOBRUDCDC-ABGRICBDSA-N 1 0 352.394 2.524 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339155 1034170488 /nfs/dbraw/zinc/17/04/88/1034170488.db2.gz ARTGWWUPGZZSER-UHFFFAOYSA-N 1 0 367.497 2.599 20 10 FFCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138342310 1034172165 /nfs/dbraw/zinc/17/21/65/1034172165.db2.gz QAEQHMJMBMWGDZ-SFHVURJKSA-N 1 0 357.498 2.534 20 10 FFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497263 1034334576 /nfs/dbraw/zinc/33/45/76/1034334576.db2.gz GNMAOMJGCZJJOO-IRLDBZIGSA-N 1 0 374.525 2.931 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@]1(O)C(F)(F)F ZINC001138496475 1034335317 /nfs/dbraw/zinc/33/53/17/1034335317.db2.gz QWFOMGKXXZBTSP-RHSMWYFYSA-N 1 0 358.404 2.658 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001138499312 1034339985 /nfs/dbraw/zinc/33/99/85/1034339985.db2.gz CSJLEEXSHFBNDC-FQEVSTJZSA-N 1 0 369.465 2.580 20 10 FFCDRO c1cncc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC001138499875 1034343298 /nfs/dbraw/zinc/34/32/98/1034343298.db2.gz NDEXWYDPNMAQEJ-UHFFFAOYSA-N 1 0 352.482 2.631 20 10 FFCDRO Cc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1CCC(C)C ZINC000832265933 1034686865 /nfs/dbraw/zinc/68/68/65/1034686865.db2.gz BYPINAAVRCUHNL-IBGZPJMESA-N 1 0 357.502 2.733 20 10 FFCDRO COc1ccc(C[C@@H](C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265939 1034687019 /nfs/dbraw/zinc/68/70/19/1034687019.db2.gz BZZNGJBJINSPFW-QRWLVFNGSA-N 1 0 355.482 2.756 20 10 FFCDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266418 1034688580 /nfs/dbraw/zinc/68/85/80/1034688580.db2.gz FSODGIRFXDMGTF-KRWDZBQOSA-N 1 0 356.426 2.707 20 10 FFCDRO COc1ccc(CCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832278534 1034696989 /nfs/dbraw/zinc/69/69/89/1034696989.db2.gz DSWOVRDPEYOORC-FQEVSTJZSA-N 1 0 355.482 2.900 20 10 FFCDRO CC(C)Oc1cccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832280239 1034699101 /nfs/dbraw/zinc/69/91/01/1034699101.db2.gz OEQUSWOYIFKKJZ-FQEVSTJZSA-N 1 0 355.482 2.899 20 10 FFCDRO CSc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000832283995 1034700893 /nfs/dbraw/zinc/70/08/93/1034700893.db2.gz FMPSZSDXMBPENH-OAHLLOKOSA-N 1 0 374.466 2.813 20 10 FFCDRO CCCOc1cc(OC)ccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286188 1034701614 /nfs/dbraw/zinc/70/16/14/1034701614.db2.gz WYGQCTINGGCTQF-IBGZPJMESA-N 1 0 371.481 2.980 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000832299571 1034713714 /nfs/dbraw/zinc/71/37/14/1034713714.db2.gz DYRXJYPJJDQCNW-INIZCTEOSA-N 1 0 373.501 2.572 20 10 FFCDRO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300570 1034714263 /nfs/dbraw/zinc/71/42/63/1034714263.db2.gz ZEKAIRLPKFXOCJ-VFNWGFHPSA-N 1 0 367.493 2.825 20 10 FFCDRO COc1cc(CN2CCc3cc4c(cc3C2)OCO4)cc(C[NH+](C)C)c1O ZINC001139255619 1035029636 /nfs/dbraw/zinc/02/96/36/1035029636.db2.gz QJSOIDREUVMNBU-UHFFFAOYSA-N 1 0 370.449 2.749 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3[C@@H](C(F)(F)F)CCC[C@H]3CO)cc2)CC1 ZINC001139407910 1035092826 /nfs/dbraw/zinc/09/28/26/1035092826.db2.gz GBMLLARJEMZTQC-ZWKOTPCHSA-N 1 0 371.447 2.716 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC001139855566 1035256223 /nfs/dbraw/zinc/25/62/23/1035256223.db2.gz WFLFSSIETUPFBC-UHFFFAOYSA-N 1 0 364.453 2.588 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(cnn4C)c3)CC2)c(OC)c1 ZINC001139957175 1035291310 /nfs/dbraw/zinc/29/13/10/1035291310.db2.gz DODLVKQRLFXKBD-UHFFFAOYSA-N 1 0 366.465 2.913 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1O ZINC001140181078 1035371046 /nfs/dbraw/zinc/37/10/46/1035371046.db2.gz QAABOGQCDQOUIX-KRWDZBQOSA-N 1 0 351.454 2.734 20 10 FFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834598164 1035412564 /nfs/dbraw/zinc/41/25/64/1035412564.db2.gz NSORHQAXTCGNNX-ZCNNSNEGSA-N 1 0 352.478 2.852 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+][C@@H]2CCc3cccc(O)c32)cc(OC)c1 ZINC000834611791 1035418072 /nfs/dbraw/zinc/41/80/72/1035418072.db2.gz OJZGOFIAENZNRM-DNVCBOLYSA-N 1 0 357.450 2.838 20 10 FFCDRO CC(C)c1nc(CC[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)no1 ZINC001140283254 1035418153 /nfs/dbraw/zinc/41/81/53/1035418153.db2.gz QJGDTTIUIJUEIG-UHFFFAOYSA-N 1 0 358.486 2.829 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1)C1CCC1 ZINC001140285621 1035418928 /nfs/dbraw/zinc/41/89/28/1035418928.db2.gz BPDCEDRHWFZJFL-UHFFFAOYSA-N 1 0 371.525 2.528 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCCN(c4cccnc4)CC3)cc2)CC1 ZINC001140287551 1035419665 /nfs/dbraw/zinc/41/96/65/1035419665.db2.gz YCRZSUIXBRWZLT-UHFFFAOYSA-N 1 0 366.509 2.755 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140287957 1035420000 /nfs/dbraw/zinc/42/00/00/1035420000.db2.gz LUEXUFCNJPNVOY-NRFANRHFSA-N 1 0 360.498 2.813 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@@H](c4ccccn4)C3)cc2)CC1 ZINC001140305600 1035427292 /nfs/dbraw/zinc/42/72/92/1035427292.db2.gz DKQGRHHRNUVNOR-JOCHJYFZSA-N 1 0 366.509 2.797 20 10 FFCDRO CCCCN(CC(=O)OCC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140306830 1035428247 /nfs/dbraw/zinc/42/82/47/1035428247.db2.gz YTKSUBBHKYMUKN-UHFFFAOYSA-N 1 0 361.530 2.994 20 10 FFCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c(O)cccc4Cl)C[C@@H]3C2)cn1 ZINC001140338597 1035443957 /nfs/dbraw/zinc/44/39/57/1035443957.db2.gz LZLRBPXBMFBGOJ-CVEARBPZSA-N 1 0 360.889 2.733 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(O)cccc3Cl)CC2)C1 ZINC001140342620 1035445518 /nfs/dbraw/zinc/44/55/18/1035445518.db2.gz QZWGKNLDWMZVOA-CQSZACIVSA-N 1 0 366.889 2.895 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)[C@@H](COC)C1=O ZINC001140465093 1035485396 /nfs/dbraw/zinc/48/53/96/1035485396.db2.gz HZWXFNMBLMOMLB-INIZCTEOSA-N 1 0 366.889 2.753 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(C(=O)Nc3nncs3)CC2)cc1 ZINC000835053864 1035494525 /nfs/dbraw/zinc/49/45/25/1035494525.db2.gz PUNGQBAHBGLQMD-ARJAWSKDSA-N 1 0 371.510 2.968 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000835082957 1035521561 /nfs/dbraw/zinc/52/15/61/1035521561.db2.gz XLQUEVOCYHRMNK-INIZCTEOSA-N 1 0 366.458 2.516 20 10 FFCDRO O=C1CC2(CN1CC1CC1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264590 1035536464 /nfs/dbraw/zinc/53/64/64/1035536464.db2.gz JJXBDPTWXURCIN-UHFFFAOYSA-N 1 0 364.873 2.976 20 10 FFCDRO O=C1N(CC2CC2)CCC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232266799 1035538445 /nfs/dbraw/zinc/53/84/45/1035538445.db2.gz ZDFAQYFCRZYHNZ-UHFFFAOYSA-N 1 0 364.873 2.976 20 10 FFCDRO CC[NH+](CC)CCCN1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267674 1035538675 /nfs/dbraw/zinc/53/86/75/1035538675.db2.gz KDEONHJLSBXPLD-UHFFFAOYSA-N 1 0 355.910 2.601 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)cc1Cl ZINC001232265836 1035538916 /nfs/dbraw/zinc/53/89/16/1035538916.db2.gz BIITXZYMCFAXKT-SFHVURJKSA-N 1 0 360.845 2.699 20 10 FFCDRO CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001277213402 1035576779 /nfs/dbraw/zinc/57/67/79/1035576779.db2.gz NPZRHFCBFIGARU-OAQYLSRUSA-N 1 0 359.514 2.986 20 10 FFCDRO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001277214998 1035585930 /nfs/dbraw/zinc/58/59/30/1035585930.db2.gz VAEUGBCGFXNWNK-JCURWCKSSA-N 1 0 364.873 2.897 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c1 ZINC001140620774 1035749792 /nfs/dbraw/zinc/74/97/92/1035749792.db2.gz BCWNSGJHKPXXGR-RBUKOAKNSA-N 1 0 351.450 2.779 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c1 ZINC001140624064 1035753859 /nfs/dbraw/zinc/75/38/59/1035753859.db2.gz FCJQZAHIWUKFOX-FQEVSTJZSA-N 1 0 362.470 2.912 20 10 FFCDRO CCOC(=O)C1(F)CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140661476 1035810407 /nfs/dbraw/zinc/81/04/07/1035810407.db2.gz GGUUTFAHFQHFIK-UHFFFAOYSA-N 1 0 368.424 2.530 20 10 FFCDRO COCC[NH+]1CCC(Oc2c(O)c(O)ccc2C(=O)c2ccccc2)CC1 ZINC001227939730 1035823539 /nfs/dbraw/zinc/82/35/39/1035823539.db2.gz DIBIXUDIBFEQJI-UHFFFAOYSA-N 1 0 371.433 2.818 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001140667918 1035829216 /nfs/dbraw/zinc/82/92/16/1035829216.db2.gz MJGXAOQNMNXFJH-PMACEKPBSA-N 1 0 365.468 2.671 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1O ZINC001140748297 1036048009 /nfs/dbraw/zinc/04/80/09/1036048009.db2.gz JOWOWZABDPIPGU-UHFFFAOYSA-N 1 0 369.465 2.673 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001232838492 1036093430 /nfs/dbraw/zinc/09/34/30/1036093430.db2.gz KPVYZLNWQVVHKA-SIKLNZKXSA-N 1 0 365.477 2.564 20 10 FFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232841486 1036098398 /nfs/dbraw/zinc/09/83/98/1036098398.db2.gz IHLMQVWBIQHOHZ-UHFFFAOYSA-N 1 0 372.469 2.609 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC001232974456 1036205055 /nfs/dbraw/zinc/20/50/55/1036205055.db2.gz OLVOYXSOVJBBPI-UHFFFAOYSA-N 1 0 372.250 2.667 20 10 FFCDRO Oc1cc(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)cc(O)c1O ZINC001233011143 1036244978 /nfs/dbraw/zinc/24/49/78/1036244978.db2.gz CUOSRLXYIJIMRE-UHFFFAOYSA-N 1 0 369.446 2.923 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233015251 1036253296 /nfs/dbraw/zinc/25/32/96/1036253296.db2.gz GQCAVEKRRIYJIY-BFHYXJOUSA-N 1 0 364.442 2.539 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c(O)c1 ZINC001140857359 1036295984 /nfs/dbraw/zinc/29/59/84/1036295984.db2.gz PINZEOLQIFFFMR-KRWDZBQOSA-N 1 0 362.518 2.910 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[C@](O)(CF)[C@@H](F)C2)c1O ZINC001233106391 1036354018 /nfs/dbraw/zinc/35/40/18/1036354018.db2.gz GDRRUVRVKKOIGA-JSGCOSHPSA-N 1 0 350.203 2.708 20 10 FFCDRO CC[N@H+](CCN1CCOCC1)Cc1cc(Br)cc(C)c1O ZINC001233109891 1036354964 /nfs/dbraw/zinc/35/49/64/1036354964.db2.gz LGTMRRWOUMNKDC-UHFFFAOYSA-N 1 0 357.292 2.617 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)cc1Br ZINC001233140939 1036387735 /nfs/dbraw/zinc/38/77/35/1036387735.db2.gz YYPYNIMXSFWZQS-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO CCCN(CC(=O)OCC)Cc1cc(Br)c(OC)cc1O ZINC001233142847 1036396234 /nfs/dbraw/zinc/39/62/34/1036396234.db2.gz ZFAMRBKZQHABKO-UHFFFAOYSA-N 1 0 360.248 2.938 20 10 FFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140922541 1036456893 /nfs/dbraw/zinc/45/68/93/1036456893.db2.gz UATVYNIMVFONAP-IEBWSBKVSA-N 1 0 366.889 2.950 20 10 FFCDRO CCOC(=O)c1c(C[N@H+]2CC[C@@H](C(=O)OCC)C2)c2ccccc2n1C ZINC001233272350 1036478661 /nfs/dbraw/zinc/47/86/61/1036478661.db2.gz HZJRCZLDZNXDKN-CQSZACIVSA-N 1 0 358.438 2.740 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c1 ZINC001233286640 1036492589 /nfs/dbraw/zinc/49/25/89/1036492589.db2.gz CSGNOTDJFWNOGX-UHFFFAOYSA-N 1 0 360.498 2.949 20 10 FFCDRO CN(C1CC[NH+](Cc2cc(C(C)(C)C)ccc2O)CC1)S(C)(=O)=O ZINC001233286352 1036492687 /nfs/dbraw/zinc/49/26/87/1036492687.db2.gz PVSBDJQYAXMZAH-UHFFFAOYSA-N 1 0 354.516 2.546 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)n1 ZINC001233287004 1036493158 /nfs/dbraw/zinc/49/31/58/1036493158.db2.gz RPJIKAGWEZFQOS-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO [O-]c1ccc(F)c(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233331734 1036537992 /nfs/dbraw/zinc/53/79/92/1036537992.db2.gz IZBQYXIHRMEBRJ-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4c([O-])ccc(F)c4F)C[C@@H]3C2)nn1 ZINC001233333033 1036538744 /nfs/dbraw/zinc/53/87/44/1036538744.db2.gz HNFMCOFIXPVOIQ-ZIAGYGMSSA-N 1 0 360.408 2.727 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)c(O)c1 ZINC001140950137 1036545849 /nfs/dbraw/zinc/54/58/49/1036545849.db2.gz OHULPHXBTHFQMZ-LJQANCHMSA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)c(O)c1 ZINC001140950594 1036547987 /nfs/dbraw/zinc/54/79/87/1036547987.db2.gz ZQLXKBCJDTYNAN-KNQAVFIVSA-N 1 0 372.509 2.942 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c(O)c1 ZINC001140950800 1036550377 /nfs/dbraw/zinc/55/03/77/1036550377.db2.gz JGNABWVPEJHPLC-ICSRJNTNSA-N 1 0 364.445 2.850 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(O)c1 ZINC001140952535 1036557052 /nfs/dbraw/zinc/55/70/52/1036557052.db2.gz WNJWNXLQBXBQTN-SJBKTWHCSA-N 1 0 367.493 2.959 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001233455770 1036634861 /nfs/dbraw/zinc/63/48/61/1036634861.db2.gz XZYLDAABQICQRV-CYBMUJFWSA-N 1 0 357.307 2.993 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cc(O)c(O)cc2O)CC1 ZINC001233483393 1036651469 /nfs/dbraw/zinc/65/14/69/1036651469.db2.gz YDEPGYMAUVDAFF-UHFFFAOYSA-N 1 0 364.442 2.779 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1)C1CC1 ZINC001233776178 1036758703 /nfs/dbraw/zinc/75/87/03/1036758703.db2.gz MIYACLPSONKMLK-CYBMUJFWSA-N 1 0 358.360 2.781 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(OC)c1 ZINC001141026724 1036760279 /nfs/dbraw/zinc/76/02/79/1036760279.db2.gz ARSCELPHKWMMOH-FQEVSTJZSA-N 1 0 362.470 2.632 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2OC)C[C@H]1c1ccccc1 ZINC001141033012 1036780364 /nfs/dbraw/zinc/78/03/64/1036780364.db2.gz WTUHOORPRDBMRU-IRXDYDNUSA-N 1 0 371.433 2.798 20 10 FFCDRO c1c(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc2c3c1CCCN3CCC2 ZINC001141076038 1036925132 /nfs/dbraw/zinc/92/51/32/1036925132.db2.gz KLBSVMMTRBGFEB-OAQYLSRUSA-N 1 0 355.526 2.682 20 10 FFCDRO Cc1cc(O)c(CN2CCC[C@@]23CCN(C)C3=O)cc1Br ZINC001277426545 1036950366 /nfs/dbraw/zinc/95/03/66/1036950366.db2.gz HLKAAIVTGRIECO-INIZCTEOSA-N 1 0 353.260 2.660 20 10 FFCDRO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001277849621 1037004087 /nfs/dbraw/zinc/00/40/87/1037004087.db2.gz YJORKDQNOFHVDA-OAHLLOKOSA-N 1 0 354.450 2.757 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(N4CCOCC4)CC3)c2c1 ZINC001234519245 1037071869 /nfs/dbraw/zinc/07/18/69/1037071869.db2.gz UIPGAWAZAJOKEM-UHFFFAOYSA-N 1 0 356.466 2.851 20 10 FFCDRO CC[NH+]1CCN(c2ccc(O[C@@H](Cc3ccccc3)C(=O)OC)cc2)CC1 ZINC001234657848 1037127443 /nfs/dbraw/zinc/12/74/43/1037127443.db2.gz JWYJLSQJZUOZGU-NRFANRHFSA-N 1 0 368.477 2.992 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc[nH+]cc2)cc1 ZINC001277878194 1037144455 /nfs/dbraw/zinc/14/44/55/1037144455.db2.gz BXCPEAMWIDWTPX-WOJBJXKFSA-N 1 0 350.466 2.918 20 10 FFCDRO CCOC(=O)c1sc(-c2ccc(O)c(CN3CC[NH2+][C@@H]4C[C@@H]43)c2)nc1C ZINC001235296270 1037457182 /nfs/dbraw/zinc/45/71/82/1037457182.db2.gz WEUBZDXBKLCISQ-CABCVRRESA-N 1 0 373.478 2.547 20 10 FFCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC001231467737 1037614648 /nfs/dbraw/zinc/61/46/48/1037614648.db2.gz KMOHVZGXVFVNFV-RTWAWAEBSA-N 1 0 357.450 2.536 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3c[nH]c4cnccc34)CC2)cc1 ZINC001231520278 1037651194 /nfs/dbraw/zinc/65/11/94/1037651194.db2.gz UNMGAFQTHWJHMP-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COc1ccc(Br)c(CN2CCOC3(CCOCC3)C2)c1O ZINC001231557478 1037679744 /nfs/dbraw/zinc/67/97/44/1037679744.db2.gz SJUQVZZIQZPXTF-UHFFFAOYSA-N 1 0 372.259 2.545 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC001231586201 1037705394 /nfs/dbraw/zinc/70/53/94/1037705394.db2.gz DIWVXUTVZWPWFT-TZIWHRDSSA-N 1 0 354.450 2.757 20 10 FFCDRO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC001231587395 1037706501 /nfs/dbraw/zinc/70/65/01/1037706501.db2.gz BUNMYAKSMMDCNN-OAQYLSRUSA-N 1 0 354.450 2.759 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2c(O)ccc3ccccc32)C1 ZINC001231588244 1037709150 /nfs/dbraw/zinc/70/91/50/1037709150.db2.gz UPXMRPWMVGCLGE-MRXNPFEDSA-N 1 0 350.466 2.936 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c1O ZINC001231592197 1037711328 /nfs/dbraw/zinc/71/13/28/1037711328.db2.gz FSVIVJQDDVIPTQ-KRWDZBQOSA-N 1 0 358.482 2.740 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)c1O ZINC001231593132 1037712672 /nfs/dbraw/zinc/71/26/72/1037712672.db2.gz ZZLBVNQUTJIIOX-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235767956 1037729632 /nfs/dbraw/zinc/72/96/32/1037729632.db2.gz BRMNIZDPOSFXHT-MRXNPFEDSA-N 1 0 362.470 2.570 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)cc1O ZINC001231634459 1037753715 /nfs/dbraw/zinc/75/37/15/1037753715.db2.gz NFPYWMYUFBYQMK-ZDUSSCGKSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231635976 1037759148 /nfs/dbraw/zinc/75/91/48/1037759148.db2.gz MXDNOTZQJGWDPB-UHFFFAOYSA-N 1 0 366.458 2.938 20 10 FFCDRO CC(C)C[C@H]1CN(Cc2cccc(I)c2O)CC[NH2+]1 ZINC001235884989 1037817799 /nfs/dbraw/zinc/81/77/99/1037817799.db2.gz PGABEBOWPZBDIV-ZDUSSCGKSA-N 1 0 374.266 2.817 20 10 FFCDRO c1cncc(COc2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)c1 ZINC001207897014 1037825480 /nfs/dbraw/zinc/82/54/80/1037825480.db2.gz YYVSBWNVCAQRHT-NRFANRHFSA-N 1 0 353.466 2.962 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001231857387 1037953336 /nfs/dbraw/zinc/95/33/36/1037953336.db2.gz ILQQVNRWDMFZJY-GOSISDBHSA-N 1 0 356.470 2.903 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)cc1Cl ZINC001231866668 1037962747 /nfs/dbraw/zinc/96/27/47/1037962747.db2.gz HIWWBSDBIRBSCZ-IIDMSEBBSA-N 1 0 366.889 2.669 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)cc1Cl ZINC001231868807 1037964005 /nfs/dbraw/zinc/96/40/05/1037964005.db2.gz XKYBRSZOMKNEGK-UHFFFAOYSA-N 1 0 371.872 2.854 20 10 FFCDRO C[N@H+](Cc1cccc(I)c1[O-])[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217746 1037990765 /nfs/dbraw/zinc/99/07/65/1037990765.db2.gz QILLGGDYZQTWAZ-QWHCGFSZSA-N 1 0 360.239 2.699 20 10 FFCDRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cccc(Cl)c4[O-])C3)C2=O)cn1 ZINC001231911535 1038009187 /nfs/dbraw/zinc/00/91/87/1038009187.db2.gz NHPDKXRQNSEQRD-LJQANCHMSA-N 1 0 374.872 2.798 20 10 FFCDRO O=C1N(C2CCCC2)CCC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001276553776 1038017238 /nfs/dbraw/zinc/01/72/38/1038017238.db2.gz UUTQHMCPUVQINN-UHFFFAOYSA-N 1 0 360.454 2.561 20 10 FFCDRO CC(C)N(Cc1ccc(I)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236531427 1038119270 /nfs/dbraw/zinc/11/92/70/1038119270.db2.gz YSSWJOGAZMDDFO-CYBMUJFWSA-N 1 0 360.239 2.569 20 10 FFCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236753040 1038239588 /nfs/dbraw/zinc/23/95/88/1038239588.db2.gz GDUFHZOHVYKZET-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236753166 1038240436 /nfs/dbraw/zinc/24/04/36/1038240436.db2.gz KCJNWPHVGPMQHS-MRXNPFEDSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)cc1OC ZINC001236756826 1038243729 /nfs/dbraw/zinc/24/37/29/1038243729.db2.gz TUYXIDUSXSCEAB-UHFFFAOYSA-N 1 0 362.470 2.680 20 10 FFCDRO Oc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(O)cc1Br ZINC001236762807 1038248871 /nfs/dbraw/zinc/24/88/71/1038248871.db2.gz RNVOKROKOVSMPT-CYBMUJFWSA-N 1 0 355.276 2.921 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001236786212 1038266099 /nfs/dbraw/zinc/26/60/99/1038266099.db2.gz SPJBUHKUWCMZJD-FQEVSTJZSA-N 1 0 368.477 2.878 20 10 FFCDRO Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001236792931 1038273908 /nfs/dbraw/zinc/27/39/08/1038273908.db2.gz JYRYJYNVVVKLQW-OKILXGFUSA-N 1 0 357.281 2.994 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCOC[C@@H]3c3cccnc3)c(F)c2)CC1 ZINC001236944086 1038372889 /nfs/dbraw/zinc/37/28/89/1038372889.db2.gz ZMNPQWKMYGJIEE-OAQYLSRUSA-N 1 0 370.472 2.546 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)c(O)c1 ZINC001237041462 1038418694 /nfs/dbraw/zinc/41/86/94/1038418694.db2.gz KRLBIVASHPZTQZ-UHFFFAOYSA-N 1 0 367.449 2.815 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c(O)c1 ZINC001237042871 1038419684 /nfs/dbraw/zinc/41/96/84/1038419684.db2.gz KQNOUETYCFZNDO-KRWDZBQOSA-N 1 0 364.486 2.687 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001237043066 1038420170 /nfs/dbraw/zinc/42/01/70/1038420170.db2.gz NGXNNDAINIBAOC-HDICACEKSA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001237043068 1038420679 /nfs/dbraw/zinc/42/06/79/1038420679.db2.gz NGXNNDAINIBAOC-QZTJIDSGSA-N 1 0 353.466 2.750 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c(O)c1 ZINC001237048064 1038422498 /nfs/dbraw/zinc/42/24/98/1038422498.db2.gz OYSFNLYDUUPSIU-QGZVFWFLSA-N 1 0 355.438 2.580 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC001237060727 1038428189 /nfs/dbraw/zinc/42/81/89/1038428189.db2.gz XUKPIBVQLTVFLC-UHFFFAOYSA-N 1 0 361.360 2.715 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(Br)c1 ZINC001237068488 1038433070 /nfs/dbraw/zinc/43/30/70/1038433070.db2.gz QVBSXZLDNRIUFQ-NSHDSACASA-N 1 0 367.247 2.592 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237072144 1038434820 /nfs/dbraw/zinc/43/48/20/1038434820.db2.gz CZIRHFKBCPTHNE-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237074043 1038436123 /nfs/dbraw/zinc/43/61/23/1038436123.db2.gz ZCWZDASMGIOIKK-QWRGUYRKSA-N 1 0 372.259 2.794 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001237111511 1038445806 /nfs/dbraw/zinc/44/58/06/1038445806.db2.gz QCHHDBWAPBKURB-ZDUSSCGKSA-N 1 0 360.376 2.587 20 10 FFCDRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3c(O)ccc(F)c3Cl)C[C@@H]2C1 ZINC001237122459 1038449286 /nfs/dbraw/zinc/44/92/86/1038449286.db2.gz UEUODGSPWJONEB-VXGBXAGGSA-N 1 0 364.804 2.982 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001256521036 1038541589 /nfs/dbraw/zinc/54/15/89/1038541589.db2.gz XNNOWYHZQMBZDO-FQELHTAISA-N 1 0 356.466 2.774 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)Cc3ccncc3)CC2)cc1 ZINC001256721709 1038609683 /nfs/dbraw/zinc/60/96/83/1038609683.db2.gz TXUOCEHWZNSGDH-LJQANCHMSA-N 1 0 368.525 2.823 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@H](C)Cc3ccncc3)CC2)cc1 ZINC001256750187 1038618272 /nfs/dbraw/zinc/61/82/72/1038618272.db2.gz SHBWRSYDEPAYCS-GOSISDBHSA-N 1 0 355.482 2.860 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001209301482 1038749417 /nfs/dbraw/zinc/74/94/17/1038749417.db2.gz SNATVSGNJYSZPX-UHFFFAOYSA-N 1 0 356.466 2.913 20 10 FFCDRO COC(=O)C1CCC([NH+]2CCN(c3ccc(OC)cc3OC)CC2)CC1 ZINC001257869110 1039031308 /nfs/dbraw/zinc/03/13/08/1039031308.db2.gz VXLZCWLPODUKMW-UHFFFAOYSA-N 1 0 362.470 2.558 20 10 FFCDRO COC(=O)CC[C@@H](C)N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001258358898 1039331011 /nfs/dbraw/zinc/33/10/11/1039331011.db2.gz MKZWJDZRICVZSA-SMHULIPUSA-N 1 0 358.438 2.770 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)c(C)c1 ZINC001251933040 1039364705 /nfs/dbraw/zinc/36/47/05/1039364705.db2.gz SOXUKPICJVHIAP-SFHVURJKSA-N 1 0 374.456 2.705 20 10 FFCDRO Cc1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2ccc(N(C)C)c(C)c2)n(C)n1 ZINC001278686062 1039765587 /nfs/dbraw/zinc/76/55/87/1039765587.db2.gz IKXFZXGBEAMSHH-BGYRXZFFSA-N 1 0 353.514 2.562 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2c(C)cc(C)cc2O)cc1 ZINC001253070048 1039961728 /nfs/dbraw/zinc/96/17/28/1039961728.db2.gz CTFOTEPFZIHYIC-GOSISDBHSA-N 1 0 359.466 2.727 20 10 FFCDRO CC[NH+](CC)C[C@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001253175151 1040023877 /nfs/dbraw/zinc/02/38/77/1040023877.db2.gz WHWRRVTWNSFVCM-OAHLLOKOSA-N 1 0 352.434 2.577 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253899145 1040440199 /nfs/dbraw/zinc/44/01/99/1040440199.db2.gz BICUDZYSKCKQMZ-QQGDVQBRSA-N 1 0 374.391 2.563 20 10 FFCDRO Cc1ncsc1CN1CC2(C1)CCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001278750188 1040458355 /nfs/dbraw/zinc/45/83/55/1040458355.db2.gz HJEDOUWJXTTYPH-UHFFFAOYSA-N 1 0 359.495 2.961 20 10 FFCDRO Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)Cc3ccccc3O)CC2)cc1 ZINC001254183450 1040602359 /nfs/dbraw/zinc/60/23/59/1040602359.db2.gz VLGVRTVRDRYQPN-UHFFFAOYSA-N 1 0 374.506 2.986 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(O)c1 ZINC001249201341 1040625843 /nfs/dbraw/zinc/62/58/43/1040625843.db2.gz PEDIIVNIQUVCJR-UHFFFAOYSA-N 1 0 372.440 2.565 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001249214686 1040628071 /nfs/dbraw/zinc/62/80/71/1040628071.db2.gz QFTSBNFOYLJDSK-MRXNPFEDSA-N 1 0 364.442 2.506 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccccc3)CC2)c(O)c1 ZINC001249208219 1040629554 /nfs/dbraw/zinc/62/95/54/1040629554.db2.gz QGPACOASBNWZEF-KRWDZBQOSA-N 1 0 368.477 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC001254715833 1040904228 /nfs/dbraw/zinc/90/42/28/1040904228.db2.gz ATDZHYDSRLDOKZ-AZUAARDMSA-N 1 0 356.514 2.913 20 10 FFCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CC)O1 ZINC001254716444 1040905614 /nfs/dbraw/zinc/90/56/14/1040905614.db2.gz NPBKRRYWOXLZMK-WOJBJXKFSA-N 1 0 374.529 2.537 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001249725497 1040965517 /nfs/dbraw/zinc/96/55/17/1040965517.db2.gz PCGCEMRRHIQCLL-CRAIPNDOSA-N 1 0 365.470 2.707 20 10 FFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(C)c(Br)cc3O)C[C@@H]2C1 ZINC001250126398 1041123007 /nfs/dbraw/zinc/12/30/07/1041123007.db2.gz BMINZUCVHGPKOE-WMLDXEAASA-N 1 0 369.303 2.616 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)NC(C)C)C3)CC2)c1O ZINC001278562467 1041179560 /nfs/dbraw/zinc/17/95/60/1041179560.db2.gz GEIPTPKSZFBZEG-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c1 ZINC001278568558 1041203454 /nfs/dbraw/zinc/20/34/54/1041203454.db2.gz ALBHBMXNVUHGBQ-UHFFFAOYSA-N 1 0 372.490 2.739 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(Cc4cn[nH]c4)C3)C2)c1 ZINC001278571142 1041217201 /nfs/dbraw/zinc/21/72/01/1041217201.db2.gz PCYJUGWSXJKIHH-FQEVSTJZSA-N 1 0 356.470 2.612 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1=CCC[NH2+]CC1 ZINC001263090726 1042096385 /nfs/dbraw/zinc/09/63/85/1042096385.db2.gz SGOCKHWTNCITDM-UHFFFAOYSA-N 1 0 353.260 2.813 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001279128886 1042910671 /nfs/dbraw/zinc/91/06/71/1042910671.db2.gz RVMITYDXXDNFNU-AEFFLSMTSA-N 1 0 362.514 2.816 20 10 FFCDRO Cc1ncsc1CN1CC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001279141884 1042916096 /nfs/dbraw/zinc/91/60/96/1042916096.db2.gz JNTKSDURPGSYLL-UHFFFAOYSA-N 1 0 359.495 2.961 20 10 FFCDRO Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)ccc2O)n(C)n1 ZINC001279197074 1042942043 /nfs/dbraw/zinc/94/20/43/1042942043.db2.gz IPYKGSQXKAEDGV-AYHJJNSGSA-N 1 0 358.461 2.858 20 10 FFCDRO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279229796 1042956236 /nfs/dbraw/zinc/95/62/36/1042956236.db2.gz CHNWQUFJVSEGLF-ICSRJNTNSA-N 1 0 356.514 2.911 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)c1O ZINC001279233321 1042957437 /nfs/dbraw/zinc/95/74/37/1042957437.db2.gz OLVXZIZASGGIOK-UHFFFAOYSA-N 1 0 356.491 2.957 20 10 FFCDRO COc1cc(CN2CC3(C2)C[NH+](CCCC(F)(F)F)C3)c(O)cc1O ZINC001279300085 1042990005 /nfs/dbraw/zinc/99/00/05/1042990005.db2.gz UMPOBPBLNNDJPK-UHFFFAOYSA-N 1 0 360.376 2.567 20 10 FFCDRO CCn1ccnc1CN1CCC2(C[NH+](Cc3c(C)cc(C)cc3O)C2)C1 ZINC001279432884 1043107595 /nfs/dbraw/zinc/10/75/95/1043107595.db2.gz PDABDAOAKVTWJR-UHFFFAOYSA-N 1 0 354.498 2.933 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237401214 1043141867 /nfs/dbraw/zinc/14/18/67/1043141867.db2.gz CAOOGFHOZFJBFH-SMDDNHRTSA-N 1 0 355.276 2.737 20 10 FFCDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(C(=O)OC)c2)c(O)c1 ZINC001237455552 1043176836 /nfs/dbraw/zinc/17/68/36/1043176836.db2.gz NFARBAXEEAIMER-IBGZPJMESA-N 1 0 370.449 2.724 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001237488472 1043202154 /nfs/dbraw/zinc/20/21/54/1043202154.db2.gz LXCBEVXSDWCLLB-RBUKOAKNSA-N 1 0 353.466 2.571 20 10 FFCDRO O=C(c1ccc(O)c(O)c1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001279524104 1043222736 /nfs/dbraw/zinc/22/27/36/1043222736.db2.gz GRGIVRBZISJATO-BETUJISGSA-N 1 0 350.846 2.983 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1Cl ZINC001279571524 1043274351 /nfs/dbraw/zinc/27/43/51/1043274351.db2.gz KYVPFOJMEIISBK-HOTGVXAUSA-N 1 0 362.861 2.626 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c(O)c(OC)c1 ZINC001237683694 1043309882 /nfs/dbraw/zinc/30/98/82/1043309882.db2.gz IUQBRYKFXYCZIT-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO Cc1cc(O)c(CN2CC[NH+](CCC(C)(C)O)CC2)cc1Br ZINC001237684150 1043310993 /nfs/dbraw/zinc/31/09/93/1043310993.db2.gz HLLUZTJBYAIEKJ-UHFFFAOYSA-N 1 0 371.319 2.742 20 10 FFCDRO Cc1cc(O)c(CN2CCO[C@H](C[NH+]3CCCC3)C2)cc1Br ZINC001237684512 1043311454 /nfs/dbraw/zinc/31/14/54/1043311454.db2.gz LZZBEJFKGKMNKD-OAHLLOKOSA-N 1 0 369.303 2.760 20 10 FFCDRO Oc1c(I)cccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001237776619 1043350402 /nfs/dbraw/zinc/35/04/02/1043350402.db2.gz BOIUAJAWGZRHOE-CYBMUJFWSA-N 1 0 372.250 2.667 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(Cc2nccn2CC)C3)c(O)c1 ZINC001279664254 1043427678 /nfs/dbraw/zinc/42/76/78/1043427678.db2.gz ZEADDWWWWAYHHJ-UHFFFAOYSA-N 1 0 354.498 2.879 20 10 FFCDRO Cc1cc(F)cc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1O ZINC001238063122 1043508986 /nfs/dbraw/zinc/50/89/86/1043508986.db2.gz XWJZOWIPUFHNMB-PMACEKPBSA-N 1 0 371.456 2.710 20 10 FFCDRO O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001311561976 1043937160 /nfs/dbraw/zinc/93/71/60/1043937160.db2.gz BLADCHBIACQAJH-MRXNPFEDSA-N 1 0 357.429 2.995 20 10 FFCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C2)C1 ZINC001279955814 1043980493 /nfs/dbraw/zinc/98/04/93/1043980493.db2.gz KXAKQAHDQGAXCQ-NRFANRHFSA-N 1 0 358.482 2.873 20 10 FFCDRO C[C@H]1CN(C(=O)C23CC([NH2+]Cc4cc(Cl)ccc4O)(C2)C3)C[C@H](C)O1 ZINC001279983384 1044033088 /nfs/dbraw/zinc/03/30/88/1044033088.db2.gz JBSAQHYXYOXOOM-IJKBLAIYSA-N 1 0 364.873 2.694 20 10 FFCDRO COc1ccc(NC(=S)NCC[NH3+])c(C(=O)c2ccc(Cl)cc2)c1 ZINC001239341744 1044101739 /nfs/dbraw/zinc/10/17/39/1044101739.db2.gz CCSOTYJUZMKIRH-UHFFFAOYSA-N 1 0 363.870 2.825 20 10 FFCDRO CC(C)SCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001312660333 1044151900 /nfs/dbraw/zinc/15/19/00/1044151900.db2.gz HAIINTYWNKRBEE-KRWDZBQOSA-N 1 0 352.548 2.796 20 10 FFCDRO O=C(C1=CC2(CC1)CC[NH+](Cc1cc(O)ccc1O)CC2)N1CC=CC1 ZINC001280098257 1044202141 /nfs/dbraw/zinc/20/21/41/1044202141.db2.gz MNYUHELUBGBTKJ-UHFFFAOYSA-N 1 0 354.450 2.799 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC34CC4)cc2)CC1 ZINC001313103736 1044237037 /nfs/dbraw/zinc/23/70/37/1044237037.db2.gz ALQIAGQBVCVNER-GOSISDBHSA-N 1 0 356.514 2.818 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(F)(C4CC4)C3)C2)c1O ZINC001280349687 1044639640 /nfs/dbraw/zinc/63/96/40/1044639640.db2.gz PVMNOWSZJUWEAX-OXQOHEQNSA-N 1 0 358.457 2.791 20 10 FFCDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318664629 1044798122 /nfs/dbraw/zinc/79/81/22/1044798122.db2.gz ZLWNHQPBIWFYJQ-FQEVSTJZSA-N 1 0 351.510 2.854 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1O ZINC001319825944 1045280063 /nfs/dbraw/zinc/28/00/63/1045280063.db2.gz HBYRDEYWIYSARR-LBPRGKRZSA-N 1 0 367.287 2.954 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001318408559 1045293090 /nfs/dbraw/zinc/29/30/90/1045293090.db2.gz COTBDZRWOJRGSK-WOJBJXKFSA-N 1 0 374.529 2.836 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3Cc4ccc([N+](=O)[O-])cc4C3)cc2)CC1 ZINC001319933989 1045306806 /nfs/dbraw/zinc/30/68/06/1045306806.db2.gz ASQVYHBYDAYDNH-UHFFFAOYSA-N 1 0 352.438 2.862 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccc4c[nH]nc4c3)cc2F)CC1 ZINC001323360923 1045560242 /nfs/dbraw/zinc/56/02/42/1045560242.db2.gz CURUEYUCOUJZJF-UHFFFAOYSA-N 1 0 367.472 2.786 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])c(C)n3)cc2F)CC1 ZINC001324717463 1046183932 /nfs/dbraw/zinc/18/39/32/1046183932.db2.gz YPWRNVKWOIAGGB-UHFFFAOYSA-N 1 0 374.420 2.586 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)C2)cc1 ZINC001325898063 1046679413 /nfs/dbraw/zinc/67/94/13/1046679413.db2.gz ZAMMLQBPCVYPAT-NSISKUIASA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331387517 1047907950 /nfs/dbraw/zinc/90/79/50/1047907950.db2.gz MMTHYAHWIBOJMB-XLIONFOSSA-N 1 0 358.530 2.872 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cc2F)CC1 ZINC001331397781 1047913659 /nfs/dbraw/zinc/91/36/59/1047913659.db2.gz FLLARMMAIKDCNV-KNQAVFIVSA-N 1 0 369.484 2.885 20 10 FFCDRO Cc1cc(C(=O)N2CCc3sc(C[NH3+])nc3C2)c(C)n1-c1ccccn1 ZINC001331404414 1047916394 /nfs/dbraw/zinc/91/63/94/1047916394.db2.gz MCXFIZYNBHHLIX-UHFFFAOYSA-N 1 0 367.478 2.603 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(Br)cc2O)CC1 ZINC001328208368 1048225903 /nfs/dbraw/zinc/22/59/03/1048225903.db2.gz GJJSSVKDWHMTIV-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO CN1CCN(c2ccc(CNc3ccc4c(c3)OCC[NH2+]C4)cc2F)CC1 ZINC001330167549 1049065871 /nfs/dbraw/zinc/06/58/71/1049065871.db2.gz DMAYANLBTNPSQJ-UHFFFAOYSA-N 1 0 370.472 2.672 20 10 FFCDRO C[C@H](NC(=O)NCc1ccccc1N1CC[NH+](C)CC1)c1ccccc1O ZINC001330633234 1049242143 /nfs/dbraw/zinc/24/21/43/1049242143.db2.gz WXGTXFVCFYAVND-INIZCTEOSA-N 1 0 368.481 2.704 20 10 FFCDRO O=C(COC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001294860212 1049821451 /nfs/dbraw/zinc/82/14/51/1049821451.db2.gz SFIJYPDJANXRCR-GFCCVEGCSA-N 1 0 366.767 2.663 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001295275180 1049913077 /nfs/dbraw/zinc/91/30/77/1049913077.db2.gz JFTRIPOHVNEROO-HXUWFJFHSA-N 1 0 357.498 2.751 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3C[NH2+]CCC34CCC4)CC2)cc1 ZINC001341586588 1050213939 /nfs/dbraw/zinc/21/39/39/1050213939.db2.gz YGHUAZKAGSTYFL-LJQANCHMSA-N 1 0 357.498 2.560 20 10 FFCDRO C[C@@H](NC(=O)c1ccc(CC[NH3+])cc1)c1ccc(N2CCOCC2)cc1 ZINC001341677348 1050298962 /nfs/dbraw/zinc/29/89/62/1050298962.db2.gz LYOKPOLBIDDBGP-MRXNPFEDSA-N 1 0 353.466 2.515 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001340881159 1051213791 /nfs/dbraw/zinc/21/37/91/1051213791.db2.gz QZWAMJJZWUWPJL-WRFANHODSA-N 1 0 365.424 2.514 20 10 FFCDRO CS[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH+]1CCCC1 ZINC001341075324 1051419793 /nfs/dbraw/zinc/41/97/93/1051419793.db2.gz CYDLIHHJJVMOHB-UXHICEINSA-N 1 0 361.555 2.535 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2F)CC1 ZINC001343057732 1051674766 /nfs/dbraw/zinc/67/47/66/1051674766.db2.gz IVWKCOJJBYHWJH-UHFFFAOYSA-N 1 0 371.456 2.639 20 10 FFCDRO Cc1c(N)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1F ZINC001304767472 1051690664 /nfs/dbraw/zinc/69/06/64/1051690664.db2.gz HNLNADBQURFMBB-GOSISDBHSA-N 1 0 358.461 2.815 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000751234714 1052186895 /nfs/dbraw/zinc/18/68/95/1052186895.db2.gz TWVIGDMWICYDHK-FYUFSVPTSA-N 1 0 359.426 2.844 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](CO)c3cccc(F)c3)cc2F)CC1 ZINC001308263771 1052439498 /nfs/dbraw/zinc/43/94/98/1052439498.db2.gz VGKOFDICXQGUCX-IBGZPJMESA-N 1 0 361.436 2.540 20 10 FFCDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001308590347 1052473945 /nfs/dbraw/zinc/47/39/45/1052473945.db2.gz TVDVGCLUVSNPMG-LLVKDONJSA-N 1 0 354.859 2.886 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)C2)cc1 ZINC001347318379 1053834189 /nfs/dbraw/zinc/83/41/89/1053834189.db2.gz UTZPHFOLLGWBAX-VXIBKDFQSA-N 1 0 357.498 2.511 20 10 FFCDRO CC[C@@H](C)n1nccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001347351172 1053877916 /nfs/dbraw/zinc/87/79/16/1053877916.db2.gz HNIOUIAKGJQMTP-BEFAXECRSA-N 1 0 357.502 2.953 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001336996857 1054398920 /nfs/dbraw/zinc/39/89/20/1054398920.db2.gz AVIYEWCNOZHTMB-RISCZKNCSA-N 1 0 370.291 2.814 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([C@]3(C)NC(=O)NC3=O)c2)c(O)c1C ZINC001337784317 1055016014 /nfs/dbraw/zinc/01/60/14/1055016014.db2.gz ARMYZRPOFXBGDD-SZNDQCEHSA-N 1 0 367.449 2.914 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001337892070 1055086516 /nfs/dbraw/zinc/08/65/16/1055086516.db2.gz BDDXKPJRWQOKPV-NRFANRHFSA-N 1 0 356.514 2.962 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[NH+](C)C)cc1 ZINC001352075808 1055171884 /nfs/dbraw/zinc/17/18/84/1055171884.db2.gz BRZSGXAGSGDDLB-ORQFMDKSSA-N 1 0 366.456 2.698 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccn4c(C)cnc4c3)CC2)cc1 ZINC000847286135 1055385665 /nfs/dbraw/zinc/38/56/65/1055385665.db2.gz GGUCUQKGHMLVCW-UHFFFAOYSA-N 1 0 350.422 2.614 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC001349649302 1055388596 /nfs/dbraw/zinc/38/85/96/1055388596.db2.gz SUQFACAAVXGMDS-FQEVSTJZSA-N 1 0 360.498 2.936 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1ccccc1 ZINC001200365690 1056488787 /nfs/dbraw/zinc/48/87/87/1056488787.db2.gz NEBSCHZAOAEYFC-INIZCTEOSA-N 1 0 370.472 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](Cc3ccc(Cl)cc3)C(N)=O)C2)cc1 ZINC000849323473 1056828001 /nfs/dbraw/zinc/82/80/01/1056828001.db2.gz YJMMAXGSGCDVMA-APWZRJJASA-N 1 0 373.884 2.614 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC001444269424 1058290259 /nfs/dbraw/zinc/29/02/59/1058290259.db2.gz VYDAGPJMJMKSFF-UHFFFAOYSA-N 1 0 366.425 2.638 20 10 FFCDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccn1 ZINC000848519983 1060210235 /nfs/dbraw/zinc/21/02/35/1060210235.db2.gz GUOHPMCZSXXHPZ-CRAIPNDOSA-N 1 0 368.481 2.643 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H]3CCCn4ccnc43)cc2F)CC1 ZINC000848529787 1060226448 /nfs/dbraw/zinc/22/64/48/1060226448.db2.gz ZUYSLLJUCDVNMU-GOSISDBHSA-N 1 0 357.477 2.789 20 10 FFCDRO CNc1nc(C)ccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001456931880 1060231591 /nfs/dbraw/zinc/23/15/91/1060231591.db2.gz KUGAIBTZACPJJO-GOSISDBHSA-N 1 0 355.486 2.530 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncc(Cl)s2)[NH+](C)C)cc1 ZINC001456936216 1060232232 /nfs/dbraw/zinc/23/22/32/1060232232.db2.gz RXZWSDXAYUGCCZ-CYBMUJFWSA-N 1 0 352.891 2.895 20 10 FFCDRO CC(C)Cn1c(C2SC=CC2=O)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001517460558 1060510694 /nfs/dbraw/zinc/51/06/94/1060510694.db2.gz QIELAIUDVBAMOU-SCLBCKFNSA-N 1 0 361.515 2.756 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2ccc3c(c2)CCCO3)cc(OC)c1 ZINC001461263825 1061271385 /nfs/dbraw/zinc/27/13/85/1061271385.db2.gz PYJUHUNUBZVPMF-GOSISDBHSA-N 1 0 371.477 2.970 20 10 FFCDRO CC[C@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC)[C@@H](O)C(C)C ZINC001462345514 1061589627 /nfs/dbraw/zinc/58/96/27/1061589627.db2.gz CQQZLAFSXHHPBV-YJBOKZPZSA-N 1 0 350.434 2.989 20 10 FFCDRO COc1cc(C)c(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001462569487 1061675260 /nfs/dbraw/zinc/67/52/60/1061675260.db2.gz XPHQJNDZDVTCBC-OSYLJGHBSA-N 1 0 362.470 2.912 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)o1 ZINC000775671780 1062141589 /nfs/dbraw/zinc/14/15/89/1062141589.db2.gz ARVLBNDBMYSJDO-SFHVURJKSA-N 1 0 355.486 2.509 20 10 FFCDRO CO[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465952152 1063277570 /nfs/dbraw/zinc/27/75/70/1063277570.db2.gz WJRDROLIQLUAOG-JFIYKMOQSA-N 1 0 366.889 2.941 20 10 FFCDRO Cc1ccccc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001468071130 1063922189 /nfs/dbraw/zinc/92/21/89/1063922189.db2.gz FFQAMVMXPNRIMK-UHFFFAOYSA-N 1 0 352.482 2.746 20 10 FFCDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471192448 1064596410 /nfs/dbraw/zinc/59/64/10/1064596410.db2.gz YYAJHCYGPWZXQT-LQJIQPLVSA-N 1 0 356.514 2.530 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001473970723 1065429343 /nfs/dbraw/zinc/42/93/43/1065429343.db2.gz ZLDMBYZNYHOFAV-FQEVSTJZSA-N 1 0 360.546 2.565 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001473998499 1065437767 /nfs/dbraw/zinc/43/77/67/1065437767.db2.gz IZZYKSGPTVOJCI-CQSZACIVSA-N 1 0 352.438 2.956 20 10 FFCDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001474333503 1065496077 /nfs/dbraw/zinc/49/60/77/1065496077.db2.gz NCGGEJSMUAMDJY-GJZGRUSLSA-N 1 0 353.457 2.661 20 10 FFCDRO COC(=O)COc1ccccc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC001474421089 1065515879 /nfs/dbraw/zinc/51/58/79/1065515879.db2.gz FDBCFWZWDKEZEQ-UHFFFAOYSA-N 1 0 372.465 2.815 20 10 FFCDRO COc1ccc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)c(O)c1OC ZINC001474575119 1065554659 /nfs/dbraw/zinc/55/46/59/1065554659.db2.gz BEBYLQOEEUKDSM-UHFFFAOYSA-N 1 0 372.421 2.520 20 10 FFCDRO Cc1cc2c(cc1Br)N(C(=O)C1=CC[C@@H]([NH3+])C1)C[C@H](C)O2 ZINC001579643775 1078653584 /nfs/dbraw/zinc/65/35/84/1078653584.db2.gz IWMMVPSWOONSMK-CMPLNLGQSA-N 1 0 351.244 2.919 20 10 FFCDRO CCc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1C ZINC001558723536 1076063818 /nfs/dbraw/zinc/06/38/18/1076063818.db2.gz QNDIZUMYGUYKPK-IBGZPJMESA-N 1 0 370.497 2.757 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1OC ZINC001560704101 1076293039 /nfs/dbraw/zinc/29/30/39/1076293039.db2.gz XGHMZNYVQMFTOY-UHFFFAOYSA-N 1 0 358.394 2.656 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)CC[NH+](C)C)CCCC1 ZINC001565611017 1076746362 /nfs/dbraw/zinc/74/63/62/1076746362.db2.gz QNFPPKHVJZVLHQ-OAHLLOKOSA-N 1 0 357.498 2.985 20 10 FFCDRO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC001566154647 1076925765 /nfs/dbraw/zinc/92/57/65/1076925765.db2.gz FKXMAGLISXDWFB-AWEZNQCLSA-N 1 0 367.440 2.715 20 10 FFCDRO CCC(C)(C)[C@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001566433933 1076960537 /nfs/dbraw/zinc/96/05/37/1076960537.db2.gz AFQDWNOOJJMMPT-HXUWFJFHSA-N 1 0 373.541 2.632 20 10 FFCDRO C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841076298 747264146 /nfs/dbraw/zinc/26/41/46/747264146.db2.gz CWLFPVCGRIIWMP-BQBZGAKWSA-N 1 0 352.070 2.743 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(O)c1 ZINC000369081616 512219826 /nfs/dbraw/zinc/21/98/26/512219826.db2.gz CCWXUZJYDIKWJI-IEBWSBKVSA-N 1 0 355.438 2.645 20 10 FFCDRO O=C(NCCC[NH2+]C1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786661 506622227 /nfs/dbraw/zinc/62/22/27/506622227.db2.gz JAPQUTMJRPWPOW-UHFFFAOYSA-N 1 0 374.529 2.635 20 10 FFCDRO O=c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2sccn21 ZINC000070976265 507672783 /nfs/dbraw/zinc/67/27/83/507672783.db2.gz WVKDIBJCVOZBDH-INIZCTEOSA-N 1 0 371.462 2.643 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000090017754 507902466 /nfs/dbraw/zinc/90/24/66/507902466.db2.gz ZZJKGZHORDOXSW-UZLBHIALSA-N 1 0 367.497 2.867 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000090116565 507909860 /nfs/dbraw/zinc/90/98/60/507909860.db2.gz XPGNFRSXUAJAFG-CRAIPNDOSA-N 1 0 355.486 2.722 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1O ZINC000073981043 507973942 /nfs/dbraw/zinc/97/39/42/507973942.db2.gz RSNUYTDTUZWHQX-MRXNPFEDSA-N 1 0 373.453 2.939 20 10 FFCDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2O)CN1 ZINC000092104565 508044018 /nfs/dbraw/zinc/04/40/18/508044018.db2.gz OISSWTBCTBLCKM-BXUZGUMPSA-N 1 0 353.260 2.645 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnc4ccccn43)C1)OCO2 ZINC000121787701 508418564 /nfs/dbraw/zinc/41/85/64/508418564.db2.gz VJNYTLBBZGROMB-ZDUSSCGKSA-N 1 0 352.394 2.543 20 10 FFCDRO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153096752 508547536 /nfs/dbraw/zinc/54/75/36/508547536.db2.gz VJQUJDKGEKWGTB-GOSISDBHSA-N 1 0 359.514 2.602 20 10 FFCDRO CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158104859 508658159 /nfs/dbraw/zinc/65/81/59/508658159.db2.gz PFOWIDBJEJGQTH-MRXNPFEDSA-N 1 0 362.861 2.656 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466134 512419287 /nfs/dbraw/zinc/41/92/87/512419287.db2.gz LPTWTFWYRMZGSM-GOSISDBHSA-N 1 0 367.497 2.898 20 10 FFCDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000130733073 508837852 /nfs/dbraw/zinc/83/78/52/508837852.db2.gz OXNWYPNVGWCDEN-LJQANCHMSA-N 1 0 369.513 2.888 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264377082 509491497 /nfs/dbraw/zinc/49/14/97/509491497.db2.gz FMJIEQUPNZWZFS-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1cccc(F)c1)cc2=O ZINC000179569700 509517636 /nfs/dbraw/zinc/51/76/36/509517636.db2.gz ABHYNFPYYLRWRU-UHFFFAOYSA-N 1 0 372.400 2.776 20 10 FFCDRO COc1ccccc1[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCC1 ZINC000237257779 509604248 /nfs/dbraw/zinc/60/42/48/509604248.db2.gz MCQGNQQBWQKYPJ-IBGZPJMESA-N 1 0 353.466 2.773 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000166651081 509613754 /nfs/dbraw/zinc/61/37/54/509613754.db2.gz KFQHCZNRBSGIRT-PUCZYUMASA-N 1 0 356.441 2.971 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000176992555 509805157 /nfs/dbraw/zinc/80/51/57/509805157.db2.gz ACWZJEWBBBQRDC-UHFFFAOYSA-N 1 0 363.465 2.736 20 10 FFCDRO CCOC1CC(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)(N2CCOCC2)C1 ZINC000193399239 509897656 /nfs/dbraw/zinc/89/76/56/509897656.db2.gz LEXLQUCIDMSBMH-ASFAAARLSA-N 1 0 368.905 2.966 20 10 FFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180525595 509966359 /nfs/dbraw/zinc/96/63/59/509966359.db2.gz RQOYWTXCTSELKV-CYBMUJFWSA-N 1 0 358.276 2.948 20 10 FFCDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000268981127 510174049 /nfs/dbraw/zinc/17/40/49/510174049.db2.gz HRLMDCWJAHDPEO-UQPPLGOBSA-N 1 0 363.477 2.618 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187338821 510204382 /nfs/dbraw/zinc/20/43/82/510204382.db2.gz WCHLKTXKUMHADZ-GHMZBOCLSA-N 1 0 364.305 2.937 20 10 FFCDRO CCn1cc(NC(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cn1 ZINC000171687135 510306831 /nfs/dbraw/zinc/30/68/31/510306831.db2.gz CPXCOMBSOYRKSQ-UHFFFAOYSA-N 1 0 374.464 2.506 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199619 510544534 /nfs/dbraw/zinc/54/45/34/510544534.db2.gz RWYDSPBCUUIELY-CJNGLKHVSA-N 1 0 362.420 2.740 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000191217964 510551853 /nfs/dbraw/zinc/55/18/53/510551853.db2.gz XRLHOVYJBBDOOK-GHMZBOCLSA-N 1 0 370.421 2.990 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2cc(Cl)cc(C)c2O)(N2CCOCC2)C1 ZINC000195090904 510665178 /nfs/dbraw/zinc/66/51/78/510665178.db2.gz XZYYUAGUZNVWPA-UHFFFAOYSA-N 1 0 368.905 2.714 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(O)c1 ZINC000185340958 510813852 /nfs/dbraw/zinc/81/38/52/510813852.db2.gz NHWGOZLHIPOJEB-XLIONFOSSA-N 1 0 368.477 2.821 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185375000 510827433 /nfs/dbraw/zinc/82/74/33/510827433.db2.gz CHWWNOAETPUCNW-NWDGAFQWSA-N 1 0 353.365 2.770 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000297285502 510887202 /nfs/dbraw/zinc/88/72/02/510887202.db2.gz XPOGZGASZROBPV-SFHVURJKSA-N 1 0 360.498 2.887 20 10 FFCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000285478877 510923699 /nfs/dbraw/zinc/92/36/99/510923699.db2.gz OKHAGMDBKISXSB-UHFFFAOYSA-N 1 0 368.403 2.874 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1O ZINC000360775639 510947427 /nfs/dbraw/zinc/94/74/27/510947427.db2.gz JQWBQMJUTHCLGA-SJLPKXTDSA-N 1 0 373.428 2.785 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(O)c1C ZINC000276895503 510948622 /nfs/dbraw/zinc/94/86/22/510948622.db2.gz MTZZSIYYPJFNNI-HNNXBMFYSA-N 1 0 363.479 2.626 20 10 FFCDRO COc1c([O-])c(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000278534972 510997278 /nfs/dbraw/zinc/99/72/78/510997278.db2.gz VXUIHLDCHYSKPM-UHFFFAOYSA-N 1 0 363.389 2.800 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1O ZINC000287238335 511045248 /nfs/dbraw/zinc/04/52/48/511045248.db2.gz YQSVVRGBSMQOKR-QWRGUYRKSA-N 1 0 362.289 2.630 20 10 FFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287457154 511050898 /nfs/dbraw/zinc/05/08/98/511050898.db2.gz NAFCVKXVWNYWMS-FXAWDEMLSA-N 1 0 354.498 2.831 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1O ZINC000288143493 511065557 /nfs/dbraw/zinc/06/55/57/511065557.db2.gz NJBHRPNWGJGOTB-RDTXWAMCSA-N 1 0 357.454 2.891 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000288484122 511077316 /nfs/dbraw/zinc/07/73/16/511077316.db2.gz GRPGFTWYEAIONK-BBRMVZONSA-N 1 0 350.212 2.739 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc21 ZINC000289669939 511108845 /nfs/dbraw/zinc/10/88/45/511108845.db2.gz AFVYCCIQBABADW-QZTJIDSGSA-N 1 0 355.482 2.586 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C)ccc3O)C2=O)c(OC)c1 ZINC000290206212 511130667 /nfs/dbraw/zinc/13/06/67/511130667.db2.gz VFXZGDYKWWYYKS-GOSISDBHSA-N 1 0 370.449 2.609 20 10 FFCDRO Cc1cc(Br)cc(CN2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000364881732 511131314 /nfs/dbraw/zinc/13/13/14/511131314.db2.gz AREXGUPFCQNPRX-HNNXBMFYSA-N 1 0 355.232 2.538 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1 ZINC000294698626 511147035 /nfs/dbraw/zinc/14/70/35/511147035.db2.gz APPCDSKDJHTXOI-IBGZPJMESA-N 1 0 358.555 2.720 20 10 FFCDRO Cc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)n1-c1ccccn1 ZINC000290731662 511150728 /nfs/dbraw/zinc/15/07/28/511150728.db2.gz XJDGEZZYLBUCSG-GOSISDBHSA-N 1 0 352.482 2.951 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C(F)F)n1 ZINC000291165803 511161320 /nfs/dbraw/zinc/16/13/20/511161320.db2.gz JAJDCCGSCAODLT-UHFFFAOYSA-N 1 0 364.440 2.856 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CC2(OCCOC)CCOCC2)cc1F ZINC000294831174 511191711 /nfs/dbraw/zinc/19/17/11/511191711.db2.gz PYTCJQRKYOXERF-UHFFFAOYSA-N 1 0 368.493 2.974 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(C)c2)c1 ZINC000271491117 511223265 /nfs/dbraw/zinc/22/32/65/511223265.db2.gz LVEOUPQCERKPHK-HNNXBMFYSA-N 1 0 361.511 2.820 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000273440005 511525770 /nfs/dbraw/zinc/52/57/70/511525770.db2.gz MQMYYZXICPLBIT-NSHDSACASA-N 1 0 368.386 2.564 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Br)ccc1O ZINC000295853555 511535940 /nfs/dbraw/zinc/53/59/40/511535940.db2.gz DZSCWWCHBHHOEC-HNNXBMFYSA-N 1 0 357.292 2.652 20 10 FFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000295875040 511542867 /nfs/dbraw/zinc/54/28/67/511542867.db2.gz HHZJBJHCFPKMGM-OAQYLSRUSA-N 1 0 356.514 2.906 20 10 FFCDRO COCC[NH+]1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000299266603 511571943 /nfs/dbraw/zinc/57/19/43/511571943.db2.gz XUUJVXIXPNDNPG-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)CC1 ZINC000296039919 511599204 /nfs/dbraw/zinc/59/92/04/511599204.db2.gz QPROFBVHALVQJV-IBGZPJMESA-N 1 0 365.477 2.557 20 10 FFCDRO CCC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccccc1O ZINC000299651867 511665502 /nfs/dbraw/zinc/66/55/02/511665502.db2.gz OUULAVPJNXZHTD-UHFFFAOYSA-N 1 0 369.465 2.993 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCOC1 ZINC000280976940 511674722 /nfs/dbraw/zinc/67/47/22/511674722.db2.gz VVBPIRGCGKBLBK-OALUTQOASA-N 1 0 357.450 2.706 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn(CC(F)F)c3)cc2F)CC1 ZINC000292887196 511758960 /nfs/dbraw/zinc/75/89/60/511758960.db2.gz DFGJAJMNBYDGLW-UHFFFAOYSA-N 1 0 368.403 2.538 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](CC)c2ccc(C)cc2O)CC1 ZINC000296534007 511784776 /nfs/dbraw/zinc/78/47/76/511784776.db2.gz QPORTPWXINMQPF-CPJLOUKISA-N 1 0 367.511 2.928 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC(=O)NCC(F)F)cc1 ZINC000296680942 511850935 /nfs/dbraw/zinc/85/09/35/511850935.db2.gz GVBSUQAIBFFXLS-UHFFFAOYSA-N 1 0 353.438 2.855 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)c(O)c1 ZINC000284811128 511880165 /nfs/dbraw/zinc/88/01/65/511880165.db2.gz LJMUGOVRZBFSRD-AVBTWRTFSA-N 1 0 368.481 2.979 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3ncc(Cl)n3C)cc2F)CC1 ZINC000281585570 511900470 /nfs/dbraw/zinc/90/04/70/511900470.db2.gz DRZAAPKLZFETPO-UHFFFAOYSA-N 1 0 365.884 2.644 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274873654 511971876 /nfs/dbraw/zinc/97/18/76/511971876.db2.gz GFXNPXBOVWTGNX-UKRRQHHQSA-N 1 0 354.248 2.663 20 10 FFCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)ccc1O ZINC000274970400 512002937 /nfs/dbraw/zinc/00/29/37/512002937.db2.gz YCPJUSIVDCGTNH-GFCCVEGCSA-N 1 0 351.248 2.933 20 10 FFCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000297120874 512027457 /nfs/dbraw/zinc/02/74/57/512027457.db2.gz YNEPZUWGTCYHMZ-ZWKOTPCHSA-N 1 0 351.450 2.941 20 10 FFCDRO CC[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)ccc1O ZINC000293618143 512028214 /nfs/dbraw/zinc/02/82/14/512028214.db2.gz FNSQPKQMAPBWLL-AWEZNQCLSA-N 1 0 353.264 2.957 20 10 FFCDRO OCc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000293639204 512035897 /nfs/dbraw/zinc/03/58/97/512035897.db2.gz LZTLXFLTILVKML-FQEVSTJZSA-N 1 0 355.486 2.598 20 10 FFCDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1)N1CCCCC1 ZINC000376003691 512610936 /nfs/dbraw/zinc/61/09/36/512610936.db2.gz NTALZADOJLGVFR-UXHICEINSA-N 1 0 371.525 2.794 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000367699254 512622108 /nfs/dbraw/zinc/62/21/08/512622108.db2.gz GYPSBEYTJABMJT-NSHDSACASA-N 1 0 366.259 2.886 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374668834 512946106 /nfs/dbraw/zinc/94/61/06/512946106.db2.gz JYGRDWZHKVLGQD-QZTJIDSGSA-N 1 0 361.486 2.567 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCO2)C1 ZINC000435656838 513649713 /nfs/dbraw/zinc/64/97/13/513649713.db2.gz RZHVLOXQXCFYDE-INIZCTEOSA-N 1 0 355.482 2.703 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN(C)C[C@H]2C)C1 ZINC000444231399 514162683 /nfs/dbraw/zinc/16/26/83/514162683.db2.gz DPZFZAAMKPKWED-QGZVFWFLSA-N 1 0 368.525 2.570 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCN(C)C[C@@H]2C)C1 ZINC000444231398 514162759 /nfs/dbraw/zinc/16/27/59/514162759.db2.gz DPZFZAAMKPKWED-KRWDZBQOSA-N 1 0 368.525 2.570 20 10 FFCDRO O=C(c1cn[nH]c1[C@H]1CCC[NH2+]C1)N1CC2(CCOCC2)c2ccccc21 ZINC000423785405 514227347 /nfs/dbraw/zinc/22/73/47/514227347.db2.gz TXFBQZGJIOEACE-HNNXBMFYSA-N 1 0 366.465 2.585 20 10 FFCDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)[C@@H](C)CO ZINC000513453004 516629472 /nfs/dbraw/zinc/62/94/72/516629472.db2.gz QJYFYVMWMDMYTI-INIZCTEOSA-N 1 0 357.498 2.637 20 10 FFCDRO CCOC1CN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000565914855 519195645 /nfs/dbraw/zinc/19/56/45/519195645.db2.gz ULWKOFYITONZLV-UHFFFAOYSA-N 1 0 355.482 2.655 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C[C@@H]1CCCO1 ZINC000826511371 608498647 /nfs/dbraw/zinc/49/86/47/608498647.db2.gz MWASNTIZJPPQAE-AWEZNQCLSA-N 1 0 371.466 2.815 20 10 FFCDRO Oc1ccccc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511356 608873142 /nfs/dbraw/zinc/87/31/42/608873142.db2.gz MIQURPYSIDJBSD-UHFFFAOYSA-N 1 0 351.410 2.616 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000154919395 728815774 /nfs/dbraw/zinc/81/57/74/728815774.db2.gz IRKWBRRBDSMSJL-LJQANCHMSA-N 1 0 367.559 2.998 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1F ZINC000155753391 728835697 /nfs/dbraw/zinc/83/56/97/728835697.db2.gz WDPBXKDORFPEFA-OAHLLOKOSA-N 1 0 353.507 2.725 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]Cc2ccc(CCO)cc2)c1O ZINC000898172310 735321784 /nfs/dbraw/zinc/32/17/84/735321784.db2.gz AXOKCVBOKOFCJX-UHFFFAOYSA-N 1 0 366.255 2.988 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898282366 735335871 /nfs/dbraw/zinc/33/58/71/735335871.db2.gz BSBUKILMQLYWHV-UHFFFAOYSA-N 1 0 361.511 2.747 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CSc2ncc(-c3ccccc3)n2C)CC1 ZINC000010089062 727803954 /nfs/dbraw/zinc/80/39/54/727803954.db2.gz GEXALISHYTUDMJ-UHFFFAOYSA-N 1 0 358.511 2.780 20 10 FFCDRO C[C@@H]([NH2+]CCCSc1nccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000091343503 728459387 /nfs/dbraw/zinc/45/93/87/728459387.db2.gz WMJZAPSEFAFIOJ-LLVKDONJSA-N 1 0 357.526 2.624 20 10 FFCDRO CS[C@@H](C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092010731 728463843 /nfs/dbraw/zinc/46/38/43/728463843.db2.gz RIWHSKXMWOAXCE-INIZCTEOSA-N 1 0 361.555 2.976 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000129844058 728713552 /nfs/dbraw/zinc/71/35/52/728713552.db2.gz QIKJYNDELDYQSZ-PBHICJAKSA-N 1 0 368.905 2.615 20 10 FFCDRO COCC[NH+]1CCC(NC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000138637006 728740795 /nfs/dbraw/zinc/74/07/95/728740795.db2.gz UQCIHOVZMQPZMA-UHFFFAOYSA-N 1 0 361.511 2.996 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)SC)cc2F)CC1 ZINC000163823088 728961380 /nfs/dbraw/zinc/96/13/80/728961380.db2.gz UTQYKSQTOYBWFG-AWEZNQCLSA-N 1 0 368.522 2.518 20 10 FFCDRO CC[N@H+](CC(=O)N(C)CC1CC1)Cc1cc(Br)ccc1O ZINC000174425116 729071843 /nfs/dbraw/zinc/07/18/43/729071843.db2.gz NTYHHMJYNARXDS-UHFFFAOYSA-N 1 0 355.276 2.845 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccccc2O)c(C)s1 ZINC000183623040 729308848 /nfs/dbraw/zinc/30/88/48/729308848.db2.gz XDJPXLDMEWAHGK-LBPRGKRZSA-N 1 0 354.497 2.700 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761208147 736707874 /nfs/dbraw/zinc/70/78/74/736707874.db2.gz YUJBBBLXMYAGRK-LBPRGKRZSA-N 1 0 353.850 2.540 20 10 FFCDRO FC(F)CN1CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000857784170 730410313 /nfs/dbraw/zinc/41/03/13/730410313.db2.gz AMMIYDCLVLMXGX-UHFFFAOYSA-N 1 0 353.457 2.590 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]CCc1nnc2n1CCCCC2 ZINC000858092856 730416257 /nfs/dbraw/zinc/41/62/57/730416257.db2.gz LDTYMMUQFXCMHK-UHFFFAOYSA-N 1 0 365.275 2.805 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000858095965 730416441 /nfs/dbraw/zinc/41/64/41/730416441.db2.gz SOGFQTADIYWVRO-GFCCVEGCSA-N 1 0 352.228 2.684 20 10 FFCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c2c1c(F)ccc2O ZINC000858499123 730427330 /nfs/dbraw/zinc/42/73/30/730427330.db2.gz YJJXIYRJQWNEJB-ASEORRQLSA-N 1 0 356.463 2.530 20 10 FFCDRO COC1CC(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000860242427 730493274 /nfs/dbraw/zinc/49/32/74/730493274.db2.gz QTRJXABAYMWGMQ-DSSZZKGTSA-N 1 0 352.862 2.551 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1F ZINC000862217364 730677305 /nfs/dbraw/zinc/67/73/05/730677305.db2.gz BHUUCLVGGYTYGQ-MRXNPFEDSA-N 1 0 353.457 2.718 20 10 FFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862248957 730681700 /nfs/dbraw/zinc/68/17/00/730681700.db2.gz VBRNJYGXONJXGO-CVEARBPZSA-N 1 0 370.287 2.907 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000862385021 730695183 /nfs/dbraw/zinc/69/51/83/730695183.db2.gz NUPHIGMQBACICD-JMSVASOKSA-N 1 0 356.260 2.517 20 10 FFCDRO Brc1cc(C[NH2+]C[C@@H]2COCCN2)ccc1N1CCCCC1 ZINC000863649730 730798957 /nfs/dbraw/zinc/79/89/57/730798957.db2.gz HBEAPFWNDCIEKY-OAHLLOKOSA-N 1 0 368.319 2.517 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000865695475 730987096 /nfs/dbraw/zinc/98/70/96/730987096.db2.gz ZRARJCCWTRPRJQ-GBWOHCMXSA-N 1 0 354.244 2.676 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1 ZINC000866493772 731066819 /nfs/dbraw/zinc/06/68/19/731066819.db2.gz ZKBABIHFBNWHKD-QRTARXTBSA-N 1 0 350.459 2.722 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1[O-] ZINC000925851261 738536897 /nfs/dbraw/zinc/53/68/97/738536897.db2.gz RCLKVERNOFYSCN-IUODEOHRSA-N 1 0 352.862 2.772 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872795796 731832411 /nfs/dbraw/zinc/83/24/11/731832411.db2.gz NZGNEHSTVUCHOZ-UKRRQHHQSA-N 1 0 367.511 2.565 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)cc1Cn1cccn1 ZINC000873112421 731876119 /nfs/dbraw/zinc/87/61/19/731876119.db2.gz BRORWQWUXULGSO-MRXNPFEDSA-N 1 0 357.376 2.997 20 10 FFCDRO CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000875179810 732133591 /nfs/dbraw/zinc/13/35/91/732133591.db2.gz GQTTUQGLHQHIKG-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO Cc1cc(C(=O)NCC2([NH3+])CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000877013485 732312012 /nfs/dbraw/zinc/31/20/12/732312012.db2.gz ALWZIXGQTMVKDK-UHFFFAOYSA-N 1 0 361.873 2.985 20 10 FFCDRO Cc1cc(C(=O)N(C)C[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000877104148 732323730 /nfs/dbraw/zinc/32/37/30/732323730.db2.gz COLUNRUHIXAZJX-SNVBAGLBSA-N 1 0 365.275 2.671 20 10 FFCDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927087019 738689462 /nfs/dbraw/zinc/68/94/62/738689462.db2.gz YREUKZWFBWQGQY-GOEBONIOSA-N 1 0 354.878 2.633 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000882880561 733306415 /nfs/dbraw/zinc/30/64/15/733306415.db2.gz YNSJKESSPUKMJS-UHFFFAOYSA-N 1 0 362.275 2.603 20 10 FFCDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3c(O)cccc3Br)O2)CO1 ZINC000886329293 733774268 /nfs/dbraw/zinc/77/42/68/733774268.db2.gz CBAOOPRWDYXLLL-BFQNTYOBSA-N 1 0 356.260 2.971 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ocnc2C(F)F)[NH+](C)C)cc1 ZINC000891247288 734404465 /nfs/dbraw/zinc/40/44/65/734404465.db2.gz SRPSERURDULNCN-ZDUSSCGKSA-N 1 0 352.385 2.711 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891789142 734476715 /nfs/dbraw/zinc/47/67/15/734476715.db2.gz KDIMITFNKPFTIH-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1F ZINC000731402181 734677299 /nfs/dbraw/zinc/67/72/99/734677299.db2.gz UASMLDJOWBUSIC-UHFFFAOYSA-N 1 0 350.482 2.957 20 10 FFCDRO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732049106 734714696 /nfs/dbraw/zinc/71/46/96/734714696.db2.gz OLVGKACQEDGLTG-CQSZACIVSA-N 1 0 362.817 2.847 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893643883 734731483 /nfs/dbraw/zinc/73/14/83/734731483.db2.gz BZLSCFWSGNUDIH-UHFFFAOYSA-N 1 0 354.545 2.941 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@H](OC)C(F)(F)F)c1O ZINC000733330196 734809470 /nfs/dbraw/zinc/80/94/70/734809470.db2.gz RTKQCTGRAZUEKE-JTQLQIEISA-N 1 0 358.154 2.830 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1O ZINC000894549671 734878166 /nfs/dbraw/zinc/87/81/66/734878166.db2.gz BXSVBUDTTJOBRH-CQSZACIVSA-N 1 0 351.393 2.928 20 10 FFCDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)NC(=O)OC(C)(C)C ZINC000894689036 734900853 /nfs/dbraw/zinc/90/08/53/734900853.db2.gz GCRHGBRTOZORAH-ZDUSSCGKSA-N 1 0 354.447 2.802 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1O ZINC000895006762 734950803 /nfs/dbraw/zinc/95/08/03/734950803.db2.gz NSYAARXJTROJNC-CVEARBPZSA-N 1 0 360.841 2.755 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000895334651 734991979 /nfs/dbraw/zinc/99/19/79/734991979.db2.gz QSGSVBGHEJCODT-UHFFFAOYSA-N 1 0 360.479 2.786 20 10 FFCDRO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000740865739 735093265 /nfs/dbraw/zinc/09/32/65/735093265.db2.gz ZAICQHLKYQBUNN-CYBMUJFWSA-N 1 0 363.479 2.884 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)c1 ZINC000896982046 735190557 /nfs/dbraw/zinc/19/05/57/735190557.db2.gz PEGZAKUBYIHZFP-LJQANCHMSA-N 1 0 350.459 2.552 20 10 FFCDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000897518941 735242248 /nfs/dbraw/zinc/24/22/48/735242248.db2.gz OCBYLOUWVNBZTB-HNNXBMFYSA-N 1 0 351.365 2.983 20 10 FFCDRO Cc1ccc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c(O)c1 ZINC000897572425 735249881 /nfs/dbraw/zinc/24/98/81/735249881.db2.gz XZHVNYCBWOWEAG-UHFFFAOYSA-N 1 0 360.479 2.728 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC2)cc1 ZINC000903270920 736069954 /nfs/dbraw/zinc/06/99/54/736069954.db2.gz IYDRXSHOZNOTHP-PMACEKPBSA-N 1 0 361.555 2.833 20 10 FFCDRO O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903327272 736076726 /nfs/dbraw/zinc/07/67/26/736076726.db2.gz ZBPBUQQSIKHFBZ-CHWSQXEVSA-N 1 0 374.238 2.690 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)c(O)c1C ZINC000756447746 736331975 /nfs/dbraw/zinc/33/19/75/736331975.db2.gz YCKVXIIKKPBTNG-MRXNPFEDSA-N 1 0 362.495 2.779 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1O ZINC000757659106 736416776 /nfs/dbraw/zinc/41/67/76/736416776.db2.gz YSDCBOJIKPEKDF-DOMZBBRYSA-N 1 0 362.861 2.621 20 10 FFCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000757920945 736435610 /nfs/dbraw/zinc/43/56/10/736435610.db2.gz UGPJBFYPTCXMLH-HNNXBMFYSA-N 1 0 360.248 2.521 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907758720 736664455 /nfs/dbraw/zinc/66/44/55/736664455.db2.gz SROYDECYMFJCNZ-JSGCOSHPSA-N 1 0 353.260 2.788 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765859372 737167802 /nfs/dbraw/zinc/16/78/02/737167802.db2.gz KERIGWDHTPEIBA-JKSUJKDBSA-N 1 0 367.921 2.548 20 10 FFCDRO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000765906453 737171577 /nfs/dbraw/zinc/17/15/77/737171577.db2.gz DXGRSVSKERPBDQ-NSYGIPOTSA-N 1 0 358.507 2.982 20 10 FFCDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765897974 737171600 /nfs/dbraw/zinc/17/16/00/737171600.db2.gz GDGHUFVMDVDZCF-CVEARBPZSA-N 1 0 368.905 2.880 20 10 FFCDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978845 737179965 /nfs/dbraw/zinc/17/99/65/737179965.db2.gz PZEUIZZUOYMPTR-OAHLLOKOSA-N 1 0 370.584 2.931 20 10 FFCDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000766589686 737245163 /nfs/dbraw/zinc/24/51/63/737245163.db2.gz BLDAKHIWARLYOF-AWEZNQCLSA-N 1 0 361.877 2.729 20 10 FFCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1cc(F)c(F)c(F)c1 ZINC000767710700 737358919 /nfs/dbraw/zinc/35/89/19/737358919.db2.gz HBVOILJZMHMKRS-AWEZNQCLSA-N 1 0 351.368 2.980 20 10 FFCDRO COc1cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(O)cc1C ZINC000768440927 737423035 /nfs/dbraw/zinc/42/30/35/737423035.db2.gz HWUXQQKTMAXDOE-UHFFFAOYSA-N 1 0 360.376 2.600 20 10 FFCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000768596309 737438328 /nfs/dbraw/zinc/43/83/28/737438328.db2.gz FZQYHQKDFDZHSZ-SJLPKXTDSA-N 1 0 350.528 2.837 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1F ZINC000768653080 737445463 /nfs/dbraw/zinc/44/54/63/737445463.db2.gz VBKSUVNQMGMXJH-UHFFFAOYSA-N 1 0 356.507 2.976 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1F ZINC000768780762 737456724 /nfs/dbraw/zinc/45/67/24/737456724.db2.gz ASMUPMZKELZQMQ-UHFFFAOYSA-N 1 0 361.383 2.782 20 10 FFCDRO COc1cc(Br)cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000769326986 737518029 /nfs/dbraw/zinc/51/80/29/737518029.db2.gz SGNRMQGJWSEKJO-AWEZNQCLSA-N 1 0 355.276 2.832 20 10 FFCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769533567 737540190 /nfs/dbraw/zinc/54/01/90/737540190.db2.gz PVISKXPCXVBLBH-SFHVURJKSA-N 1 0 360.479 2.573 20 10 FFCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000769533566 737540200 /nfs/dbraw/zinc/54/02/00/737540200.db2.gz PVISKXPCXVBLBH-GOSISDBHSA-N 1 0 360.479 2.573 20 10 FFCDRO CN1CCN([C@H](C[NH2+]Cc2ccc3c(c2)CCO3)c2cccs2)CC1 ZINC000917392884 737755601 /nfs/dbraw/zinc/75/56/01/737755601.db2.gz RTPPHCQVSMOYBE-GOSISDBHSA-N 1 0 357.523 2.761 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000775501189 738097872 /nfs/dbraw/zinc/09/78/72/738097872.db2.gz CMRFRLSYHWZJNJ-DOMZBBRYSA-N 1 0 357.292 2.916 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)ccc1O ZINC000775525223 738099451 /nfs/dbraw/zinc/09/94/51/738099451.db2.gz FDVSZXSQYDDQLC-GXTWGEPZSA-N 1 0 350.850 2.839 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000817980909 742226491 /nfs/dbraw/zinc/22/64/91/742226491.db2.gz FPYQQJSZWJUXBR-MWLCHTKSSA-N 1 0 363.683 2.837 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000776247155 738174061 /nfs/dbraw/zinc/17/40/61/738174061.db2.gz ADSQMKPJNCGBOF-GFCCVEGCSA-N 1 0 354.244 2.997 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1[O-] ZINC000923455694 738285593 /nfs/dbraw/zinc/28/55/93/738285593.db2.gz MIHHMYNRYNNEAG-OAHLLOKOSA-N 1 0 352.862 2.578 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000788543552 739257087 /nfs/dbraw/zinc/25/70/87/739257087.db2.gz XAHXKRDBQORWKU-FUHWJXTLSA-N 1 0 368.568 2.685 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000794500654 739898596 /nfs/dbraw/zinc/89/85/96/739898596.db2.gz WYNXWMWFWFJQLB-WMLDXEAASA-N 1 0 351.491 2.679 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000796377529 740138120 /nfs/dbraw/zinc/13/81/20/740138120.db2.gz MIMSEWPCTLYQNQ-LRDDRELGSA-N 1 0 352.862 2.543 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c(O)cccc2OC)s1 ZINC000796533609 740150633 /nfs/dbraw/zinc/15/06/33/740150633.db2.gz VVUYRWJKKFLREV-WDEREUQCSA-N 1 0 364.471 2.568 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000797071384 740209153 /nfs/dbraw/zinc/20/91/53/740209153.db2.gz SGKDVZWHFJCWMQ-NXEZZACHSA-N 1 0 362.289 2.771 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000797119705 740214381 /nfs/dbraw/zinc/21/43/81/740214381.db2.gz TZKKBRBDFGSCPX-RHSMWYFYSA-N 1 0 366.527 2.736 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c(O)c1 ZINC000799726300 740445716 /nfs/dbraw/zinc/44/57/16/740445716.db2.gz MXIIXZGJMVKVJU-GFCCVEGCSA-N 1 0 370.421 2.608 20 10 FFCDRO CN(C)c1cc[nH+]cc1C(=O)NCc1cc(Br)ccc1O ZINC000804739681 740901822 /nfs/dbraw/zinc/90/18/22/740901822.db2.gz OHHDNXIBCXJOAE-UHFFFAOYSA-N 1 0 350.216 2.546 20 10 FFCDRO C[C@H](CNC(=O)NCc1cc(Br)ccc1O)[NH+]1CCCCC1 ZINC000805182209 740947936 /nfs/dbraw/zinc/94/79/36/740947936.db2.gz DXFOVCDBGULIFJ-GFCCVEGCSA-N 1 0 370.291 2.828 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000808445359 741226572 /nfs/dbraw/zinc/22/65/72/741226572.db2.gz VZJHYYGMDXEGRP-APHBMKBZSA-N 1 0 367.287 2.891 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1O ZINC000808688551 741252121 /nfs/dbraw/zinc/25/21/21/741252121.db2.gz UAHKNKOTJOJJTR-LBPRGKRZSA-N 1 0 360.907 2.676 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)c1O ZINC000808696392 741252970 /nfs/dbraw/zinc/25/29/70/741252970.db2.gz VNEAWNOESQECEX-AWEZNQCLSA-N 1 0 367.921 2.947 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000809751311 741339822 /nfs/dbraw/zinc/33/98/22/741339822.db2.gz QNCDSMNWVFRCLY-SNVBAGLBSA-N 1 0 358.154 2.518 20 10 FFCDRO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000810258103 741402278 /nfs/dbraw/zinc/40/22/78/741402278.db2.gz ZHJANNIPSQHNCR-CABCVRRESA-N 1 0 356.894 2.879 20 10 FFCDRO Cc1cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)ccc1N(C)C ZINC000815010730 741881768 /nfs/dbraw/zinc/88/17/68/741881768.db2.gz XMSBRTDFBDUESM-UHFFFAOYSA-N 1 0 357.420 2.952 20 10 FFCDRO CNC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000817369866 742131857 /nfs/dbraw/zinc/13/18/57/742131857.db2.gz IFMGVQZUEMSESJ-LBPRGKRZSA-N 1 0 363.255 2.876 20 10 FFCDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817971291 742224908 /nfs/dbraw/zinc/22/49/08/742224908.db2.gz CAKMSAQUAVFENF-BQBZGAKWSA-N 1 0 352.070 2.915 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)c1O ZINC000818351356 742266048 /nfs/dbraw/zinc/26/60/48/742266048.db2.gz RFYMWJGPWNJKNC-LLVKDONJSA-N 1 0 364.305 2.939 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F ZINC000818964332 742316244 /nfs/dbraw/zinc/31/62/44/742316244.db2.gz RTQKBUQCGMOLTH-ZDUSSCGKSA-N 1 0 372.309 2.555 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000818972085 742317732 /nfs/dbraw/zinc/31/77/32/742317732.db2.gz CYRJKRINNIHFPZ-FQEVSTJZSA-N 1 0 360.885 2.870 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000823850826 742990132 /nfs/dbraw/zinc/99/01/32/742990132.db2.gz FEPFMVQNYZYLEY-GPMSIDNRSA-N 1 0 350.528 2.836 20 10 FFCDRO COc1nccnc1C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000823855144 742990605 /nfs/dbraw/zinc/99/06/05/742990605.db2.gz HKYFTLUYJBYALL-HNNXBMFYSA-N 1 0 362.861 2.598 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](O)C(F)F ZINC000824637246 743120667 /nfs/dbraw/zinc/12/06/67/743120667.db2.gz WYPUCYHRHXZMRA-SKDRFNHKSA-N 1 0 354.191 2.658 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824654137 743123547 /nfs/dbraw/zinc/12/35/47/743123547.db2.gz KUKKAHPKHTWYGM-APHBMKBZSA-N 1 0 370.287 2.825 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 ZINC000824820737 743155122 /nfs/dbraw/zinc/15/51/22/743155122.db2.gz LMRWLTVBSQXFOW-LSDHHAIUSA-N 1 0 355.404 2.595 20 10 FFCDRO O=C(N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]2C1)C(F)(F)F ZINC000824827551 743156860 /nfs/dbraw/zinc/15/68/60/743156860.db2.gz FWPZKDRDAKHBOP-PWSUYJOCSA-N 1 0 362.779 2.888 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000825045568 743200272 /nfs/dbraw/zinc/20/02/72/743200272.db2.gz HEOQIKXPSXMJEP-JTQLQIEISA-N 1 0 354.248 2.618 20 10 FFCDRO Cn1nccc1[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825045853 743200842 /nfs/dbraw/zinc/20/08/42/743200842.db2.gz MRQXJWVDAQBFKS-CZUORRHYSA-N 1 0 366.259 2.898 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000825803906 743329357 /nfs/dbraw/zinc/32/93/57/743329357.db2.gz MFSBLPKQPAATFR-CJNGLKHVSA-N 1 0 370.287 2.812 20 10 FFCDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825939843 743346047 /nfs/dbraw/zinc/34/60/47/743346047.db2.gz IEZFNENWENORFU-CYBMUJFWSA-N 1 0 355.276 2.893 20 10 FFCDRO O=[S@](CC[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000826866787 743458932 /nfs/dbraw/zinc/45/89/32/743458932.db2.gz DKGYVWHPYDADLL-LJQANCHMSA-N 1 0 360.195 2.555 20 10 FFCDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000827675148 744959003 /nfs/dbraw/zinc/95/90/03/744959003.db2.gz ZCCQFAVKAJVHJQ-CYBMUJFWSA-N 1 0 355.276 2.891 20 10 FFCDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000827681646 744959376 /nfs/dbraw/zinc/95/93/76/744959376.db2.gz XCWKAGKNAHMONZ-GFCCVEGCSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000827878199 744995646 /nfs/dbraw/zinc/99/56/46/744995646.db2.gz PQTADPLFOKLJLH-GOSISDBHSA-N 1 0 350.528 2.852 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3CCO)cc2)CC1 ZINC000828047156 745021412 /nfs/dbraw/zinc/02/14/12/745021412.db2.gz HCKOMXJTVHOXNB-GOSISDBHSA-N 1 0 350.528 2.602 20 10 FFCDRO COC(C[N@H+](CCCO)Cc1ccc(N2CCCCC2)c(C)c1)OC ZINC000828761946 745112735 /nfs/dbraw/zinc/11/27/35/745112735.db2.gz RXWVTHUCCKWMSC-UHFFFAOYSA-N 1 0 350.503 2.789 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)ncc3F)cc2)CC1 ZINC000829296187 745189735 /nfs/dbraw/zinc/18/97/35/745189735.db2.gz DYNMCOZOEHQKCZ-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO C[C@H]1C[C@@H](N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[N@@H+]1C ZINC000830350341 745341791 /nfs/dbraw/zinc/34/17/91/745341791.db2.gz ACCVTWNTOBFJOJ-BBRMVZONSA-N 1 0 358.511 2.871 20 10 FFCDRO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283873 745671459 /nfs/dbraw/zinc/67/14/59/745671459.db2.gz CQUYUFWJUABXPT-SCLBCKFNSA-N 1 0 361.873 2.990 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000832293615 745673651 /nfs/dbraw/zinc/67/36/51/745673651.db2.gz YYKVOAQWPMHCBN-INIZCTEOSA-N 1 0 365.836 2.740 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1cccc(Br)c1 ZINC000834809398 745904938 /nfs/dbraw/zinc/90/49/38/745904938.db2.gz PACPEALMHZNDKM-FVQHAEBGSA-N 1 0 374.282 2.804 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000835040716 745937993 /nfs/dbraw/zinc/93/79/93/745937993.db2.gz FUNMFZIPXXCEJM-OICCZTGUSA-N 1 0 355.404 2.909 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000835054623 745940297 /nfs/dbraw/zinc/94/02/97/745940297.db2.gz WTVVOEDQZOZLLW-IDOMTICXSA-N 1 0 357.420 2.619 20 10 FFCDRO Brc1cc(C[NH2+]C[C@@H]2COCCO2)ccc1N1CCCCC1 ZINC000838906503 746734177 /nfs/dbraw/zinc/73/41/77/746734177.db2.gz IZPLDZPGYYSBFQ-OAHLLOKOSA-N 1 0 369.303 2.944 20 10 FFCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839067149 746764794 /nfs/dbraw/zinc/76/47/94/746764794.db2.gz OSWZAERRVVWQJR-AWEZNQCLSA-N 1 0 357.292 2.536 20 10 FFCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839080556 746769921 /nfs/dbraw/zinc/76/99/21/746769921.db2.gz RSLCDHGLGFXBQN-AWEZNQCLSA-N 1 0 357.292 2.536 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCC23CCOCC3)cc(F)c1N1CCOCC1 ZINC000840758704 747174663 /nfs/dbraw/zinc/17/46/63/747174663.db2.gz QQTDEQUREHCUKC-KRWDZBQOSA-N 1 0 352.425 2.850 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000840899413 747219045 /nfs/dbraw/zinc/21/90/45/747219045.db2.gz WVUFWFCSLHFLPV-UHFFFAOYSA-N 1 0 367.902 2.652 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000840975519 747248978 /nfs/dbraw/zinc/24/89/78/747248978.db2.gz HQQGHNYRNKNYCU-ZDUSSCGKSA-N 1 0 371.275 2.652 20 10 FFCDRO [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707458 747437550 /nfs/dbraw/zinc/43/75/50/747437550.db2.gz UFQFJNQYWKVLLQ-QGZVFWFLSA-N 1 0 362.543 2.510 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1O ZINC000841746299 747447453 /nfs/dbraw/zinc/44/74/53/747447453.db2.gz XTLYOAMKYPTBJW-YPMHNXCESA-N 1 0 365.813 2.865 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(Cl)cc1O ZINC000841758620 747451994 /nfs/dbraw/zinc/45/19/94/747451994.db2.gz UDCGDIZMDJYQFZ-QMTHXVAHSA-N 1 0 352.784 2.959 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)NC/C=C/C[NH3+])cc2Cl)C1 ZINC000841895237 747484271 /nfs/dbraw/zinc/48/42/71/747484271.db2.gz ACCJWFFYBVQBKJ-HSWBROFVSA-N 1 0 350.894 2.890 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978827 747495395 /nfs/dbraw/zinc/49/53/95/747495395.db2.gz SZPIFNJKWUZSAV-CQSZACIVSA-N 1 0 370.291 2.828 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000842784161 747686544 /nfs/dbraw/zinc/68/65/44/747686544.db2.gz GZGVOTPEXYKLLP-INIZCTEOSA-N 1 0 367.902 2.693 20 10 FFCDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000842786180 747688108 /nfs/dbraw/zinc/68/81/08/747688108.db2.gz LKXXFZIXNDTNCZ-SFHVURJKSA-N 1 0 361.511 2.656 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1C ZINC000842883222 747713865 /nfs/dbraw/zinc/71/38/65/747713865.db2.gz LNGCWPORIBTJIG-HUUCEWRRSA-N 1 0 361.463 2.895 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843432802 747835608 /nfs/dbraw/zinc/83/56/08/747835608.db2.gz QCUUJFMCIBCECY-LAQIPUCWSA-N 1 0 355.404 2.766 20 10 FFCDRO COc1c(O)c(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000846015064 748382880 /nfs/dbraw/zinc/38/28/80/748382880.db2.gz VTBDNLFTFFQTEP-ZUZCIYMTSA-N 1 0 350.346 2.660 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000848517920 748947690 /nfs/dbraw/zinc/94/76/90/748947690.db2.gz HOMMGHLTNNJMES-NEPJUHHUSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000848524759 748948911 /nfs/dbraw/zinc/94/89/11/748948911.db2.gz MAIVPACVFMQUHY-NEPJUHHUSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000848525113 748949225 /nfs/dbraw/zinc/94/92/25/748949225.db2.gz KIXJUDDRJMAASX-MFKMUULPSA-N 1 0 374.275 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1O ZINC000848543901 748954805 /nfs/dbraw/zinc/95/48/05/748954805.db2.gz IPJOTIVBXXKZPU-HZMBPMFUSA-N 1 0 374.275 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000848546056 748955728 /nfs/dbraw/zinc/95/57/28/748955728.db2.gz QOMPHWBFXSJJRF-BONVTDFDSA-N 1 0 360.248 2.619 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1O ZINC000848902283 749031310 /nfs/dbraw/zinc/03/13/10/749031310.db2.gz BRSQOUWXOGMQDY-UHFFFAOYSA-N 1 0 360.479 2.784 20 10 FFCDRO COCC[N@@H+](Cc1cccc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000848922703 749034612 /nfs/dbraw/zinc/03/46/12/749034612.db2.gz YLHNQRRXTULXPC-NSHDSACASA-N 1 0 372.181 2.526 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCSCC3)cc2F)C[C@@H](C)O1 ZINC000849069844 749044348 /nfs/dbraw/zinc/04/43/48/749044348.db2.gz SBZVJQNNLVPOKH-ZIAGYGMSSA-N 1 0 366.506 2.512 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000850137327 749309701 /nfs/dbraw/zinc/30/97/01/749309701.db2.gz NAYDOWXWOHFNNI-VJUNAUMWSA-N 1 0 366.889 2.797 20 10 FFCDRO COc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c(O)c(C(C)(C)C)c1 ZINC000850339379 749344779 /nfs/dbraw/zinc/34/47/79/749344779.db2.gz QSWPLOGTWCDFAT-HXUWFJFHSA-N 1 0 351.487 2.966 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000850341248 749344791 /nfs/dbraw/zinc/34/47/91/749344791.db2.gz DLKQGQFMTFLQRL-OAHLLOKOSA-N 1 0 365.857 2.764 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000850519592 749380969 /nfs/dbraw/zinc/38/09/69/749380969.db2.gz NVYARWKFGINOMW-CQSZACIVSA-N 1 0 352.422 2.770 20 10 FFCDRO COc1ccc(N(C)CCN(C)CC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000852211935 749804020 /nfs/dbraw/zinc/80/40/20/749804020.db2.gz ROBLQQJMDVKJLS-UHFFFAOYSA-N 1 0 362.861 2.750 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000852885694 749968728 /nfs/dbraw/zinc/96/87/28/749968728.db2.gz SBRZKKDGBWNHHZ-ZDUSSCGKSA-N 1 0 370.877 2.558 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@H+](C3CC3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000014265991 845028402 /nfs/dbraw/zinc/02/84/02/845028402.db2.gz ZFXGKYCWPFSTIY-HNNXBMFYSA-N 1 0 361.463 2.706 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)ccc1O ZINC000397414521 845867630 /nfs/dbraw/zinc/86/76/30/845867630.db2.gz XZPOYAIHHNALLF-GXTWGEPZSA-N 1 0 354.422 2.818 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)ccc1O ZINC000397414522 845867849 /nfs/dbraw/zinc/86/78/49/845867849.db2.gz XZPOYAIHHNALLF-JSGCOSHPSA-N 1 0 354.422 2.818 20 10 FFCDRO Cc1ccncc1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895697925 970872682 /nfs/dbraw/zinc/87/26/82/970872682.db2.gz BHRHPTBWVVYESG-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO COc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(O)c1OC ZINC000895860868 971004152 /nfs/dbraw/zinc/00/41/52/971004152.db2.gz JVMTWKUAHBMJFG-INIZCTEOSA-N 1 0 355.438 2.789 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000896442248 971492791 /nfs/dbraw/zinc/49/27/91/971492791.db2.gz QHZPPYDCUZPHSO-UHFFFAOYSA-N 1 0 368.433 2.558 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1O ZINC000896749663 971690333 /nfs/dbraw/zinc/69/03/33/971690333.db2.gz VLMPBKBATYPRSA-UHFFFAOYSA-N 1 0 368.437 2.695 20 10 FFCDRO C[NH+]1CCC(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888592187 1013132197 /nfs/dbraw/zinc/13/21/97/1013132197.db2.gz TWSMBEHHGLBXLY-UHFFFAOYSA-N 1 0 364.453 2.860 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001271241552 972391654 /nfs/dbraw/zinc/39/16/54/972391654.db2.gz FZQHPBVZHHTNGE-FQEVSTJZSA-N 1 0 355.438 2.554 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)ccc1N(C)C ZINC001275951311 1013220154 /nfs/dbraw/zinc/22/01/54/1013220154.db2.gz IVSYOOQYJOZBJY-LJQANCHMSA-N 1 0 351.441 2.751 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)OCC1=O ZINC001275952097 1013222210 /nfs/dbraw/zinc/22/22/10/1013222210.db2.gz UMDYDHZIASMJIM-UWJYYQICSA-N 1 0 359.514 2.663 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCOC3(CCC3)C2)[NH+](C)C)cc1 ZINC000891244275 962547113 /nfs/dbraw/zinc/54/71/13/962547113.db2.gz ZDSWCAPYUKKSKE-MJGOQNOKSA-N 1 0 359.514 2.821 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891245943 962561658 /nfs/dbraw/zinc/56/16/58/962561658.db2.gz KMJUWYOCALTUEY-KRWDZBQOSA-N 1 0 374.416 2.833 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2onc3c2CCCC3)[NH+](C)C)cc1 ZINC000891246287 962566668 /nfs/dbraw/zinc/56/66/68/962566668.db2.gz BWEHKIZAWFFIPL-GOSISDBHSA-N 1 0 356.470 2.652 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc([S@](C)=O)c2)[NH+](C)C)cc1 ZINC000891246376 962567992 /nfs/dbraw/zinc/56/79/92/962567992.db2.gz BRZNPYMNMKGTGX-BCHFMIIMSA-N 1 0 373.522 2.523 20 10 FFCDRO CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(O)cc1 ZINC000891247200 962570553 /nfs/dbraw/zinc/57/05/53/962570553.db2.gz GXJIDPJKCKHLGI-VQTJNVASSA-N 1 0 371.481 2.565 20 10 FFCDRO Cc1ccn([C@@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891247732 962580263 /nfs/dbraw/zinc/58/02/63/962580263.db2.gz UTFJUJNNFYLRIJ-QFBILLFUSA-N 1 0 357.502 2.628 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2O)[NH+](C)C)cc1 ZINC000891251176 962601808 /nfs/dbraw/zinc/60/18/08/962601808.db2.gz AOHMKIGDUVPHMG-IBGZPJMESA-N 1 0 355.482 2.810 20 10 FFCDRO Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256691 962620213 /nfs/dbraw/zinc/62/02/13/962620213.db2.gz ZURZQJGFJGHKMG-LIRRHRJNSA-N 1 0 371.529 2.626 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cn1cccn1 ZINC000873096010 1013383618 /nfs/dbraw/zinc/38/36/18/1013383618.db2.gz SSTRJDRYESIPSQ-SXLOBPIMSA-N 1 0 353.466 2.987 20 10 FFCDRO CCOc1cnc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426985 963030031 /nfs/dbraw/zinc/03/00/31/963030031.db2.gz SCQDRDPXPBITPN-UHFFFAOYSA-N 1 0 361.877 2.893 20 10 FFCDRO CC(C)=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001276064999 1013393787 /nfs/dbraw/zinc/39/37/87/1013393787.db2.gz YVWFHFOPGNSVFO-FQEVSTJZSA-N 1 0 360.429 2.839 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1Cn1cccn1 ZINC000873128715 1013394876 /nfs/dbraw/zinc/39/48/76/1013394876.db2.gz AREMVRSOOASJRW-HXUWFJFHSA-N 1 0 369.440 2.772 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)NC(=O)CC4)cc2)CC1 ZINC001167431205 963085609 /nfs/dbraw/zinc/08/56/09/963085609.db2.gz MCWKQTWVMVNPEE-UHFFFAOYSA-N 1 0 350.466 2.935 20 10 FFCDRO COc1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1Cn1cccn1 ZINC000873130629 1013395343 /nfs/dbraw/zinc/39/53/43/1013395343.db2.gz FCMKNYJQZGPRAA-FPOVZHCZSA-N 1 0 355.482 2.827 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC3(C[NH3+])CCCCC3)CC2)cc1 ZINC000891487782 964379808 /nfs/dbraw/zinc/37/98/08/964379808.db2.gz GTJQUVOJXHRBOM-UHFFFAOYSA-N 1 0 360.502 2.625 20 10 FFCDRO COc1cc(C)cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1O ZINC000894360542 965002643 /nfs/dbraw/zinc/00/26/43/965002643.db2.gz YKGOUSORLBHHBR-QGZVFWFLSA-N 1 0 356.470 2.857 20 10 FFCDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894586601 965501612 /nfs/dbraw/zinc/50/16/12/965501612.db2.gz WLBPGQIAVBKLAB-NRFANRHFSA-N 1 0 371.433 2.726 20 10 FFCDRO COC(=O)c1c(C[NH+]2CC(C3CCOCC3)C2)c2cc(F)ccc2n1C ZINC000894667926 965566451 /nfs/dbraw/zinc/56/64/51/965566451.db2.gz OVAGSAHROXGKQD-UHFFFAOYSA-N 1 0 360.429 2.962 20 10 FFCDRO CCOc1cccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1O ZINC000124624808 1013591814 /nfs/dbraw/zinc/59/18/14/1013591814.db2.gz UUWFNMVIYDIYSI-UHFFFAOYSA-N 1 0 371.437 2.873 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)n1-c1ccccc1C ZINC000262067086 966290719 /nfs/dbraw/zinc/29/07/19/966290719.db2.gz OQLZCEKZMHVBEY-IBGZPJMESA-N 1 0 366.509 2.522 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000176673592 966544628 /nfs/dbraw/zinc/54/46/28/966544628.db2.gz DESCGSHHLMKKTN-KRWDZBQOSA-N 1 0 354.450 2.814 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](C)[C@H]3C)cc2F)CC1 ZINC000178672022 967003421 /nfs/dbraw/zinc/00/34/21/967003421.db2.gz YXHZBLXWFIDPIA-JKSUJKDBSA-N 1 0 362.493 2.908 20 10 FFCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000892452565 968848954 /nfs/dbraw/zinc/84/89/54/968848954.db2.gz PONWZFMOYMICEP-KBAYOESNSA-N 1 0 361.486 2.600 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c(O)c1OC ZINC000892873946 970342620 /nfs/dbraw/zinc/34/26/20/970342620.db2.gz BWJCQBQQTOCNRB-QGZVFWFLSA-N 1 0 371.355 2.949 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000984396285 970366805 /nfs/dbraw/zinc/36/68/05/970366805.db2.gz JJXSMDPYAHYPMR-MKXGPGLRSA-N 1 0 360.498 2.803 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c(O)c1OC ZINC000893073296 970559857 /nfs/dbraw/zinc/55/98/57/970559857.db2.gz HKRZRXYGYPEBQM-CZUORRHYSA-N 1 0 356.422 2.693 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1O ZINC000895440106 970617026 /nfs/dbraw/zinc/61/70/26/970617026.db2.gz OKKFUPITKWOQJQ-QZTJIDSGSA-N 1 0 369.465 2.714 20 10 FFCDRO COc1ccc(C[NH2+][C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895483783 970672240 /nfs/dbraw/zinc/67/22/40/970672240.db2.gz BGCWQOXMFPTXIL-IBGZPJMESA-N 1 0 366.458 2.899 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000875453242 1014029424 /nfs/dbraw/zinc/02/94/24/1014029424.db2.gz YJBBAVCSBJYAHZ-UHFFFAOYSA-N 1 0 354.454 2.811 20 10 FFCDRO COc1ccc(CN2CC[C@@H]2CNC(=O)N(C)Cc2ccccc2O)cc1 ZINC000875811841 1014080417 /nfs/dbraw/zinc/08/04/17/1014080417.db2.gz LJAOSZTYRDAXQA-GOSISDBHSA-N 1 0 369.465 2.817 20 10 FFCDRO OCC1(C(F)(F)F)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000897045095 973190575 /nfs/dbraw/zinc/19/05/75/973190575.db2.gz DQRQFUTXVBTCFS-UHFFFAOYSA-N 1 0 372.431 2.785 20 10 FFCDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000840824631 973384971 /nfs/dbraw/zinc/38/49/71/973384971.db2.gz MATXQYDVSIAUPZ-OAHLLOKOSA-N 1 0 363.477 2.762 20 10 FFCDRO C[C@@H](Cc1ccncc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893451499 974117945 /nfs/dbraw/zinc/11/79/45/974117945.db2.gz HSUGXZLJXRQVBJ-JXFKEZNVSA-N 1 0 369.513 2.681 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCCC1 ZINC000653134180 1014235523 /nfs/dbraw/zinc/23/55/23/1014235523.db2.gz QBEPMDODSHIIGS-KXBFYZLASA-N 1 0 367.493 2.739 20 10 FFCDRO COc1ccc2c(c1)CC[C@H]2C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506221 1014288605 /nfs/dbraw/zinc/28/86/05/1014288605.db2.gz HLAMITVTOQRAAD-WOJBJXKFSA-N 1 0 353.466 2.607 20 10 FFCDRO C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000237501200 976066631 /nfs/dbraw/zinc/06/66/31/976066631.db2.gz FYTKGXUYRFWOSM-QGZVFWFLSA-N 1 0 359.514 2.507 20 10 FFCDRO C[C@@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237505072 976286408 /nfs/dbraw/zinc/28/64/08/976286408.db2.gz VEAPWUSHNVGASC-JENIJYKNSA-N 1 0 359.514 2.726 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1OC ZINC000898449295 976459837 /nfs/dbraw/zinc/45/98/37/976459837.db2.gz AOIVMBBYMAIANW-GOSISDBHSA-N 1 0 373.497 2.868 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1O ZINC000876634120 1014333860 /nfs/dbraw/zinc/33/38/60/1014333860.db2.gz YRKRZSZLDRKYDM-UHFFFAOYSA-N 1 0 356.466 2.994 20 10 FFCDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876879541 1014409417 /nfs/dbraw/zinc/40/94/17/1014409417.db2.gz KVSPNKUPUFVNQA-TZIWHRDSSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894046262 977646736 /nfs/dbraw/zinc/64/67/36/977646736.db2.gz MAFBJQATDQBBQQ-TZMCWYRMSA-N 1 0 366.458 2.754 20 10 FFCDRO CCc1cnccc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894062396 977650155 /nfs/dbraw/zinc/65/01/55/977650155.db2.gz XCQNJOZYFSXENB-HXUWFJFHSA-N 1 0 369.513 2.812 20 10 FFCDRO CCNC(=O)COc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1OC ZINC000876936437 1014425996 /nfs/dbraw/zinc/42/59/96/1014425996.db2.gz JMSSJGSBCIGJON-UHFFFAOYSA-N 1 0 358.438 2.514 20 10 FFCDRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000876995663 1014445093 /nfs/dbraw/zinc/44/50/93/1014445093.db2.gz HPNNVNDJEONMDY-UHFFFAOYSA-N 1 0 353.466 2.659 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCN1C1CCCCC1 ZINC000877110965 1014477227 /nfs/dbraw/zinc/47/72/27/1014477227.db2.gz CCCYCVKECIVGTG-OAQYLSRUSA-N 1 0 371.525 2.671 20 10 FFCDRO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172592 1014499095 /nfs/dbraw/zinc/49/90/95/1014499095.db2.gz ULSFNTZORDEINF-HFZDXXHNSA-N 1 0 372.534 2.857 20 10 FFCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877196801 1014506617 /nfs/dbraw/zinc/50/66/17/1014506617.db2.gz KLKHNJUMEPEGSS-UHFFFAOYSA-N 1 0 354.494 2.951 20 10 FFCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC000877473152 1014593547 /nfs/dbraw/zinc/59/35/47/1014593547.db2.gz DTGABVOUUWSHBK-UHFFFAOYSA-N 1 0 360.498 2.861 20 10 FFCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877497999 1014602216 /nfs/dbraw/zinc/60/22/16/1014602216.db2.gz HWQMGMZEVNZCFE-HXUWFJFHSA-N 1 0 354.494 2.731 20 10 FFCDRO CN(C)C(=O)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877563944 1014629177 /nfs/dbraw/zinc/62/91/77/1014629177.db2.gz RODNUUOQWHQLAY-UHFFFAOYSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cccn(C(F)F)c3=O)C2)cc1 ZINC000877598910 1014640164 /nfs/dbraw/zinc/64/01/64/1014640164.db2.gz WONCYOYJHAZZGA-AWEZNQCLSA-N 1 0 363.408 2.868 20 10 FFCDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877632144 1014654442 /nfs/dbraw/zinc/65/44/42/1014654442.db2.gz ZVLGJFUGLUIQOF-UGKGYDQZSA-N 1 0 368.525 2.882 20 10 FFCDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877637656 1014654883 /nfs/dbraw/zinc/65/48/83/1014654883.db2.gz YNTXUVUUYNPBIL-INIZCTEOSA-N 1 0 355.482 2.772 20 10 FFCDRO Cc1cc(C(=O)Cn2cc(C[NH2+]C(C)C)nn2)c(C)n1-c1ccc(F)cn1 ZINC000905810310 980517535 /nfs/dbraw/zinc/51/75/35/980517535.db2.gz ZEIGGPUUVORRRN-UHFFFAOYSA-N 1 0 370.432 2.601 20 10 FFCDRO O=C(c1ccc(O)c(O)c1O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001272044320 980604945 /nfs/dbraw/zinc/60/49/45/980604945.db2.gz SXSBAGVTCYAICO-UHFFFAOYSA-N 1 0 360.454 2.674 20 10 FFCDRO CCCC[C@@H](CC)C[N@@H+]1CCC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001272048239 980711211 /nfs/dbraw/zinc/71/12/11/980711211.db2.gz IREPMSKEAZAIFN-CQSZACIVSA-N 1 0 362.470 2.920 20 10 FFCDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000877704791 1014692947 /nfs/dbraw/zinc/69/29/47/1014692947.db2.gz MYRBVEXYDSENIC-HXUWFJFHSA-N 1 0 357.454 2.761 20 10 FFCDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000067651404 981529626 /nfs/dbraw/zinc/52/96/26/981529626.db2.gz ZPUUCJLYTNZQLH-UHFFFAOYSA-N 1 0 371.437 2.942 20 10 FFCDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877826375 1014744707 /nfs/dbraw/zinc/74/47/07/1014744707.db2.gz CGEZPJYTZSNRMQ-QAQDUYKDSA-N 1 0 360.498 2.858 20 10 FFCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(N)cc1 ZINC000841957245 982464916 /nfs/dbraw/zinc/46/49/16/982464916.db2.gz HCVIJUSEJVDHHF-HXUWFJFHSA-N 1 0 366.509 2.975 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955321 982466217 /nfs/dbraw/zinc/46/62/17/982466217.db2.gz ZCGKKEGBGYOCET-FQEVSTJZSA-N 1 0 352.482 2.727 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000897986259 982583984 /nfs/dbraw/zinc/58/39/84/982583984.db2.gz AHIMPDKEVBVAPR-XQDHMALISA-N 1 0 354.454 2.874 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000898282727 982663949 /nfs/dbraw/zinc/66/39/49/982663949.db2.gz KDOATQNGFCQNON-SOFGYWHQSA-N 1 0 373.522 2.951 20 10 FFCDRO COC(=O)C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000898304254 982678513 /nfs/dbraw/zinc/67/85/13/982678513.db2.gz AOUPXOHLTUCCDL-INIZCTEOSA-N 1 0 359.422 2.673 20 10 FFCDRO Oc1ccccc1C[N@@H+](C[C@H]1CC2(CO1)CCOCC2)C[C@@H]1CCCO1 ZINC000878239982 1014939535 /nfs/dbraw/zinc/93/95/35/1014939535.db2.gz COGYTIPHIMXKJA-RBUKOAKNSA-N 1 0 361.482 2.959 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000164201503 984334850 /nfs/dbraw/zinc/33/48/50/984334850.db2.gz OZFSTXGHLVOSIY-UHFFFAOYSA-N 1 0 374.506 2.906 20 10 FFCDRO COc1cc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164447050 984369910 /nfs/dbraw/zinc/36/99/10/984369910.db2.gz LSICQPSAUZWQPJ-UHFFFAOYSA-N 1 0 362.514 2.995 20 10 FFCDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000165488680 984465005 /nfs/dbraw/zinc/46/50/05/984465005.db2.gz OHAOOEWZGCSAMD-UHFFFAOYSA-N 1 0 373.419 2.546 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000764383685 984468947 /nfs/dbraw/zinc/46/89/47/984468947.db2.gz UPEDPCGCPAQVKF-KRWDZBQOSA-N 1 0 363.477 2.543 20 10 FFCDRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921582371 985411220 /nfs/dbraw/zinc/41/12/20/985411220.db2.gz TVIUCNCPCPCNSH-QGZVFWFLSA-N 1 0 369.387 2.675 20 10 FFCDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000139957233 985640644 /nfs/dbraw/zinc/64/06/44/985640644.db2.gz ITJLYZSGNOKMGN-MSOLQXFVSA-N 1 0 374.529 2.758 20 10 FFCDRO Cc1cc(CC(=O)N2CCC(O)(C[NH+](C)C)CC2)c(C)n1-c1ccccc1 ZINC000913676220 986811229 /nfs/dbraw/zinc/81/12/29/986811229.db2.gz OIMGZIDNVMVAGB-UHFFFAOYSA-N 1 0 369.509 2.552 20 10 FFCDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccccc1 ZINC000176496959 987492134 /nfs/dbraw/zinc/49/21/34/987492134.db2.gz LXHVPCTZBCTWPJ-HNNXBMFYSA-N 1 0 368.433 2.763 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000153193361 987734567 /nfs/dbraw/zinc/73/45/67/987734567.db2.gz YCTXCMIPCOMZIP-UHFFFAOYSA-N 1 0 364.486 2.546 20 10 FFCDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000765979555 988236181 /nfs/dbraw/zinc/23/61/81/988236181.db2.gz LPFRNPBNBCOKLK-INIZCTEOSA-N 1 0 374.506 2.781 20 10 FFCDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922546538 988684201 /nfs/dbraw/zinc/68/42/01/988684201.db2.gz YGYLAOBIZAYLOB-HXUWFJFHSA-N 1 0 354.494 2.731 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 ZINC000922563142 988695246 /nfs/dbraw/zinc/69/52/46/988695246.db2.gz ARYHJLLVQHJPGN-NRFANRHFSA-N 1 0 358.457 2.784 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnn3C(C)(C)C)cc2)CC1 ZINC000879275225 1015454957 /nfs/dbraw/zinc/45/49/57/1015454957.db2.gz JPFGJKLGHUGCJD-UHFFFAOYSA-N 1 0 370.501 2.712 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccc(C=O)cc3)cc2)CC1 ZINC000918914572 990522916 /nfs/dbraw/zinc/52/29/16/990522916.db2.gz WILBNNNGGMZLSE-FLIBITNWSA-N 1 0 363.461 2.581 20 10 FFCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000919789945 990731480 /nfs/dbraw/zinc/73/14/80/990731480.db2.gz ATSYFDPEGXQNDI-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)n1-c1ccc(F)cn1 ZINC000879579703 1015596708 /nfs/dbraw/zinc/59/67/08/1015596708.db2.gz OOCUHRNFMFSABP-APWZRJJASA-N 1 0 370.472 2.837 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000179622844 991304782 /nfs/dbraw/zinc/30/47/82/991304782.db2.gz VGBNKMHKOGYSJO-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1O ZINC000879649031 1015626021 /nfs/dbraw/zinc/62/60/21/1015626021.db2.gz JUMDPNAROXGYFJ-QGZVFWFLSA-N 1 0 368.477 2.907 20 10 FFCDRO C[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)cc1 ZINC000068549210 991467261 /nfs/dbraw/zinc/46/72/61/991467261.db2.gz MSFJZYISVDACNQ-FFZOFVMBSA-N 1 0 372.513 2.510 20 10 FFCDRO C[C@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000068549355 991467347 /nfs/dbraw/zinc/46/73/47/991467347.db2.gz WVLSWDDHLCUZCR-SFHVURJKSA-N 1 0 374.529 2.615 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000071988017 992713567 /nfs/dbraw/zinc/71/35/67/992713567.db2.gz UNEOBVMPRLVJTQ-UHFFFAOYSA-N 1 0 374.573 2.765 20 10 FFCDRO COCC[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001107007362 993138486 /nfs/dbraw/zinc/13/84/86/993138486.db2.gz WIUGPHNIJQJZNR-KVSKMBFKSA-N 1 0 362.514 2.860 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)n1-c1ccc(F)cn1 ZINC000880141718 1015766175 /nfs/dbraw/zinc/76/61/75/1015766175.db2.gz KQBYWGWYIUNTGN-RBUKOAKNSA-N 1 0 370.472 2.979 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000072670360 993261507 /nfs/dbraw/zinc/26/15/07/993261507.db2.gz PIHUMRNNEQYQTL-UHFFFAOYSA-N 1 0 373.541 2.648 20 10 FFCDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000810124818 994706965 /nfs/dbraw/zinc/70/69/65/994706965.db2.gz KNESHGCUKIJHFY-UYAOXDASSA-N 1 0 363.546 2.689 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]2C)cc1C ZINC001082484822 994724329 /nfs/dbraw/zinc/72/43/29/994724329.db2.gz QVYXQUGRUMGBKP-RDTXWAMCSA-N 1 0 357.429 2.788 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3c(C)ccn3C)C[C@H]2C)cc1C ZINC001082489718 994739139 /nfs/dbraw/zinc/73/91/39/994739139.db2.gz BAIKQABXPSKUJL-SJLPKXTDSA-N 1 0 355.482 2.901 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnnc(C)c3)C2)cc1C ZINC001086682964 994932175 /nfs/dbraw/zinc/93/21/75/994932175.db2.gz PUDPOUKLQPIKHC-PKOBYXMFSA-N 1 0 368.481 2.790 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001132898987 995193605 /nfs/dbraw/zinc/19/36/05/995193605.db2.gz IZCJVJZBZKUSSF-NHCUHLMSSA-N 1 0 367.468 2.997 20 10 FFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000811868293 995273866 /nfs/dbraw/zinc/27/38/66/995273866.db2.gz TVIGJBPYXYHVOL-IRXDYDNUSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc(F)ccc3OC)CC2)cc1 ZINC000812746459 995522098 /nfs/dbraw/zinc/52/20/98/995522098.db2.gz BASLCXJQUZIDGO-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC(C)(CC)C3)cc2F)CC1 ZINC000813063513 995608446 /nfs/dbraw/zinc/60/84/46/995608446.db2.gz UUAHKAHCNLFKBY-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3occc3C)cc2F)CC1 ZINC000826719065 1016025015 /nfs/dbraw/zinc/02/50/15/1016025015.db2.gz DFLMQFHLVDDATQ-UHFFFAOYSA-N 1 0 359.445 2.728 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC001136875056 996935790 /nfs/dbraw/zinc/93/57/90/996935790.db2.gz WWZUQOFDZGJWBF-UWJYYQICSA-N 1 0 368.525 2.767 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824550597 996987622 /nfs/dbraw/zinc/98/76/22/996987622.db2.gz DDVMKXLPPRCEML-HKUYNNGSSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)C2)cc1 ZINC000824692746 997057648 /nfs/dbraw/zinc/05/76/48/997057648.db2.gz HLHJMPMBQWOPEC-YLJYHZDGSA-N 1 0 374.529 2.503 20 10 FFCDRO CSc1cccc(-n2c(C)cc(C(=O)Cn3cc(CC[NH3+])nn3)c2C)c1 ZINC000881028035 1016089694 /nfs/dbraw/zinc/08/96/94/1016089694.db2.gz WMRLAUHINFXXRQ-UHFFFAOYSA-N 1 0 369.494 2.792 20 10 FFCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000825158693 997249996 /nfs/dbraw/zinc/24/99/96/997249996.db2.gz WMKBMLXBPVUXMN-NRFANRHFSA-N 1 0 357.450 2.802 20 10 FFCDRO CCOc1cccc(C[N@H+](CCO)Cc2cc(OC)c(OC)cc2O)c1 ZINC000825305871 997305248 /nfs/dbraw/zinc/30/52/48/997305248.db2.gz UZGKPKJZDYTFGH-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO C[C@@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000844177039 997694695 /nfs/dbraw/zinc/69/46/95/997694695.db2.gz YLQFLWWAAWPWSQ-IIBYNOLFSA-N 1 0 353.466 2.575 20 10 FFCDRO CC[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]1 ZINC000844188588 997699108 /nfs/dbraw/zinc/69/91/08/997699108.db2.gz WZOILQOWNDYHJN-IFXJQAMLSA-N 1 0 367.440 2.905 20 10 FFCDRO Oc1ccc(Br)cc1CNc1ncccc1N1CC[NH2+]CC1 ZINC001171174073 998459617 /nfs/dbraw/zinc/45/96/17/998459617.db2.gz GJYTWVRGHPPUTE-UHFFFAOYSA-N 1 0 363.259 2.571 20 10 FFCDRO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000732202775 998545094 /nfs/dbraw/zinc/54/50/94/998545094.db2.gz BUSFGBQLTXIUQM-UHFFFAOYSA-N 1 0 356.466 2.978 20 10 FFCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001144504111 998612028 /nfs/dbraw/zinc/61/20/28/998612028.db2.gz MCYOVNUPHOLZGH-UHFFFAOYSA-N 1 0 366.458 2.882 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2c(O)cc(O)cc2O)C1 ZINC001144503707 998612330 /nfs/dbraw/zinc/61/23/30/998612330.db2.gz AQWBYKYRENJLDH-LJQANCHMSA-N 1 0 364.442 2.779 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144503724 998612367 /nfs/dbraw/zinc/61/23/67/998612367.db2.gz BDCVQJJSKJMQEH-LJQANCHMSA-N 1 0 364.442 2.636 20 10 FFCDRO Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508715 998614511 /nfs/dbraw/zinc/61/45/11/998614511.db2.gz VYSSJKSQYXJZRE-UHFFFAOYSA-N 1 0 355.438 2.739 20 10 FFCDRO O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144508719 998621159 /nfs/dbraw/zinc/62/11/59/998621159.db2.gz WBBFEILXLMURJO-HNNXBMFYSA-N 1 0 374.481 2.712 20 10 FFCDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509488 998622667 /nfs/dbraw/zinc/62/26/67/998622667.db2.gz BYJMYHGOTLFJMK-UHFFFAOYSA-N 1 0 372.421 2.525 20 10 FFCDRO O=C(COC(=O)C1=CC(=O)CS1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000732354704 998627226 /nfs/dbraw/zinc/62/72/26/998627226.db2.gz QZQPETLWLVDZBB-UHFFFAOYSA-N 1 0 374.462 2.523 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2nn(C)cc2C)cc1C ZINC001085196206 999127972 /nfs/dbraw/zinc/12/79/72/999127972.db2.gz MMBGXLFEGRCENL-QZTJIDSGSA-N 1 0 370.497 2.876 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@]2(F)CCOC2)cc1C ZINC001085310116 999339913 /nfs/dbraw/zinc/33/99/13/999339913.db2.gz OGUKIFYEOZELFC-MBOZVWFJSA-N 1 0 364.461 2.649 20 10 FFCDRO CC(C)(C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1CCCCC1 ZINC000828719659 999578473 /nfs/dbraw/zinc/57/84/73/999578473.db2.gz SORBAZFNBZUMLQ-UHFFFAOYSA-N 1 0 373.541 2.776 20 10 FFCDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000741054192 999705814 /nfs/dbraw/zinc/70/58/14/999705814.db2.gz JMMGYVJLOUCCEA-RTBURBONSA-N 1 0 361.530 2.846 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407137 1000044089 /nfs/dbraw/zinc/04/40/89/1000044089.db2.gz ZKONYLQRMXPZAO-VLIAUNLRSA-N 1 0 372.465 2.656 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000768180598 1000192492 /nfs/dbraw/zinc/19/24/92/1000192492.db2.gz RNPCRDBSWZGHSJ-UHFFFAOYSA-N 1 0 354.450 2.790 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000846051909 1000197970 /nfs/dbraw/zinc/19/79/70/1000197970.db2.gz MTZGFSXETIIISG-UHFFFAOYSA-N 1 0 355.438 2.708 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110099 1000203291 /nfs/dbraw/zinc/20/32/91/1000203291.db2.gz WUKHARVRZDLMSA-OAQYLSRUSA-N 1 0 357.450 2.992 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000846138201 1000217295 /nfs/dbraw/zinc/21/72/95/1000217295.db2.gz UYBPJRGBYSAADW-AEFFLSMTSA-N 1 0 356.466 2.952 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000768316371 1000219106 /nfs/dbraw/zinc/21/91/06/1000219106.db2.gz UMKXSABYZGOVFD-UHFFFAOYSA-N 1 0 364.486 2.544 20 10 FFCDRO COc1cc(C)c(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cc1OC ZINC000768442985 1000248299 /nfs/dbraw/zinc/24/82/99/1000248299.db2.gz UZRIGSRNOXUFMP-QGZVFWFLSA-N 1 0 359.422 2.776 20 10 FFCDRO COc1cc(C)c(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1OC ZINC000768442984 1000248956 /nfs/dbraw/zinc/24/89/56/1000248956.db2.gz UZRIGSRNOXUFMP-KRWDZBQOSA-N 1 0 359.422 2.776 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CCC3(C)C)CC2)cc1 ZINC000806022494 1000258538 /nfs/dbraw/zinc/25/85/38/1000258538.db2.gz XHEPWXKADDKLBM-IBGZPJMESA-N 1 0 374.529 2.695 20 10 FFCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1)[C@@H](O)CO2 ZINC000768464926 1000263195 /nfs/dbraw/zinc/26/31/95/1000263195.db2.gz XMSBTCMECCQRMK-PXNSSMCTSA-N 1 0 355.434 2.652 20 10 FFCDRO Cn1nnc2cc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)ccc21 ZINC000768542708 1000291281 /nfs/dbraw/zinc/29/12/81/1000291281.db2.gz XEPZSPCTSJSBBQ-QGZVFWFLSA-N 1 0 352.438 2.855 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCC1CCC1 ZINC000768684547 1000330146 /nfs/dbraw/zinc/33/01/46/1000330146.db2.gz LXMQDOVXNHACCY-UHFFFAOYSA-N 1 0 356.514 2.818 20 10 FFCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000768841219 1000365952 /nfs/dbraw/zinc/36/59/52/1000365952.db2.gz IFFGABADMXBYKK-JKSUJKDBSA-N 1 0 362.445 2.757 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000769007795 1000415955 /nfs/dbraw/zinc/41/59/55/1000415955.db2.gz WQCOMMYBWGVQNT-PKOBYXMFSA-N 1 0 361.530 2.896 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000769007790 1000416179 /nfs/dbraw/zinc/41/61/79/1000416179.db2.gz WQCOMMYBWGVQNT-MJGOQNOKSA-N 1 0 361.530 2.896 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000769233971 1000471288 /nfs/dbraw/zinc/47/12/88/1000471288.db2.gz UWIICIVFSSZRHN-UHFFFAOYSA-N 1 0 356.422 2.957 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC000769315526 1000491419 /nfs/dbraw/zinc/49/14/19/1000491419.db2.gz CEVBMIYISSOFNL-UHFFFAOYSA-N 1 0 360.546 2.519 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000769320697 1000492853 /nfs/dbraw/zinc/49/28/53/1000492853.db2.gz UOCRSFMLINBFRP-LPHOPBHVSA-N 1 0 359.514 2.513 20 10 FFCDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769513823 1000539251 /nfs/dbraw/zinc/53/92/51/1000539251.db2.gz FNWKFSDPNUJIAG-IBGZPJMESA-N 1 0 361.505 2.826 20 10 FFCDRO CCOC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769662661 1000571909 /nfs/dbraw/zinc/57/19/09/1000571909.db2.gz FPJRSTKVTTVEDU-HNNXBMFYSA-N 1 0 372.465 2.903 20 10 FFCDRO Cc1cccc(N(C(=O)c2cccc(O)c2O)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001148213822 1001069236 /nfs/dbraw/zinc/06/92/36/1001069236.db2.gz KGVOVJWVFUBDJR-IIBYNOLFSA-N 1 0 368.433 2.574 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)n1 ZINC000771389755 1001098053 /nfs/dbraw/zinc/09/80/53/1001098053.db2.gz LXBUKYRSXLNVCO-MRXNPFEDSA-N 1 0 373.522 2.784 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3/SC(N4CCCCC4)=NC3=O)cc2)CC1 ZINC000771521120 1001135477 /nfs/dbraw/zinc/13/54/77/1001135477.db2.gz QBSZFFWMZQFPBR-OBGWFSINSA-N 1 0 370.522 2.895 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(F)ccc3C)CC2)cc1 ZINC000787251045 1001676811 /nfs/dbraw/zinc/67/68/11/1001676811.db2.gz BKIPBRIJZWOQQY-IBGZPJMESA-N 1 0 374.456 2.705 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC001182424643 1001833870 /nfs/dbraw/zinc/83/38/70/1001833870.db2.gz VLCCSYPMWYIJKW-MRXNPFEDSA-N 1 0 364.555 2.939 20 10 FFCDRO CCc1cncc(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)c1 ZINC000789933491 1002243618 /nfs/dbraw/zinc/24/36/18/1002243618.db2.gz AAPXEWDHMXNOFC-UHFFFAOYSA-N 1 0 370.472 2.855 20 10 FFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000790652002 1002459866 /nfs/dbraw/zinc/45/98/66/1002459866.db2.gz HKVZBGRAVVVKLZ-JOCHJYFZSA-N 1 0 369.509 2.924 20 10 FFCDRO CCc1[nH]c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C(=O)OC ZINC001184217950 1002530285 /nfs/dbraw/zinc/53/02/85/1002530285.db2.gz KRURMSGFMRMZQO-HXUWFJFHSA-N 1 0 372.513 2.822 20 10 FFCDRO COc1c(O)c(CNc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000774936415 1003085302 /nfs/dbraw/zinc/08/53/02/1003085302.db2.gz SNXIXYIQFUJIBI-UHFFFAOYSA-N 1 0 372.425 2.673 20 10 FFCDRO COc1ccc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000792798644 1003183868 /nfs/dbraw/zinc/18/38/68/1003183868.db2.gz LDKPVOXREDNZCV-UHFFFAOYSA-N 1 0 369.465 2.648 20 10 FFCDRO COc1ccc(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)c(O)c1 ZINC000793086951 1003274626 /nfs/dbraw/zinc/27/46/26/1003274626.db2.gz WTGXCQSFBLOBQG-UHFFFAOYSA-N 1 0 363.502 2.958 20 10 FFCDRO COc1c(O)c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000775010827 1003293077 /nfs/dbraw/zinc/29/30/77/1003293077.db2.gz FDNOXVXTGIYCTH-UHFFFAOYSA-N 1 0 359.382 2.816 20 10 FFCDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000793612730 1003444396 /nfs/dbraw/zinc/44/43/96/1003444396.db2.gz VHZMWUMEOBTKFI-WMLDXEAASA-N 1 0 373.449 2.919 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000804852607 1003889248 /nfs/dbraw/zinc/88/92/48/1003889248.db2.gz KVUPSQYXLJEMQV-BIYNOUFRSA-N 1 0 359.426 2.844 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806542859 1004348662 /nfs/dbraw/zinc/34/86/62/1004348662.db2.gz ZDKYZVVXZUMRJT-XLIONFOSSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000806809532 1004420867 /nfs/dbraw/zinc/42/08/67/1004420867.db2.gz BECQAMXTQYWWKD-AUUYWEPGSA-N 1 0 357.454 2.891 20 10 FFCDRO CCC1CCC([N@H+](CCO)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001194066397 1004644060 /nfs/dbraw/zinc/64/40/60/1004644060.db2.gz JIPAYDPRDXWXEO-UHFFFAOYSA-N 1 0 361.530 2.632 20 10 FFCDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000807827111 1004702583 /nfs/dbraw/zinc/70/25/83/1004702583.db2.gz AZKARXGIXHRHEL-KRWDZBQOSA-N 1 0 358.438 2.918 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c1O ZINC000776154040 1005199329 /nfs/dbraw/zinc/19/93/29/1005199329.db2.gz MJHNOFYUJMTBFU-LJQANCHMSA-N 1 0 373.840 2.698 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)C3CC3)cc2F)CC1 ZINC000106584756 1005343294 /nfs/dbraw/zinc/34/32/94/1005343294.db2.gz JDOLVVYBVAONJS-OAHLLOKOSA-N 1 0 362.493 2.908 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cccc(CO)c3)CC2)cc1 ZINC000776305196 1005354738 /nfs/dbraw/zinc/35/47/38/1005354738.db2.gz DVNCVFLUZROUFR-SFHVURJKSA-N 1 0 369.509 2.660 20 10 FFCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850033508 1005779894 /nfs/dbraw/zinc/77/98/94/1005779894.db2.gz BXGYQERTYCUJSJ-UHFFFAOYSA-N 1 0 372.366 2.704 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4nc(C)cc(C)n34)C2)cc1 ZINC000850347429 1005808901 /nfs/dbraw/zinc/80/89/01/1005808901.db2.gz RYVMHARAUSEWNJ-INIZCTEOSA-N 1 0 351.454 2.723 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)c1 ZINC000850414175 1005814141 /nfs/dbraw/zinc/81/41/41/1005814141.db2.gz LKAAJDKUCXJGJJ-FQEVSTJZSA-N 1 0 369.509 2.697 20 10 FFCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000850425429 1005815042 /nfs/dbraw/zinc/81/50/42/1005815042.db2.gz MFYHXPOLQBGTGA-ZJRDLVKKSA-N 1 0 359.514 2.826 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c1 ZINC000850556121 1005822130 /nfs/dbraw/zinc/82/21/30/1005822130.db2.gz QWRYGJBNUJJQFA-XMSQKQJNSA-N 1 0 370.493 2.615 20 10 FFCDRO Nc1ccc(NC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000850751088 1005836118 /nfs/dbraw/zinc/83/61/18/1005836118.db2.gz UJMZLTXKPVKNQX-UHFFFAOYSA-N 1 0 365.481 2.745 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)cc(C[NH3+])c3)C2)cc1 ZINC000850755353 1005836331 /nfs/dbraw/zinc/83/63/31/1005836331.db2.gz GOERHGXRVNUGRJ-INIZCTEOSA-N 1 0 354.454 2.863 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898641 1005921156 /nfs/dbraw/zinc/92/11/56/1005921156.db2.gz WNNBGVQMNWEHLE-SMMRIJLZSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000851996859 1005931091 /nfs/dbraw/zinc/93/10/91/1005931091.db2.gz AKSZXWDCIQYPSJ-QGZVFWFLSA-N 1 0 374.529 2.836 20 10 FFCDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)cc1 ZINC000852011827 1005932816 /nfs/dbraw/zinc/93/28/16/1005932816.db2.gz ARNSCWJVVFDBCP-SJLPKXTDSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000852012069 1005932948 /nfs/dbraw/zinc/93/29/48/1005932948.db2.gz DNFRDBHQZRFJDH-VQIMIIECSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000813613385 1005993403 /nfs/dbraw/zinc/99/34/03/1005993403.db2.gz NRESTLDRIIFMBR-HNNXBMFYSA-N 1 0 362.493 2.908 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000852414002 1006013386 /nfs/dbraw/zinc/01/33/86/1006013386.db2.gz HPUSPYUYDAFDHY-QGZVFWFLSA-N 1 0 362.518 2.646 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000852413999 1006013869 /nfs/dbraw/zinc/01/38/69/1006013869.db2.gz HPUSPYUYDAFDHY-KRWDZBQOSA-N 1 0 362.518 2.646 20 10 FFCDRO CCN(C)c1ccc(Cn2cc(COc3ccccc3C[NH3+])nn2)cc1 ZINC000881313312 1006040880 /nfs/dbraw/zinc/04/08/80/1006040880.db2.gz IGPROHJMXCDVSX-UHFFFAOYSA-N 1 0 351.454 2.820 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000852681010 1006135390 /nfs/dbraw/zinc/13/53/90/1006135390.db2.gz CKZBIDYZMMADQI-OAQYLSRUSA-N 1 0 367.493 2.864 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1-c1ccon1 ZINC000852791506 1006184727 /nfs/dbraw/zinc/18/47/27/1006184727.db2.gz IHDSIKYIWUJRRN-SFHVURJKSA-N 1 0 367.453 2.578 20 10 FFCDRO Cc1nc2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2o1 ZINC000881853931 1006243925 /nfs/dbraw/zinc/24/39/25/1006243925.db2.gz OPDNOQSHMODZFN-UHFFFAOYSA-N 1 0 364.449 2.818 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)[C@H]3CCCCO3)cc2)CC1 ZINC000881854319 1006244613 /nfs/dbraw/zinc/24/46/13/1006244613.db2.gz BFPJLMKTMUJORC-LJQANCHMSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000853243269 1006348204 /nfs/dbraw/zinc/34/82/04/1006348204.db2.gz ATSCFZOYMKRAGE-QZTJIDSGSA-N 1 0 374.529 2.838 20 10 FFCDRO CN(Cc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662598 1006466262 /nfs/dbraw/zinc/46/62/62/1006466262.db2.gz JPMSQWWVJGMKJK-UHFFFAOYSA-N 1 0 352.482 2.780 20 10 FFCDRO Cn1ncc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Cl ZINC000815133172 1006526644 /nfs/dbraw/zinc/52/66/44/1006526644.db2.gz GJOLBAWENSPTHC-UHFFFAOYSA-N 1 0 373.932 2.895 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883370935 1006768786 /nfs/dbraw/zinc/76/87/86/1006768786.db2.gz VLUQUVRVBDMRNY-IRLDBZIGSA-N 1 0 374.573 2.590 20 10 FFCDRO Cc1noc(C)c1[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883411508 1006783500 /nfs/dbraw/zinc/78/35/00/1006783500.db2.gz ZWMAYEDRBKCYJF-AWEZNQCLSA-N 1 0 371.485 2.604 20 10 FFCDRO Cc1nc(C)c(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883461426 1006803562 /nfs/dbraw/zinc/80/35/62/1006803562.db2.gz UROCJNCVEXWITA-UHFFFAOYSA-N 1 0 373.526 2.511 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3(C)CC(F)(F)C3)cc2)CC1 ZINC000883874586 1007052913 /nfs/dbraw/zinc/05/29/13/1007052913.db2.gz YYFAJDFIBIUNIC-UHFFFAOYSA-N 1 0 366.456 2.673 20 10 FFCDRO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483479 1007062507 /nfs/dbraw/zinc/06/25/07/1007062507.db2.gz UIBWSFJWTKATRJ-UHFFFAOYSA-N 1 0 374.448 2.544 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000816545208 1007104947 /nfs/dbraw/zinc/10/49/47/1007104947.db2.gz IEJPPAOFBFZXFL-UHFFFAOYSA-N 1 0 367.449 2.785 20 10 FFCDRO CN(Cc1ccc2c(c1)oc(=O)n2C)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569195 1007121129 /nfs/dbraw/zinc/12/11/29/1007121129.db2.gz BVKTXWYWOXVNON-UHFFFAOYSA-N 1 0 355.438 2.708 20 10 FFCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc4ccccc4c3O)C2)nn1 ZINC000816570530 1007121965 /nfs/dbraw/zinc/12/19/65/1007121965.db2.gz XVXDCAQZPKTIDX-INIZCTEOSA-N 1 0 366.421 2.761 20 10 FFCDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000780724857 1007127670 /nfs/dbraw/zinc/12/76/70/1007127670.db2.gz PKCGFYBZBUORFO-INIZCTEOSA-N 1 0 373.522 2.730 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)cc1 ZINC000855230981 1007197546 /nfs/dbraw/zinc/19/75/46/1007197546.db2.gz RNDNFDZWNNHWQF-GOSISDBHSA-N 1 0 353.466 2.766 20 10 FFCDRO CN1CCCc2cc(CNC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)ccc21 ZINC000816911756 1007269198 /nfs/dbraw/zinc/26/91/98/1007269198.db2.gz XMFQBOYUGAPURR-IBGZPJMESA-N 1 0 373.566 2.903 20 10 FFCDRO Cc1cc(C(=O)CN(C)C[C@@H]2CCC[N@@H+]2C)c(C)n1-c1ccc(F)cn1 ZINC000817291489 1007512900 /nfs/dbraw/zinc/51/29/00/1007512900.db2.gz IILMIRTXKNDBTQ-KRWDZBQOSA-N 1 0 358.461 2.837 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000817420774 1007594905 /nfs/dbraw/zinc/59/49/05/1007594905.db2.gz ZRPUTEFXBXQONM-MRXNPFEDSA-N 1 0 368.510 2.866 20 10 FFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000817575215 1007655107 /nfs/dbraw/zinc/65/51/07/1007655107.db2.gz GGGUSLRZGMFCHP-WMZOPIPTSA-N 1 0 359.514 2.826 20 10 FFCDRO Cc1c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)nnn1-c1ccccc1 ZINC000817938095 1007817552 /nfs/dbraw/zinc/81/75/52/1007817552.db2.gz DJQIOGLMLRJUEK-QRWLVFNGSA-N 1 0 364.497 2.992 20 10 FFCDRO COC(=O)COc1ccccc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944308 1007820055 /nfs/dbraw/zinc/82/00/55/1007820055.db2.gz ZBSDUWKSOFIHLD-DNVCBOLYSA-N 1 0 371.481 2.655 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21 ZINC000817999940 1007830286 /nfs/dbraw/zinc/83/02/86/1007830286.db2.gz ZKAUQVXKWXQNBZ-CRAIPNDOSA-N 1 0 370.522 2.872 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000818117211 1007867660 /nfs/dbraw/zinc/86/76/60/1007867660.db2.gz WIFRRWNJFOZBNK-LAUBAEHRSA-N 1 0 367.493 2.941 20 10 FFCDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000818953324 1007991518 /nfs/dbraw/zinc/99/15/18/1007991518.db2.gz GMGGPSUPIZDIIF-LJQANCHMSA-N 1 0 371.437 2.725 20 10 FFCDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000818985246 1008001393 /nfs/dbraw/zinc/00/13/93/1008001393.db2.gz PMKABYHZFXZWCG-UHFFFAOYSA-N 1 0 360.498 2.643 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000819003424 1008005608 /nfs/dbraw/zinc/00/56/08/1008005608.db2.gz WAYXBHIGBDAEGI-GOSISDBHSA-N 1 0 374.456 2.833 20 10 FFCDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094173 1008032220 /nfs/dbraw/zinc/03/22/20/1008032220.db2.gz ARGMKRANQQMGBB-OAQYLSRUSA-N 1 0 366.461 2.795 20 10 FFCDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819076749 1008038311 /nfs/dbraw/zinc/03/83/11/1008038311.db2.gz FLWGJFQQYICOPD-FQEVSTJZSA-N 1 0 356.466 2.793 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120979 1008048015 /nfs/dbraw/zinc/04/80/15/1008048015.db2.gz RYZPUIKFHGROLZ-NVXWUHKLSA-N 1 0 372.456 2.880 20 10 FFCDRO C[C@H]1CCCC[N@@H+]1CCCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165341 1008054164 /nfs/dbraw/zinc/05/41/64/1008054164.db2.gz UUKHRGXWFRUHPO-INIZCTEOSA-N 1 0 359.470 2.811 20 10 FFCDRO CC[NH+](CC)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccco1 ZINC000819164358 1008054730 /nfs/dbraw/zinc/05/47/30/1008054730.db2.gz HIGXJRMHRVBIJX-MRXNPFEDSA-N 1 0 371.437 2.833 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819379139 1008126853 /nfs/dbraw/zinc/12/68/53/1008126853.db2.gz CSYAWURJCPDHSQ-QRWLVFNGSA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3cc(C)cc(F)c3)CC2)cc1 ZINC000819460788 1008159280 /nfs/dbraw/zinc/15/92/80/1008159280.db2.gz CRTFWGSVQFTNOD-FQEVSTJZSA-N 1 0 373.472 2.738 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)C2)cc1 ZINC000819590004 1008186807 /nfs/dbraw/zinc/18/68/07/1008186807.db2.gz HYPPPXWYOWBBRA-HNNXBMFYSA-N 1 0 350.422 2.599 20 10 FFCDRO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000819900519 1008246969 /nfs/dbraw/zinc/24/69/69/1008246969.db2.gz SJEAYLFMZAUQGW-HXUWFJFHSA-N 1 0 350.462 2.944 20 10 FFCDRO CCO[C@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1)C(C)C ZINC000859261740 1008494360 /nfs/dbraw/zinc/49/43/60/1008494360.db2.gz RMNQXWGSNSHBIH-IBGZPJMESA-N 1 0 365.493 2.645 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000822237782 1008544410 /nfs/dbraw/zinc/54/44/10/1008544410.db2.gz ISUUAJZVJORTKA-LQWHRVPQSA-N 1 0 371.525 2.760 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2)cc1Cn1cccn1 ZINC001177479095 1008640907 /nfs/dbraw/zinc/64/09/07/1008640907.db2.gz DSLBFXLFVQHTBL-HXUWFJFHSA-N 1 0 365.477 2.881 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000773698821 1008705700 /nfs/dbraw/zinc/70/57/00/1008705700.db2.gz CGSWXGCAEHHALQ-VQTJNVASSA-N 1 0 373.541 2.850 20 10 FFCDRO CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886747067 1008857042 /nfs/dbraw/zinc/85/70/42/1008857042.db2.gz KHKUETTXJBXDRH-UHFFFAOYSA-N 1 0 372.557 2.741 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccc(O)c1 ZINC000886747512 1008858259 /nfs/dbraw/zinc/85/82/59/1008858259.db2.gz WPFXFWLCRRGNGX-OAHLLOKOSA-N 1 0 353.466 2.945 20 10 FFCDRO COC1([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000886751055 1008859232 /nfs/dbraw/zinc/85/92/32/1008859232.db2.gz GNBJHTHQMFOJFF-INIZCTEOSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC000823629453 1009146430 /nfs/dbraw/zinc/14/64/30/1009146430.db2.gz VYIQQUWYSAYURT-DLBZAZTESA-N 1 0 362.518 2.549 20 10 FFCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000823851330 1009254452 /nfs/dbraw/zinc/25/44/52/1009254452.db2.gz KOHSUIRAXIUQBW-UHFFFAOYSA-N 1 0 374.506 2.528 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)N(C)C)cc1 ZINC001179752394 1009440501 /nfs/dbraw/zinc/44/05/01/1009440501.db2.gz SRQKXJWAFUULMT-IBGZPJMESA-N 1 0 355.482 2.916 20 10 FFCDRO Cc1ccc2n[nH]cc2c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001180178808 1009572555 /nfs/dbraw/zinc/57/25/55/1009572555.db2.gz DPJOOECAOHKYGX-IBGZPJMESA-N 1 0 365.481 2.970 20 10 FFCDRO Oc1c(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)ccc2ccccc21 ZINC000862536295 1009867209 /nfs/dbraw/zinc/86/72/09/1009867209.db2.gz JILKJJJTARAAKA-HXUWFJFHSA-N 1 0 363.461 2.931 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](c4ccco4)C3)cc2)CC1 ZINC000889669439 1010047803 /nfs/dbraw/zinc/04/78/03/1010047803.db2.gz JVZPIYRBKZEETE-SFHVURJKSA-N 1 0 368.481 2.731 20 10 FFCDRO CCN(CCC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670616 1010048687 /nfs/dbraw/zinc/04/86/87/1010048687.db2.gz VXYUKANRNVZYHC-UHFFFAOYSA-N 1 0 372.435 2.922 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889772880 1010105151 /nfs/dbraw/zinc/10/51/51/1010105151.db2.gz CMVOWIPCUZNKNO-SJORKVTESA-N 1 0 373.522 2.827 20 10 FFCDRO C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000119576284 1010283789 /nfs/dbraw/zinc/28/37/89/1010283789.db2.gz GOMARGQLLREMTD-JXFKEZNVSA-N 1 0 353.466 2.791 20 10 FFCDRO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 ZINC000794607873 1010439915 /nfs/dbraw/zinc/43/99/15/1010439915.db2.gz WHIGADRYMYFMDH-YADHBBJMSA-N 1 0 369.509 2.717 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000794707644 1010552596 /nfs/dbraw/zinc/55/25/96/1010552596.db2.gz VYIMUHJTNACLGC-SZNDQCEHSA-N 1 0 371.433 2.712 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cn(C4CC4)cn3)cc2F)CC1 ZINC000865455984 1010790471 /nfs/dbraw/zinc/79/04/71/1010790471.db2.gz CYJSFUOEMAAPHT-UHFFFAOYSA-N 1 0 357.477 2.789 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnn3CC3CCC3)cc2)CC1 ZINC000865631982 1010831388 /nfs/dbraw/zinc/83/13/88/1010831388.db2.gz JZBHAYJDTYPGTN-UHFFFAOYSA-N 1 0 354.498 2.934 20 10 FFCDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865714834 1010847942 /nfs/dbraw/zinc/84/79/42/1010847942.db2.gz XWKYUVVAUATVSG-NRFANRHFSA-N 1 0 358.457 2.746 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1F ZINC000865814537 1010868248 /nfs/dbraw/zinc/86/82/48/1010868248.db2.gz JWUGOLGFAONTRB-UHFFFAOYSA-N 1 0 374.435 2.846 20 10 FFCDRO CCC1([NH+]2CCCC2)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000866024224 1010909762 /nfs/dbraw/zinc/90/97/62/1010909762.db2.gz QZZWNSNCPKENCW-UHFFFAOYSA-N 1 0 374.441 2.771 20 10 FFCDRO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000866494211 1011003969 /nfs/dbraw/zinc/00/39/69/1011003969.db2.gz LOOBJJHSAXZBJB-AWEZNQCLSA-N 1 0 373.888 2.506 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000121904430 1011112524 /nfs/dbraw/zinc/11/25/24/1011112524.db2.gz SFXAPPDDAJDBDH-UHFFFAOYSA-N 1 0 366.465 2.756 20 10 FFCDRO O=C1N(CC(F)F)CC[C@]12CCC[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001275035335 1011840759 /nfs/dbraw/zinc/84/07/59/1011840759.db2.gz RGAFTAPTIKZCPU-GOSISDBHSA-N 1 0 354.397 2.568 20 10 FFCDRO CCCC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001275105661 1011941551 /nfs/dbraw/zinc/94/15/51/1011941551.db2.gz GCAVCCPLWNODTN-OAQYLSRUSA-N 1 0 357.498 2.894 20 10 FFCDRO CC(C)(C)C(=O)CN1CCC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC001275228216 1012108142 /nfs/dbraw/zinc/10/81/42/1012108142.db2.gz YCVLVPSUXKACOM-UHFFFAOYSA-N 1 0 358.482 2.822 20 10 FFCDRO CC(C)(C)C(=O)OCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001275231515 1012111491 /nfs/dbraw/zinc/11/14/91/1012111491.db2.gz BSCWGSCPGNXAEO-HZPDHXFCSA-N 1 0 360.454 2.504 20 10 FFCDRO O=C(NCc1ccncc1)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275231852 1012112411 /nfs/dbraw/zinc/11/24/11/1012112411.db2.gz HRUOMOXFZJOABM-SFHVURJKSA-N 1 0 351.450 2.706 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CC4CCOCC4)C3=O)C2)c1 ZINC001275238971 1012121964 /nfs/dbraw/zinc/12/19/64/1012121964.db2.gz NUXFOEIEVUQUOO-OAQYLSRUSA-N 1 0 358.482 2.552 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)c1O ZINC001275244696 1012134837 /nfs/dbraw/zinc/13/48/37/1012134837.db2.gz OCIAEWAEEIIMPG-CQSZACIVSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001275254864 1012147912 /nfs/dbraw/zinc/14/79/12/1012147912.db2.gz WVIHDWKKRFABBU-KRWDZBQOSA-N 1 0 372.387 2.920 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001275253739 1012152873 /nfs/dbraw/zinc/15/28/73/1012152873.db2.gz FXCAMOVLDBQMDZ-VLIAUNLRSA-N 1 0 360.454 2.540 20 10 FFCDRO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1O ZINC001275253882 1012153309 /nfs/dbraw/zinc/15/33/09/1012153309.db2.gz HOEKGXQTBRKDMJ-HZPDHXFCSA-N 1 0 352.862 2.647 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173051022 1012210435 /nfs/dbraw/zinc/21/04/35/1012210435.db2.gz MZSRIDOCJGWPNC-MRRJBJDNSA-N 1 0 366.458 2.509 20 10 FFCDRO OCC[C@@]1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOC1 ZINC000796360868 1012360597 /nfs/dbraw/zinc/36/05/97/1012360597.db2.gz QPHLGEKKCRNTML-JOCHJYFZSA-N 1 0 352.478 2.880 20 10 FFCDRO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001275388227 1012411832 /nfs/dbraw/zinc/41/18/32/1012411832.db2.gz ONUNXGYBAYPKSM-UHFFFAOYSA-N 1 0 360.498 2.942 20 10 FFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cc(OC)cc1OC ZINC001275436800 1012462150 /nfs/dbraw/zinc/46/21/50/1012462150.db2.gz QMICVNAXOBDIKA-KBRIMQKVSA-N 1 0 362.470 2.773 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2F)C[C@@H](C)O1 ZINC000870869442 1012612727 /nfs/dbraw/zinc/61/27/27/1012612727.db2.gz SHEMYOQCAJVDNH-MUIFIZLQSA-N 1 0 363.477 2.573 20 10 FFCDRO Cc1cccc(C[NH2+]C2CCN(CC(=O)OCc3ccccc3)CC2)c1O ZINC001173463929 1012636000 /nfs/dbraw/zinc/63/60/00/1012636000.db2.gz RNVMUWZMNOLOGD-UHFFFAOYSA-N 1 0 368.477 2.998 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1 ZINC000870933805 1012643324 /nfs/dbraw/zinc/64/33/24/1012643324.db2.gz XTCCBWCRHZLIGH-SUTQANCOSA-N 1 0 357.498 2.654 20 10 FFCDRO O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001275671650 1012816107 /nfs/dbraw/zinc/81/61/07/1012816107.db2.gz ISYNQUPOQPKRPE-KRWDZBQOSA-N 1 0 372.387 2.865 20 10 FFCDRO CN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001275673509 1012821118 /nfs/dbraw/zinc/82/11/18/1012821118.db2.gz ZQUXPTQVVMGWLB-NQIIRXRSSA-N 1 0 352.434 2.546 20 10 FFCDRO COc1cc(CN2CCC[C@]23CCN(CC=C(C)C)C3=O)cc(O)c1O ZINC001275676591 1012831667 /nfs/dbraw/zinc/83/16/67/1012831667.db2.gz QMZHSNSIFZXENO-HXUWFJFHSA-N 1 0 360.454 2.640 20 10 FFCDRO Oc1ccccc1CN1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173664514 1012851280 /nfs/dbraw/zinc/85/12/80/1012851280.db2.gz VBUOYJHYWGHQBH-UHFFFAOYSA-N 1 0 371.447 2.973 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001275772081 1012991781 /nfs/dbraw/zinc/99/17/81/1012991781.db2.gz XALUJVUKSBDTHH-QAPCUYQASA-N 1 0 358.482 2.705 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)cc1 ZINC000828352841 1032676551 /nfs/dbraw/zinc/67/65/51/1032676551.db2.gz FRHMBCLIBFERKE-OAQYLSRUSA-N 1 0 365.477 2.667 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]([NH3+])c3ccccc3C)CC2)cc1 ZINC000828353868 1032676780 /nfs/dbraw/zinc/67/67/80/1032676780.db2.gz YKGOHYGMQFTFAX-FQEVSTJZSA-N 1 0 353.466 2.789 20 10 FFCDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000924908139 1017541986 /nfs/dbraw/zinc/54/19/86/1017541986.db2.gz UKENPBUYLAVJCB-DZGCQCFKSA-N 1 0 367.440 2.904 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)cc1 ZINC000827458485 1018116660 /nfs/dbraw/zinc/11/66/60/1018116660.db2.gz FFIPTNOQWGQNIG-OAQYLSRUSA-N 1 0 365.477 2.621 20 10 FFCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926877876 1018277863 /nfs/dbraw/zinc/27/78/63/1018277863.db2.gz OUMQWZTWXMATGC-ZDUSSCGKSA-N 1 0 356.470 2.844 20 10 FFCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000389811228 1019694603 /nfs/dbraw/zinc/69/46/03/1019694603.db2.gz ZFQNTFOFVWIQJB-TZMCWYRMSA-N 1 0 364.442 2.856 20 10 FFCDRO COC(=O)c1cncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000929969801 1019782648 /nfs/dbraw/zinc/78/26/48/1019782648.db2.gz DDDVAMBEMSIRLQ-GOSISDBHSA-N 1 0 356.422 2.755 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 ZINC000390535534 1019850452 /nfs/dbraw/zinc/85/04/52/1019850452.db2.gz KYEBESNPAPKDJE-INIZCTEOSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1F ZINC000800226197 1020121716 /nfs/dbraw/zinc/12/17/16/1020121716.db2.gz ZKJFXMZRTPJOOX-KRWDZBQOSA-N 1 0 371.456 2.826 20 10 FFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000800477049 1020345361 /nfs/dbraw/zinc/34/53/61/1020345361.db2.gz QNLPQHWIFUFUET-NLWGTHIKSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4[C@@H]3CCCN4CCO)c2c1 ZINC000902642124 1020364277 /nfs/dbraw/zinc/36/42/77/1020364277.db2.gz FFZOWTUYFXEUND-VQTJNVASSA-N 1 0 356.466 2.585 20 10 FFCDRO CNc1ccccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000902646030 1020370393 /nfs/dbraw/zinc/37/03/93/1020370393.db2.gz DFIXPEANCAKZRL-UHFFFAOYSA-N 1 0 352.482 2.720 20 10 FFCDRO COCCC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000777998053 1020476321 /nfs/dbraw/zinc/47/63/21/1020476321.db2.gz OBGVWHBLHMUUSD-SFHVURJKSA-N 1 0 373.541 2.898 20 10 FFCDRO O=C1c2cccc(O[C@H]3C[NH2+]CCC[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217978403 1032929473 /nfs/dbraw/zinc/92/94/73/1032929473.db2.gz AZHYJRWVOFNXRT-CJNGLKHVSA-N 1 0 355.365 2.637 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000901051240 1020791522 /nfs/dbraw/zinc/79/15/22/1020791522.db2.gz AYFLHVQUJGWZNO-UHFFFAOYSA-N 1 0 361.530 2.937 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CC[NH2+]CC[C@H]3F)cccc21 ZINC001218012242 1032952246 /nfs/dbraw/zinc/95/22/46/1032952246.db2.gz IRLOXJQFPMBBPL-HIFRSBDPSA-N 1 0 355.365 2.637 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+]CC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218020527 1032956741 /nfs/dbraw/zinc/95/67/41/1032956741.db2.gz UAUCIVSIKYOUGP-JKSUJKDBSA-N 1 0 369.392 2.940 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC001116565356 1021287991 /nfs/dbraw/zinc/28/79/91/1021287991.db2.gz PWPHRPWJULUIRW-WBVHZDCISA-N 1 0 359.514 2.781 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Br)ccc1O ZINC001116651853 1021331242 /nfs/dbraw/zinc/33/12/42/1021331242.db2.gz UQAPJAVYLZVVNE-INIZCTEOSA-N 1 0 371.319 2.900 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+][C@@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218062767 1032974982 /nfs/dbraw/zinc/97/49/82/1032974982.db2.gz WHCHAWQVJOJUHC-WCQYABFASA-N 1 0 351.402 2.995 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218061695 1032976096 /nfs/dbraw/zinc/97/60/96/1032976096.db2.gz QHOCTICNENIGCQ-OLZOCXBDSA-N 1 0 351.402 2.995 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+]C[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218068774 1032977457 /nfs/dbraw/zinc/97/74/57/1032977457.db2.gz FXJVVRIEIRGEMN-ZFWWWQNUSA-N 1 0 355.365 2.555 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(O)ccc4C3)cc2F)CC1 ZINC001116824456 1021438686 /nfs/dbraw/zinc/43/86/86/1021438686.db2.gz XANDGDPKJKTATA-LJQANCHMSA-N 1 0 369.484 2.930 20 10 FFCDRO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)c1 ZINC001117642202 1021791529 /nfs/dbraw/zinc/79/15/29/1021791529.db2.gz VEGWVMXOLSNKNO-SFHVURJKSA-N 1 0 357.477 2.529 20 10 FFCDRO O=C(CC[NH2+]Cc1c(O)cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000113331447 1021893594 /nfs/dbraw/zinc/89/35/94/1021893594.db2.gz KWAGWLZRCJMJRK-UHFFFAOYSA-N 1 0 373.884 2.874 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC001118126233 1022080002 /nfs/dbraw/zinc/08/00/02/1022080002.db2.gz JRCCKJGPKGRZHE-VQTJNVASSA-N 1 0 371.525 2.650 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000043862650 1022277784 /nfs/dbraw/zinc/27/77/84/1022277784.db2.gz PPMQUJYLQWGELF-UHFFFAOYSA-N 1 0 370.497 2.692 20 10 FFCDRO CCOC(=O)[C@H](C)[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218197550 1033043543 /nfs/dbraw/zinc/04/35/43/1033043543.db2.gz QVPAHLMWGNZJSC-DOMZBBRYSA-N 1 0 360.376 2.605 20 10 FFCDRO Cc1cc(C(=O)N2CCN(C(C)(C)CO)CC2)c(C)n1-c1ccccc1C ZINC000778944443 1022559991 /nfs/dbraw/zinc/55/99/91/1022559991.db2.gz OBDBGLKUDGHTQM-UHFFFAOYSA-N 1 0 369.509 2.931 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c(O)c1OC ZINC001119966345 1023185070 /nfs/dbraw/zinc/18/50/70/1023185070.db2.gz ANRWKUZZWGXHHG-INIZCTEOSA-N 1 0 371.437 2.805 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)c(N)c2)[NH+](C)C)cc1 ZINC001120371762 1023317564 /nfs/dbraw/zinc/31/75/64/1023317564.db2.gz PWRNFUITKXOXRF-SFHVURJKSA-N 1 0 359.449 2.898 20 10 FFCDRO Cc1cc(C(=O)CN(C)CC2(O)CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000189779291 1023339208 /nfs/dbraw/zinc/33/92/08/1023339208.db2.gz DXNROJSOZMDXBT-UHFFFAOYSA-N 1 0 374.456 2.889 20 10 FFCDRO Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccc(N(C)C)cc3)c2cc1C ZINC000754349134 1023458132 /nfs/dbraw/zinc/45/81/32/1023458132.db2.gz KJOGHDDNAJIMCJ-LJQANCHMSA-N 1 0 352.482 2.870 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218401855 1033140035 /nfs/dbraw/zinc/14/00/35/1033140035.db2.gz IVAZQUHNQATGMX-DGCLKSJQSA-N 1 0 351.402 2.995 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000756458097 1023713981 /nfs/dbraw/zinc/71/39/81/1023713981.db2.gz TWYLHGAQJLLLGZ-ZBFHGGJFSA-N 1 0 370.449 2.676 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(O)c1C ZINC000756527499 1023723875 /nfs/dbraw/zinc/72/38/75/1023723875.db2.gz YZPTWKFYXCUZMT-QKKBWIMNSA-N 1 0 367.449 2.914 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000191434770 1023823448 /nfs/dbraw/zinc/82/34/48/1023823448.db2.gz FOOMTZGRQTVRSG-QGZVFWFLSA-N 1 0 369.339 2.831 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137835904 1033173562 /nfs/dbraw/zinc/17/35/62/1033173562.db2.gz QVCUGNKKSRWTMV-NRFANRHFSA-N 1 0 369.440 2.941 20 10 FFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000758429541 1024111906 /nfs/dbraw/zinc/11/19/06/1024111906.db2.gz IZIKMMGWSCPDLH-MRXNPFEDSA-N 1 0 358.530 2.941 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3cc4n(n3)C[C@H](C)NC4)cc2)CC1 ZINC001121921723 1024171568 /nfs/dbraw/zinc/17/15/68/1024171568.db2.gz UNNDXJYKWGPTCJ-INIZCTEOSA-N 1 0 367.497 2.541 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([C@H]2CCCC[NH2+]2)n1C ZINC001122005719 1024257823 /nfs/dbraw/zinc/25/78/23/1024257823.db2.gz RZICHDDVLVJUJA-MRXNPFEDSA-N 1 0 368.481 2.945 20 10 FFCDRO Nc1ccc(CC(=O)N[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC001122140051 1024378079 /nfs/dbraw/zinc/37/80/79/1024378079.db2.gz XXKVJTGWAAEVNC-SFHVURJKSA-N 1 0 351.450 2.574 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCN(CC)CC2)cc1 ZINC000759642652 1024701283 /nfs/dbraw/zinc/70/12/83/1024701283.db2.gz JMHUXWMYGQWQNY-GOSISDBHSA-N 1 0 360.546 2.517 20 10 FFCDRO Cc1cnc(OC2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)nc1 ZINC001141145801 1025523157 /nfs/dbraw/zinc/52/31/57/1025523157.db2.gz IBPMDCMXMWIRHC-UHFFFAOYSA-N 1 0 354.454 2.657 20 10 FFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141145763 1025523468 /nfs/dbraw/zinc/52/34/68/1025523468.db2.gz HQBMRNLGALXNKH-QGZVFWFLSA-N 1 0 355.438 2.572 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001141311335 1025846587 /nfs/dbraw/zinc/84/65/87/1025846587.db2.gz FGVFUHUDRLJUTK-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000837882959 1026085197 /nfs/dbraw/zinc/08/51/97/1026085197.db2.gz UHYFAAMWPKMFRD-YLJYHZDGSA-N 1 0 374.529 2.708 20 10 FFCDRO Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000839181837 1026613984 /nfs/dbraw/zinc/61/39/84/1026613984.db2.gz DHXATCNDJBZCSK-HXUWFJFHSA-N 1 0 362.477 2.806 20 10 FFCDRO COCCNC(=O)C1([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000839193813 1026617910 /nfs/dbraw/zinc/61/79/10/1026617910.db2.gz VWFYGDCPAKEDBL-UHFFFAOYSA-N 1 0 373.522 2.769 20 10 FFCDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839519181 1026712607 /nfs/dbraw/zinc/71/26/07/1026712607.db2.gz GGSFZJYXYLSHFE-HRAATJIYSA-N 1 0 361.530 2.536 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4nnc(C)[nH]4)C3)cc2)CC1 ZINC000839661869 1026782370 /nfs/dbraw/zinc/78/23/70/1026782370.db2.gz RXXJIEBBLVJSHK-QGZVFWFLSA-N 1 0 355.486 2.718 20 10 FFCDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840178211 1026998465 /nfs/dbraw/zinc/99/84/65/1026998465.db2.gz MZVHCAKDNUHTMK-QFIPXVFZSA-N 1 0 350.462 2.900 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001161134775 1028028885 /nfs/dbraw/zinc/02/88/85/1028028885.db2.gz NGUZHADPYQUIID-GHTZIAJQSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3c[nH]c(C)n3)C[C@H]2C)cc1C ZINC001103996467 1028460055 /nfs/dbraw/zinc/46/00/55/1028460055.db2.gz LNGSREKDXBDISU-CRAIPNDOSA-N 1 0 370.497 2.923 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](F)Oc3ccnc(Cl)c3)cc2)CC1 ZINC001156655760 1029290456 /nfs/dbraw/zinc/29/04/56/1029290456.db2.gz JGPSDLCMMVEPKI-GOSISDBHSA-N 1 0 364.852 2.909 20 10 FFCDRO CCN(CC)c1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156657487 1029293192 /nfs/dbraw/zinc/29/31/92/1029293192.db2.gz LLKZQZFPSHAQGT-UHFFFAOYSA-N 1 0 354.502 2.687 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000840976297 1029957680 /nfs/dbraw/zinc/95/76/80/1029957680.db2.gz UTAPUKXXKHETCL-RBBKRZOGSA-N 1 0 354.494 2.888 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@H+]3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000840997930 1029968425 /nfs/dbraw/zinc/96/84/25/1029968425.db2.gz ZBFQHSBPEPNQKJ-IHPCNDPISA-N 1 0 357.498 2.656 20 10 FFCDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000841037256 1029994368 /nfs/dbraw/zinc/99/43/68/1029994368.db2.gz ZXCGMTIKFXOILU-CQSZACIVSA-N 1 0 357.454 2.835 20 10 FFCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841041204 1029996279 /nfs/dbraw/zinc/99/62/79/1029996279.db2.gz BVFIIJVAOZGMDA-FQEVSTJZSA-N 1 0 372.488 2.518 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)cc1 ZINC000841304928 1030175410 /nfs/dbraw/zinc/17/54/10/1030175410.db2.gz RQZLWBAXCYBCIS-UHFFFAOYSA-N 1 0 354.454 2.898 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000697620061 1030305109 /nfs/dbraw/zinc/30/51/09/1030305109.db2.gz GUMUKPGDHFITMW-SKDRFNHKSA-N 1 0 350.278 2.629 20 10 FFCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742331 1030440265 /nfs/dbraw/zinc/44/02/65/1030440265.db2.gz WJZYGMDYOMZWNK-APWZRJJASA-N 1 0 362.518 2.599 20 10 FFCDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 ZINC000841749056 1030444651 /nfs/dbraw/zinc/44/46/51/1030444651.db2.gz BKIOBUCBZAOBAR-UZLBHIALSA-N 1 0 374.529 2.713 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841880790 1030519278 /nfs/dbraw/zinc/51/92/78/1030519278.db2.gz HTSSKOJWEMMPIK-YWZLYKJASA-N 1 0 352.482 3.000 20 10 FFCDRO C[C@H](NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841880464 1030519528 /nfs/dbraw/zinc/51/95/28/1030519528.db2.gz AEGLWRYBZFNKCW-RYGJVYDSSA-N 1 0 374.529 2.742 20 10 FFCDRO Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842214713 1030645952 /nfs/dbraw/zinc/64/59/52/1030645952.db2.gz QUBRGUQXXOKDAB-UHFFFAOYSA-N 1 0 373.522 2.762 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3ccccc3O)CC2)CN1c1ccsc1 ZINC001203552891 1030763820 /nfs/dbraw/zinc/76/38/20/1030763820.db2.gz UQWOVVPLCYBSLH-UHFFFAOYSA-N 1 0 358.463 2.852 20 10 FFCDRO O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccccc1O ZINC001203552667 1030764950 /nfs/dbraw/zinc/76/49/50/1030764950.db2.gz PQZLSBREOQPCAQ-NRFANRHFSA-N 1 0 351.450 2.944 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1O ZINC001203591955 1030774424 /nfs/dbraw/zinc/77/44/24/1030774424.db2.gz NZERLTBKDBRUEZ-PXNSSMCTSA-N 1 0 356.422 2.608 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(Oc3ccc(C(N)=O)cc3)CC2)c1O ZINC001203615105 1030786101 /nfs/dbraw/zinc/78/61/01/1030786101.db2.gz LSJHBCWUSXUUOR-UHFFFAOYSA-N 1 0 370.449 2.933 20 10 FFCDRO CCOc1cccc(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c1O ZINC001203609861 1030787136 /nfs/dbraw/zinc/78/71/36/1030787136.db2.gz NBWMUFGBVBQHBO-UHFFFAOYSA-N 1 0 367.449 2.534 20 10 FFCDRO Cc1cncnc1O[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC001203648775 1030803751 /nfs/dbraw/zinc/80/37/51/1030803751.db2.gz UFOCGCNSFMAHBW-AWEZNQCLSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1 ZINC001203672702 1030818157 /nfs/dbraw/zinc/81/81/57/1030818157.db2.gz BKILPENZZLPPNY-UHFFFAOYSA-N 1 0 369.465 2.667 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c1 ZINC001203673382 1030822671 /nfs/dbraw/zinc/82/26/71/1030822671.db2.gz XDYMKGKGTUOLOV-MJGOQNOKSA-N 1 0 353.466 2.750 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723468 1030925412 /nfs/dbraw/zinc/92/54/12/1030925412.db2.gz DSEDIZPFWPPDOC-DUMMIQTOSA-N 1 0 372.490 2.590 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877668 1030953790 /nfs/dbraw/zinc/95/37/90/1030953790.db2.gz VVNXMIHAONEUSQ-NRFANRHFSA-N 1 0 367.449 2.508 20 10 FFCDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)cc1 ZINC001203884558 1030958736 /nfs/dbraw/zinc/95/87/36/1030958736.db2.gz UVYVXMONXILTQP-SFHVURJKSA-N 1 0 370.449 2.891 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cc1 ZINC001203932109 1030992194 /nfs/dbraw/zinc/99/21/94/1030992194.db2.gz SDQMSSHDWKMTTA-FPOVZHCZSA-N 1 0 353.466 2.960 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cscn4)CC[C@@H]3C2)cc1 ZINC001203934470 1030992901 /nfs/dbraw/zinc/99/29/01/1030992901.db2.gz ZOTNIQNMORIYOH-SJORKVTESA-N 1 0 370.522 2.803 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000842852550 1030995535 /nfs/dbraw/zinc/99/55/35/1030995535.db2.gz OPNIRXQPZNFUAB-QGZVFWFLSA-N 1 0 356.422 2.902 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccc3F)cc2)CC1 ZINC000843066281 1031170352 /nfs/dbraw/zinc/17/03/52/1031170352.db2.gz UBVPVPOLWTXSEI-NRFANRHFSA-N 1 0 358.457 2.858 20 10 FFCDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204273275 1031198861 /nfs/dbraw/zinc/19/88/61/1031198861.db2.gz MJVZBMROYFYUQN-UHFFFAOYSA-N 1 0 356.422 2.819 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001204272507 1031199320 /nfs/dbraw/zinc/19/93/20/1031199320.db2.gz BZZHYIBESJWPIF-TZIWHRDSSA-N 1 0 370.449 2.943 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c(O)c1 ZINC001204272492 1031199714 /nfs/dbraw/zinc/19/97/14/1031199714.db2.gz BMJJJJSCQDIDSB-PZJWPPBQSA-N 1 0 370.449 2.833 20 10 FFCDRO COc1cc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc(O)c1O ZINC001204343899 1031240915 /nfs/dbraw/zinc/24/09/15/1031240915.db2.gz BOMNMGRHUDMIPE-QZTJIDSGSA-N 1 0 354.450 2.813 20 10 FFCDRO COc1cc(C[NH+]2CCCN(C(=O)OC(C)(C)C)CCC2)cc(O)c1O ZINC001204349401 1031245779 /nfs/dbraw/zinc/24/57/79/1031245779.db2.gz SGULLJIRXCUKMV-UHFFFAOYSA-N 1 0 366.458 2.939 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(O)c1 ZINC000798104465 1031307949 /nfs/dbraw/zinc/30/79/49/1031307949.db2.gz DSWYLFIZUCUJKP-KRWDZBQOSA-N 1 0 361.486 2.997 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H](C[NH3+])C[C@H]2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843362774 1031355448 /nfs/dbraw/zinc/35/54/48/1031355448.db2.gz QGXWUBJPSOSXRN-CJNGLKHVSA-N 1 0 369.465 2.675 20 10 FFCDRO C[NH+](C)CCCOc1ccc(-c2ccn(Cc3ccncc3)c(=O)c2)cn1 ZINC001205256364 1031633704 /nfs/dbraw/zinc/63/37/04/1031633704.db2.gz YXDXUTLAIFFEIA-UHFFFAOYSA-N 1 0 364.449 2.684 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000829764113 1033326333 /nfs/dbraw/zinc/32/63/33/1033326333.db2.gz GSFVAWUZQHQRGF-IBGZPJMESA-N 1 0 350.466 2.729 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccc(Cl)cn1 ZINC000829999319 1033424370 /nfs/dbraw/zinc/42/43/70/1033424370.db2.gz ZBVSGHAJCNONDA-CRAIPNDOSA-N 1 0 372.900 2.961 20 10 FFCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219191031 1033547714 /nfs/dbraw/zinc/54/77/14/1033547714.db2.gz FTAARUXDMNXOGA-OAHLLOKOSA-N 1 0 364.453 2.954 20 10 FFCDRO COc1ccc(O)c(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000830544286 1033667085 /nfs/dbraw/zinc/66/70/85/1033667085.db2.gz NTJMXWSPPWRWOZ-IBGZPJMESA-N 1 0 354.450 2.897 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001219653309 1033733510 /nfs/dbraw/zinc/73/35/10/1033733510.db2.gz CLTRXVMCDIISFT-UONOGXRCSA-N 1 0 358.511 2.852 20 10 FFCDRO O=C1C[C@@]2(CN1C1COC1)CCCC[N@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967402 1033862707 /nfs/dbraw/zinc/86/27/07/1033862707.db2.gz LTCPGJAYBRYJOV-GOSISDBHSA-N 1 0 368.836 2.541 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000831104434 1033950133 /nfs/dbraw/zinc/95/01/33/1033950133.db2.gz VOIPPGQKOFVRBM-UHFFFAOYSA-N 1 0 370.522 2.698 20 10 FFCDRO Cc1c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c2ccccc2n1C ZINC001138256644 1034027041 /nfs/dbraw/zinc/02/70/41/1034027041.db2.gz DZDRJFZMIZNBON-UHFFFAOYSA-N 1 0 369.509 2.994 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000831561207 1034124930 /nfs/dbraw/zinc/12/49/30/1034124930.db2.gz LIHPKRFZTFTNCC-PMOLBWCYSA-N 1 0 353.510 2.881 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c1O ZINC001277025944 1034169539 /nfs/dbraw/zinc/16/95/39/1034169539.db2.gz INVXKWBMPFRKCF-LJQANCHMSA-N 1 0 359.401 2.595 20 10 FFCDRO CC(=O)N1CCC([N@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340640 1034170202 /nfs/dbraw/zinc/17/02/02/1034170202.db2.gz XZGFKSMMLVDVRL-UHFFFAOYSA-N 1 0 357.498 2.534 20 10 FFCDRO Oc1c(C[NH+]2CCC(N3CC(F)C3)CC2)cc2c3c1CCCN3CCC2 ZINC001138339815 1034171215 /nfs/dbraw/zinc/17/12/15/1034171215.db2.gz LDUWHFKJMVLYQP-UHFFFAOYSA-N 1 0 359.489 2.709 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)C1CCCC1 ZINC001138497644 1034336243 /nfs/dbraw/zinc/33/62/43/1034336243.db2.gz LXHOXBYTOKSVJT-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO C[N@H+](C1CCOCC1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499110 1034338530 /nfs/dbraw/zinc/33/85/30/1034338530.db2.gz XLYMMAIPAROLMI-UHFFFAOYSA-N 1 0 373.541 2.598 20 10 FFCDRO C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267273 1034689841 /nfs/dbraw/zinc/68/98/41/1034689841.db2.gz PFGBOHWZIUGONX-OXJNMPFZSA-N 1 0 355.482 2.974 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000832267604 1034689913 /nfs/dbraw/zinc/68/99/13/1034689913.db2.gz XHSWFACSFGPECU-OAQYLSRUSA-N 1 0 367.493 2.826 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000832272943 1034694839 /nfs/dbraw/zinc/69/48/39/1034694839.db2.gz KFUDFTKSBNHWTB-VQIMIIECSA-N 1 0 353.466 2.825 20 10 FFCDRO CCCN(CC)c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832278146 1034697048 /nfs/dbraw/zinc/69/70/48/1034697048.db2.gz AYZDOLDMXOYYNT-IBGZPJMESA-N 1 0 369.513 2.814 20 10 FFCDRO COc1ccc(C2(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)CCC2)cc1 ZINC000832280767 1034699419 /nfs/dbraw/zinc/69/94/19/1034699419.db2.gz QUKGTEAQOFOYQM-HXUWFJFHSA-N 1 0 367.493 2.999 20 10 FFCDRO CC(C)n1ncc2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cnc21 ZINC000832293270 1034707204 /nfs/dbraw/zinc/70/72/04/1034707204.db2.gz TVNHWSLTDBHNPY-GOSISDBHSA-N 1 0 366.469 2.508 20 10 FFCDRO COc1ccc(OC)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1N ZINC001139273325 1035037638 /nfs/dbraw/zinc/03/76/38/1035037638.db2.gz UNIOXTJVUJUZDQ-UHFFFAOYSA-N 1 0 371.481 2.755 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cccnn4)C3)C2)cc1 ZINC001139968882 1035293054 /nfs/dbraw/zinc/29/30/54/1035293054.db2.gz BQYPBKLXTBUBPH-NRFANRHFSA-N 1 0 368.481 2.604 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cc(F)ccc4O)CC[N@@H+]3C2)n1 ZINC001140063515 1035328172 /nfs/dbraw/zinc/32/81/72/1035328172.db2.gz QUVIPCNXXPQGJG-UXHICEINSA-N 1 0 371.456 2.710 20 10 FFCDRO Cc1ccnc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC001140102172 1035341592 /nfs/dbraw/zinc/34/15/92/1035341592.db2.gz KFQDWHNQKIAESM-GFCCVEGCSA-N 1 0 364.243 2.906 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@@H]21 ZINC001140102541 1035343212 /nfs/dbraw/zinc/34/32/12/1035343212.db2.gz RIZYYLYUABUESV-FZMZJTMJSA-N 1 0 353.260 2.597 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c1O ZINC001140179765 1035369703 /nfs/dbraw/zinc/36/97/03/1035369703.db2.gz OONFGYZJZITDRY-NRFANRHFSA-N 1 0 368.481 2.762 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001140178939 1035369888 /nfs/dbraw/zinc/36/98/88/1035369888.db2.gz DHVFPAZPUAGDOJ-KNQAVFIVSA-N 1 0 365.477 2.932 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1O ZINC001140180905 1035370660 /nfs/dbraw/zinc/37/06/60/1035370660.db2.gz ODUSUNORKXVIGS-OAQYLSRUSA-N 1 0 368.481 2.670 20 10 FFCDRO O=C(COc1ccc(CC[NH2+][C@H]2CCc3cccc(O)c32)cc1)NC1CC1 ZINC000834523020 1035403529 /nfs/dbraw/zinc/40/35/29/1035403529.db2.gz NOBSDBMGSUYEHJ-IBGZPJMESA-N 1 0 366.461 2.869 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cc2)CC1 ZINC001140285609 1035419062 /nfs/dbraw/zinc/41/90/62/1035419062.db2.gz BJFKFVCYCGWRTD-NRFANRHFSA-N 1 0 353.466 2.696 20 10 FFCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)o1 ZINC001140286233 1035419458 /nfs/dbraw/zinc/41/94/58/1035419458.db2.gz BOWAQMARUMQNQY-UHFFFAOYSA-N 1 0 370.497 2.973 20 10 FFCDRO Oc1cccc(Cl)c1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001140338977 1035443697 /nfs/dbraw/zinc/44/36/97/1035443697.db2.gz BWFGVASYPRJTNH-IAGOWNOFSA-N 1 0 373.884 2.916 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)[C@@H](COC)C1=O ZINC001140339603 1035444002 /nfs/dbraw/zinc/44/40/02/1035444002.db2.gz JGVBXKKNOQGYOY-HNNXBMFYSA-N 1 0 366.889 2.753 20 10 FFCDRO CN(C)c1ccc(/C=C\CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 ZINC000835026649 1035489688 /nfs/dbraw/zinc/48/96/88/1035489688.db2.gz WSAVNILSBPCPHH-JKTFDMFLSA-N 1 0 371.525 2.869 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232199885 1035496247 /nfs/dbraw/zinc/49/62/47/1035496247.db2.gz KQIQSPNUJIZTJD-HNNXBMFYSA-N 1 0 352.862 2.704 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]21 ZINC001232257717 1035528870 /nfs/dbraw/zinc/52/88/70/1035528870.db2.gz IMXMOSRIRFQUPR-HBYGRHMLSA-N 1 0 354.834 2.706 20 10 FFCDRO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)CC[C@@H]21 ZINC001232260363 1035531810 /nfs/dbraw/zinc/53/18/10/1035531810.db2.gz WBYQMCBLFXTWPN-WFASDCNBSA-N 1 0 352.862 2.830 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(OC)cc3O)C2)n1 ZINC001232271379 1035540453 /nfs/dbraw/zinc/54/04/53/1035540453.db2.gz VBGIWRLSLRIGPS-GFCCVEGCSA-N 1 0 365.817 2.506 20 10 FFCDRO O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1cc(Cl)c(O)cc1O ZINC001277664481 1035682760 /nfs/dbraw/zinc/68/27/60/1035682760.db2.gz CCPUXSGIQOYKNB-QGZVFWFLSA-N 1 0 374.815 2.973 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC001140620189 1035745868 /nfs/dbraw/zinc/74/58/68/1035745868.db2.gz FSZCYKHWOQMOSS-VDZJLULYSA-N 1 0 355.438 2.549 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)c1 ZINC001140620951 1035749006 /nfs/dbraw/zinc/74/90/06/1035749006.db2.gz DLLKZCCRSSWPLS-NRFANRHFSA-N 1 0 366.465 2.619 20 10 FFCDRO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140623209 1035750581 /nfs/dbraw/zinc/75/05/81/1035750581.db2.gz LFMQKGACHUMJKN-FQEVSTJZSA-N 1 0 368.477 2.950 20 10 FFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)n1 ZINC001140663733 1035816022 /nfs/dbraw/zinc/81/60/22/1035816022.db2.gz NNCNXFHRURJJOT-MRXNPFEDSA-N 1 0 374.460 2.987 20 10 FFCDRO CC(=O)N1CCN(c2ccc(OC3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC001228200741 1035988470 /nfs/dbraw/zinc/98/84/70/1035988470.db2.gz JFRQJRCRESRXOO-UHFFFAOYSA-N 1 0 359.514 2.997 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c(O)c1 ZINC001232839772 1036095416 /nfs/dbraw/zinc/09/54/16/1036095416.db2.gz WSTOGAIRPSNEAO-FBBABVLZSA-N 1 0 369.465 2.664 20 10 FFCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(I)cc3O)[C@@H]2C1 ZINC001232978235 1036210509 /nfs/dbraw/zinc/21/05/09/1036210509.db2.gz CUAYZPXEJBGJFS-SMDDNHRTSA-N 1 0 372.250 2.523 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)c(O)c2)CC1 ZINC001232979676 1036213555 /nfs/dbraw/zinc/21/35/55/1036213555.db2.gz WEIYLCMZWJTHOU-CALCHBBNSA-N 1 0 373.497 2.901 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010325 1036242757 /nfs/dbraw/zinc/24/27/57/1036242757.db2.gz OQVPTKHEZBFZKU-ZDUSSCGKSA-N 1 0 352.431 2.683 20 10 FFCDRO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001233012235 1036244816 /nfs/dbraw/zinc/24/48/16/1036244816.db2.gz KEALFJLSCPUDLX-LJQANCHMSA-N 1 0 374.462 2.884 20 10 FFCDRO O=C1N(CC2CCCC2)CCC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233012157 1036245834 /nfs/dbraw/zinc/24/58/34/1036245834.db2.gz MNBNNIIZHFTJNQ-UHFFFAOYSA-N 1 0 374.481 2.808 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2Cc3ccnn3C[C@H](COC)C2)c(O)c1 ZINC001140852329 1036284712 /nfs/dbraw/zinc/28/47/12/1036284712.db2.gz KHBLPDDMQQRYHS-MRXNPFEDSA-N 1 0 358.486 2.713 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c(O)c1 ZINC001140855660 1036292215 /nfs/dbraw/zinc/29/22/15/1036292215.db2.gz HKXBGQFWXWFFTJ-UHFFFAOYSA-N 1 0 361.530 2.925 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(N(CC)CC)cc2O)CC1 ZINC001140855430 1036292291 /nfs/dbraw/zinc/29/22/91/1036292291.db2.gz YOURFBGTTFNBLA-KRWDZBQOSA-N 1 0 362.470 2.583 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c(O)c1 ZINC001140857061 1036294633 /nfs/dbraw/zinc/29/46/33/1036294633.db2.gz LKTKZCCWPFJBIK-KRWDZBQOSA-N 1 0 372.469 2.690 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1Br ZINC001233141145 1036389286 /nfs/dbraw/zinc/38/92/86/1036389286.db2.gz BZNXLNNUZRGNRY-CMPLNLGQSA-N 1 0 354.244 2.964 20 10 FFCDRO CCCNC(=O)COC1CC[NH+](Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925502 1036464400 /nfs/dbraw/zinc/46/44/00/1036464400.db2.gz CCHYLQMRYRXHQC-UHFFFAOYSA-N 1 0 367.921 2.913 20 10 FFCDRO CCOC(=O)c1c(CN2CCc3c(cnn3C)C2)c2ccccc2n1C ZINC001233273213 1036480780 /nfs/dbraw/zinc/48/07/80/1036480780.db2.gz SNCQCEPOBOHILI-UHFFFAOYSA-N 1 0 352.438 2.647 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@H]2CC(=O)OC)c2ccccc2n1C ZINC001233272853 1036480823 /nfs/dbraw/zinc/48/08/23/1036480823.db2.gz DSTSHXOFNFIZLH-AWEZNQCLSA-N 1 0 358.438 2.883 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc4c3CCO4)CC2)c(OC)c1 ZINC001233278163 1036484693 /nfs/dbraw/zinc/48/46/93/1036484693.db2.gz GQMHGFGOBFECIH-UHFFFAOYSA-N 1 0 354.450 2.961 20 10 FFCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]21 ZINC001233285725 1036492740 /nfs/dbraw/zinc/49/27/40/1036492740.db2.gz RLKDXWZJYINMTM-QRQLOZEOSA-N 1 0 374.525 2.909 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c(O)c1 ZINC001140949650 1036546362 /nfs/dbraw/zinc/54/63/62/1036546362.db2.gz GFESEUQBNLBWJN-GOSISDBHSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](CNC(=O)C(C)C)O3)c(O)c1 ZINC001140950547 1036548542 /nfs/dbraw/zinc/54/85/42/1036548542.db2.gz YEDJUYSAYZJORU-GHTZIAJQSA-N 1 0 360.498 2.986 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNC(=O)C(C)C)O3)c(O)c1 ZINC001140950548 1036549273 /nfs/dbraw/zinc/54/92/73/1036549273.db2.gz YEDJUYSAYZJORU-WIYYLYMNSA-N 1 0 360.498 2.986 20 10 FFCDRO COc1cnc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)nc1 ZINC001233455395 1036633373 /nfs/dbraw/zinc/63/33/73/1036633373.db2.gz JDYCUIZQTONZQV-CYBMUJFWSA-N 1 0 369.343 2.863 20 10 FFCDRO CC[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233487333 1036654958 /nfs/dbraw/zinc/65/49/58/1036654958.db2.gz ZMPOZUMRPRDOGP-CYBMUJFWSA-N 1 0 366.458 2.882 20 10 FFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1c1ccccc1 ZINC001233486299 1036656330 /nfs/dbraw/zinc/65/63/30/1036656330.db2.gz HNDMHRSAMWNSJH-IRXDYDNUSA-N 1 0 371.433 2.972 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c(OC)c1 ZINC001141029318 1036769978 /nfs/dbraw/zinc/76/99/78/1036769978.db2.gz PPDDSEYHNPKGPA-MRXNPFEDSA-N 1 0 363.376 2.935 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)C1=O ZINC001277814214 1036797156 /nfs/dbraw/zinc/79/71/56/1036797156.db2.gz YHWWQOQNOWWTPM-VBKZILBWSA-N 1 0 362.470 2.775 20 10 FFCDRO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)cc(OC)c2O)C1=O ZINC001277422330 1036914360 /nfs/dbraw/zinc/91/43/60/1036914360.db2.gz PMHSCQJZSKIVCI-HXUWFJFHSA-N 1 0 362.470 2.776 20 10 FFCDRO COC[C@@H]1CN(Cc2cc3c4c(c2)CCCN4CCC3)Cc2ncn(C)c21 ZINC001141075352 1036922092 /nfs/dbraw/zinc/92/20/92/1036922092.db2.gz NUHIFNDWXZGFHS-IBGZPJMESA-N 1 0 366.509 2.865 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c(Cl)c1 ZINC001277833419 1036930401 /nfs/dbraw/zinc/93/04/01/1036930401.db2.gz IAWYVTGVLDPJKX-SFHVURJKSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](Oc4cnccn4)C3)c2c1 ZINC001234568749 1037092589 /nfs/dbraw/zinc/09/25/89/1037092589.db2.gz BXCCOORRZKADSR-INIZCTEOSA-N 1 0 351.406 2.997 20 10 FFCDRO CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001230310582 1037214240 /nfs/dbraw/zinc/21/42/40/1037214240.db2.gz SXUSATXLGFKOEI-APHBMKBZSA-N 1 0 361.446 2.515 20 10 FFCDRO C[N@@H+]1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC001230458901 1037286500 /nfs/dbraw/zinc/28/65/00/1037286500.db2.gz UUORFWYFJOPWBH-WMZOPIPTSA-N 1 0 361.392 2.915 20 10 FFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001235066570 1037340679 /nfs/dbraw/zinc/34/06/79/1037340679.db2.gz KWQUPCADQLKXPS-PJXYFTJBSA-N 1 0 358.207 2.535 20 10 FFCDRO FC(F)(F)[C@]12C[NH2+]C[C@H]1CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001235231054 1037424218 /nfs/dbraw/zinc/42/42/18/1037424218.db2.gz MYPGIMALIQJIFH-HKUYNNGSSA-N 1 0 365.443 2.969 20 10 FFCDRO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c(O)c1 ZINC001235679487 1037677217 /nfs/dbraw/zinc/67/72/17/1037677217.db2.gz OZVFYYWZTDKRMJ-PBHICJAKSA-N 1 0 366.527 2.546 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)c1O ZINC001231591687 1037707817 /nfs/dbraw/zinc/70/78/17/1037707817.db2.gz KGUVXQPUXMPNFQ-GBESFXJTSA-N 1 0 358.482 2.550 20 10 FFCDRO CCN1C[C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]2S1(=O)=O ZINC001231588550 1037709436 /nfs/dbraw/zinc/70/94/36/1037709436.db2.gz XHKPCDMVKLYTPH-OXQOHEQNSA-N 1 0 374.506 2.791 20 10 FFCDRO COC(=O)c1cc2c(nc1N(C)C)CC[N@H+](Cc1cccc(C)c1O)CC2 ZINC001231592868 1037711971 /nfs/dbraw/zinc/71/19/71/1037711971.db2.gz PZSOXGFZIWHDHG-UHFFFAOYSA-N 1 0 369.465 2.549 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)c(O)cc1O ZINC001231637584 1037758440 /nfs/dbraw/zinc/75/84/40/1037758440.db2.gz NJYHEFRRKNWPDV-JXFKEZNVSA-N 1 0 370.449 2.730 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235849405 1037789829 /nfs/dbraw/zinc/78/98/29/1037789829.db2.gz KUTIEKPTPLRSKJ-NRFANRHFSA-N 1 0 369.484 2.679 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001231843863 1037939734 /nfs/dbraw/zinc/93/97/34/1037939734.db2.gz CBNIVXUCRHYAGT-UGKGYDQZSA-N 1 0 365.477 2.932 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(C2)CCN(C(=O)c2cccnc2)C3)c(O)c1 ZINC001231843820 1037939916 /nfs/dbraw/zinc/93/99/16/1037939916.db2.gz BMBFQXKWGHSDEJ-UHFFFAOYSA-N 1 0 351.450 2.752 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c(O)c1 ZINC001231844922 1037943528 /nfs/dbraw/zinc/94/35/28/1037943528.db2.gz RKKCRCZGRJUYKD-LJQANCHMSA-N 1 0 372.509 2.860 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001231852358 1037949036 /nfs/dbraw/zinc/94/90/36/1037949036.db2.gz JPRKRHDMQMCFMO-IAGOWNOFSA-N 1 0 369.465 2.558 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)nc2-c2cnn(CCC[NH+](C)C)c2)n1C ZINC001236150448 1037952023 /nfs/dbraw/zinc/95/20/23/1037952023.db2.gz XIBMTGWJYOZPJC-UHFFFAOYSA-N 1 0 369.469 2.874 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911484 1038006420 /nfs/dbraw/zinc/00/64/20/1038006420.db2.gz MGPUNEWOCMACKJ-OXQOHEQNSA-N 1 0 371.868 2.969 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)cc1 ZINC001231975181 1038072077 /nfs/dbraw/zinc/07/20/77/1038072077.db2.gz GBCRAKICGGGABO-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC001236750775 1038236558 /nfs/dbraw/zinc/23/65/58/1038236558.db2.gz JXPOCQFKLSEQQY-MGPUTAFESA-N 1 0 365.470 2.817 20 10 FFCDRO COc1cc(O)c(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1OC ZINC001236753307 1038240136 /nfs/dbraw/zinc/24/01/36/1038240136.db2.gz KWRUMRZDNNYLHH-IRXDYDNUSA-N 1 0 354.450 2.978 20 10 FFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)nc1 ZINC001236753048 1038240514 /nfs/dbraw/zinc/24/05/14/1038240514.db2.gz GFVSEARLSMBGMB-MRXNPFEDSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(CN2CC([NH+]3CCC(F)CC3)C2)c(O)cc1Br ZINC001236754764 1038241175 /nfs/dbraw/zinc/24/11/75/1038241175.db2.gz WDXGZFNMRSOEOL-UHFFFAOYSA-N 1 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1040660937 /nfs/dbraw/zinc/66/09/37/1040660937.db2.gz SHVVNHBLGFKXQM-PBHICJAKSA-N 1 0 366.458 2.510 20 10 FFCDRO Cc1cccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001261000361 1040923026 /nfs/dbraw/zinc/92/30/26/1040923026.db2.gz ALUVVRWPJCPAPD-UHFFFAOYSA-N 1 0 373.522 2.534 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001249729909 1040968773 /nfs/dbraw/zinc/96/87/73/1040968773.db2.gz CBUGVEWLGIYWMZ-UHFFFAOYSA-N 1 0 363.454 2.727 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c(O)c1 ZINC001249735405 1040969861 /nfs/dbraw/zinc/96/98/61/1040969861.db2.gz MWDUTZSZBRGUPA-IBGZPJMESA-N 1 0 365.470 2.971 20 10 FFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001261182126 1041053096 /nfs/dbraw/zinc/05/30/96/1041053096.db2.gz KKHJKDCSXKZSDN-IEBWSBKVSA-N 1 0 360.521 2.636 20 10 FFCDRO Oc1ccc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)c(O)c1 ZINC001254993785 1041089508 /nfs/dbraw/zinc/08/95/08/1041089508.db2.gz GVDGPQPNDNYAOR-YQQQUEKLSA-N 1 0 354.450 2.619 20 10 FFCDRO Cc1cc(CN2CC[NH+](C3CCOCC3)CC2)c(O)cc1Br ZINC001250128302 1041123798 /nfs/dbraw/zinc/12/37/98/1041123798.db2.gz BTJYOBMSMFSFCL-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)cc1Br ZINC001250128560 1041124382 /nfs/dbraw/zinc/12/43/82/1041124382.db2.gz FEYYACQLMGYAKY-ZDUSSCGKSA-N 1 0 351.248 2.892 20 10 FFCDRO O=c1cccc(C[N@H+]2CCC3(CN(Cc4cc(Cl)ccc4O)C3)C2)[nH]1 ZINC001278569399 1041211449 /nfs/dbraw/zinc/21/14/49/1041211449.db2.gz XDMVHBVAZLIBOW-UHFFFAOYSA-N 1 0 359.857 2.854 20 10 FFCDRO CCOC(=O)c1cc(CN(C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001250546695 1041244593 /nfs/dbraw/zinc/24/45/93/1041244593.db2.gz PDHIIMHYYQFLPX-UHFFFAOYSA-N 1 0 356.470 2.829 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)n1ccnc1 ZINC001261738550 1041390579 /nfs/dbraw/zinc/39/05/79/1041390579.db2.gz UYOFUDFPRQLIBF-HNNXBMFYSA-N 1 0 372.469 2.833 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)COc2ccc(F)cc2F)cc1 ZINC001250862842 1041407293 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359.495 2.551 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c(OC)c1 ZINC001279351494 1043021517 /nfs/dbraw/zinc/02/15/17/1043021517.db2.gz VHHGTDHRVJUXIU-ROUUACIJSA-N 1 0 357.454 2.586 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])cccc1F)C2 ZINC001279421368 1043094227 /nfs/dbraw/zinc/09/42/27/1043094227.db2.gz FZTKRWDPRISREI-HOCLYGCPSA-N 1 0 357.429 2.525 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CCC12C[NH2+]C2 ZINC001237428549 1043155052 /nfs/dbraw/zinc/15/50/52/1043155052.db2.gz AYHJIOROMQVLAD-GFCCVEGCSA-N 1 0 373.280 2.674 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC001237486136 1043198725 /nfs/dbraw/zinc/19/87/25/1043198725.db2.gz OKRXZKZIPFFJEN-JOCHJYFZSA-N 1 0 365.477 2.624 20 10 FFCDRO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)[C@@H]2C1 ZINC001279551730 1043247192 /nfs/dbraw/zinc/24/71/92/1043247192.db2.gz RYORVCLPQLGZGC-AZUAARDMSA-N 1 0 356.514 2.693 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)c(O)c(OC)c1 ZINC001237677144 1043305755 /nfs/dbraw/zinc/30/57/55/1043305755.db2.gz XMOCZHQSKOISOA-YLJYHZDGSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c(O)c(OC)c1 ZINC001237677563 1043305846 /nfs/dbraw/zinc/30/58/46/1043305846.db2.gz DXSNJPOCXIWMML-ROUUACIJSA-N 1 0 354.450 2.868 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)cc1Br ZINC001237683322 1043308509 /nfs/dbraw/zinc/30/85/09/1043308509.db2.gz YIBXXFBHOQIZPB-UHFFFAOYSA-N 1 0 355.232 2.538 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c(O)c(OC)c1 ZINC001237683678 1043309395 /nfs/dbraw/zinc/30/93/95/1043309395.db2.gz IJUCBKZSQHEAII-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO CCOC(=O)C1(CC)CC[NH+](Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237682465 1043309505 /nfs/dbraw/zinc/30/95/05/1043309505.db2.gz ZRTNEIYRBPNJAU-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)c2)C1 ZINC001237811839 1043373714 /nfs/dbraw/zinc/37/37/14/1043373714.db2.gz DKVPDQWRXBAIJT-UHFFFAOYSA-N 1 0 372.277 2.942 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)c(O)c1 ZINC001279664156 1043425176 /nfs/dbraw/zinc/42/51/76/1043425176.db2.gz UVBSQYFJSFTWQK-UHFFFAOYSA-N 1 0 371.403 2.734 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(C2)CCN(Cc2cc(C)nn2C)C3)c(O)c1 ZINC001279663787 1043425997 /nfs/dbraw/zinc/42/59/97/1043425997.db2.gz FLGQXIVFEBOXQH-UHFFFAOYSA-N 1 0 354.498 2.704 20 10 FFCDRO CCc1ccc(C[N@H+]2CC[C@H]3CN(Cc4nccn4CC)C[C@H]32)c(O)c1 ZINC001279664261 1043427789 /nfs/dbraw/zinc/42/77/89/1043427789.db2.gz ZJIFMEFWKAMKDT-PKOBYXMFSA-N 1 0 354.498 2.877 20 10 FFCDRO Cc1cc(F)cc(CN2CCc3onc(C(=O)N(C)C(C)C)c3C2)c1O ZINC001238063042 1043507557 /nfs/dbraw/zinc/50/75/57/1043507557.db2.gz XHBFPBNPDCREHZ-UHFFFAOYSA-N 1 0 361.417 2.866 20 10 FFCDRO Cc1cc(F)cc(CN2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1O ZINC001238061856 1043508125 /nfs/dbraw/zinc/50/81/25/1043508125.db2.gz KNFRTVNXXKTNIW-UHFFFAOYSA-N 1 0 370.350 2.971 20 10 FFCDRO Cc1cc(F)cc(CN2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC001238064738 1043510487 /nfs/dbraw/zinc/51/04/87/1043510487.db2.gz QGPDMAMVJIHOFT-UHFFFAOYSA-N 1 0 366.433 2.661 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2O)CC3)C[C@H](C)O1 ZINC001279968240 1044001565 /nfs/dbraw/zinc/00/15/65/1044001565.db2.gz IJJHGYGQOLYJOO-JZXOWHBKSA-N 1 0 358.482 2.630 20 10 FFCDRO O=C(NCc1c(F)cccc1F)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279967974 1044001928 /nfs/dbraw/zinc/00/19/28/1044001928.db2.gz CWHANBKZJRONGZ-OAHLLOKOSA-N 1 0 358.388 2.809 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N(C)C4CC(F)(F)C4)(C2)C3)c(O)c1 ZINC001279979706 1044026185 /nfs/dbraw/zinc/02/61/85/1044026185.db2.gz DZIHNXSUGAOOFA-UHFFFAOYSA-N 1 0 366.408 2.669 20 10 FFCDRO S=C(NCc1ccc(N2CC[NH2+]CC2)cc1)NCc1ccccc1Cl ZINC001239368695 1044105822 /nfs/dbraw/zinc/10/58/22/1044105822.db2.gz IOFCGMMVAJLJKY-UHFFFAOYSA-N 1 0 374.941 2.914 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001280035264 1044112392 /nfs/dbraw/zinc/11/23/92/1044112392.db2.gz PXAHCLNIYCPURQ-QGZVFWFLSA-N 1 0 359.514 2.975 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)Nc3ccc(O)cc3O)C2)c(O)c1 ZINC001280047154 1044133792 /nfs/dbraw/zinc/13/37/92/1044133792.db2.gz ZRVLGPUMDVTVAY-HNNXBMFYSA-N 1 0 354.406 2.572 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC[C@H](C(=O)N(C)C)C3)CC2)cc(O)c1O ZINC001280287942 1044548970 /nfs/dbraw/zinc/54/89/70/1044548970.db2.gz XOJUTJYIJOWUPF-HNNXBMFYSA-N 1 0 362.470 2.577 20 10 FFCDRO O=C(Nc1cn[nH]c1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292109 1044560022 /nfs/dbraw/zinc/56/00/22/1044560022.db2.gz HKIWPNFBARHWSJ-QFBILLFUSA-N 1 0 358.417 2.885 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3onc(C(=O)N4CC=CC4)c3C2)c1O ZINC001280349247 1044637865 /nfs/dbraw/zinc/63/78/65/1044637865.db2.gz DNZCPOSYFNLXIF-UHFFFAOYSA-N 1 0 353.422 2.567 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2F)CC1 ZINC001318724661 1044839216 /nfs/dbraw/zinc/83/92/16/1044839216.db2.gz RMPANCDQNUSZPX-PWIZWCRZSA-N 1 0 361.505 2.871 20 10 FFCDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001474663855 1045100719 /nfs/dbraw/zinc/10/07/19/1045100719.db2.gz STUSZNHSWZZQTQ-HXUWFJFHSA-N 1 0 365.470 2.889 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001318408550 1045293112 /nfs/dbraw/zinc/29/31/12/1045293112.db2.gz COTBDZRWOJRGSK-PMACEKPBSA-N 1 0 374.529 2.836 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2F)CC1 ZINC001319947360 1045310183 /nfs/dbraw/zinc/31/01/83/1045310183.db2.gz KPENFXVUESWVKD-IBGZPJMESA-N 1 0 360.521 2.638 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCN3C3CC3)cc2F)CC1 ZINC001320798264 1045470699 /nfs/dbraw/zinc/47/06/99/1045470699.db2.gz AYBVVYFFHIZFCN-IBGZPJMESA-N 1 0 360.521 2.684 20 10 FFCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001326688339 1047036181 /nfs/dbraw/zinc/03/61/81/1047036181.db2.gz QDBOQDBDDZRVAR-RDJZCZTQSA-N 1 0 358.511 2.919 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1 ZINC001331543813 1047993581 /nfs/dbraw/zinc/99/35/81/1047993581.db2.gz WJSACOSWEXZCAS-UHFFFAOYSA-N 1 0 351.450 2.684 20 10 FFCDRO CS(=O)(=O)C1(C[NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC001331692880 1048065067 /nfs/dbraw/zinc/06/50/67/1048065067.db2.gz CFKUKABKWTYYJA-UHFFFAOYSA-N 1 0 362.289 2.602 20 10 FFCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC001327882188 1048079248 /nfs/dbraw/zinc/07/92/48/1048079248.db2.gz XQAARUAYOHVORX-NSHDSACASA-N 1 0 364.243 2.975 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccn3C3CC3)CC2)cc1 ZINC001327947236 1048103907 /nfs/dbraw/zinc/10/39/07/1048103907.db2.gz YONHYGMADWQEEE-UHFFFAOYSA-N 1 0 354.498 2.743 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001332025545 1048216354 /nfs/dbraw/zinc/21/63/54/1048216354.db2.gz QDLBPMNKMOZBRX-ZDUSSCGKSA-N 1 0 374.250 2.657 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001332681738 1048504394 /nfs/dbraw/zinc/50/43/94/1048504394.db2.gz LEHXMQOWRTXEHB-UHFFFAOYSA-N 1 0 370.501 2.846 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@H]34)cc2F)CC1 ZINC001329113374 1048581332 /nfs/dbraw/zinc/58/13/32/1048581332.db2.gz JPZVYMRKBCITCX-PZJWPPBQSA-N 1 0 360.521 2.684 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001541081420 1071049857 /nfs/dbraw/zinc/04/98/57/1071049857.db2.gz YHIFTSMCICKDFB-LJQANCHMSA-N 1 0 361.555 2.976 20 10 FFCDRO CC[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC[N@@H+]1C ZINC001292382332 1049330121 /nfs/dbraw/zinc/33/01/21/1049330121.db2.gz QRUQDOWNIGBJSC-QHAWAJNXSA-N 1 0 373.541 2.991 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC001331258661 1049535996 /nfs/dbraw/zinc/53/59/96/1049535996.db2.gz ZSMXKNVTFFANKB-BPQIPLTHSA-N 1 0 363.452 2.736 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001295275071 1049912792 /nfs/dbraw/zinc/91/27/92/1049912792.db2.gz DWXFNNAPEOHPJC-MJGOQNOKSA-N 1 0 359.514 2.854 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2cccc(N)c2Cl)[NH+](C)C)cc1 ZINC001341512776 1050148078 /nfs/dbraw/zinc/14/80/78/1050148078.db2.gz MXOCHMXMVOPMQO-SFHVURJKSA-N 1 0 374.916 2.950 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C12CCC(CC1)[NH2+]2 ZINC001341618293 1050245562 /nfs/dbraw/zinc/24/55/62/1050245562.db2.gz HANKRLOTCYOKMA-SHYRYGCCSA-N 1 0 365.424 2.658 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001298280659 1050408073 /nfs/dbraw/zinc/40/80/73/1050408073.db2.gz HSTWCLCEHNOFOW-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1cccc(Cl)c1 ZINC001301549242 1050917285 /nfs/dbraw/zinc/91/72/85/1050917285.db2.gz YHAQNUWTXXESTM-UHFFFAOYSA-N 1 0 363.889 2.744 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340945425 1051276807 /nfs/dbraw/zinc/27/68/07/1051276807.db2.gz RQWSZIYRADTHMX-HTAPYJJXSA-N 1 0 368.477 2.987 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C12CCC(CC1)[NH2+]2 ZINC001343407888 1052212149 /nfs/dbraw/zinc/21/21/49/1052212149.db2.gz OXQSCMYIADQADO-UHFFFAOYSA-N 1 0 365.424 2.658 20 10 FFCDRO COc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OC ZINC001307157424 1052259935 /nfs/dbraw/zinc/25/99/35/1052259935.db2.gz VKUAJDVDOZRGBK-UHFFFAOYSA-N 1 0 374.441 2.965 20 10 FFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)[C@@H]1OC ZINC001307745616 1052344053 /nfs/dbraw/zinc/34/40/53/1052344053.db2.gz QZQNCRRZFANPFL-YSGRDPCXSA-N 1 0 361.530 2.798 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1Cn1cccn1 ZINC001308373878 1052451512 /nfs/dbraw/zinc/45/15/12/1052451512.db2.gz LLZACWNCWBVQPC-OAQYLSRUSA-N 1 0 365.477 2.942 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC001308433197 1052456757 /nfs/dbraw/zinc/45/67/57/1052456757.db2.gz HTQXUJULUHLHCN-LJQANCHMSA-N 1 0 358.482 2.992 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(-c3nncnn3)cc2)cc1F ZINC001308453875 1052457710 /nfs/dbraw/zinc/45/77/10/1052457710.db2.gz VLTQQIPMYPDHTM-UHFFFAOYSA-N 1 0 356.380 2.568 20 10 FFCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC001334934068 1053156051 /nfs/dbraw/zinc/15/60/51/1053156051.db2.gz CIJIFVNVSZYONI-UHFFFAOYSA-N 1 0 374.481 2.803 20 10 FFCDRO COCCOC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001335464649 1053380697 /nfs/dbraw/zinc/38/06/97/1053380697.db2.gz GEALSLGHKRRHGO-CABCVRRESA-N 1 0 358.429 2.898 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@H](O)C2CC2)NC(=O)OC(C)(C)C)cc1 ZINC001336733427 1054175411 /nfs/dbraw/zinc/17/54/11/1054175411.db2.gz QLCXRPZWEOYHSJ-ROUUACIJSA-N 1 0 363.502 2.679 20 10 FFCDRO COC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC001336751547 1054193409 /nfs/dbraw/zinc/19/34/09/1054193409.db2.gz RKKZDYWKBRPADN-QZTJIDSGSA-N 1 0 374.485 2.635 20 10 FFCDRO COC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccco1 ZINC001336751549 1054194086 /nfs/dbraw/zinc/19/40/86/1054194086.db2.gz RKKZDYWKBRPADN-ZWKOTPCHSA-N 1 0 374.485 2.635 20 10 FFCDRO S=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCC1CCC1 ZINC001336942280 1054356409 /nfs/dbraw/zinc/35/64/09/1054356409.db2.gz BRXFDKWSDZHEFT-UHFFFAOYSA-N 1 0 372.582 2.983 20 10 FFCDRO CN(CCC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001337637835 1054912975 /nfs/dbraw/zinc/91/29/75/1054912975.db2.gz SCPNVDQSANTNDR-UHFFFAOYSA-N 1 0 358.408 2.532 20 10 FFCDRO CN1CCN(c2ccc(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2F)CC1 ZINC001349326098 1055192580 /nfs/dbraw/zinc/19/25/80/1055192580.db2.gz SYPYZLPYSHNGRH-PZJWPPBQSA-N 1 0 368.500 2.504 20 10 FFCDRO C[C@H](NC(=O)c1ccccc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC001338359652 1055446053 /nfs/dbraw/zinc/44/60/53/1055446053.db2.gz WGSJYRMLCSPBRR-KRWDZBQOSA-N 1 0 366.509 2.995 20 10 FFCDRO COc1ccc([C@@H](CNC(=O)NCc2ccc(N)cc2)[NH+]2CCCC2)cc1 ZINC001338431153 1055508319 /nfs/dbraw/zinc/50/83/19/1055508319.db2.gz LXNPGPZIWISVLT-HXUWFJFHSA-N 1 0 368.481 2.914 20 10 FFCDRO C[NH+](C)CCc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000847367465 1055618833 /nfs/dbraw/zinc/61/88/33/1055618833.db2.gz QKXDUUFTRFRAKL-UHFFFAOYSA-N 1 0 353.466 2.880 20 10 FFCDRO O=C(c1cc2c(s1)C[NH2+]CC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001357484397 1055921410 /nfs/dbraw/zinc/92/14/10/1055921410.db2.gz FBQDBUOXOBBZFH-INIZCTEOSA-N 1 0 372.490 2.921 20 10 FFCDRO O=C(NCC[NH2+]Cc1c(O)cccc1Br)c1cccs1 ZINC001200214477 1056052928 /nfs/dbraw/zinc/05/29/28/1056052928.db2.gz VAPULQUFQRVQLL-UHFFFAOYSA-N 1 0 355.257 2.736 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC001351511025 1056300727 /nfs/dbraw/zinc/30/07/27/1056300727.db2.gz KDTADGIKIPXNHV-MLGOLLRUSA-N 1 0 370.287 2.812 20 10 FFCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC001353668107 1056621682 /nfs/dbraw/zinc/62/16/82/1056621682.db2.gz XGKPNIAUQYWDIG-QINHECLXSA-N 1 0 356.466 2.698 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C2CC2)cc1 ZINC001519930512 1059209829 /nfs/dbraw/zinc/20/98/29/1059209829.db2.gz KETGEPYQFFKQQE-PWIZWCRZSA-N 1 0 356.514 2.767 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]3OCCC[C@H]3C2)[NH+](C)C)cc1 ZINC001355379630 1060187397 /nfs/dbraw/zinc/18/73/97/1060187397.db2.gz DJEPIOJJQYMCER-IHPCNDPISA-N 1 0 374.529 2.566 20 10 FFCDRO COC(=O)Cc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000848578608 1060306015 /nfs/dbraw/zinc/30/60/15/1060306015.db2.gz GITJSSONUSFNNA-UHFFFAOYSA-N 1 0 354.450 2.529 20 10 FFCDRO COc1ccc([C@H]2CN(Cc3cc(F)cc(C(C)=O)c3O)CC[NH2+]2)cc1 ZINC001460657666 1061050821 /nfs/dbraw/zinc/05/08/21/1061050821.db2.gz NCFCCYYVMKRYMF-LJQANCHMSA-N 1 0 358.413 2.889 20 10 FFCDRO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001546421739 1061134974 /nfs/dbraw/zinc/13/49/74/1061134974.db2.gz QSHNPYSSGRWJHM-OAHLLOKOSA-N 1 0 355.486 2.667 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000765849911 1061598476 /nfs/dbraw/zinc/59/84/76/1061598476.db2.gz UPOBMECBPGYFKS-FQEVSTJZSA-N 1 0 371.437 2.895 20 10 FFCDRO Cc1cc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001479103585 1062226360 /nfs/dbraw/zinc/22/63/60/1062226360.db2.gz XTMCPVBIIMYTFV-KDURUIRLSA-N 1 0 352.482 2.797 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CC=CCC3)cc2)CC1 ZINC001479117211 1062237828 /nfs/dbraw/zinc/23/78/28/1062237828.db2.gz GAWXHSHRFNBBES-SFHVURJKSA-N 1 0 356.514 2.984 20 10 FFCDRO COc1ccc(C[NH2+]C2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC001473559698 1065283629 /nfs/dbraw/zinc/28/36/29/1065283629.db2.gz JZGYEVZVSLNWHP-UHFFFAOYSA-N 1 0 364.486 2.855 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1O ZINC001473723957 1065332127 /nfs/dbraw/zinc/33/21/27/1065332127.db2.gz NPNQMDJSHWTMFX-NSHDSACASA-N 1 0 373.478 2.721 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(N4CCNC4=O)cc3)cc2)CC1 ZINC001473945541 1065425449 /nfs/dbraw/zinc/42/54/49/1065425449.db2.gz VCXFSTMUUUQTAF-UHFFFAOYSA-N 1 0 365.481 2.580 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2=O)cc1 ZINC001474004483 1065437421 /nfs/dbraw/zinc/43/74/21/1065437421.db2.gz NOCBVVBDXKHAGW-IBGZPJMESA-N 1 0 352.434 2.521 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(O)c1 ZINC001474389012 1065509992 /nfs/dbraw/zinc/50/99/92/1065509992.db2.gz CXUQETZEZSFYCQ-QGZVFWFLSA-N 1 0 352.500 2.527 20 10 FFCDRO CC[NH+]1CCC(C(=O)NCCc2ccc(N)cc2)(c2ccccc2)CC1 ZINC001577760507 1078397381 /nfs/dbraw/zinc/39/73/81/1078397381.db2.gz WRTLHAVMLKPOTM-UHFFFAOYSA-N 1 0 351.494 2.981 20 10 FFCDRO CCc1nnc(N2CC[C@@H]([NH3+])C2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001578314619 1078462163 /nfs/dbraw/zinc/46/21/63/1078462163.db2.gz BVETUCXTJFEMMW-GOSISDBHSA-N 1 0 368.529 2.663 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C=O)sc2Cl)cc1 ZINC001578424456 1078472519 /nfs/dbraw/zinc/47/25/19/1078472519.db2.gz HDZBGIXSQCAYBN-AWEZNQCLSA-N 1 0 351.859 2.710 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC001578424654 1078473182 /nfs/dbraw/zinc/47/31/82/1078473182.db2.gz QHTQTBVSXCXZDU-KRWDZBQOSA-N 1 0 350.422 2.837 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC001578426127 1078473195 /nfs/dbraw/zinc/47/31/95/1078473195.db2.gz VBSLTSJSHUQLSA-INIZCTEOSA-N 1 0 351.397 2.857 20 10 FFCDRO CS[C@H](C)Cn1c([C@@H]2CCC[NH2+]2)nnc1N(C)Cc1ccccc1O ZINC001579364202 1078621373 /nfs/dbraw/zinc/62/13/73/1078621373.db2.gz NYMSRDUIQARPGY-HIFRSBDPSA-N 1 0 361.515 2.796 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCC[C@@H]([NH3+])C1 ZINC001579617698 1078650942 /nfs/dbraw/zinc/65/09/42/1078650942.db2.gz VGOFSQVJPJRBOK-QGZVFWFLSA-N 1 0 354.502 2.506 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)CC1 ZINC001556090109 1075699349 /nfs/dbraw/zinc/69/93/49/1075699349.db2.gz IWKQLELICMPPKD-UHFFFAOYSA-N 1 0 369.465 2.809 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001557386060 1075844390 /nfs/dbraw/zinc/84/43/90/1075844390.db2.gz BZRGEFQJQFRJHO-HXUWFJFHSA-N 1 0 374.868 2.689 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(O)CCCC(C)(C)C2)[NH+](C)C)cc1 ZINC001558723507 1076063445 /nfs/dbraw/zinc/06/34/45/1076063445.db2.gz QEWRHFCHAHFWLX-RXVVDRJESA-N 1 0 361.530 2.803 20 10 FFCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCOC1 ZINC001560422507 1076272484 /nfs/dbraw/zinc/27/24/84/1076272484.db2.gz SNPBAFZMAJLFAR-NHCUHLMSSA-N 1 0 352.478 2.736 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCc2ccc(OC)nc2)c2cc(F)ccc2n1C ZINC001560960664 1076314032 /nfs/dbraw/zinc/31/40/32/1076314032.db2.gz VVKHYPBZPFDJEO-UHFFFAOYSA-N 1 0 371.412 2.840 20 10 FFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC001563793347 1076583433 /nfs/dbraw/zinc/58/34/33/1076583433.db2.gz DPRKPVIBFIMXCZ-KRWDZBQOSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CCCC(C)(C)C3)C2)cc1 ZINC001565055731 1076681242 /nfs/dbraw/zinc/68/12/42/1076681242.db2.gz JKJDCSWRBDCCBI-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC001568604261 1077102694 /nfs/dbraw/zinc/10/26/94/1077102694.db2.gz CQRCXSBECPUNSO-DGCLKSJQSA-N 1 0 355.276 2.891 20 10 FFCDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001568904097 1077117535 /nfs/dbraw/zinc/11/75/35/1077117535.db2.gz IPXYCHLRKGUOIH-QGZVFWFLSA-N 1 0 369.425 2.890 20 10 FFCDRO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589961211 1080905928 /nfs/dbraw/zinc/90/59/28/1080905928.db2.gz KMKSAJLUCFRZHJ-OAHLLOKOSA-N 1 0 358.490 2.879 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000373219582 512226166 /nfs/dbraw/zinc/22/61/66/512226166.db2.gz XTFKCBFESVAXOC-SWLSCSKDSA-N 1 0 367.287 2.954 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000073935345 507968607 /nfs/dbraw/zinc/96/86/07/507968607.db2.gz HBLAVNDCTWWNLE-HWKANZROSA-N 1 0 368.393 2.503 20 10 FFCDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109770808 507986539 /nfs/dbraw/zinc/98/65/39/507986539.db2.gz NYBDYPQJNKDSFQ-LBPRGKRZSA-N 1 0 359.382 2.768 20 10 FFCDRO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1O ZINC000111236091 508080655 /nfs/dbraw/zinc/08/06/55/508080655.db2.gz PRWANSHSRGJMRP-UHFFFAOYSA-N 1 0 367.449 2.980 20 10 FFCDRO O=C1[C@H]([N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCN1CC(F)(F)F ZINC000111233016 508081074 /nfs/dbraw/zinc/08/10/74/508081074.db2.gz RUNUBPYZAVVBQB-LSDHHAIUSA-N 1 0 372.387 2.536 20 10 FFCDRO O=C(CCC[NH2+]Cc1cc2c(cc1O)OCO2)N1CCc2ccccc21 ZINC000111409557 508096784 /nfs/dbraw/zinc/09/67/84/508096784.db2.gz LEMDSUJCKZKLSV-UHFFFAOYSA-N 1 0 354.406 2.580 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1=COCCC1 ZINC000134258555 508514319 /nfs/dbraw/zinc/51/43/19/508514319.db2.gz RQKHXCGWXXVXOQ-INIZCTEOSA-N 1 0 350.846 2.821 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466135 512419114 /nfs/dbraw/zinc/41/91/14/512419114.db2.gz LPTWTFWYRMZGSM-SFHVURJKSA-N 1 0 367.497 2.898 20 10 FFCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151588311 509047936 /nfs/dbraw/zinc/04/79/36/509047936.db2.gz BLSZPNIKRRTIPX-KRWDZBQOSA-N 1 0 361.530 2.632 20 10 FFCDRO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000126047350 509058135 /nfs/dbraw/zinc/05/81/35/509058135.db2.gz GLNILCYOVILPJA-UHFFFAOYSA-N 1 0 372.396 2.608 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(Cl)ccc1O ZINC000189162828 509444387 /nfs/dbraw/zinc/44/43/87/509444387.db2.gz UWYFKEDJIFHETP-LBPRGKRZSA-N 1 0 369.870 2.662 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000179590096 509525919 /nfs/dbraw/zinc/52/59/19/509525919.db2.gz UAPDVDIBUGWHJF-UHFFFAOYSA-N 1 0 355.276 2.763 20 10 FFCDRO O=[N+]([O-])c1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)s1 ZINC000192457836 509525926 /nfs/dbraw/zinc/52/59/26/509525926.db2.gz CJINKYNKHLKSFQ-UHFFFAOYSA-N 1 0 352.445 2.596 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(OC)c1O ZINC000237251996 509602340 /nfs/dbraw/zinc/60/23/40/509602340.db2.gz XEHCCWASBGLBOY-UHFFFAOYSA-N 1 0 358.438 2.536 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000186376840 509678286 /nfs/dbraw/zinc/67/82/86/509678286.db2.gz QECOAPMRRBOTLL-AWEZNQCLSA-N 1 0 370.515 2.502 20 10 FFCDRO CN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1nc2ccccc2o1 ZINC000268296265 509857793 /nfs/dbraw/zinc/85/77/93/509857793.db2.gz COBHOVWOCSUYLS-UHFFFAOYSA-N 1 0 352.438 2.642 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cc(C)on3)CC2)c1O ZINC000177235995 509953077 /nfs/dbraw/zinc/95/30/77/509953077.db2.gz FYAVRPVTBCUGAX-UHFFFAOYSA-N 1 0 363.845 2.862 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000268844378 510095729 /nfs/dbraw/zinc/09/57/29/510095729.db2.gz BGYZWMKTRXAZAY-FXAWDEMLSA-N 1 0 358.530 2.667 20 10 FFCDRO CCN(C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)CC(F)(F)F ZINC000177639516 510174580 /nfs/dbraw/zinc/17/45/80/510174580.db2.gz PZOURBFRDWHBML-GFCCVEGCSA-N 1 0 360.376 2.827 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000178028906 510385762 /nfs/dbraw/zinc/38/57/62/510385762.db2.gz HHHDFGHISRVWIP-GOSISDBHSA-N 1 0 371.481 2.866 20 10 FFCDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000269443758 510409879 /nfs/dbraw/zinc/40/98/79/510409879.db2.gz GCLKAZOZGIHHRN-INIZCTEOSA-N 1 0 374.506 2.820 20 10 FFCDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000266121875 510419537 /nfs/dbraw/zinc/41/95/37/510419537.db2.gz IFBSUAYRMHIXDQ-UHFFFAOYSA-N 1 0 360.546 2.517 20 10 FFCDRO COc1cccc([C@H](CNC(=O)NCc2cccc(OC)c2O)[NH+](C)C)c1 ZINC000266720261 510748760 /nfs/dbraw/zinc/74/87/60/510748760.db2.gz SSMBQOAWMDVDJO-KRWDZBQOSA-N 1 0 373.453 2.512 20 10 FFCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263709898 510802293 /nfs/dbraw/zinc/80/22/93/510802293.db2.gz TYZGSVQXRRCQPQ-UHFFFAOYSA-N 1 0 374.506 2.963 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)c1 ZINC000185322913 510806713 /nfs/dbraw/zinc/80/67/13/510806713.db2.gz MCJFAHCQJZYVID-NWDGAFQWSA-N 1 0 352.431 2.851 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000276297436 510931984 /nfs/dbraw/zinc/93/19/84/510931984.db2.gz ULKCVXCEAGYMAV-CQSZACIVSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1C ZINC000276890548 510948670 /nfs/dbraw/zinc/94/86/70/510948670.db2.gz GFGXXGTYNJXNPL-UHFFFAOYSA-N 1 0 354.516 2.686 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c(O)c1 ZINC000277198898 510957296 /nfs/dbraw/zinc/95/72/96/510957296.db2.gz JJHKBAKYECNIAS-CQSZACIVSA-N 1 0 354.516 2.944 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000278677815 511003390 /nfs/dbraw/zinc/00/33/90/511003390.db2.gz OOVJMGCJWOSRIL-CYBMUJFWSA-N 1 0 366.889 2.933 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H]3C[C@@H](C)n4ccnc43)cc2F)CC1 ZINC000297603887 511005494 /nfs/dbraw/zinc/00/54/94/511005494.db2.gz IEKXYFUPTREJBO-CRAIPNDOSA-N 1 0 357.477 2.960 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000287180793 511043976 /nfs/dbraw/zinc/04/39/76/511043976.db2.gz VFKSPSUSWWMJAV-MNOVXSKESA-N 1 0 362.289 2.630 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1O ZINC000288143467 511065645 /nfs/dbraw/zinc/06/56/45/511065645.db2.gz NJBHRPNWGJGOTB-KDOFPFPSSA-N 1 0 357.454 2.891 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCn2cc(Br)cn2)cc1OC ZINC000288433931 511075361 /nfs/dbraw/zinc/07/53/61/511075361.db2.gz DMPLYVFCTQSRTN-UHFFFAOYSA-N 1 0 370.247 2.500 20 10 FFCDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N2CCCCCC2)cc1 ZINC000289973559 511122817 /nfs/dbraw/zinc/12/28/17/511122817.db2.gz XMWDQIWDPMGVBC-QGZVFWFLSA-N 1 0 357.502 2.892 20 10 FFCDRO CC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)NC(=O)OC(C)(C)C ZINC000294985133 511244047 /nfs/dbraw/zinc/24/40/47/511244047.db2.gz GZADYCUOTDSQJV-CYBMUJFWSA-N 1 0 354.447 2.802 20 10 FFCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(C)c2O)C1 ZINC000279878573 511250365 /nfs/dbraw/zinc/25/03/65/511250365.db2.gz UKYXSWGSAIHZPP-ZDUSSCGKSA-N 1 0 355.276 2.811 20 10 FFCDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295024175 511255222 /nfs/dbraw/zinc/25/52/22/511255222.db2.gz HRJUJBKEIUHXGQ-UONOGXRCSA-N 1 0 350.434 2.964 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H]1SC ZINC000298444293 511287453 /nfs/dbraw/zinc/28/74/53/511287453.db2.gz NQDULMQQSJQYIB-QXAKKESOSA-N 1 0 368.518 2.785 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000295149604 511300659 /nfs/dbraw/zinc/30/06/59/511300659.db2.gz BHYDBUBUQDISCW-IBGZPJMESA-N 1 0 371.525 2.746 20 10 FFCDRO CCCOc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000295184476 511313287 /nfs/dbraw/zinc/31/32/87/511313287.db2.gz WIDRIXHKYZYFEG-UHFFFAOYSA-N 1 0 355.500 2.874 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272360199 511492120 /nfs/dbraw/zinc/49/21/20/511492120.db2.gz SBUPUPYUCSVPPS-NJSLBKSFSA-N 1 0 351.466 2.573 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cc(F)ccc1O ZINC000273380706 511522905 /nfs/dbraw/zinc/52/29/05/511522905.db2.gz IBDYURQSQHVQIF-OAHLLOKOSA-N 1 0 371.456 2.770 20 10 FFCDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000273439967 511526433 /nfs/dbraw/zinc/52/64/33/511526433.db2.gz MPWSWBSCARVTJP-LKFCYVNXSA-N 1 0 363.767 2.880 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000281013595 511689131 /nfs/dbraw/zinc/68/91/31/511689131.db2.gz YVIFNAPKOBIFSY-JMSVASOKSA-N 1 0 358.276 2.840 20 10 FFCDRO COCCCOCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296302838 511689982 /nfs/dbraw/zinc/68/99/82/511689982.db2.gz MVFZBHBSYYCAGX-UHFFFAOYSA-N 1 0 350.503 2.787 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1O ZINC000363847647 511806705 /nfs/dbraw/zinc/80/67/05/511806705.db2.gz DRBJSLSSIYWXBA-QDUSTFBWSA-N 1 0 367.449 2.917 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)cc1F ZINC000281356432 511816568 /nfs/dbraw/zinc/81/65/68/511816568.db2.gz UOOJOTRPVHIGDP-UHFFFAOYSA-N 1 0 361.383 2.782 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)N[C@@H](C(N)=O)c2ccccn2)c1O ZINC000296633373 511829627 /nfs/dbraw/zinc/82/96/27/511829627.db2.gz BLTLWVRWYYWBHR-IINYFYTJSA-N 1 0 364.243 2.735 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c(O)c1 ZINC000284948568 511941340 /nfs/dbraw/zinc/94/13/40/511941340.db2.gz DXUWNNWZSXGYBD-FQEVSTJZSA-N 1 0 374.485 2.837 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000366322237 511958080 /nfs/dbraw/zinc/95/80/80/511958080.db2.gz WTATTZKAQZRJLI-PKOBYXMFSA-N 1 0 373.428 2.785 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275154239 512057437 /nfs/dbraw/zinc/05/74/37/512057437.db2.gz UVLGVIODNZGOTO-SNVBAGLBSA-N 1 0 350.768 2.854 20 10 FFCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293725806 512064003 /nfs/dbraw/zinc/06/40/03/512064003.db2.gz OBXZDLYVQYHHNM-CVEARBPZSA-N 1 0 365.493 2.865 20 10 FFCDRO CC(C)n1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000367968722 512745368 /nfs/dbraw/zinc/74/53/68/512745368.db2.gz RSDLUTHWTVNVJT-MRXNPFEDSA-N 1 0 363.893 2.972 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2ccccc2c1O ZINC000368211229 512847451 /nfs/dbraw/zinc/84/74/51/512847451.db2.gz COQQDUXYETZMLM-AUUYWEPGSA-N 1 0 354.450 2.976 20 10 FFCDRO COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCOCC1 ZINC000368387271 512924307 /nfs/dbraw/zinc/92/43/07/512924307.db2.gz GVCIVMHZAAFPKL-UHFFFAOYSA-N 1 0 374.275 2.696 20 10 FFCDRO COCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435558951 513617933 /nfs/dbraw/zinc/61/79/33/513617933.db2.gz XKVYGXLTAMNOCX-UHFFFAOYSA-N 1 0 357.498 2.951 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCO2)C1 ZINC000435656840 513649148 /nfs/dbraw/zinc/64/91/48/513649148.db2.gz RZHVLOXQXCFYDE-MRXNPFEDSA-N 1 0 355.482 2.703 20 10 FFCDRO COCC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435721978 513668248 /nfs/dbraw/zinc/66/82/48/513668248.db2.gz KZFYBOQQRITLRO-MRXNPFEDSA-N 1 0 357.498 2.949 20 10 FFCDRO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000435920465 513716310 /nfs/dbraw/zinc/71/63/10/513716310.db2.gz KCCCHICJPYXHMH-IBGZPJMESA-N 1 0 369.509 2.949 20 10 FFCDRO CC(C)OCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436018703 513737395 /nfs/dbraw/zinc/73/73/95/513737395.db2.gz FNBCDXPMMPKFLZ-UHFFFAOYSA-N 1 0 357.498 2.949 20 10 FFCDRO COC[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443999935 514096498 /nfs/dbraw/zinc/09/64/98/514096498.db2.gz VAZUXEDKTNQGKV-MRXNPFEDSA-N 1 0 357.498 2.807 20 10 FFCDRO CO[C@H](C)CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444137766 514132973 /nfs/dbraw/zinc/13/29/73/514132973.db2.gz FTDBTJXUWSOSLE-MRXNPFEDSA-N 1 0 357.498 2.949 20 10 FFCDRO COC[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444244131 514166912 /nfs/dbraw/zinc/16/69/12/514166912.db2.gz JGENWSMJJCYNSE-KRWDZBQOSA-N 1 0 369.509 2.903 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000473815282 515760036 /nfs/dbraw/zinc/76/00/36/515760036.db2.gz WUOKEHLVEMUMJJ-FQEVSTJZSA-N 1 0 357.498 2.896 20 10 FFCDRO COC[C@@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)COc2ccccc2C1 ZINC000528746752 516667543 /nfs/dbraw/zinc/66/75/43/516667543.db2.gz KFURKRGFOMOJRW-HXUWFJFHSA-N 1 0 359.397 2.844 20 10 FFCDRO CCCN1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccc(F)cc21 ZINC000592566789 520458216 /nfs/dbraw/zinc/45/82/16/520458216.db2.gz XZXKWFXULVXTPZ-AWEZNQCLSA-N 1 0 371.460 2.735 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210507 608502070 /nfs/dbraw/zinc/50/20/70/608502070.db2.gz UKSKULOGEDBUCN-CYBMUJFWSA-N 1 0 369.425 2.701 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1O ZINC000155049649 728818869 /nfs/dbraw/zinc/81/88/69/728818869.db2.gz MIGSCCRTYNLFGW-UHFFFAOYSA-N 1 0 350.434 2.909 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000898116957 735316610 /nfs/dbraw/zinc/31/66/10/735316610.db2.gz WCTFJRFHMUTVFK-CQSZACIVSA-N 1 0 372.259 2.591 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC000898725701 735400656 /nfs/dbraw/zinc/40/06/56/735400656.db2.gz VNCMREQVFGMZGW-GFCCVEGCSA-N 1 0 366.259 2.855 20 10 FFCDRO CSC1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899099226 735447503 /nfs/dbraw/zinc/44/75/03/735447503.db2.gz XEKFGEGQUDHJQR-SFHVURJKSA-N 1 0 364.559 2.892 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc4c(c3)CCO4)SC2=S)CC1 ZINC000068127153 728187503 /nfs/dbraw/zinc/18/75/03/728187503.db2.gz BHUSBSTUWSWLEI-WJDWOHSUSA-N 1 0 360.504 2.917 20 10 FFCDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000092585553 728468968 /nfs/dbraw/zinc/46/89/68/728468968.db2.gz GHZJBPNKULXFHJ-NSHDSACASA-N 1 0 354.859 2.886 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000105206018 728504773 /nfs/dbraw/zinc/50/47/73/728504773.db2.gz SUMGSLGEKUUZGY-MRXNPFEDSA-N 1 0 350.482 2.811 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)c[nH]3)cc2F)CC1 ZINC000106829833 728512081 /nfs/dbraw/zinc/51/20/81/728512081.db2.gz OPTMHUZBTBUDNP-UHFFFAOYSA-N 1 0 364.852 2.879 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H](C)SC)cc2F)CC1 ZINC000119179555 728589337 /nfs/dbraw/zinc/58/93/37/728589337.db2.gz UOGSQEBIJXRNAW-AWEZNQCLSA-N 1 0 353.507 2.725 20 10 FFCDRO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000134263737 728729345 /nfs/dbraw/zinc/72/93/45/728729345.db2.gz FSLQNYCSAUXYQY-AEFFLSMTSA-N 1 0 367.921 2.712 20 10 FFCDRO COc1cc(CN2CC[NH+](CC(C)(C)O)CC2)c(O)c(C(C)(C)C)c1 ZINC000164368896 728965724 /nfs/dbraw/zinc/96/57/24/728965724.db2.gz XNJZIRVMHJJTGZ-UHFFFAOYSA-N 1 0 350.503 2.587 20 10 FFCDRO CC[C@@H](C)N(C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000171751362 729011966 /nfs/dbraw/zinc/01/19/66/729011966.db2.gz VRZKPDHENBVJNO-OAHLLOKOSA-N 1 0 350.482 2.908 20 10 FFCDRO CC[N@H+](CC(=O)N1CCCCC1)Cc1cc(Br)ccc1O ZINC000174423742 729071649 /nfs/dbraw/zinc/07/16/49/729071649.db2.gz CXGWIKJZQHEOIB-UHFFFAOYSA-N 1 0 355.276 2.989 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(Cl)Cl)cc2F)CC1 ZINC000180455371 729214666 /nfs/dbraw/zinc/21/46/66/729214666.db2.gz DCYCVDSHKYMKDC-UHFFFAOYSA-N 1 0 362.276 2.778 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2cc(F)cc(F)c2)c1 ZINC000182435594 729277780 /nfs/dbraw/zinc/27/77/80/729277780.db2.gz IKJYIXVKZIQUHC-LLVKDONJSA-N 1 0 350.365 2.646 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000187024736 729371697 /nfs/dbraw/zinc/37/16/97/729371697.db2.gz ZWBLDLGUPRFQRI-OAHLLOKOSA-N 1 0 368.568 2.543 20 10 FFCDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190146572 729405310 /nfs/dbraw/zinc/40/53/10/729405310.db2.gz OMRDMUGUCJOSRR-UHFFFAOYSA-N 1 0 350.482 2.909 20 10 FFCDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000237106995 729558498 /nfs/dbraw/zinc/55/84/98/729558498.db2.gz BRBQDOFZAVCVIG-UHFFFAOYSA-N 1 0 350.260 2.806 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000779038761 738431279 /nfs/dbraw/zinc/43/12/79/738431279.db2.gz NBKLJDPUHXBMAS-HUBLWGQQSA-N 1 0 357.292 2.833 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNCc3cn(C)nc3Cl)cc2F)CC1 ZINC000856768769 730356163 /nfs/dbraw/zinc/35/61/63/730356163.db2.gz BTMAZSFDTDOTMP-UHFFFAOYSA-N 1 0 365.884 2.644 20 10 FFCDRO COc1cccc([C@@H](O)C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858133783 730417435 /nfs/dbraw/zinc/41/74/35/730417435.db2.gz XXSKPKRZBRLGQO-INIZCTEOSA-N 1 0 352.228 2.987 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3c(O)cccc3Br)[C@H]2C1 ZINC000858165736 730418458 /nfs/dbraw/zinc/41/84/58/730418458.db2.gz YWMKINGKXOXFMT-DUVNUKRYSA-N 1 0 367.287 2.891 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000862513769 730705873 /nfs/dbraw/zinc/70/58/73/730705873.db2.gz VIFLVROVCFHMBY-CYBMUJFWSA-N 1 0 374.840 2.910 20 10 FFCDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000863341087 730770741 /nfs/dbraw/zinc/77/07/41/730770741.db2.gz PHQXHODEIGCKSL-HNNXBMFYSA-N 1 0 368.543 2.759 20 10 FFCDRO C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000863548057 730789902 /nfs/dbraw/zinc/78/99/02/730789902.db2.gz ULGVKJPBQTUORN-SECBINFHSA-N 1 0 351.672 2.824 20 10 FFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000863652003 730799145 /nfs/dbraw/zinc/79/91/45/730799145.db2.gz NUDOKTHMUIYLRS-OAHLLOKOSA-N 1 0 369.849 2.544 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000863832050 730811606 /nfs/dbraw/zinc/81/16/06/730811606.db2.gz SDZPYFJEXQJUBY-KRWDZBQOSA-N 1 0 361.873 2.544 20 10 FFCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(C(F)(F)F)c1 ZINC000865653639 730982307 /nfs/dbraw/zinc/98/23/07/730982307.db2.gz IGEPGBFUGWLQGA-ZDUSSCGKSA-N 1 0 355.312 2.963 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000775646676 738109187 /nfs/dbraw/zinc/10/91/87/738109187.db2.gz MYWOWVDSOIVYEB-MRXNPFEDSA-N 1 0 369.303 2.760 20 10 FFCDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000872111794 731730862 /nfs/dbraw/zinc/73/08/62/731730862.db2.gz DSEOHNXOLSEOKR-CABCVRRESA-N 1 0 350.434 2.656 20 10 FFCDRO NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000876721408 732272396 /nfs/dbraw/zinc/27/23/96/732272396.db2.gz IUEYMNSTKPTVKX-UHFFFAOYSA-N 1 0 360.479 2.984 20 10 FFCDRO NS(=O)(=O)c1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000876722473 732272431 /nfs/dbraw/zinc/27/24/31/732272431.db2.gz VWRWLCQCTBRMMS-UHFFFAOYSA-N 1 0 360.479 2.984 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@H]3CC3(F)F)CC2)cc1 ZINC000876900311 732294667 /nfs/dbraw/zinc/29/46/67/732294667.db2.gz HNGHYEQDEUONIV-MAUKXSAKSA-N 1 0 353.457 2.841 20 10 FFCDRO CN(C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000662578315 732336152 /nfs/dbraw/zinc/33/61/52/732336152.db2.gz PLRSCTATNOQICD-SNVBAGLBSA-N 1 0 354.332 2.662 20 10 FFCDRO O=S1(=O)C[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@H]2C1 ZINC000877793008 732433332 /nfs/dbraw/zinc/43/33/32/732433332.db2.gz LSUQHFWMYGTFLZ-MJGOQNOKSA-N 1 0 357.475 2.926 20 10 FFCDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926558564 738630068 /nfs/dbraw/zinc/63/00/68/738630068.db2.gz GRHCOTRFPZTLSC-MAUKXSAKSA-N 1 0 354.441 2.952 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1[O-] ZINC000926947527 738671807 /nfs/dbraw/zinc/67/18/07/738671807.db2.gz KENSLBJWCLSGGL-SAOAKYDJSA-N 1 0 360.223 2.748 20 10 FFCDRO Cn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Br)n1 ZINC000883163642 733345056 /nfs/dbraw/zinc/34/50/56/733345056.db2.gz GTDSSYOAZWPQRG-UHFFFAOYSA-N 1 0 364.291 2.547 20 10 FFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H]1CCCOC1 ZINC000886360026 733777229 /nfs/dbraw/zinc/77/72/29/733777229.db2.gz NSOJVWZSYUBHLE-FZMZJTMJSA-N 1 0 374.275 2.695 20 10 FFCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000726237594 734415236 /nfs/dbraw/zinc/41/52/36/734415236.db2.gz JTAXGAGZOOWWFB-LSDHHAIUSA-N 1 0 350.482 2.811 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1 ZINC000733330588 734809381 /nfs/dbraw/zinc/80/93/81/734809381.db2.gz CUJQPPOENRKABR-UHFFFAOYSA-N 1 0 364.898 2.865 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2c(F)cccc2F)c1O ZINC000894260032 734827110 /nfs/dbraw/zinc/82/71/10/734827110.db2.gz MGUNVQKSXUFJSJ-UHFFFAOYSA-N 1 0 350.365 2.507 20 10 FFCDRO O=S(=O)(C1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCCC1 ZINC000897274468 735214013 /nfs/dbraw/zinc/21/40/13/735214013.db2.gz LYKJYHGYEVGZPX-UHFFFAOYSA-N 1 0 372.918 2.826 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1O ZINC000897572038 735250051 /nfs/dbraw/zinc/25/00/51/735250051.db2.gz HQKPHGSGNGRYIR-UHFFFAOYSA-N 1 0 360.479 2.728 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000897746157 735272578 /nfs/dbraw/zinc/27/25/78/735272578.db2.gz YQDFOPKOTUHXEK-CQSZACIVSA-N 1 0 352.450 2.730 20 10 FFCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903299562 736072699 /nfs/dbraw/zinc/07/26/99/736072699.db2.gz OVEHOPDSICYWHP-MORSLUCNSA-N 1 0 354.878 2.631 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756483464 736335412 /nfs/dbraw/zinc/33/54/12/736335412.db2.gz OGKFEPJELYPYOE-CYBMUJFWSA-N 1 0 354.516 2.640 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756484364 736335767 /nfs/dbraw/zinc/33/57/67/736335767.db2.gz VGRCSVSTTCXXGM-IUODEOHRSA-N 1 0 364.442 2.648 20 10 FFCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000756543697 736340767 /nfs/dbraw/zinc/34/07/67/736340767.db2.gz HTSJQWOTFWIUEO-RYUDHWBXSA-N 1 0 374.298 2.580 20 10 FFCDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000756552178 736341541 /nfs/dbraw/zinc/34/15/41/736341541.db2.gz CNIITNXEJASIAX-LBPRGKRZSA-N 1 0 353.415 2.664 20 10 FFCDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1O ZINC000756552175 736341769 /nfs/dbraw/zinc/34/17/69/736341769.db2.gz CNIITNXEJASIAX-GFCCVEGCSA-N 1 0 353.415 2.664 20 10 FFCDRO C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1O ZINC000756561099 736343510 /nfs/dbraw/zinc/34/35/10/736343510.db2.gz AYOBHOKFEFCMGH-ZDUSSCGKSA-N 1 0 353.894 2.639 20 10 FFCDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000760883344 736677313 /nfs/dbraw/zinc/67/73/13/736677313.db2.gz KEXUMMGZNJXAGZ-AWEZNQCLSA-N 1 0 354.878 2.980 20 10 FFCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1O ZINC000761199424 736706443 /nfs/dbraw/zinc/70/64/43/736706443.db2.gz OGSYYXOBOZPGSQ-NSHDSACASA-N 1 0 366.767 2.649 20 10 FFCDRO Cc1[nH]nc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1C ZINC000761983502 736779057 /nfs/dbraw/zinc/77/90/57/736779057.db2.gz SNCGCFDAYIGUDU-HNNXBMFYSA-N 1 0 362.861 2.780 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762616070 736845596 /nfs/dbraw/zinc/84/55/96/736845596.db2.gz PUPRVRFLYIEVIM-FGTMMUONSA-N 1 0 350.553 2.992 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000764792904 737050377 /nfs/dbraw/zinc/05/03/77/737050377.db2.gz ZGANJRSMRQQOHO-NSHDSACASA-N 1 0 358.280 2.684 20 10 FFCDRO CC(C)(C)[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000765175984 737091461 /nfs/dbraw/zinc/09/14/61/737091461.db2.gz HBELRXTVZOYKDB-GOEBONIOSA-N 1 0 354.878 2.533 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765694636 737145538 /nfs/dbraw/zinc/14/55/38/737145538.db2.gz VIFJOTAYPKBRJU-CQSZACIVSA-N 1 0 367.877 2.670 20 10 FFCDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765897999 737171662 /nfs/dbraw/zinc/17/16/62/737171662.db2.gz GDGHUFVMDVDZCF-JKSUJKDBSA-N 1 0 368.905 2.880 20 10 FFCDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765978857 737179884 /nfs/dbraw/zinc/17/98/84/737179884.db2.gz QGRMJXOAXXNWNT-OAHLLOKOSA-N 1 0 364.536 2.704 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1OC ZINC000768461501 737424524 /nfs/dbraw/zinc/42/45/24/737424524.db2.gz VTJVMGSDEFFHFL-UHFFFAOYSA-N 1 0 354.447 2.708 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)O[C@H]1CCOC1 ZINC000914156618 737516980 /nfs/dbraw/zinc/51/69/80/737516980.db2.gz CUYTWOXNUQVWRX-GJZGRUSLSA-N 1 0 354.834 2.525 20 10 FFCDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004150 737862982 /nfs/dbraw/zinc/86/29/82/737862982.db2.gz GLOJEWAXXBZBTQ-GJZGRUSLSA-N 1 0 365.905 2.837 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773132531 737874665 /nfs/dbraw/zinc/87/46/65/737874665.db2.gz ORACRVDUVZKEEV-QBIMZIAESA-N 1 0 365.905 2.742 20 10 FFCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922056720 738084876 /nfs/dbraw/zinc/08/48/76/738084876.db2.gz VYJGFFOOJXYWMU-UHFFFAOYSA-N 1 0 366.527 2.694 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNCc3c(Cl)n[nH]c3C3CC3)cc2)CC1 ZINC000922332490 738123213 /nfs/dbraw/zinc/12/32/13/738123213.db2.gz GXLFGZXQLSWTHG-UHFFFAOYSA-N 1 0 359.905 2.982 20 10 FFCDRO CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000786944692 739091483 /nfs/dbraw/zinc/09/14/83/739091483.db2.gz GXECNXDWAHOTCN-CYBMUJFWSA-N 1 0 362.289 2.630 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2nn(C)cc2Cl)[NH+](C)C)cc1 ZINC000932425799 739451556 /nfs/dbraw/zinc/45/15/56/739451556.db2.gz UGDFEKLSLBHNSU-HNNXBMFYSA-N 1 0 364.881 2.564 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)C1(S(C)(=O)=O)CC1 ZINC000797070260 740209285 /nfs/dbraw/zinc/20/92/85/740209285.db2.gz KAHNSIWKTLWNPK-VHSXEESVSA-N 1 0 362.289 2.771 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000800899568 740562377 /nfs/dbraw/zinc/56/23/77/740562377.db2.gz OLIXLGWFJOPCPW-AWEZNQCLSA-N 1 0 360.841 2.815 20 10 FFCDRO CC(C)[NH+]1CCC(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804737703 740901377 /nfs/dbraw/zinc/90/13/77/740901377.db2.gz OENBLELIQCTLER-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179287 741045653 /nfs/dbraw/zinc/04/56/53/741045653.db2.gz QNPUUHSQOJHEPM-AAEUAGOBSA-N 1 0 351.244 2.976 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000806182909 741045999 /nfs/dbraw/zinc/04/59/99/741045999.db2.gz GYXAGYMCMRKFIY-YJBOKZPZSA-N 1 0 360.479 2.896 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1C ZINC000808433527 741225502 /nfs/dbraw/zinc/22/55/02/741225502.db2.gz KVGJNLOLTNRGKE-KRWDZBQOSA-N 1 0 360.479 2.562 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000808711975 741254715 /nfs/dbraw/zinc/25/47/15/741254715.db2.gz XUTMKMLAYFYLHR-BFQNTYOBSA-N 1 0 362.861 2.932 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000809700778 741333833 /nfs/dbraw/zinc/33/38/33/741333833.db2.gz NZJPYPDGTPLMDN-ZFWWWQNUSA-N 1 0 369.303 2.758 20 10 FFCDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000809779492 741342725 /nfs/dbraw/zinc/34/27/25/741342725.db2.gz OYFPOOHVCJCBGH-CYBMUJFWSA-N 1 0 357.248 2.865 20 10 FFCDRO CSC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CC[NH+](C)CC1 ZINC000811940827 741576217 /nfs/dbraw/zinc/57/62/17/741576217.db2.gz UEKOHAXCBINCJU-UHFFFAOYSA-N 1 0 364.559 2.688 20 10 FFCDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)n1-c1ccc(Cl)cc1 ZINC000818013003 742229774 /nfs/dbraw/zinc/22/97/74/742229774.db2.gz WOJNMEXNZQEJJR-KRWDZBQOSA-N 1 0 361.873 2.937 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000825358246 743255759 /nfs/dbraw/zinc/25/57/59/743255759.db2.gz PLWQQHXERMENRP-CVEARBPZSA-N 1 0 369.303 2.888 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000825716093 743317184 /nfs/dbraw/zinc/31/71/84/743317184.db2.gz NUTSCFWFZODBBN-UHFFFAOYSA-N 1 0 364.243 2.988 20 10 FFCDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825893053 743339522 /nfs/dbraw/zinc/33/95/22/743339522.db2.gz NJFNIFUSFYMUAD-UHFFFAOYSA-N 1 0 357.248 2.723 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000826256275 743376910 /nfs/dbraw/zinc/37/69/10/743376910.db2.gz BCAZDKHFKKXPJL-UHFFFAOYSA-N 1 0 374.242 2.933 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827076551 743500923 /nfs/dbraw/zinc/50/09/23/743500923.db2.gz SEURGNMHVPFSDR-CQSZACIVSA-N 1 0 358.511 2.920 20 10 FFCDRO CNC(=O)CC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000827596653 743608985 /nfs/dbraw/zinc/60/89/85/743608985.db2.gz YXAKAZIUFZTHLG-UHFFFAOYSA-N 1 0 350.459 2.586 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC000827740951 744969059 /nfs/dbraw/zinc/96/90/59/744969059.db2.gz JSVZFAKVIHPOQW-UHFFFAOYSA-N 1 0 369.259 2.880 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835075707 745945851 /nfs/dbraw/zinc/94/58/51/745945851.db2.gz ZOXCLAVCWZWGMV-UONOGXRCSA-N 1 0 353.260 2.706 20 10 FFCDRO NC(=O)C1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000839011366 746754530 /nfs/dbraw/zinc/75/45/30/746754530.db2.gz HUCPJRKHWVVOML-UHFFFAOYSA-N 1 0 352.276 2.547 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000839149744 746789047 /nfs/dbraw/zinc/78/90/47/746789047.db2.gz VGFVOJIIRBMWBA-CYBMUJFWSA-N 1 0 364.467 2.550 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000840888084 747212965 /nfs/dbraw/zinc/21/29/65/747212965.db2.gz XJMGVYPNKPSZNY-MJEQTWJJSA-N 1 0 358.404 2.862 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000840975189 747247997 /nfs/dbraw/zinc/24/79/97/747247997.db2.gz DTJHCJBNCSXFIT-CQSZACIVSA-N 1 0 355.276 2.952 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000841335467 747319115 /nfs/dbraw/zinc/31/91/15/747319115.db2.gz QZUMAXSRBZOGFI-HNNXBMFYSA-N 1 0 360.424 2.952 20 10 FFCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706763 747436785 /nfs/dbraw/zinc/43/67/85/747436785.db2.gz JBTYEAHTENKFSW-QAPCUYQASA-N 1 0 362.543 2.651 20 10 FFCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706762 747436923 /nfs/dbraw/zinc/43/69/23/747436923.db2.gz JBTYEAHTENKFSW-MAUKXSAKSA-N 1 0 362.543 2.651 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(Cl)cc1O ZINC000841746297 747447534 /nfs/dbraw/zinc/44/75/34/747447534.db2.gz XTLYOAMKYPTBJW-DGCLKSJQSA-N 1 0 365.813 2.865 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000841858358 747477910 /nfs/dbraw/zinc/47/79/10/747477910.db2.gz WZVLVUZYSIBTPR-AWEZNQCLSA-N 1 0 354.545 2.656 20 10 FFCDRO CCn1nncc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841861203 747478575 /nfs/dbraw/zinc/47/85/75/747478575.db2.gz WOOMTIQYBBKHJY-UHFFFAOYSA-N 1 0 351.401 2.658 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2Cl)C1 ZINC000841895393 747483858 /nfs/dbraw/zinc/48/38/58/747483858.db2.gz BJIOYWFUBSNPFS-HIFRSBDPSA-N 1 0 350.894 2.737 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC000843296663 747806484 /nfs/dbraw/zinc/80/64/84/747806484.db2.gz CZEVREXUKQFAGJ-SFHVURJKSA-N 1 0 361.873 2.991 20 10 FFCDRO CC(C)CN(CC(F)(F)F)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349826 747815065 /nfs/dbraw/zinc/81/50/65/747815065.db2.gz FFTOJKOMAJUUIX-UHFFFAOYSA-N 1 0 357.420 2.945 20 10 FFCDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844301662 747999881 /nfs/dbraw/zinc/99/98/81/747999881.db2.gz VQVFBLLRBJQFHM-AWEZNQCLSA-N 1 0 369.259 2.960 20 10 FFCDRO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000844322891 748004483 /nfs/dbraw/zinc/00/44/83/748004483.db2.gz QIXBOIQDSIKZNI-LBPRGKRZSA-N 1 0 367.902 2.904 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1O ZINC000846139557 748414694 /nfs/dbraw/zinc/41/46/94/748414694.db2.gz VMRGSMRHYCAJNR-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1O ZINC000846146445 748415171 /nfs/dbraw/zinc/41/51/71/748415171.db2.gz RSOBSRWDWQGCRJ-GFCCVEGCSA-N 1 0 350.440 2.623 20 10 FFCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000846208627 748431254 /nfs/dbraw/zinc/43/12/54/748431254.db2.gz JTXNABGTNOYLJS-GJZGRUSLSA-N 1 0 365.905 2.696 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000848532792 748952053 /nfs/dbraw/zinc/95/20/53/748952053.db2.gz ASXIWZSMMVOAGS-JTQLQIEISA-N 1 0 371.275 2.873 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848536102 748953522 /nfs/dbraw/zinc/95/35/22/748953522.db2.gz KKTCWVFXFCGWIO-IRUJWGPZSA-N 1 0 371.275 2.729 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2ccn(C)n2)c1O ZINC000848546297 748955584 /nfs/dbraw/zinc/95/55/84/748955584.db2.gz XPZQFEDCRBVNNQ-JTQLQIEISA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(OC)CC2)c1O ZINC000848554216 748958767 /nfs/dbraw/zinc/95/87/67/748958767.db2.gz XJMODKKZNVNPIL-SNVBAGLBSA-N 1 0 359.264 2.840 20 10 FFCDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563577 748961617 /nfs/dbraw/zinc/96/16/17/748961617.db2.gz VICYHCSWUPOPJO-UPJWGTAASA-N 1 0 357.292 2.742 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848569483 748962975 /nfs/dbraw/zinc/96/29/75/748962975.db2.gz FDSQQHFTYSPZEN-JOYOIKCWSA-N 1 0 355.232 2.789 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850121039 749306076 /nfs/dbraw/zinc/30/60/76/749306076.db2.gz BAXHKJCYYPNNGV-CABCVRRESA-N 1 0 350.503 2.897 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850300794 749337910 /nfs/dbraw/zinc/33/79/10/749337910.db2.gz DVRHCZKXJILPTJ-HNNXBMFYSA-N 1 0 354.516 2.656 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cc1 ZINC000850349981 749348913 /nfs/dbraw/zinc/34/89/13/749348913.db2.gz MNWSUBNTLRNXMI-XMMPIXPASA-N 1 0 364.433 2.565 20 10 FFCDRO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000850353931 749350661 /nfs/dbraw/zinc/35/06/61/749350661.db2.gz QCEHIVVXXJVONR-ZDUSSCGKSA-N 1 0 358.324 2.516 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850363778 749353032 /nfs/dbraw/zinc/35/30/32/749353032.db2.gz HCFUVOLPNNDBFG-UHFFFAOYSA-N 1 0 352.422 2.600 20 10 FFCDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000850555125 749386730 /nfs/dbraw/zinc/38/67/30/749386730.db2.gz HCRXJOSNMRHLMD-SNVBAGLBSA-N 1 0 362.289 2.773 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000852413425 749854363 /nfs/dbraw/zinc/85/43/63/749854363.db2.gz VSXRIWXFSJVZEJ-GFCCVEGCSA-N 1 0 370.291 2.827 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@H+](C3CC3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000014265990 845028914 /nfs/dbraw/zinc/02/89/14/845028914.db2.gz ZFXGKYCWPFSTIY-OAHLLOKOSA-N 1 0 361.463 2.706 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000840301243 971019859 /nfs/dbraw/zinc/01/98/59/971019859.db2.gz DKULRSMRIOQHEB-VQIMIIECSA-N 1 0 358.530 2.776 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000182396601 971026229 /nfs/dbraw/zinc/02/62/29/971026229.db2.gz AFDUCSSGSIWOQP-LBPRGKRZSA-N 1 0 359.382 2.907 20 10 FFCDRO Cc1ncccc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895998391 971135825 /nfs/dbraw/zinc/13/58/25/971135825.db2.gz YIZXTJAMDBKDEA-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)c1 ZINC000185427622 971285443 /nfs/dbraw/zinc/28/54/43/971285443.db2.gz QQXPAVAFOUUWKZ-IEBWSBKVSA-N 1 0 370.493 2.995 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)CN1C1COC1 ZINC001275841113 1013071248 /nfs/dbraw/zinc/07/12/48/1013071248.db2.gz XBFOYQYZSPNJKX-UHFFFAOYSA-N 1 0 364.873 2.649 20 10 FFCDRO Cc1nccnc1[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000896320805 971420778 /nfs/dbraw/zinc/42/07/78/971420778.db2.gz ZPAINPBQZIYHLO-CRAIPNDOSA-N 1 0 370.501 2.514 20 10 FFCDRO Cc1cc(CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)c(C)n1-c1ccccc1 ZINC000871969438 1013123554 /nfs/dbraw/zinc/12/35/54/1013123554.db2.gz WEJRYVYUGUUFLQ-NRFANRHFSA-N 1 0 372.509 2.519 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275896022 1013155024 /nfs/dbraw/zinc/15/50/24/1013155024.db2.gz RRKGTAHITRUDRD-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001275896312 1013158296 /nfs/dbraw/zinc/15/82/96/1013158296.db2.gz XJXCLVIOUKWKIW-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCCO)C2CC2)C1 ZINC000683499384 960794396 /nfs/dbraw/zinc/79/43/96/960794396.db2.gz HULSOAZTZUBHAC-UHFFFAOYSA-N 1 0 369.509 2.781 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000872660090 1013245347 /nfs/dbraw/zinc/24/53/47/1013245347.db2.gz VVWLXZSMOOGGSW-TZMCWYRMSA-N 1 0 366.458 2.897 20 10 FFCDRO Cn1cc(C2=NC[C@@H](C[N@H+](Cc3ccccc3O)C3CCCC3)O2)cn1 ZINC001167353677 962304273 /nfs/dbraw/zinc/30/42/73/962304273.db2.gz LNHLIZZVEMYXLW-SFHVURJKSA-N 1 0 354.454 2.716 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2F)[NH+](C)C)cc1 ZINC000891246802 962565778 /nfs/dbraw/zinc/56/57/78/962565778.db2.gz DXCILPNXVZYEGL-HNNXBMFYSA-N 1 0 363.408 2.769 20 10 FFCDRO Cc1cncc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891246986 962570040 /nfs/dbraw/zinc/57/00/40/962570040.db2.gz GFPALSBZNBNADX-HXUWFJFHSA-N 1 0 354.498 2.808 20 10 FFCDRO COCc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891247160 962570949 /nfs/dbraw/zinc/57/09/49/962570949.db2.gz GDFGMQHEVABRFL-NRFANRHFSA-N 1 0 369.509 2.861 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1Cn1cccn1 ZINC000873080150 1013377393 /nfs/dbraw/zinc/37/73/93/1013377393.db2.gz MHZGEZUPMWSJPO-IBGZPJMESA-N 1 0 371.481 2.758 20 10 FFCDRO CC(C)(C)C(=O)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001276063707 1013387400 /nfs/dbraw/zinc/38/74/00/1013387400.db2.gz JWXISLOJMLBPQO-HXUWFJFHSA-N 1 0 362.445 2.571 20 10 FFCDRO COC(=O)c1ccc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167422807 963011263 /nfs/dbraw/zinc/01/12/63/963011263.db2.gz CBYZJCXXFVMFGO-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(C(F)(F)F)n3)cc2)CC1 ZINC001167423246 963014396 /nfs/dbraw/zinc/01/43/96/963014396.db2.gz SJWHHIRXGXXCOL-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO O=C1CO[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)CN1CC1CCCC1 ZINC001276064791 1013393475 /nfs/dbraw/zinc/39/34/75/1013393475.db2.gz XSNIMIBKCWHARG-HXUWFJFHSA-N 1 0 362.445 2.525 20 10 FFCDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000160607033 963084676 /nfs/dbraw/zinc/08/46/76/963084676.db2.gz GMBBVVQGRDUAJI-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cncnc3C(F)(F)F)cc2)CC1 ZINC001167434519 963180683 /nfs/dbraw/zinc/18/06/83/963180683.db2.gz NTYWLEOCYHDAQZ-UHFFFAOYSA-N 1 0 351.376 2.859 20 10 FFCDRO COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC001167434553 963181922 /nfs/dbraw/zinc/18/19/22/963181922.db2.gz PYRQOTYCANHWHY-UHFFFAOYSA-N 1 0 356.426 2.967 20 10 FFCDRO Fc1cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)ccc1N1CCOCC1 ZINC000873158366 1013406525 /nfs/dbraw/zinc/40/65/25/1013406525.db2.gz WQWWDTPBXRHPEV-UHFFFAOYSA-N 1 0 372.366 2.667 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000891748354 965012591 /nfs/dbraw/zinc/01/25/91/965012591.db2.gz PFHBNTXDISYTDC-LJQANCHMSA-N 1 0 356.470 2.560 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c(O)c1OC ZINC000894440381 965372849 /nfs/dbraw/zinc/37/28/49/965372849.db2.gz UZZDKILBMOCCPJ-OAHLLOKOSA-N 1 0 366.458 2.899 20 10 FFCDRO CCCCC1([NH2+]CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000934209215 965999315 /nfs/dbraw/zinc/99/93/15/965999315.db2.gz LGJQRLMJOGGGSF-UHFFFAOYSA-N 1 0 363.477 2.591 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729500994 967397377 /nfs/dbraw/zinc/39/73/77/967397377.db2.gz DSVDYZWEFIESPN-WOJBJXKFSA-N 1 0 374.529 2.537 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC(C3(O)CC3)CC2)c2cc(F)ccc2n1C ZINC000895133931 967816730 /nfs/dbraw/zinc/81/67/30/967816730.db2.gz RQTMGIPFRQCJGS-UHFFFAOYSA-N 1 0 360.429 2.841 20 10 FFCDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178077221 969437552 /nfs/dbraw/zinc/43/75/52/969437552.db2.gz GRPGHBLYGQKSRK-MRXNPFEDSA-N 1 0 365.493 2.962 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000892577966 969512999 /nfs/dbraw/zinc/51/29/99/969512999.db2.gz FXZCAQTZKRCIIU-QAQDUYKDSA-N 1 0 356.470 2.795 20 10 FFCDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160661592 969525658 /nfs/dbraw/zinc/52/56/58/969525658.db2.gz JQXZGPFDIIVGSQ-MOPGFXCFSA-N 1 0 373.497 2.567 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)CC2)cc1 ZINC000255953275 969737761 /nfs/dbraw/zinc/73/77/61/969737761.db2.gz PQZBLXIWCPXSHP-SQGPQFPESA-N 1 0 359.514 2.758 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000311310326 969864593 /nfs/dbraw/zinc/86/45/93/969864593.db2.gz UBLPWAWVGJRLRP-KGLIPLIRSA-N 1 0 366.458 2.687 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000892730687 970259151 /nfs/dbraw/zinc/25/91/51/970259151.db2.gz TVMMHSYRQCSGLA-IPELMVKDSA-N 1 0 364.461 2.808 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237257828 970400276 /nfs/dbraw/zinc/40/02/76/970400276.db2.gz MQSKQJYEBFYYPO-IRXDYDNUSA-N 1 0 359.514 2.806 20 10 FFCDRO C[NH+](C)CCCOc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875229610 1013998277 /nfs/dbraw/zinc/99/82/77/1013998277.db2.gz MSLBUSMATAPYKW-UHFFFAOYSA-N 1 0 369.465 2.948 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1O ZINC000895366650 970495345 /nfs/dbraw/zinc/49/53/45/970495345.db2.gz RMEQULOKFUJXKF-UHFFFAOYSA-N 1 0 366.421 2.928 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)c1 ZINC000895504397 970675172 /nfs/dbraw/zinc/67/51/72/970675172.db2.gz UDWCLQLHQGSNFR-HNNXBMFYSA-N 1 0 360.385 2.831 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CCCC1 ZINC000653127049 1014233664 /nfs/dbraw/zinc/23/36/64/1014233664.db2.gz WZMAMLRGAISTSC-HUUCEWRRSA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CCCC1 ZINC000653134455 1014235450 /nfs/dbraw/zinc/23/54/50/1014235450.db2.gz AQQPXVXESBVXEQ-RDTXWAMCSA-N 1 0 355.482 2.643 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](CC[NH3+])C(F)F)CCCC1 ZINC000653144864 1014236344 /nfs/dbraw/zinc/23/63/44/1014236344.db2.gz JSUQGZDZVIUJMM-HNNXBMFYSA-N 1 0 365.424 2.627 20 10 FFCDRO COc1cc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cc(OC)c1OC ZINC000662626240 975757137 /nfs/dbraw/zinc/75/71/37/975757137.db2.gz DYXIJAYDKSYKBU-UHFFFAOYSA-N 1 0 356.422 2.635 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)n1[C@H]1CCOC1 ZINC000876505806 1014286285 /nfs/dbraw/zinc/28/62/85/1014286285.db2.gz BKJPNGZFMFYEIT-AZUAARDMSA-N 1 0 370.497 2.562 20 10 FFCDRO Cc1ccccc1CO[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506085 1014288740 /nfs/dbraw/zinc/28/87/40/1014288740.db2.gz DSQKXLHYIMIHGO-UZLBHIALSA-N 1 0 355.482 2.782 20 10 FFCDRO Cc1csc(N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)n1 ZINC000876575963 1014310239 /nfs/dbraw/zinc/31/02/39/1014310239.db2.gz ZQNBBGKUIQBMBE-UHFFFAOYSA-N 1 0 372.538 2.735 20 10 FFCDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)c1 ZINC000876619403 1014327024 /nfs/dbraw/zinc/32/70/24/1014327024.db2.gz WXMHZIYMOCDBND-UHFFFAOYSA-N 1 0 366.509 2.673 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)N(C)C)cc1 ZINC000898450784 976461901 /nfs/dbraw/zinc/46/19/01/976461901.db2.gz DGRLSVGQZLKGMZ-HXUWFJFHSA-N 1 0 364.497 2.930 20 10 FFCDRO CNc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC000899210856 977022304 /nfs/dbraw/zinc/02/23/04/977022304.db2.gz FLLDXKSYWVNNIK-UHFFFAOYSA-N 1 0 356.445 2.549 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC1CC1)CC1CCC1)cc2=O ZINC000796579176 1014382097 /nfs/dbraw/zinc/38/20/97/1014382097.db2.gz DLNJFEDVAHKULR-UHFFFAOYSA-N 1 0 358.442 2.624 20 10 FFCDRO Cn1cc(C(=O)N2CC3(CCC3)c3ccccc32)c([C@H]2CCC[NH2+]C2)n1 ZINC000333324925 978156360 /nfs/dbraw/zinc/15/63/60/978156360.db2.gz VCAPGKXHXLPERJ-HNNXBMFYSA-N 1 0 350.466 2.969 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCCOCC3CCOCC3)cc2)CC1 ZINC000877059361 1014464011 /nfs/dbraw/zinc/46/40/11/1014464011.db2.gz VUVVJSBTXMYHQP-UHFFFAOYSA-N 1 0 362.514 2.571 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CC[C@H]3COc4ccccc4O3)cc2)CC1 ZINC000877110033 1014476628 /nfs/dbraw/zinc/47/66/28/1014476628.db2.gz LJSOWWZHVVCKCC-FQEVSTJZSA-N 1 0 368.477 2.967 20 10 FFCDRO C[S@](=O)C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877172593 1014498797 /nfs/dbraw/zinc/49/87/97/1014498797.db2.gz ULSFNTZORDEINF-LVXARBLLSA-N 1 0 372.534 2.857 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001272002607 979494886 /nfs/dbraw/zinc/49/48/86/979494886.db2.gz GWGKTMMYWVAYTB-STQMWFEESA-N 1 0 358.360 2.729 20 10 FFCDRO CN(C)c1ccc(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)cc1 ZINC000825973848 1014606221 /nfs/dbraw/zinc/60/62/21/1014606221.db2.gz RWDRWIIXTCMMBE-UHFFFAOYSA-N 1 0 350.466 2.986 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@H](O)c1ccccc1 ZINC000905051389 980371592 /nfs/dbraw/zinc/37/15/92/980371592.db2.gz CGCRQYHFZSEABA-RTWAWAEBSA-N 1 0 372.534 2.814 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)CC3(O)CCCCC3)C2)cc1 ZINC000905288184 980414577 /nfs/dbraw/zinc/41/45/77/980414577.db2.gz AVAGXGKLXXEVAY-PKOBYXMFSA-N 1 0 362.514 2.557 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)cc1 ZINC000906646253 981108417 /nfs/dbraw/zinc/10/84/17/981108417.db2.gz PMOTWFLOIOEKQX-UHFFFAOYSA-N 1 0 368.481 2.544 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000906739018 981134282 /nfs/dbraw/zinc/13/42/82/981134282.db2.gz MMTQEMVMRXUKEL-HXUWFJFHSA-N 1 0 373.541 2.634 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2cccc(OC)c2O)N2CCOCC2)cc1 ZINC000237338051 981258380 /nfs/dbraw/zinc/25/83/80/981258380.db2.gz ZGEYHLUFOMDAHM-IBGZPJMESA-N 1 0 372.465 2.573 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1C ZINC000877800293 1014732572 /nfs/dbraw/zinc/73/25/72/1014732572.db2.gz VSOHCFMYRCVOSI-BHIYHBOVSA-N 1 0 360.498 2.641 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000911277943 982186556 /nfs/dbraw/zinc/18/65/56/982186556.db2.gz YGJOKXIUXDHCDF-MSOLQXFVSA-N 1 0 359.514 2.760 20 10 FFCDRO O=c1[nH]c(C[N@@H+](Cc2ccccc2O)C2CCCC2)nc2c1COCC2 ZINC000878104731 1014863382 /nfs/dbraw/zinc/86/33/82/1014863382.db2.gz XPLSKPBPGXKRKW-UHFFFAOYSA-N 1 0 355.438 2.905 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912898301 984142824 /nfs/dbraw/zinc/14/28/24/984142824.db2.gz JCNHIIVDBROWDP-GOSISDBHSA-N 1 0 351.450 2.827 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000651157454 1015011083 /nfs/dbraw/zinc/01/10/83/1015011083.db2.gz PPDADHMQZURMEV-HNNXBMFYSA-N 1 0 355.482 2.597 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000167239941 984600615 /nfs/dbraw/zinc/60/06/15/984600615.db2.gz PUYGYGISPLADJF-ZNXRZULTSA-N 1 0 357.498 2.701 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000157760289 984634059 /nfs/dbraw/zinc/63/40/59/984634059.db2.gz ZPGZDSYTHAELKM-HXUWFJFHSA-N 1 0 362.420 2.799 20 10 FFCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(C)(C)O1 ZINC000765253740 985005980 /nfs/dbraw/zinc/00/59/80/985005980.db2.gz LWHYBYYLLLAFKC-SJLPKXTDSA-N 1 0 359.514 2.824 20 10 FFCDRO COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765320852 985037208 /nfs/dbraw/zinc/03/72/08/985037208.db2.gz AFHTZXATUUMURL-CRAIPNDOSA-N 1 0 374.481 2.860 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765382147 985054576 /nfs/dbraw/zinc/05/45/76/985054576.db2.gz PQUXYXFXFZQNLS-MRXNPFEDSA-N 1 0 371.456 2.629 20 10 FFCDRO C[C@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000765409062 985076077 /nfs/dbraw/zinc/07/60/77/985076077.db2.gz DMILVELOAGWWSY-INIZCTEOSA-N 1 0 353.466 2.515 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000765669296 985280724 /nfs/dbraw/zinc/28/07/24/985280724.db2.gz KGRALFDBAJDYJO-OKZBNKHCSA-N 1 0 374.529 2.708 20 10 FFCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(I)cc2O)C1 ZINC001232977791 986351127 /nfs/dbraw/zinc/35/11/27/986351127.db2.gz MPPZRSXUDWCDIE-AWEZNQCLSA-N 1 0 374.266 2.911 20 10 FFCDRO CSc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000879163812 1015389848 /nfs/dbraw/zinc/38/98/48/1015389848.db2.gz YFNXSWUBXSHBBT-UHFFFAOYSA-N 1 0 371.510 2.877 20 10 FFCDRO C[NH+](C)CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000922631691 988769441 /nfs/dbraw/zinc/76/94/41/988769441.db2.gz MJCDQWZVALLVRT-HXUWFJFHSA-N 1 0 372.488 2.840 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCCC[C@H]1C(C)C)cc2=O ZINC000763052018 989003703 /nfs/dbraw/zinc/00/37/03/989003703.db2.gz OWZNPRMURFUVGV-GOEBONIOSA-N 1 0 360.458 2.916 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000763238193 989245459 /nfs/dbraw/zinc/24/54/59/989245459.db2.gz AIMODXWQTOFIEC-UHFFFAOYSA-N 1 0 373.541 2.994 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000916573369 989828104 /nfs/dbraw/zinc/82/81/04/989828104.db2.gz LUDRFLRLMCERIV-MJGOQNOKSA-N 1 0 374.554 2.666 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)cc1 ZINC000766092230 990077362 /nfs/dbraw/zinc/07/73/62/990077362.db2.gz AHKLGCOGXJRWLR-UHFFFAOYSA-N 1 0 352.478 2.784 20 10 FFCDRO Cc1csc(CCCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000918852454 990511900 /nfs/dbraw/zinc/51/19/00/990511900.db2.gz OJXFRKXDHJHMCG-UHFFFAOYSA-N 1 0 372.538 2.842 20 10 FFCDRO Oc1cc(F)c(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000922976684 990777599 /nfs/dbraw/zinc/77/75/99/990777599.db2.gz NOJCLZIZZQYGDA-UHFFFAOYSA-N 1 0 362.420 2.964 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000796508780 1015594630 /nfs/dbraw/zinc/59/46/30/1015594630.db2.gz CUMYFPJLZMFHRY-IBGZPJMESA-N 1 0 374.506 2.963 20 10 FFCDRO C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000920921289 990933086 /nfs/dbraw/zinc/93/30/86/990933086.db2.gz BFLOQZVWHDCPKT-QZTJIDSGSA-N 1 0 374.529 2.758 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1O ZINC000879648546 1015625984 /nfs/dbraw/zinc/62/59/84/1015625984.db2.gz SVBYLTVUWKGKEC-CYBMUJFWSA-N 1 0 353.422 2.574 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1O ZINC000879652342 1015626987 /nfs/dbraw/zinc/62/69/87/1015626987.db2.gz YJILZEYREPHYLV-INIZCTEOSA-N 1 0 369.465 2.514 20 10 FFCDRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cc12 ZINC000237894758 991385827 /nfs/dbraw/zinc/38/58/27/991385827.db2.gz ZLPORMAIIJJCEB-UHFFFAOYSA-N 1 0 369.444 2.542 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2OC)c1 ZINC000182442955 992048533 /nfs/dbraw/zinc/04/85/33/992048533.db2.gz HCTTZVYSPOMTDT-UONOGXRCSA-N 1 0 358.438 2.937 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(C)ccn3)cc2F)CC1 ZINC000184167386 992702564 /nfs/dbraw/zinc/70/25/64/992702564.db2.gz OEFMJNSIXMFJEG-UHFFFAOYSA-N 1 0 371.460 2.993 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000763814075 993289305 /nfs/dbraw/zinc/28/93/05/993289305.db2.gz OHHQGXBUSWELMS-HXUWFJFHSA-N 1 0 373.541 2.992 20 10 FFCDRO COc1ccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000880313499 1015804982 /nfs/dbraw/zinc/80/49/82/1015804982.db2.gz BLFYATIRJYYTMR-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3cccc(C)c3O)c2)n1 ZINC000809762334 994606146 /nfs/dbraw/zinc/60/61/46/994606146.db2.gz LJHBVNBEOFNFEG-UHFFFAOYSA-N 1 0 366.421 2.952 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1c1ccccc1 ZINC000810165244 994713730 /nfs/dbraw/zinc/71/37/30/994713730.db2.gz MYUDDDSIWBXFGU-DENIHFKCSA-N 1 0 370.468 2.918 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593298875 994718236 /nfs/dbraw/zinc/71/82/36/994718236.db2.gz OIKHEVFSJWUADO-HNNXBMFYSA-N 1 0 369.465 2.693 20 10 FFCDRO CCCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082612885 995089325 /nfs/dbraw/zinc/08/93/25/995089325.db2.gz QZHAHQJIROQBKA-DNVCBOLYSA-N 1 0 370.497 2.930 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2C)cc1C ZINC001082638493 995151336 /nfs/dbraw/zinc/15/13/36/995151336.db2.gz NOJVSLRFXSGNTR-ZLLBNUPZSA-N 1 0 372.509 2.899 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)C1 ZINC000811486547 995156307 /nfs/dbraw/zinc/15/63/07/995156307.db2.gz LISMIKXSSYZIMM-OAQYLSRUSA-N 1 0 363.505 2.893 20 10 FFCDRO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)n(C)n1 ZINC001082821607 995575653 /nfs/dbraw/zinc/57/56/53/995575653.db2.gz BMQOFFZBUCTCGC-CRAIPNDOSA-N 1 0 370.497 2.550 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N3CC[NH+](CC(C)C)CC3)C2)cc1 ZINC000824693783 997058877 /nfs/dbraw/zinc/05/88/77/997058877.db2.gz NFBMDEOQAAUHJU-SFHVURJKSA-N 1 0 374.529 2.505 20 10 FFCDRO COc1ccc2c(c1)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000824910412 997134269 /nfs/dbraw/zinc/13/42/69/997134269.db2.gz WKUJUDNQATTWJX-UHFFFAOYSA-N 1 0 367.493 2.842 20 10 FFCDRO c1cc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CCO2)ccn1 ZINC000824948560 997155437 /nfs/dbraw/zinc/15/54/37/997155437.db2.gz RFLCNETYSWMUNO-TZIWHRDSSA-N 1 0 353.466 2.928 20 10 FFCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@@H]1n1cccn1 ZINC000825118550 997219531 /nfs/dbraw/zinc/21/95/31/997219531.db2.gz UJLKOKVMKQHEQR-XWIAVFTESA-N 1 0 359.426 2.604 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000825164054 997253866 /nfs/dbraw/zinc/25/38/66/997253866.db2.gz ZWUCIUUJDVUQRP-CQSZACIVSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000844853710 998196124 /nfs/dbraw/zinc/19/61/24/998196124.db2.gz CGUVCFXCJTYJAY-UHFFFAOYSA-N 1 0 362.518 2.646 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2F)C[C@H](C)O1 ZINC000731871031 998313526 /nfs/dbraw/zinc/31/35/26/998313526.db2.gz UROOJILDXDKFPM-ZRGWGRIASA-N 1 0 363.477 2.540 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@H]21 ZINC001144504576 998611793 /nfs/dbraw/zinc/61/17/93/998611793.db2.gz VWPVVYPTKCTEIU-IUODEOHRSA-N 1 0 364.442 2.635 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2c(O)cc(O)cc2O)C1 ZINC001144503823 998611966 /nfs/dbraw/zinc/61/19/66/998611966.db2.gz DWHVQDCDYFWIJS-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@@H]21 ZINC001144504578 998612317 /nfs/dbraw/zinc/61/23/17/998612317.db2.gz VWPVVYPTKCTEIU-WFASDCNBSA-N 1 0 364.442 2.635 20 10 FFCDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504115 998612438 /nfs/dbraw/zinc/61/24/38/998612438.db2.gz MEBKDEGSKZICFQ-OLZOCXBDSA-N 1 0 366.458 2.929 20 10 FFCDRO O=C1CC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)Oc2ccccc21 ZINC001144509129 998622325 /nfs/dbraw/zinc/62/23/25/998622325.db2.gz LRNMCKOVYJHCMB-UHFFFAOYSA-N 1 0 355.390 2.803 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)c(O)c1 ZINC001144514787 998626526 /nfs/dbraw/zinc/62/65/26/998626526.db2.gz RYHMNXJGDJFHQP-UHFFFAOYSA-N 1 0 370.236 2.827 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733330746 998964693 /nfs/dbraw/zinc/96/46/93/998964693.db2.gz LFTPVGCONXMJBP-UHFFFAOYSA-N 1 0 374.506 2.610 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C(C)C)CC1)cc2=O ZINC000734152924 999205286 /nfs/dbraw/zinc/20/52/86/999205286.db2.gz WLNTYZIJRGGWGE-AWEZNQCLSA-N 1 0 360.458 2.870 20 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/nfs/dbraw/zinc/25/08/64/1000250864.db2.gz BPMDIOWUEVNALO-WBVHZDCISA-N 1 0 355.390 2.884 20 10 FFCDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768463362 1000262910 /nfs/dbraw/zinc/26/29/10/1000262910.db2.gz HKYTZRSZSQTZNR-SUMWQHHRSA-N 1 0 363.454 2.762 20 10 FFCDRO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000846674251 1000405868 /nfs/dbraw/zinc/40/58/68/1000405868.db2.gz VKBUMIIVRVKDCE-CQSZACIVSA-N 1 0 367.440 2.763 20 10 FFCDRO C[C@@H](NC(=O)c1ccccc1CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000846672230 1000405872 /nfs/dbraw/zinc/40/58/72/1000405872.db2.gz DSZZNGUYJIMZGX-MRXNPFEDSA-N 1 0 353.466 2.515 20 10 FFCDRO CN(CC(F)F)C1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000769510011 1000537388 /nfs/dbraw/zinc/53/73/88/1000537388.db2.gz MYTODZOFCHFMEK-UHFFFAOYSA-N 1 0 371.447 2.824 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000691473574 1000620067 /nfs/dbraw/zinc/62/00/67/1000620067.db2.gz GUOGUEJEYAARQN-MRXNPFEDSA-N 1 0 350.459 2.680 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCN1C1CCCCC1 ZINC000785547235 1001451813 /nfs/dbraw/zinc/45/18/13/1001451813.db2.gz DSIYGPZACULQLK-OAQYLSRUSA-N 1 0 371.525 2.937 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1F ZINC000786226223 1001559644 /nfs/dbraw/zinc/55/96/44/1001559644.db2.gz DLWRMKITTDHMOL-UHFFFAOYSA-N 1 0 372.488 2.995 20 10 FFCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccn1 ZINC000790008986 1002259079 /nfs/dbraw/zinc/25/90/79/1002259079.db2.gz FYVCPLQPQLLESS-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO COc1ccc([C@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+]2CCCC2)cc1 ZINC000790065258 1002274862 /nfs/dbraw/zinc/27/48/62/1002274862.db2.gz KPWVTUCCDCRCBU-INIZCTEOSA-N 1 0 374.412 2.812 20 10 FFCDRO Cn1ccc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2c1=O ZINC000790636936 1002440993 /nfs/dbraw/zinc/44/09/93/1002440993.db2.gz BJOJCLFEQXTVJE-UHFFFAOYSA-N 1 0 362.477 2.902 20 10 FFCDRO COC(=O)c1oc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1C ZINC001184218312 1002530242 /nfs/dbraw/zinc/53/02/42/1002530242.db2.gz MBLPHNSGJPCGFJ-SFHVURJKSA-N 1 0 359.470 2.833 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1F ZINC000746976061 1002574575 /nfs/dbraw/zinc/57/45/75/1002574575.db2.gz TXBYYKSYVCSDCT-SFHVURJKSA-N 1 0 372.488 2.864 20 10 FFCDRO COCCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774978199 1003195901 /nfs/dbraw/zinc/19/59/01/1003195901.db2.gz RGWUWYMFORBVQX-UHFFFAOYSA-N 1 0 362.382 2.624 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c(O)c1 ZINC000792885603 1003219090 /nfs/dbraw/zinc/21/90/90/1003219090.db2.gz XOVTVSIFDPGPMA-QGZVFWFLSA-N 1 0 373.453 2.939 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000792920589 1003232239 /nfs/dbraw/zinc/23/22/39/1003232239.db2.gz ZBWWXGYVIFKAKS-ZVZYQTTQSA-N 1 0 364.461 2.730 20 10 FFCDRO Fc1cc(C[NH2+]CC2(F)CC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000792928173 1003236351 /nfs/dbraw/zinc/23/63/51/1003236351.db2.gz ITJUKQAPBIHYAA-UHFFFAOYSA-N 1 0 359.424 2.534 20 10 FFCDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775011805 1003291883 /nfs/dbraw/zinc/29/18/83/1003291883.db2.gz DSSJOCVSEUWXHK-UHFFFAOYSA-N 1 0 363.326 2.516 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804852610 1003888982 /nfs/dbraw/zinc/88/89/82/1003888982.db2.gz KVUPSQYXLJEMQV-YKNXIFKJSA-N 1 0 359.426 2.844 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000806810106 1004422047 /nfs/dbraw/zinc/42/20/47/1004422047.db2.gz GEPFVYACTGJTRP-HNAYVOBHSA-N 1 0 369.465 2.863 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775830931 1004527744 /nfs/dbraw/zinc/52/77/44/1004527744.db2.gz NLQKMHDNDRYGDX-KSSFIOAISA-N 1 0 359.426 2.751 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000775834696 1004563044 /nfs/dbraw/zinc/56/30/44/1004563044.db2.gz CTUMLJFKGDVZCC-HNAYVOBHSA-N 1 0 353.466 2.523 20 10 FFCDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775836020 1004564784 /nfs/dbraw/zinc/56/47/84/1004564784.db2.gz XIOFTGWENJYOSN-MGPUTAFESA-N 1 0 371.481 2.802 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000775835735 1004564854 /nfs/dbraw/zinc/56/48/54/1004564854.db2.gz WMCNUKMBSSPIKZ-HNNXBMFYSA-N 1 0 359.445 2.738 20 10 FFCDRO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)C1CC1 ZINC000808226367 1004779066 /nfs/dbraw/zinc/77/90/66/1004779066.db2.gz LORREZQFHHRDBM-OAHLLOKOSA-N 1 0 374.506 2.839 20 10 FFCDRO CCn1nccc1NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000776024029 1005027330 /nfs/dbraw/zinc/02/73/30/1005027330.db2.gz UKEIICBZSZEQSI-UHFFFAOYSA-N 1 0 374.464 2.506 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(F)c(OC)c3)CC2)cc1 ZINC001199793087 1005030179 /nfs/dbraw/zinc/03/01/79/1005030179.db2.gz WUAVAWMNHDNFFQ-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(C2CCOCC2)n1 ZINC001199831033 1005035711 /nfs/dbraw/zinc/03/57/11/1005035711.db2.gz WXNPGFYNFCLLFY-UHFFFAOYSA-N 1 0 354.498 2.986 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000776161448 1005208499 /nfs/dbraw/zinc/20/84/99/1005208499.db2.gz WYTZUWOWQNJDKT-LEWJYISDSA-N 1 0 373.541 2.755 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(=O)n3ccccc3n2)c(O)c(C(C)(C)C)c1 ZINC000850340416 1005808620 /nfs/dbraw/zinc/80/86/20/1005808620.db2.gz ZZXNAQUCYKLOTP-UHFFFAOYSA-N 1 0 367.449 2.996 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000850344664 1005809032 /nfs/dbraw/zinc/80/90/32/1005809032.db2.gz RJVWNURYNLRSLO-QFBILLFUSA-N 1 0 363.458 2.726 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1O ZINC000850359709 1005811196 /nfs/dbraw/zinc/81/11/96/1005811196.db2.gz OVCVODRGOBLVLJ-HNNXBMFYSA-N 1 0 356.422 2.695 20 10 FFCDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000850384488 1005812432 /nfs/dbraw/zinc/81/24/32/1005812432.db2.gz MGIAOBKFLPEFJU-AZUAARDMSA-N 1 0 372.488 2.897 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c3ccccc3)C2)cc1 ZINC000850487481 1005818138 /nfs/dbraw/zinc/81/81/38/1005818138.db2.gz HDSKDAIVDLIGKX-DLBZAZTESA-N 1 0 374.506 2.726 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000007588095 1005839765 /nfs/dbraw/zinc/83/97/65/1005839765.db2.gz FGIPWWDZVKIPJK-KRWDZBQOSA-N 1 0 353.466 2.695 20 10 FFCDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000851630397 1005901319 /nfs/dbraw/zinc/90/13/19/1005901319.db2.gz LCHXLZRXFYIVQE-IBGZPJMESA-N 1 0 369.440 2.513 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000851639955 1005901966 /nfs/dbraw/zinc/90/19/66/1005901966.db2.gz NNYAMBCCHHBAJP-XLIONFOSSA-N 1 0 353.466 2.870 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccnc(C4CC4)n3)CC2)cc1 ZINC000110120343 1005905911 /nfs/dbraw/zinc/90/59/11/1005905911.db2.gz RQKPOSUOXKZKQI-UHFFFAOYSA-N 1 0 367.497 2.987 20 10 FFCDRO NC(=O)[C@](O)(C[N@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000851771831 1005912790 /nfs/dbraw/zinc/91/27/90/1005912790.db2.gz PURBZXQEISYAFP-NRFANRHFSA-N 1 0 354.450 2.510 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000852138078 1005944594 /nfs/dbraw/zinc/94/45/94/1005944594.db2.gz GFISRMDOLKOJFC-FQEVSTJZSA-N 1 0 368.525 2.984 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000852457518 1006037840 /nfs/dbraw/zinc/03/78/40/1006037840.db2.gz XCQYHJIGNGIPRF-GOSISDBHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000852465267 1006038308 /nfs/dbraw/zinc/03/83/08/1006038308.db2.gz DGZMLXQLMRHVTC-KRWDZBQOSA-N 1 0 374.529 2.836 20 10 FFCDRO CCN(C)c1ccc(Cn2cc(COc3ccc(C[NH3+])cc3)nn2)cc1 ZINC000881314050 1006040387 /nfs/dbraw/zinc/04/03/87/1006040387.db2.gz ZHIADALBDYIRIN-UHFFFAOYSA-N 1 0 351.454 2.820 20 10 FFCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000813856916 1006056896 /nfs/dbraw/zinc/05/68/96/1006056896.db2.gz DTQMUKFBDFTNRW-BBRMVZONSA-N 1 0 367.440 2.904 20 10 FFCDRO C[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000852796463 1006187473 /nfs/dbraw/zinc/18/74/73/1006187473.db2.gz TURICFMXOPTFNV-AWEZNQCLSA-N 1 0 371.506 2.721 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000111512014 1006506044 /nfs/dbraw/zinc/50/60/44/1006506044.db2.gz JGCLLXXZIXGMOA-IBGZPJMESA-N 1 0 374.529 2.838 20 10 FFCDRO Cc1ccc2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn2c1 ZINC001134882034 1006525111 /nfs/dbraw/zinc/52/51/11/1006525111.db2.gz KJRAZSVRKYESSZ-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883421133 1006786694 /nfs/dbraw/zinc/78/66/94/1006786694.db2.gz CRIPSVISZUCNEX-IBGZPJMESA-N 1 0 374.529 2.504 20 10 FFCDRO CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H](CO)C[NH+](C)C)cc1 ZINC000854466317 1006843411 /nfs/dbraw/zinc/84/34/11/1006843411.db2.gz AJWRFJZLMBJDFY-MRXNPFEDSA-N 1 0 369.469 2.820 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCC(F)(F)C3)cc2)CC1 ZINC000883668073 1006938962 /nfs/dbraw/zinc/93/89/62/1006938962.db2.gz MXVYEXRTXXDMEM-INIZCTEOSA-N 1 0 366.456 2.673 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000775254147 1007101489 /nfs/dbraw/zinc/10/14/89/1007101489.db2.gz HWKNXKJIRHWJBP-QGZVFWFLSA-N 1 0 365.477 2.763 20 10 FFCDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775256024 1007108652 /nfs/dbraw/zinc/10/86/52/1007108652.db2.gz SZHPKELYMHWITM-INIZCTEOSA-N 1 0 369.465 2.821 20 10 FFCDRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000775256928 1007112341 /nfs/dbraw/zinc/11/23/41/1007112341.db2.gz AHMDSBWOUDHYPD-KRWDZBQOSA-N 1 0 359.514 2.821 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)Cc1ccccc1 ZINC000816624836 1007124437 /nfs/dbraw/zinc/12/44/37/1007124437.db2.gz IZTDMRWHVMZBLU-LJQANCHMSA-N 1 0 358.457 2.698 20 10 FFCDRO COc1ccc2c(c1)CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC000884010875 1007138055 /nfs/dbraw/zinc/13/80/55/1007138055.db2.gz NRTBUBUTDRRJGG-NQIIRXRSSA-N 1 0 367.493 2.682 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000816641300 1007146659 /nfs/dbraw/zinc/14/66/59/1007146659.db2.gz NUGVKWIQEIGVFM-LJQANCHMSA-N 1 0 354.450 2.724 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2)c1 ZINC000775368620 1007512397 /nfs/dbraw/zinc/51/23/97/1007512397.db2.gz CCAZVUWZUYRSQT-STQMWFEESA-N 1 0 357.410 2.788 20 10 FFCDRO COc1cc(Br)cc(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206344041 1032243322 /nfs/dbraw/zinc/24/33/22/1032243322.db2.gz LUHQSWMMXUJGOP-HNNXBMFYSA-N 1 0 361.255 2.816 20 10 FFCDRO CC(C)(CC[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817876914 1007793619 /nfs/dbraw/zinc/79/36/19/1007793619.db2.gz PBZKZNSNGGJNGB-UHFFFAOYSA-N 1 0 370.444 2.683 20 10 FFCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000817997608 1007828749 /nfs/dbraw/zinc/82/87/49/1007828749.db2.gz SGVHTYVETXFCGB-QFIPXVFZSA-N 1 0 350.462 2.819 20 10 FFCDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000818013036 1007854984 /nfs/dbraw/zinc/85/49/84/1007854984.db2.gz XIAKQNNTKLOUJK-LJQANCHMSA-N 1 0 355.482 2.901 20 10 FFCDRO Nc1ccc(CCNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000818655062 1007960865 /nfs/dbraw/zinc/96/08/65/1007960865.db2.gz HYMFEQPRHGHHRX-PZJWPPBQSA-N 1 0 364.493 2.727 20 10 FFCDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)c1 ZINC000819078159 1008038743 /nfs/dbraw/zinc/03/87/43/1008038743.db2.gz SHUMMTXJKAPHDG-HXUWFJFHSA-N 1 0 356.466 2.793 20 10 FFCDRO C[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)[N@H+](C)Cc1ccccc1 ZINC000819168443 1008055447 /nfs/dbraw/zinc/05/54/47/1008055447.db2.gz QIQDQZSAQZGSAB-MRXNPFEDSA-N 1 0 367.449 2.677 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C3C[NH+](C4CCCCC4)C3)C2)cc1 ZINC000819586538 1008184400 /nfs/dbraw/zinc/18/44/00/1008184400.db2.gz APLPOZDUTHEKKF-QGZVFWFLSA-N 1 0 371.525 2.902 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000819696032 1008208204 /nfs/dbraw/zinc/20/82/04/1008208204.db2.gz IRVRJMJSRZEJPM-JYJNAYRXSA-N 1 0 362.470 2.545 20 10 FFCDRO C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000115811038 1008289901 /nfs/dbraw/zinc/28/99/01/1008289901.db2.gz CROYDDXVZVOGCH-MSOLQXFVSA-N 1 0 374.529 2.567 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1F ZINC000858178670 1008318545 /nfs/dbraw/zinc/31/85/45/1008318545.db2.gz ZZJNARVPUMPPPU-QGZVFWFLSA-N 1 0 370.440 2.536 20 10 FFCDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000858249993 1008333192 /nfs/dbraw/zinc/33/31/92/1008333192.db2.gz FRSDWWCTCLBKAM-UHFFFAOYSA-N 1 0 371.456 2.935 20 10 FFCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858504747 1008370898 /nfs/dbraw/zinc/37/08/98/1008370898.db2.gz XODGHQDGKUASAZ-RHSMWYFYSA-N 1 0 362.445 2.965 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000859361259 1008506618 /nfs/dbraw/zinc/50/66/18/1008506618.db2.gz FNQBWCGKOKXTJB-HXUWFJFHSA-N 1 0 353.466 2.660 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)C1 ZINC001177428747 1008619826 /nfs/dbraw/zinc/61/98/26/1008619826.db2.gz GHEZSKCXJJDAFJ-INIZCTEOSA-N 1 0 359.420 2.956 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(F)c1 ZINC000886324954 1008637825 /nfs/dbraw/zinc/63/78/25/1008637825.db2.gz NPDZCELCYQVKGH-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC[C@@]4(CO[C@@H](C)C4)O3)CC2)cc1 ZINC000886329808 1008639819 /nfs/dbraw/zinc/63/98/19/1008639819.db2.gz JNCJBDPNBCOTCM-ORYQWCPZSA-N 1 0 360.498 2.980 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCc4cccnc43)cc2)C1 ZINC000886508716 1008707154 /nfs/dbraw/zinc/70/71/54/1008707154.db2.gz LKBYREAAQZFZKR-MJGOQNOKSA-N 1 0 350.466 2.560 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000886510111 1008709584 /nfs/dbraw/zinc/70/95/84/1008709584.db2.gz URLNWMPMDKYVBO-HNNXBMFYSA-N 1 0 355.438 2.556 20 10 FFCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000886749007 1008859246 /nfs/dbraw/zinc/85/92/46/1008859246.db2.gz GFBPDTOPWNUGMH-UHFFFAOYSA-N 1 0 359.514 2.824 20 10 FFCDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749293 1008859605 /nfs/dbraw/zinc/85/96/05/1008859605.db2.gz OOFKRJJTSXLDHJ-YLJYHZDGSA-N 1 0 359.514 2.683 20 10 FFCDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886751237 1008859715 /nfs/dbraw/zinc/85/97/15/1008859715.db2.gz LCRNOQSVUSSJKY-GOSISDBHSA-N 1 0 361.530 2.929 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]2CCCO[C@H]21 ZINC000886749552 1008859956 /nfs/dbraw/zinc/85/99/56/1008859956.db2.gz WMECLVWIONMEOC-VAMGGRTRSA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000860242401 1008908817 /nfs/dbraw/zinc/90/88/17/1008908817.db2.gz QJCJIBQBZIACJN-MDASCCDHSA-N 1 0 354.450 2.923 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823726696 1009205286 /nfs/dbraw/zinc/20/52/86/1009205286.db2.gz WUCZDQBCVSWRHQ-ROUUACIJSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1nccnc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823764588 1009218224 /nfs/dbraw/zinc/21/82/24/1009218224.db2.gz ANNRKOGQRJNXDK-UHFFFAOYSA-N 1 0 364.396 2.845 20 10 FFCDRO COC1CCC(N(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889670220 1010049590 /nfs/dbraw/zinc/04/95/90/1010049590.db2.gz ZPVFIBFGUIHBFF-UHFFFAOYSA-N 1 0 374.529 2.537 20 10 FFCDRO Cc1cc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC000863166425 1010121607 /nfs/dbraw/zinc/12/16/07/1010121607.db2.gz ZQTJSDLXOMXJIO-INIZCTEOSA-N 1 0 355.482 2.679 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3nccnn3)CC1)oc1ccccc12 ZINC000863275567 1010154526 /nfs/dbraw/zinc/15/45/26/1010154526.db2.gz ZNQKDPYSTXCBNT-UHFFFAOYSA-N 1 0 361.405 2.799 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC[C@@H]3CC=CCC3)CC2)cc1 ZINC000863578606 1010261881 /nfs/dbraw/zinc/26/18/81/1010261881.db2.gz PWHFEHPVBOEGED-TZIWHRDSSA-N 1 0 373.541 2.514 20 10 FFCDRO COC(=O)[C@]12C[N@H+](Cc3c(O)ccc4ccc(OC)cc43)C[C@H]1COCC2 ZINC000794677469 1010466546 /nfs/dbraw/zinc/46/65/46/1010466546.db2.gz GCIXSCYVGOPHLC-YCRPNKLZSA-N 1 0 371.433 2.566 20 10 FFCDRO CCn1nccc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093734598 1010511257 /nfs/dbraw/zinc/51/12/57/1010511257.db2.gz HDRBQTKIDKDYGS-SJLPKXTDSA-N 1 0 370.497 2.718 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2C)cc1C ZINC001093758936 1010530233 /nfs/dbraw/zinc/53/02/33/1010530233.db2.gz DHXHHXJBFMMZHR-BMFZPTHFSA-N 1 0 352.425 2.843 20 10 FFCDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000794800986 1010632516 /nfs/dbraw/zinc/63/25/16/1010632516.db2.gz GGPPBIOLUPRCRN-SFHVURJKSA-N 1 0 358.461 2.688 20 10 FFCDRO O=c1[nH]ccc2oc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cc21 ZINC000865632791 1010831440 /nfs/dbraw/zinc/83/14/40/1010831440.db2.gz SYNNZVYGWZXVPN-UHFFFAOYSA-N 1 0 353.422 2.784 20 10 FFCDRO CC(=O)NCC1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000866243217 1010961027 /nfs/dbraw/zinc/96/10/27/1010961027.db2.gz WONBGCAXXUGMIO-VQSBYGRUSA-N 1 0 359.514 2.869 20 10 FFCDRO CCOC(=O)C1(C)CC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000866244535 1010961042 /nfs/dbraw/zinc/96/10/42/1010961042.db2.gz PWKJXTAHNVHFPF-UHFFFAOYSA-N 1 0 360.498 2.717 20 10 FFCDRO Cc1cccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000866266024 1010965510 /nfs/dbraw/zinc/96/55/10/1010965510.db2.gz CHSLJEYXEOBEKN-GOSISDBHSA-N 1 0 372.534 2.951 20 10 FFCDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(N2CCCCCC2)cc1 ZINC000866519640 1011008236 /nfs/dbraw/zinc/00/82/36/1011008236.db2.gz SXKUKLRZLAZJLY-UWJYYQICSA-N 1 0 373.497 2.939 20 10 FFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCCN2C ZINC001275027287 1011827467 /nfs/dbraw/zinc/82/74/67/1011827467.db2.gz SJEDMRNOFRMBTK-KBAYOESNSA-N 1 0 357.498 2.879 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)C(=O)N1CC1CCCC1 ZINC001275232754 1012114777 /nfs/dbraw/zinc/11/47/77/1012114777.db2.gz ZYJBBWCSXMXBBZ-NRFANRHFSA-N 1 0 356.466 2.924 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1 ZINC001275238537 1012122140 /nfs/dbraw/zinc/12/21/40/1012122140.db2.gz KNEIVZDUXIOEGK-CQSZACIVSA-N 1 0 356.388 2.981 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001275248289 1012137457 /nfs/dbraw/zinc/13/74/57/1012137457.db2.gz MYIPXQDCSUYBMK-WBMJQRKESA-N 1 0 364.873 2.741 20 10 FFCDRO COc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c1O ZINC001275245006 1012139757 /nfs/dbraw/zinc/13/97/57/1012139757.db2.gz VHSAWLNIOFPVRN-SFHVURJKSA-N 1 0 354.397 2.623 20 10 FFCDRO CCN(CCO)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796354975 1012305803 /nfs/dbraw/zinc/30/58/03/1012305803.db2.gz ANNKNDSMCRLDIX-UHFFFAOYSA-N 1 0 353.510 2.653 20 10 FFCDRO COc1cc(N2CC[NH+](CCC[C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000828262862 1032641620 /nfs/dbraw/zinc/64/16/20/1032641620.db2.gz BXLJXIMCYZRWRP-INIZCTEOSA-N 1 0 364.486 2.651 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2F)C[C@H](C)O1 ZINC000870869441 1012612498 /nfs/dbraw/zinc/61/24/98/1012612498.db2.gz SHEMYOQCAJVDNH-MDBPOYHNSA-N 1 0 363.477 2.573 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)cc(O)c1O ZINC001275675673 1012824578 /nfs/dbraw/zinc/82/45/78/1012824578.db2.gz IEROMUKVPCOASW-UHFFFAOYSA-N 1 0 362.470 2.577 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(O)c(O)c(OC)c1 ZINC001275675224 1012832002 /nfs/dbraw/zinc/83/20/02/1012832002.db2.gz BKMZOCVRNWKZFD-VBKZILBWSA-N 1 0 362.470 2.862 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC=C(C)C)cc(O)c1O ZINC001275676686 1012836079 /nfs/dbraw/zinc/83/60/79/1012836079.db2.gz RKRVAIBEHSWMDM-HZPDHXFCSA-N 1 0 360.454 2.638 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnn2c1CCC2 ZINC000827095500 1017103165 /nfs/dbraw/zinc/10/31/65/1017103165.db2.gz IAQNPAWSPVQLHD-OAHLLOKOSA-N 1 0 374.872 2.583 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000827320934 1017628936 /nfs/dbraw/zinc/62/89/36/1017628936.db2.gz PVGPXGOBUUXSCQ-HXUWFJFHSA-N 1 0 367.518 2.743 20 10 FFCDRO CC1([NH+]2CCC2)CCC(N2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000925262216 1017683629 /nfs/dbraw/zinc/68/36/29/1017683629.db2.gz LJGIKDCNTWQYBC-UHFFFAOYSA-N 1 0 357.454 2.563 20 10 FFCDRO C[C@@H]1CCC[N@H+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000925284194 1017692599 /nfs/dbraw/zinc/69/25/99/1017692599.db2.gz XEMIMKQJMIGLCM-MRXNPFEDSA-N 1 0 359.470 2.669 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000827365404 1017784285 /nfs/dbraw/zinc/78/42/85/1017784285.db2.gz RJDBUMWDDDJMOX-CQSZACIVSA-N 1 0 371.456 2.737 20 10 FFCDRO CC[NH+](CC)Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000801426675 1018976948 /nfs/dbraw/zinc/97/69/48/1018976948.db2.gz IVECFEAOGFAZMI-UHFFFAOYSA-N 1 0 357.406 2.979 20 10 FFCDRO COC(=O)c1cncc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000929317213 1019364267 /nfs/dbraw/zinc/36/42/67/1019364267.db2.gz WLLQNRZSDUDSDX-UHFFFAOYSA-N 1 0 355.438 2.589 20 10 FFCDRO CC(C)C[C@H](NC(=O)C[NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217735885 1032852942 /nfs/dbraw/zinc/85/29/42/1032852942.db2.gz WXQCVLJBDKOTIM-INIZCTEOSA-N 1 0 353.426 2.689 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2)cc1 ZINC000802311485 1019987481 /nfs/dbraw/zinc/98/74/81/1019987481.db2.gz TWOFEQVRIUFSRY-LAUBAEHRSA-N 1 0 374.525 2.821 20 10 FFCDRO CCNc1ccccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000902236923 1019996416 /nfs/dbraw/zinc/99/64/16/1019996416.db2.gz CKHJWONZZBERFW-UHFFFAOYSA-N 1 0 373.522 2.643 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cn(C)nc2C2CC2)[NH+](C)C)cc1 ZINC000931510068 1020497253 /nfs/dbraw/zinc/49/72/53/1020497253.db2.gz SRUJCLOPVRNROT-SFHVURJKSA-N 1 0 370.501 2.788 20 10 FFCDRO COCc1ccnc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000931832626 1020603086 /nfs/dbraw/zinc/60/30/86/1020603086.db2.gz OCWQJPIUBZWTKX-GOSISDBHSA-N 1 0 371.485 2.718 20 10 FFCDRO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900754012 1020631310 /nfs/dbraw/zinc/63/13/10/1020631310.db2.gz HLROZYBSCNMQPO-LEWJYISDSA-N 1 0 371.525 2.528 20 10 FFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903102889 1020679399 /nfs/dbraw/zinc/67/93/99/1020679399.db2.gz CGSLGILVWBXYEO-FNHZYXHNSA-N 1 0 368.424 2.794 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217976754 1032929114 /nfs/dbraw/zinc/92/91/14/1032929114.db2.gz LKKJPVMHMCPZNZ-GDBMZVCRSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CCC[C@@H]3F)ccc(O)c21 ZINC001217980898 1032931223 /nfs/dbraw/zinc/93/12/23/1032931223.db2.gz NFKWIKQDOQCEBA-BBRMVZONSA-N 1 0 355.365 2.637 20 10 FFCDRO Cc1cc(O[C@@H]2CCC[NH2+]CC2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217996791 1032940620 /nfs/dbraw/zinc/94/06/20/1032940620.db2.gz LSDLUIDAUFYNFJ-CYBMUJFWSA-N 1 0 351.402 2.997 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934689556 1021350321 /nfs/dbraw/zinc/35/03/21/1021350321.db2.gz OXCBJVWFOLNGOG-OAQYLSRUSA-N 1 0 352.482 2.847 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218077805 1032982989 /nfs/dbraw/zinc/98/29/89/1032982989.db2.gz CAKSJIGBRHODBV-XOCHXKMASA-N 1 0 366.469 2.988 20 10 FFCDRO CC(C)[C@H](O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001118458875 1022243904 /nfs/dbraw/zinc/24/39/04/1022243904.db2.gz NQBJCDFIEYPLSJ-HXUWFJFHSA-N 1 0 358.482 2.968 20 10 FFCDRO CCOC(=O)[C@H](C)[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218197551 1033042959 /nfs/dbraw/zinc/04/29/59/1033042959.db2.gz QVPAHLMWGNZJSC-IUODEOHRSA-N 1 0 360.376 2.605 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC001118861054 1022447434 /nfs/dbraw/zinc/44/74/34/1022447434.db2.gz WKZCMWIVVGCREO-UHFFFAOYSA-N 1 0 357.454 2.640 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)cc(OC)c1OC ZINC000187549574 1022492657 /nfs/dbraw/zinc/49/26/57/1022492657.db2.gz FJQCXBRHOQSJCN-MRXNPFEDSA-N 1 0 364.486 2.792 20 10 FFCDRO O=c1cc2[nH]c(-c3ccccc3)cc(O)c-2c(O[C@H]2CCC[NH2+]C2)c1O ZINC001218286630 1033085357 /nfs/dbraw/zinc/08/53/57/1033085357.db2.gz HQWATFUEUUTNPV-ZDUSSCGKSA-N 1 0 352.390 2.737 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001218310815 1033098646 /nfs/dbraw/zinc/09/86/46/1033098646.db2.gz AHRIXELNBRLDBN-INIZCTEOSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001122475618 1023292983 /nfs/dbraw/zinc/29/29/83/1023292983.db2.gz FLMXZCSZTSNZCD-UHFFFAOYSA-N 1 0 360.845 2.909 20 10 FFCDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001218395095 1033136414 /nfs/dbraw/zinc/13/64/14/1033136414.db2.gz ZZYZNIOFEFXVJL-YWZLYKJASA-N 1 0 368.437 2.661 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756483516 1023717828 /nfs/dbraw/zinc/71/78/28/1023717828.db2.gz OXFFGERYDVUWNB-HNNXBMFYSA-N 1 0 374.506 2.900 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000756526005 1023723096 /nfs/dbraw/zinc/72/30/96/1023723096.db2.gz PAHZCKSGZQUMEI-OXQOHEQNSA-N 1 0 373.541 2.864 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2COc3cc(OC)ccc3C2)c1 ZINC000756776085 1023753838 /nfs/dbraw/zinc/75/38/38/1023753838.db2.gz WFMIBZIXDHQHAE-WFASDCNBSA-N 1 0 357.406 2.842 20 10 FFCDRO CCOC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000758451124 1024121917 /nfs/dbraw/zinc/12/19/17/1024121917.db2.gz YILREQMRRBHIQQ-UHFFFAOYSA-N 1 0 354.454 2.622 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@](C)([NH3+])c3ccccc3)CC2)cc1 ZINC000192527623 1024208983 /nfs/dbraw/zinc/20/89/83/1024208983.db2.gz JPDWBKFUPAYCNB-NRFANRHFSA-N 1 0 353.466 2.654 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C3(C4CC[NH2+]CC4)CC3)CC2)cc1 ZINC001121996949 1024247106 /nfs/dbraw/zinc/24/71/06/1024247106.db2.gz PHPJYAJVXFPKSH-UHFFFAOYSA-N 1 0 357.498 2.560 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2 ZINC001122025663 1024269003 /nfs/dbraw/zinc/26/90/03/1024269003.db2.gz CWXUCWAPFIJBRE-WBTXTPOCSA-N 1 0 359.514 2.776 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000081513317 1024833642 /nfs/dbraw/zinc/83/36/42/1024833642.db2.gz MJIFWQNWDPDHEX-SFHVURJKSA-N 1 0 356.422 2.647 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)[C@@](O)(C(F)(F)F)CC3)ccc21 ZINC001141140158 1025507714 /nfs/dbraw/zinc/50/77/14/1025507714.db2.gz IVXWDTPXJABNNW-HZPDHXFCSA-N 1 0 362.367 2.743 20 10 FFCDRO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCCN5C)C[C@H]3O2)n1 ZINC001141142231 1025510877 /nfs/dbraw/zinc/51/08/77/1025510877.db2.gz KMRWPQLBDJLIHT-KFKAGJAMSA-N 1 0 370.453 2.559 20 10 FFCDRO O=C(c1ccco1)N1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141158290 1025538939 /nfs/dbraw/zinc/53/89/39/1025538939.db2.gz XKJMNTYFXWLXTH-UHFFFAOYSA-N 1 0 356.422 2.819 20 10 FFCDRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141160316 1025544368 /nfs/dbraw/zinc/54/43/68/1025544368.db2.gz VKGTUTWDSVLMRF-YADHBBJMSA-N 1 0 366.461 2.862 20 10 FFCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000837183924 1025639489 /nfs/dbraw/zinc/63/94/89/1025639489.db2.gz OXEMQJOXEIPMQV-HWKANZROSA-N 1 0 372.387 2.986 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090178632 1026051795 /nfs/dbraw/zinc/05/17/95/1026051795.db2.gz JAIURSIGHWBKDZ-GDBMZVCRSA-N 1 0 363.477 2.712 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1 ZINC000839165283 1026609485 /nfs/dbraw/zinc/60/94/85/1026609485.db2.gz MHESYJJXAKNZLJ-UHFFFAOYSA-N 1 0 361.530 2.504 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1 ZINC000839176288 1026612435 /nfs/dbraw/zinc/61/24/35/1026612435.db2.gz UFKGQWLHFHBAKH-SFFCAUCYSA-N 1 0 360.498 2.771 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000839634134 1026767024 /nfs/dbraw/zinc/76/70/24/1026767024.db2.gz SQAJKVSKIJMEKK-SFTDATJTSA-N 1 0 367.493 2.519 20 10 FFCDRO C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@H+](Cc2ccccc2)C1 ZINC000840136836 1026975662 /nfs/dbraw/zinc/97/56/62/1026975662.db2.gz WTCCSZHILRHUDS-IIBYNOLFSA-N 1 0 368.477 2.772 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000840479673 1027089393 /nfs/dbraw/zinc/08/93/93/1027089393.db2.gz QOSZHXIOZBBMEA-OXQOHEQNSA-N 1 0 358.530 2.870 20 10 FFCDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C)c(O)c1O ZINC000840512288 1027098412 /nfs/dbraw/zinc/09/84/12/1027098412.db2.gz HAGAWOSSUYCBSL-UHFFFAOYSA-N 1 0 360.410 2.608 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3nsnc32)[NH+](C)C)cc1 ZINC001158718391 1027105709 /nfs/dbraw/zinc/10/57/09/1027105709.db2.gz XCIAYNNTKBADAG-KRWDZBQOSA-N 1 0 369.494 2.790 20 10 FFCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000840719021 1027226924 /nfs/dbraw/zinc/22/69/24/1027226924.db2.gz QFHRCYRKAZXDEO-HNNXBMFYSA-N 1 0 373.472 2.911 20 10 FFCDRO CCCCOCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126430 1027227290 /nfs/dbraw/zinc/22/72/90/1027227290.db2.gz VXQBHVJQUHECMI-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CCN(c2ccccc2)CC1 ZINC000097497848 1027443223 /nfs/dbraw/zinc/44/32/23/1027443223.db2.gz PXVDWZGZONGVSA-GOSISDBHSA-N 1 0 351.494 2.922 20 10 FFCDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093281408 1027668943 /nfs/dbraw/zinc/66/89/43/1027668943.db2.gz ZNSRORMOTBRDIW-LJQANCHMSA-N 1 0 373.541 2.898 20 10 FFCDRO COc1cncnc1N[C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001160616919 1027777783 /nfs/dbraw/zinc/77/77/83/1027777783.db2.gz XLDRYIQZDNMJOR-QZTJIDSGSA-N 1 0 352.394 2.750 20 10 FFCDRO Fc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC000093683604 1027798138 /nfs/dbraw/zinc/79/81/38/1027798138.db2.gz ZLSFUDGCRMKDRL-IBGZPJMESA-N 1 0 361.505 2.970 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3cc(C)ccc3O)C2=O)c1 ZINC000093840873 1027850718 /nfs/dbraw/zinc/85/07/18/1027850718.db2.gz ZNOOJNZENJAIMS-IBGZPJMESA-N 1 0 370.449 2.955 20 10 FFCDRO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924264 1027927424 /nfs/dbraw/zinc/92/74/24/1027927424.db2.gz GSJCMKQKRGSNLF-KRWDZBQOSA-N 1 0 374.868 2.857 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001161134778 1028029459 /nfs/dbraw/zinc/02/94/59/1028029459.db2.gz NGUZHADPYQUIID-WIYYLYMNSA-N 1 0 359.514 2.650 20 10 FFCDRO COCCO[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000780490697 1028711690 /nfs/dbraw/zinc/71/16/90/1028711690.db2.gz YQHRMZOSXHSQQU-OAHLLOKOSA-N 1 0 359.422 2.569 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)O2 ZINC000690657812 1028819440 /nfs/dbraw/zinc/81/94/40/1028819440.db2.gz VXCBLFVUTQIODF-QGZVFWFLSA-N 1 0 374.481 2.880 20 10 FFCDRO NC(=O)c1cccc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155641093 1028830849 /nfs/dbraw/zinc/83/08/49/1028830849.db2.gz XMWLXJUWIFEULF-IXIUHKBRSA-N 1 0 352.482 2.580 20 10 FFCDRO COC(=O)c1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC001156656486 1029289894 /nfs/dbraw/zinc/28/98/94/1029289894.db2.gz WEQLVIURFMLCPU-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@]3(CC[C@@H](C)C3)C1)cc2=O ZINC000782106789 1029570909 /nfs/dbraw/zinc/57/09/09/1029570909.db2.gz JQXQDARTDRSLNT-YJYMSZOUSA-N 1 0 358.442 2.624 20 10 FFCDRO [NH3+]CCN(c1cccnc1)c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001158000720 1029705397 /nfs/dbraw/zinc/70/53/97/1029705397.db2.gz VEORJUAOAWSICK-UHFFFAOYSA-N 1 0 360.465 2.527 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3C)C2=O)cc1 ZINC000840933537 1029931390 /nfs/dbraw/zinc/93/13/90/1029931390.db2.gz GOFHWHOBIOEYBF-NRFANRHFSA-N 1 0 367.493 2.960 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3C)C2=O)cc1 ZINC000840933540 1029931461 /nfs/dbraw/zinc/93/14/61/1029931461.db2.gz GOFHWHOBIOEYBF-OAQYLSRUSA-N 1 0 367.493 2.960 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000840949440 1029941207 /nfs/dbraw/zinc/94/12/07/1029941207.db2.gz WBGVSOQDJFRWBT-OAQYLSRUSA-N 1 0 351.494 2.994 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2)CC1 ZINC000840997931 1029967235 /nfs/dbraw/zinc/96/72/35/1029967235.db2.gz ZBFQHSBPEPNQKJ-RLLQIKCJSA-N 1 0 357.498 2.656 20 10 FFCDRO COc1ccc(N(Cc2ccccc2)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003455 1029969481 /nfs/dbraw/zinc/96/94/81/1029969481.db2.gz UHYZWVPTPHHCJV-LJQANCHMSA-N 1 0 367.493 2.899 20 10 FFCDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000841143534 1030070964 /nfs/dbraw/zinc/07/09/64/1030070964.db2.gz MEPYEGWDLVAXED-CQSZACIVSA-N 1 0 351.410 2.990 20 10 FFCDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(N)cc3)cc2)CC1 ZINC000841301817 1030172837 /nfs/dbraw/zinc/17/28/37/1030172837.db2.gz DODMLWJAEUAXTD-UHFFFAOYSA-N 1 0 367.497 2.728 20 10 FFCDRO C[NH2+]Cc1cccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000841312658 1030185132 /nfs/dbraw/zinc/18/51/32/1030185132.db2.gz GYLLJWUGKQJVKA-UHFFFAOYSA-N 1 0 368.481 2.907 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@H](C)O1 ZINC000783970291 1030371395 /nfs/dbraw/zinc/37/13/95/1030371395.db2.gz ZPQITYZWFLOPBO-DZGCQCFKSA-N 1 0 359.422 2.568 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841707726 1030420484 /nfs/dbraw/zinc/42/04/84/1030420484.db2.gz YLXUTAKCUAVBAQ-FQEVSTJZSA-N 1 0 374.554 2.525 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCc3ccc4c(c3)C[NH2+]C4)ccc21 ZINC000841760516 1030448173 /nfs/dbraw/zinc/44/81/73/1030448173.db2.gz WMJSXDHCSDHYEG-UHFFFAOYSA-N 1 0 350.466 2.672 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)ccc21 ZINC000841760316 1030448226 /nfs/dbraw/zinc/44/82/26/1030448226.db2.gz UNULDLGZOONUQB-IBGZPJMESA-N 1 0 356.514 2.600 20 10 FFCDRO Cc1ccc([C@H](CNC(=O)NCCc2ccc(N)cc2)[NH+]2CCCC2)o1 ZINC000841775956 1030457983 /nfs/dbraw/zinc/45/79/83/1030457983.db2.gz YQDUHQJEMGLHAO-SFHVURJKSA-N 1 0 356.470 2.849 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841831798 1030493539 /nfs/dbraw/zinc/49/35/39/1030493539.db2.gz FXLVFGLGWRVXHF-UHFFFAOYSA-N 1 0 354.498 2.738 20 10 FFCDRO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843702 1030498509 /nfs/dbraw/zinc/49/85/09/1030498509.db2.gz MIZAUQQFOUDLND-KGLIPLIRSA-N 1 0 370.444 2.683 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000841997683 1030573089 /nfs/dbraw/zinc/57/30/89/1030573089.db2.gz OSNMCWZFYJOPNT-ACJLOTCBSA-N 1 0 355.438 2.648 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000842160316 1030629543 /nfs/dbraw/zinc/62/95/43/1030629543.db2.gz HEBQILMTASQAHK-UHFFFAOYSA-N 1 0 359.514 2.745 20 10 FFCDRO O=C1N(Cc2cccnc2)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203551934 1030758542 /nfs/dbraw/zinc/75/85/42/1030758542.db2.gz UDMPXDVHWQLSSO-UHFFFAOYSA-N 1 0 351.450 2.802 20 10 FFCDRO Cc1nc(CN2CC[C@]3(C2)COCC[N@H+](Cc2ccccc2O)C3)cs1 ZINC001203552191 1030759853 /nfs/dbraw/zinc/75/98/53/1030759853.db2.gz DJJAMZSNMWNKAA-HXUWFJFHSA-N 1 0 373.522 2.882 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@H]3C[N@H+](Cc4ccccc4O)CCN3C2)n1 ZINC001203551760 1030760213 /nfs/dbraw/zinc/76/02/13/1030760213.db2.gz MUJGCAICQJATON-PMACEKPBSA-N 1 0 353.466 2.571 20 10 FFCDRO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2ccccc2O)C3)n1 ZINC001203552690 1030763584 /nfs/dbraw/zinc/76/35/84/1030763584.db2.gz QMQYAMQAJQWHMD-NQIIRXRSSA-N 1 0 354.450 2.761 20 10 FFCDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203577688 1030768717 /nfs/dbraw/zinc/76/87/17/1030768717.db2.gz DSPOGBMXVYFTHH-JKSUJKDBSA-N 1 0 358.313 2.909 20 10 FFCDRO COc1cccc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)c1O ZINC001203590007 1030771730 /nfs/dbraw/zinc/77/17/30/1030771730.db2.gz QJTMUIPTBOPSNU-ROUUACIJSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1O ZINC001203591182 1030774573 /nfs/dbraw/zinc/77/45/73/1030774573.db2.gz DDWZRSFEGBTRID-HXUWFJFHSA-N 1 0 354.454 2.683 20 10 FFCDRO COc1cccc(C[NH+]2CC3(C2)CCN(Cc2csc(C)n2)C3)c1O ZINC001203592983 1030775210 /nfs/dbraw/zinc/77/52/10/1030775210.db2.gz JBUODRBOHSUXSQ-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001203593021 1030775904 /nfs/dbraw/zinc/77/59/04/1030775904.db2.gz YCDVUSLTSVITGY-QVKFZJNVSA-N 1 0 367.449 2.671 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1O ZINC001203610155 1030785699 /nfs/dbraw/zinc/78/56/99/1030785699.db2.gz XESLGGRULMGJOE-GOEBONIOSA-N 1 0 356.422 2.730 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC(=O)OC(C)(C)C)c1O ZINC001203614590 1030786896 /nfs/dbraw/zinc/78/68/96/1030786896.db2.gz AMBOKGGCXSJOIT-AWEZNQCLSA-N 1 0 364.442 2.807 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c(O)c1 ZINC001203622277 1030793519 /nfs/dbraw/zinc/79/35/19/1030793519.db2.gz WSVKTDAJUZMGCD-LJQANCHMSA-N 1 0 370.449 2.998 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)C[C@@H]1c1ccc(F)cc1 ZINC001203634420 1030798558 /nfs/dbraw/zinc/79/85/58/1030798558.db2.gz FEWPNVDDDIUHCQ-MSOLQXFVSA-N 1 0 359.397 2.929 20 10 FFCDRO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1Cc1cccnc1 ZINC001203655959 1030807845 /nfs/dbraw/zinc/80/78/45/1030807845.db2.gz GKZQCHMBBRJCSO-IAGOWNOFSA-N 1 0 357.841 2.816 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)c1 ZINC001203673175 1030821124 /nfs/dbraw/zinc/82/11/24/1030821124.db2.gz PQRNEGMJZDNUTH-QKNQBKEWSA-N 1 0 370.449 2.997 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1C(=O)OC(C)(C)C ZINC000842616187 1030824568 /nfs/dbraw/zinc/82/45/68/1030824568.db2.gz PUQHKFNINNQCRX-ISTRZQFTSA-N 1 0 363.454 2.618 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1c(O)cccc1OC)Cc1ccc(F)cc1C ZINC000842721388 1030923687 /nfs/dbraw/zinc/92/36/87/1030923687.db2.gz GMBBPLUPOAZKNO-OAHLLOKOSA-N 1 0 360.429 2.543 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1O ZINC001203877995 1030953296 /nfs/dbraw/zinc/95/32/96/1030953296.db2.gz NEGOHJZQFUJVOB-QGZVFWFLSA-N 1 0 356.422 2.695 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000842784477 1030956917 /nfs/dbraw/zinc/95/69/17/1030956917.db2.gz KCQSNEVJTMAXLD-LJQANCHMSA-N 1 0 373.522 2.610 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000842785626 1030957467 /nfs/dbraw/zinc/95/74/67/1030957467.db2.gz UVZIFNRQWVRQGT-FQEVSTJZSA-N 1 0 373.522 2.610 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)cc1 ZINC001203933519 1030992069 /nfs/dbraw/zinc/99/20/69/1030992069.db2.gz OGWVBFYCZYRZLT-HXUWFJFHSA-N 1 0 364.493 2.786 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)cc1 ZINC001203943483 1031000563 /nfs/dbraw/zinc/00/05/63/1031000563.db2.gz DLVVKQVFDNRTDB-SFHVURJKSA-N 1 0 356.470 2.985 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccc3F)cc2)CC1 ZINC000843066282 1031170388 /nfs/dbraw/zinc/17/03/88/1031170388.db2.gz UBVPVPOLWTXSEI-OAQYLSRUSA-N 1 0 358.457 2.858 20 10 FFCDRO COC(=O)c1ccc(OC2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204275043 1031200542 /nfs/dbraw/zinc/20/05/42/1031200542.db2.gz MGSZPDPXUOCDMU-UHFFFAOYSA-N 1 0 357.406 2.928 20 10 FFCDRO CCn1ncc2c1C[N@H+](Cc1ccc(O)cc1O)C[C@@H]2COCC1CC1 ZINC001204274033 1031202113 /nfs/dbraw/zinc/20/21/13/1031202113.db2.gz ZACBCKBGJXCUGK-MRXNPFEDSA-N 1 0 357.454 2.840 20 10 FFCDRO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274633 1031203015 /nfs/dbraw/zinc/20/30/15/1031203015.db2.gz RMDDMTQOIYAEEF-GOSISDBHSA-N 1 0 352.434 2.736 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001204329233 1031228363 /nfs/dbraw/zinc/22/83/63/1031228363.db2.gz HZMMGRSJYOCLSF-GOSISDBHSA-N 1 0 354.454 2.739 20 10 FFCDRO COc1cc(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)cc(O)c1O ZINC001204342179 1031237737 /nfs/dbraw/zinc/23/77/37/1031237737.db2.gz JLIJQHPKVDQZHR-UHFFFAOYSA-N 1 0 364.442 2.549 20 10 FFCDRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@@H]2C1 ZINC001143105490 1031237751 /nfs/dbraw/zinc/23/77/51/1031237751.db2.gz YMWQIAGYOXFFND-VQIMIIECSA-N 1 0 360.498 2.759 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c1O ZINC001204342079 1031237971 /nfs/dbraw/zinc/23/79/71/1031237971.db2.gz OTGIKRAMTNZFQC-CQSZACIVSA-N 1 0 355.276 2.832 20 10 FFCDRO C[N@H+](Cc1scc2c1OCCO2)Cc1ccc(N2CCOCC2)cc1 ZINC001143186973 1031290869 /nfs/dbraw/zinc/29/08/69/1031290869.db2.gz FYHIWSAMHPTCLK-UHFFFAOYSA-N 1 0 360.479 2.988 20 10 FFCDRO Cc1ccc(C)c(OCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299726 1031296887 /nfs/dbraw/zinc/29/68/87/1031296887.db2.gz WMMIMPNWKHGKJA-LJQANCHMSA-N 1 0 355.482 2.955 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC=C(C)C3)CC2)cc1 ZINC000798105654 1031308140 /nfs/dbraw/zinc/30/81/40/1031308140.db2.gz AKJILAVRLSFEIL-UHFFFAOYSA-N 1 0 372.513 2.569 20 10 FFCDRO Cc1cccc(NC(=O)NC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843350240 1031340372 /nfs/dbraw/zinc/34/03/72/1031340372.db2.gz QOIPOJYNDNQJHL-UHFFFAOYSA-N 1 0 366.465 2.863 20 10 FFCDRO C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350867 1031342686 /nfs/dbraw/zinc/34/26/86/1031342686.db2.gz XLCILWRITUWGGQ-CQSZACIVSA-N 1 0 373.447 2.924 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]([NH3+])[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843353082 1031344204 /nfs/dbraw/zinc/34/42/04/1031344204.db2.gz BLADHNHVDAXGKK-ACJLOTCBSA-N 1 0 369.465 2.675 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@](C)(C[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843381111 1031366029 /nfs/dbraw/zinc/36/60/29/1031366029.db2.gz AIYWFSALDZSWPB-NRFANRHFSA-N 1 0 369.465 2.676 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]1(O)CCc2ccccc21 ZINC000843422533 1031396403 /nfs/dbraw/zinc/39/64/03/1031396403.db2.gz XVGWZHOBNHVUNI-JOCHJYFZSA-N 1 0 352.478 2.789 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)c2C)cc1 ZINC000843477954 1031421406 /nfs/dbraw/zinc/42/14/06/1031421406.db2.gz CVEIINABLLKPLL-LJQANCHMSA-N 1 0 353.466 2.975 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])c3ccc(C)cc3)C2)cc1 ZINC000843506927 1031434097 /nfs/dbraw/zinc/43/40/97/1031434097.db2.gz NEGZYFNSWXVVJT-UZLBHIALSA-N 1 0 353.466 2.646 20 10 FFCDRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)Cc1ccccc1O ZINC001204827338 1031446717 /nfs/dbraw/zinc/44/67/17/1031446717.db2.gz SUIOIZFCKHBTDJ-UHFFFAOYSA-N 1 0 356.466 2.735 20 10 FFCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001205068346 1031502601 /nfs/dbraw/zinc/50/26/01/1031502601.db2.gz GYKYPHWWBUAUQI-ZFWWWQNUSA-N 1 0 368.319 2.597 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001149899877 1031617029 /nfs/dbraw/zinc/61/70/29/1031617029.db2.gz JPLMSHLBELTUJI-AWEZNQCLSA-N 1 0 373.266 2.937 20 10 FFCDRO C[C@]1([NH3+])CCCN(Cc2cccc(I)c2O)CC1 ZINC001205288935 1031650892 /nfs/dbraw/zinc/65/08/92/1031650892.db2.gz QFHSWQXGLYUHPM-AWEZNQCLSA-N 1 0 360.239 2.700 20 10 FFCDRO CCC/C=C/[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150355588 1031702987 /nfs/dbraw/zinc/70/29/87/1031702987.db2.gz YKOHJUHZSBOGNG-NQMAARMTSA-N 1 0 366.889 2.843 20 10 FFCDRO CCC/C=C/[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150355587 1031703024 /nfs/dbraw/zinc/70/30/24/1031703024.db2.gz YKOHJUHZSBOGNG-KOEAPFFJSA-N 1 0 366.889 2.843 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C4CC4)no3)cc2F)CC1 ZINC000799332875 1031737787 /nfs/dbraw/zinc/73/77/87/1031737787.db2.gz DYNISRGMDXATEU-UHFFFAOYSA-N 1 0 372.444 2.763 20 10 FFCDRO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001151082276 1031852525 /nfs/dbraw/zinc/85/25/25/1031852525.db2.gz IMKDLRSFGPYLFS-MAODMQOUSA-N 1 0 371.525 2.506 20 10 FFCDRO COc1cc(Br)cc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205763414 1031981517 /nfs/dbraw/zinc/98/15/17/1031981517.db2.gz PUIGRAJGSSBSEM-SNVBAGLBSA-N 1 0 365.218 2.579 20 10 FFCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2Cl)CCC1(F)F ZINC001205787055 1031993589 /nfs/dbraw/zinc/99/35/89/1031993589.db2.gz DTDQFFCVNQKGOC-CQSZACIVSA-N 1 0 359.848 2.593 20 10 FFCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cccc(I)c2O)C1 ZINC001205851940 1032033081 /nfs/dbraw/zinc/03/30/81/1032033081.db2.gz DDMZRNXKTSSUMG-JQWIXIFHSA-N 1 0 360.239 2.556 20 10 FFCDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001219002297 1033454253 /nfs/dbraw/zinc/45/42/53/1033454253.db2.gz NVEZQBDNPQZUMQ-ZBEGNZNMSA-N 1 0 365.433 2.746 20 10 FFCDRO C[NH+](C)CCOc1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 ZINC000830180094 1033494405 /nfs/dbraw/zinc/49/44/05/1033494405.db2.gz HETXFAXBPXEZHP-UHFFFAOYSA-N 1 0 360.429 2.721 20 10 FFCDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000830720429 1033763305 /nfs/dbraw/zinc/76/33/05/1033763305.db2.gz RZQISTLRTAABAR-QAPCUYQASA-N 1 0 359.445 2.904 20 10 FFCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)N[C@@H]3COC[C@@H]3[NH3+])c2)cc1 ZINC001219719928 1033787573 /nfs/dbraw/zinc/78/75/73/1033787573.db2.gz ANQLNBCGLWKZPC-ZWKOTPCHSA-N 1 0 353.426 2.624 20 10 FFCDRO Cc1c(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)c2ccccc2n1C ZINC001138254222 1034024108 /nfs/dbraw/zinc/02/41/08/1034024108.db2.gz UDXFNHAPSJWHHB-QGZVFWFLSA-N 1 0 351.498 2.877 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339670 1034170758 /nfs/dbraw/zinc/17/07/58/1034170758.db2.gz IBHMJJBWWGCDNQ-UHFFFAOYSA-N 1 0 357.498 2.534 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1-c1ccccn1 ZINC000831727294 1034244454 /nfs/dbraw/zinc/24/44/54/1034244454.db2.gz LMNMIAYCSJGFPT-MSOLQXFVSA-N 1 0 352.482 2.951 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000831753147 1034258714 /nfs/dbraw/zinc/25/87/14/1034258714.db2.gz JKJPWRCJUBESJK-KKSFZXQISA-N 1 0 365.477 2.525 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001277097475 1034516491 /nfs/dbraw/zinc/51/64/91/1034516491.db2.gz HSFCQFRIUCHAJC-DJJJIMSYSA-N 1 0 368.424 2.520 20 10 FFCDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676673 1034537009 /nfs/dbraw/zinc/53/70/09/1034537009.db2.gz RINLAZBPHJVOTR-OAHLLOKOSA-N 1 0 369.303 2.897 20 10 FFCDRO COc1ccc(C(C)(C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832265913 1034686144 /nfs/dbraw/zinc/68/61/44/1034686144.db2.gz BLNWDBODKGMDKB-IBGZPJMESA-N 1 0 355.482 2.855 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccc(OCCO)cc3)CC2)cc1 ZINC001138804038 1034686807 /nfs/dbraw/zinc/68/68/07/1034686807.db2.gz ZEHKWFLXIVRIPO-UHFFFAOYSA-N 1 0 356.466 2.779 20 10 FFCDRO CCCOc1cc(OC)ccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286189 1034701961 /nfs/dbraw/zinc/70/19/61/1034701961.db2.gz WYGQCTINGGCTQF-LJQANCHMSA-N 1 0 371.481 2.980 20 10 FFCDRO COc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(OC(C)C)c1 ZINC000832285571 1034703005 /nfs/dbraw/zinc/70/30/05/1034703005.db2.gz RYFPPUAFFZYBLS-IBGZPJMESA-N 1 0 371.481 2.978 20 10 FFCDRO CC(C)c1noc2ncc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc21 ZINC000832292255 1034703641 /nfs/dbraw/zinc/70/36/41/1034703641.db2.gz DNZSBGXMRMTJMC-KRWDZBQOSA-N 1 0 367.453 2.842 20 10 FFCDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832292794 1034708028 /nfs/dbraw/zinc/70/80/28/1034708028.db2.gz MWJIYLBHSLMNTJ-INIZCTEOSA-N 1 0 374.466 2.813 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C3(C)CC3)cc2F)CC1 ZINC001221805446 1035082650 /nfs/dbraw/zinc/08/26/50/1035082650.db2.gz WHHCLQBYAQPSQN-OAHLLOKOSA-N 1 0 362.493 2.955 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)cc1 ZINC001139423104 1035101557 /nfs/dbraw/zinc/10/15/57/1035101557.db2.gz SXTBOWLEEBGJDH-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccccc1C ZINC000833565458 1035211214 /nfs/dbraw/zinc/21/12/14/1035211214.db2.gz HMWIJFYDFWCKTG-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO CN(Cc1cccnc1)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001140054645 1035323437 /nfs/dbraw/zinc/32/34/37/1035323437.db2.gz VCDZJWFCNRTBCZ-SBHAEUEKSA-N 1 0 371.456 2.790 20 10 FFCDRO O=C1NC2(C[C@@H]1c1cccnc1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055338 1035324549 /nfs/dbraw/zinc/32/45/49/1035324549.db2.gz DNFOMYBFIQIPOQ-QGZVFWFLSA-N 1 0 355.413 2.565 20 10 FFCDRO O=C(Nc1cccnc1)c1noc2c1CN(Cc1cc(F)ccc1O)CC2 ZINC001140055706 1035325040 /nfs/dbraw/zinc/32/50/40/1035325040.db2.gz QDUQCQTXFSVUHC-UHFFFAOYSA-N 1 0 368.368 2.725 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)c1O ZINC001140180584 1035370235 /nfs/dbraw/zinc/37/02/35/1035370235.db2.gz ZFLPWYQKIALHAN-UHFFFAOYSA-N 1 0 359.514 2.528 20 10 FFCDRO CCOC(=O)Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000834482916 1035395679 /nfs/dbraw/zinc/39/56/79/1035395679.db2.gz VQRFCUOZDHMFHC-UHFFFAOYSA-N 1 0 374.510 2.613 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCCC[C@](O)(C(F)(F)F)C3)cc2)CC1 ZINC001140283398 1035418158 /nfs/dbraw/zinc/41/81/58/1035418158.db2.gz SCHWGPOVJWBLQO-GOSISDBHSA-N 1 0 372.431 2.927 20 10 FFCDRO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC001140286224 1035419653 /nfs/dbraw/zinc/41/96/53/1035419653.db2.gz AYNSEWHVRWSDMO-KRWDZBQOSA-N 1 0 370.497 2.973 20 10 FFCDRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2c(O)cccc2Cl)C1)N1CCCC1 ZINC001140339614 1035443511 /nfs/dbraw/zinc/44/35/11/1035443511.db2.gz XYKBVQSDFXSDHN-FDQGKXFDSA-N 1 0 364.873 2.647 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001140339844 1035443634 /nfs/dbraw/zinc/44/36/34/1035443634.db2.gz MLQAYOVFCKKJPP-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]21 ZINC001140467889 1035486455 /nfs/dbraw/zinc/48/64/55/1035486455.db2.gz ZCQBSUBUBJNCQD-INMHGKMJSA-N 1 0 366.889 2.655 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000835027957 1035490262 /nfs/dbraw/zinc/49/02/62/1035490262.db2.gz IRFFNPYMEYDQJH-SGSXCFNPSA-N 1 0 354.498 2.945 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000835034809 1035490938 /nfs/dbraw/zinc/49/09/38/1035490938.db2.gz YOVCYSBMMMPCMF-ALCCZGGFSA-N 1 0 370.497 2.610 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000835036895 1035491698 /nfs/dbraw/zinc/49/16/98/1035491698.db2.gz RMCJQMKBXBFZNS-ARJAWSKDSA-N 1 0 352.482 2.787 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000835038927 1035491766 /nfs/dbraw/zinc/49/17/66/1035491766.db2.gz DJVYGBVNBAFQGB-DUMMIQTOSA-N 1 0 364.493 2.733 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1F ZINC001227282738 1035495540 /nfs/dbraw/zinc/49/55/40/1035495540.db2.gz VVKSINDSWTUQHP-UZLBHIALSA-N 1 0 362.493 2.765 20 10 FFCDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)n1 ZINC001232199775 1035496004 /nfs/dbraw/zinc/49/60/04/1035496004.db2.gz JPUCADJCEWWGAM-OAHLLOKOSA-N 1 0 362.861 2.858 20 10 FFCDRO Clc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1N1CCOCC1 ZINC001232200967 1035497983 /nfs/dbraw/zinc/49/79/83/1035497983.db2.gz FVHZKQSZHCQKQB-INIZCTEOSA-N 1 0 361.877 2.605 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001277204306 1035524973 /nfs/dbraw/zinc/52/49/73/1035524973.db2.gz GGXAYIGPFONIIY-GOSISDBHSA-N 1 0 360.498 2.764 20 10 FFCDRO O=C(NCC(F)F)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001277664411 1035684884 /nfs/dbraw/zinc/68/48/84/1035684884.db2.gz BARPZYKXZSDJEX-NSHDSACASA-N 1 0 374.815 2.735 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](NC(=O)C3CCC3)[C@H]3OCCC[C@H]3C2)c1 ZINC001140619444 1035739929 /nfs/dbraw/zinc/73/99/29/1035739929.db2.gz CYVNRWKHRZFZSB-HQRMLTQVSA-N 1 0 358.482 2.596 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)c1 ZINC001140620423 1035746774 /nfs/dbraw/zinc/74/67/74/1035746774.db2.gz NRERAZXBUDZNFC-FQEVSTJZSA-N 1 0 352.438 2.510 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncc(Br)cn3)CC2)c1 ZINC001140623806 1035751526 /nfs/dbraw/zinc/75/15/26/1035751526.db2.gz SHIGVMKWNRSSTI-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c1O ZINC001140748050 1036045741 /nfs/dbraw/zinc/04/57/41/1036045741.db2.gz FEVSOXQMCQNOCO-LAUBAEHRSA-N 1 0 352.434 2.512 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1O ZINC001140748082 1036048441 /nfs/dbraw/zinc/04/84/41/1036048441.db2.gz GASYYXWWEXLIMI-KVSKMBFKSA-N 1 0 370.449 2.860 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749368 1036049472 /nfs/dbraw/zinc/04/94/72/1036049472.db2.gz XDNODQWCGQOCMU-UHFFFAOYSA-N 1 0 356.422 2.515 20 10 FFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)n1 ZINC001140749469 1036054294 /nfs/dbraw/zinc/05/42/94/1036054294.db2.gz BBSFRGLZUAGBNK-UHFFFAOYSA-N 1 0 360.410 2.951 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c(O)c1 ZINC001232838050 1036095938 /nfs/dbraw/zinc/09/59/38/1036095938.db2.gz OQXRWNMEEJFRHX-UHFFFAOYSA-N 1 0 358.486 2.622 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CN(CC1CCCC1)C(=O)CO2 ZINC001277315125 1036192205 /nfs/dbraw/zinc/19/22/05/1036192205.db2.gz HCNBUFJYDHTQTM-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233014287 1036248511 /nfs/dbraw/zinc/24/85/11/1036248511.db2.gz ZPRNLHAUKVOXJS-UHFFFAOYSA-N 1 0 372.396 2.572 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233014662 1036250499 /nfs/dbraw/zinc/25/04/99/1036250499.db2.gz WZWGXNUYPCSPLG-UHFFFAOYSA-N 1 0 364.442 2.636 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3ncc(C)cn3)C2)c(O)c1 ZINC001140855950 1036291724 /nfs/dbraw/zinc/29/17/24/1036291724.db2.gz DSZUUYUFLADJLG-SFHVURJKSA-N 1 0 356.470 2.990 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(N3CCOCC3)CC2)c1O ZINC001233106775 1036351931 /nfs/dbraw/zinc/35/19/31/1036351931.db2.gz NLJQJQQQVIJWQG-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233140935 1036387622 /nfs/dbraw/zinc/38/76/22/1036387622.db2.gz YTYRASMQHVXAJK-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO CCn1cc(Cl)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001536532981 1069999452 /nfs/dbraw/zinc/99/94/52/1069999452.db2.gz XPEYDICABAYQGG-UHFFFAOYSA-N 1 0 360.889 2.843 20 10 FFCDRO CCOC(=O)c1c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c2ccccc2n1C ZINC001233273151 1036479272 /nfs/dbraw/zinc/47/92/72/1036479272.db2.gz PVZZRJVYWVPXRK-UHFFFAOYSA-N 1 0 355.482 2.883 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)ncn1 ZINC001233286907 1036493073 /nfs/dbraw/zinc/49/30/73/1036493073.db2.gz OAETWKLITNRQRG-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)c1O ZINC001233288529 1036495273 /nfs/dbraw/zinc/49/52/73/1036495273.db2.gz NTIDZYPJRKIKPK-SFHVURJKSA-N 1 0 360.845 2.699 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)c(O)c1 ZINC001140950136 1036546237 /nfs/dbraw/zinc/54/62/37/1036546237.db2.gz OHULPHXBTHFQMZ-IBGZPJMESA-N 1 0 360.498 2.844 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)c(O)c1 ZINC001140952359 1036556034 /nfs/dbraw/zinc/55/60/34/1036556034.db2.gz OXSZYEQSVKCCFT-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cn3)CC2)c(O)c1 ZINC001140958355 1036567345 /nfs/dbraw/zinc/56/73/45/1036567345.db2.gz YXFYGDCHVQFCRM-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001233455771 1036634065 /nfs/dbraw/zinc/63/40/65/1036634065.db2.gz XZYLDAABQICQRV-ZDUSSCGKSA-N 1 0 357.307 2.993 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cc(O)c(O)cc2O)C2CC2)C1 ZINC001233487256 1036655780 /nfs/dbraw/zinc/65/57/80/1036655780.db2.gz WKRDZYJDKXPBRW-CQSZACIVSA-N 1 0 364.442 2.777 20 10 FFCDRO C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC000836622766 1036691262 /nfs/dbraw/zinc/69/12/62/1036691262.db2.gz FUULKEVSWPNFGD-KBPBESRZSA-N 1 0 370.444 2.506 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c(OC)c1 ZINC001141026479 1036756377 /nfs/dbraw/zinc/75/63/77/1036756377.db2.gz RXYDCWUJGMDILQ-CABCVRRESA-N 1 0 354.406 2.577 20 10 FFCDRO COC[C@H]1COCCC12CC[NH+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141027267 1036761044 /nfs/dbraw/zinc/76/10/44/1036761044.db2.gz SIADUSBTCGLBHF-HNNXBMFYSA-N 1 0 365.470 2.675 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c(OC)c1 ZINC001141029556 1036770741 /nfs/dbraw/zinc/77/07/41/1036770741.db2.gz VUSCWGZDAFPEPM-UHFFFAOYSA-N 1 0 357.454 2.825 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c(OC)c1 ZINC001141032388 1036777696 /nfs/dbraw/zinc/77/76/96/1036777696.db2.gz AEWPVQQIZGESAS-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074757 1036922950 /nfs/dbraw/zinc/92/29/50/1036922950.db2.gz AGSCCUMLAOWCSR-QFIPXVFZSA-N 1 0 353.510 2.972 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c(O)c1 ZINC001277833468 1036931626 /nfs/dbraw/zinc/93/16/26/1036931626.db2.gz JUGFVHBSOYTZLI-LJQANCHMSA-N 1 0 368.424 2.931 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c(O)c1 ZINC001277835051 1036943580 /nfs/dbraw/zinc/94/35/80/1036943580.db2.gz UTVFAXZDOXZOJW-UHFFFAOYSA-N 1 0 368.424 2.789 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(C4COC4)C3=O)CC2)c1O ZINC001277440018 1037037837 /nfs/dbraw/zinc/03/78/37/1037037837.db2.gz VGCNSDOIBHQRLP-UHFFFAOYSA-N 1 0 364.873 2.567 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCCN(Cc4ncccn4)C3)C2)cc1 ZINC001207011224 1037052466 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20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c(O)cc1O ZINC001231636177 1037759511 /nfs/dbraw/zinc/75/95/11/1037759511.db2.gz KMXXSSBMYRWROR-LJQANCHMSA-N 1 0 374.462 2.797 20 10 FFCDRO COc1cc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c(O)cc1O ZINC001231639298 1037763435 /nfs/dbraw/zinc/76/34/35/1037763435.db2.gz OLSIZIKHAGWPLA-UHFFFAOYSA-N 1 0 362.470 2.721 20 10 FFCDRO COc1cc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)c(O)cc1O ZINC001231640007 1037766574 /nfs/dbraw/zinc/76/65/74/1037766574.db2.gz OHZDZEOSWJNSGJ-UHFFFAOYSA-N 1 0 368.433 2.727 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235855106 1037793213 /nfs/dbraw/zinc/79/32/13/1037793213.db2.gz SCHNOBXVWWJHGL-OAQYLSRUSA-N 1 0 355.457 2.809 20 10 FFCDRO Fc1ccc([C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)cc3)CCO2)cc1F ZINC001236071775 1037914740 /nfs/dbraw/zinc/91/47/40/1037914740.db2.gz ZIQDVSVIYLZSGH-OAQYLSRUSA-N 1 0 373.447 2.948 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2CCCC23CCN(CC(=O)N(C)C)CC3)c(O)c1 ZINC001231843879 1037940891 /nfs/dbraw/zinc/94/08/91/1037940891.db2.gz CINZTFRKJGXSGK-UHFFFAOYSA-N 1 0 359.514 2.528 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c(O)c1 ZINC001231844430 1037943964 /nfs/dbraw/zinc/94/39/64/1037943964.db2.gz LAUKQHLWRVGIEI-HDICACEKSA-N 1 0 351.450 2.608 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)c(O)c1 ZINC001231844312 1037944248 /nfs/dbraw/zinc/94/42/48/1037944248.db2.gz LCWZBGXAGSAWOM-UHFFFAOYSA-N 1 0 351.454 2.509 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001231852332 1037949337 /nfs/dbraw/zinc/94/93/37/1037949337.db2.gz JEMUSDGDAUBFGE-IRXDYDNUSA-N 1 0 372.538 2.782 20 10 FFCDRO COc1ccnc(OC2CC[NH+](Cc3ccc(N(C)C)cc3OC)CC2)n1 ZINC001231854461 1037952243 /nfs/dbraw/zinc/95/22/43/1037952243.db2.gz DTYNSQVDCZCQIN-UHFFFAOYSA-N 1 0 372.469 2.603 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)cc1Cl ZINC001231870839 1037967348 /nfs/dbraw/zinc/96/73/48/1037967348.db2.gz BCKREAHHPOGGLM-MRXNPFEDSA-N 1 0 366.889 2.861 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1038282339 /nfs/dbraw/zinc/28/23/39/1038282339.db2.gz CQKRSUBJEZTGCA-RXVVDRJESA-N 1 0 370.449 2.917 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236810861 1038285217 /nfs/dbraw/zinc/28/52/17/1038285217.db2.gz KISNDNUOPSGETH-UHFFFAOYSA-N 1 0 370.449 2.818 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c(O)c1 ZINC001236812127 1038285610 /nfs/dbraw/zinc/28/56/10/1038285610.db2.gz WHWJILCEHSXBRM-SJORKVTESA-N 1 0 373.478 2.655 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001236811714 1038286105 /nfs/dbraw/zinc/28/61/05/1038286105.db2.gz SHTXQFWKCOSBCX-OAQYLSRUSA-N 1 0 352.434 2.829 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC4(C3)CC(F)(F)CS4)c(F)c2)CC1 ZINC001236943823 1038372191 /nfs/dbraw/zinc/37/21/91/1038372191.db2.gz WMAFJJSMNFVEHZ-UHFFFAOYSA-N 1 0 371.472 2.904 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CC[C@@]34N=C(C)N(CC)C4=O)C2)c(O)c1 ZINC001237040905 1038418410 /nfs/dbraw/zinc/41/84/10/1038418410.db2.gz MEZJSHNNGXLZEE-FYINFDKHSA-N 1 0 371.481 2.652 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)c(O)c1 ZINC001237043970 1038420463 /nfs/dbraw/zinc/42/04/63/1038420463.db2.gz UGPJQWAXLZKILY-NXHRZFHOSA-N 1 0 359.426 2.977 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c(O)c1 ZINC001237054698 1038425849 /nfs/dbraw/zinc/42/58/49/1038425849.db2.gz DPONMTPBHLARMC-UHFFFAOYSA-N 1 0 361.486 2.522 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237058759 1038427013 /nfs/dbraw/zinc/42/70/13/1038427013.db2.gz KARATHWELOYWGH-UHFFFAOYSA-N 1 0 370.375 2.841 20 10 FFCDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1cc(C)n(-c3ccccc3)c1C)CC2 ZINC001237060218 1038428599 /nfs/dbraw/zinc/42/85/99/1038428599.db2.gz ILJYAYRUSTYCLT-RBBKRZOGSA-N 1 0 367.493 2.821 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)c(Br)c1 ZINC001237069752 1038432558 /nfs/dbraw/zinc/43/25/58/1038432558.db2.gz HYXBODRRIHWYFZ-SNVBAGLBSA-N 1 0 368.231 2.844 20 10 FFCDRO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C)O1 ZINC001256236032 1038443894 /nfs/dbraw/zinc/44/38/94/1038443894.db2.gz BWBLKLQOJIKYOK-IPELMVKDSA-N 1 0 362.518 2.564 20 10 FFCDRO C[NH+]1CCN(CCCc2nnc(-c3ccc(-n4cccc4)cc3)o2)CC1 ZINC001256966209 1038664346 /nfs/dbraw/zinc/66/43/46/1038664346.db2.gz WADBHXLQAXFWKC-UHFFFAOYSA-N 1 0 351.454 2.707 20 10 FFCDRO COCCOCN1CCC[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1 ZINC001278617195 1038841677 /nfs/dbraw/zinc/84/16/77/1038841677.db2.gz VQUPHTGXJVYTMY-NRFANRHFSA-N 1 0 362.514 2.999 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC001210215154 1039432735 /nfs/dbraw/zinc/43/27/35/1039432735.db2.gz GXPHTUSVHVAFRC-NRFANRHFSA-N 1 0 355.457 2.809 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@H](C)Cc3cccnc3)CC2)cc1 ZINC001258633016 1039464931 /nfs/dbraw/zinc/46/49/31/1039464931.db2.gz FILSRTZOQKTXRW-GOSISDBHSA-N 1 0 355.482 2.860 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)c(C)c1 ZINC001252287726 1039478668 /nfs/dbraw/zinc/47/86/68/1039478668.db2.gz MBGZNYLHTXJPKP-FQEVSTJZSA-N 1 0 370.493 2.703 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC001253054020 1039949359 /nfs/dbraw/zinc/94/93/59/1039949359.db2.gz DKSJBMMRVYBIGA-OAQYLSRUSA-N 1 0 372.509 2.813 20 10 FFCDRO O=S(=O)(CC1CCCCC1)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001259622495 1040120690 /nfs/dbraw/zinc/12/06/90/1040120690.db2.gz GGVKKGJIAAPHHB-UHFFFAOYSA-N 1 0 366.527 2.856 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253899146 1040440034 /nfs/dbraw/zinc/44/00/34/1040440034.db2.gz BICUDZYSKCKQMZ-ZUSMLRIVSA-N 1 0 374.391 2.563 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4[C@@H]3CCN4Cc3ccc[nH]3)ccc21 ZINC001278746234 1040442501 /nfs/dbraw/zinc/44/25/01/1040442501.db2.gz MQXLLRFKQDNGIX-OALUTQOASA-N 1 0 352.482 2.692 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249177648 1040617442 /nfs/dbraw/zinc/61/74/42/1040617442.db2.gz HLYNVOARTBMXSC-FQEVSTJZSA-N 1 0 363.454 2.663 20 10 FFCDRO COC(=O)Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c1 ZINC001249223228 1040638082 /nfs/dbraw/zinc/63/80/82/1040638082.db2.gz BVEWARAZEWDEDQ-ZWKOTPCHSA-N 1 0 364.461 2.506 20 10 FFCDRO CC1=NC2(CC[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)CC2)C(=O)N1C ZINC001249258130 1040654805 /nfs/dbraw/zinc/65/48/05/1040654805.db2.gz DFIIUUNSSQGVEH-UHFFFAOYSA-N 1 0 369.465 2.801 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2CCCC2)c(O)cc1O ZINC001276704478 1040821958 /nfs/dbraw/zinc/82/19/58/1040821958.db2.gz GIJDJWJFMHAIRE-HZPDHXFCSA-N 1 0 360.454 2.614 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cccc(O)c1O)CS2 ZINC001254689907 1040883297 /nfs/dbraw/zinc/88/32/97/1040883297.db2.gz DXKUADIPQFOJLM-CYBMUJFWSA-N 1 0 366.483 2.682 20 10 FFCDRO O=C(NCC(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001278552428 1041118819 /nfs/dbraw/zinc/11/88/19/1041118819.db2.gz ULWPBKYUBVMFFR-AGUYFDCRSA-N 1 0 357.376 2.749 20 10 FFCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(C)c(Br)cc3O)CC[N@@H+]2C1 ZINC001250127048 1041122775 /nfs/dbraw/zinc/12/27/75/1041122775.db2.gz LFYMDYAMYJEJDU-LSDHHAIUSA-N 1 0 369.303 2.758 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)cc1Br ZINC001250135972 1041125717 /nfs/dbraw/zinc/12/57/17/1041125717.db2.gz MECCCUFOXQOFGD-CYBMUJFWSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cn[nH]c4)C3)C2)c1O ZINC001278562968 1041181050 /nfs/dbraw/zinc/18/10/50/1041181050.db2.gz PDYUUMAISZGWDP-HXUWFJFHSA-N 1 0 356.470 2.612 20 10 FFCDRO COc1ccc(C[NH+]2CC3(CN(C(=O)[C@H]4C=CCC=C4C)C3)C2)c(O)c1 ZINC001278576088 1041237126 /nfs/dbraw/zinc/23/71/26/1041237126.db2.gz FWLCLELLGCAXMO-SFHVURJKSA-N 1 0 354.450 2.567 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC2CC[NH2+]CC2)cc1 ZINC001261453329 1041246507 /nfs/dbraw/zinc/24/65/07/1041246507.db2.gz CACNIVXSCXNJBE-HXUWFJFHSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1cc(-c2nc3cc(NC(C)=O)ccc3[nH]2)cc(C[NH+](C)C)c1O ZINC001250767126 1041353605 /nfs/dbraw/zinc/35/36/05/1041353605.db2.gz UHKUJNOLVKVGJM-UHFFFAOYSA-N 1 0 354.410 2.964 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)c1O ZINC001262110065 1041563522 /nfs/dbraw/zinc/56/35/22/1041563522.db2.gz PMRVPWQUUKLGIJ-UHFFFAOYSA-N 1 0 369.509 2.746 20 10 FFCDRO C[C@H](O)[C@H](C)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001262563112 1041723075 /nfs/dbraw/zinc/72/30/75/1041723075.db2.gz VLEWFHXHUUEBNA-ZQIUZPCESA-N 1 0 351.491 2.677 20 10 FFCDRO C[NH+]1CCN(c2cccc(-c3noc(-c4ccc(O)c(O)c4)n3)c2)CC1 ZINC001215304577 1041731104 /nfs/dbraw/zinc/73/11/04/1041731104.db2.gz SJTTVRUMAQIKIT-UHFFFAOYSA-N 1 0 352.394 2.567 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001279140783 1042916410 /nfs/dbraw/zinc/91/64/10/1042916410.db2.gz KEFDQQMOGHNJGJ-BZSNNMDCSA-N 1 0 354.450 2.653 20 10 FFCDRO Oc1ccc(CN2CCC[C@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cc1O ZINC001279142173 1042916432 /nfs/dbraw/zinc/91/64/32/1042916432.db2.gz PIRNMPNELGSKMS-FQEVSTJZSA-N 1 0 356.470 2.699 20 10 FFCDRO CCn1ccnc1CN1CCC2(C[NH+](Cc3ccc(N(C)C)cc3)C2)C1 ZINC001279149919 1042920555 /nfs/dbraw/zinc/92/05/55/1042920555.db2.gz OBTCOPSBNHZVHB-UHFFFAOYSA-N 1 0 353.514 2.677 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(Cc2cccc(=O)[nH]2)C3)cc1 ZINC001279150073 1042920587 /nfs/dbraw/zinc/92/05/87/1042920587.db2.gz PWIHRRNPDRSMFS-UHFFFAOYSA-N 1 0 352.482 2.561 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1O ZINC001279290509 1042985825 /nfs/dbraw/zinc/98/58/25/1042985825.db2.gz QDYDQCROHGOERJ-HOTGVXAUSA-N 1 0 358.404 2.928 20 10 FFCDRO COCCOCN1CCC[C@@]2(CCC[N@H+](Cc3cccc(C)c3O)C2)C1 ZINC001279291294 1042986315 /nfs/dbraw/zinc/98/63/15/1042986315.db2.gz ZCXLGTQXDRGYTH-OAQYLSRUSA-N 1 0 362.514 2.999 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)c(Cl)c1 ZINC001279333903 1043008087 /nfs/dbraw/zinc/00/80/87/1043008087.db2.gz RVPNASDZVQOKIA-PMACEKPBSA-N 1 0 373.932 2.951 20 10 FFCDRO COCCOCN1CCC[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1 ZINC001279338429 1043010597 /nfs/dbraw/zinc/01/05/97/1043010597.db2.gz LBMMJEDOFHCGOF-NRFANRHFSA-N 1 0 362.514 2.999 20 10 FFCDRO FC(F)(F)Oc1ccc(N2CC[NH+](CC3(F)CC[NH2+]CC3)CC2)cc1 ZINC001237206090 1043051427 /nfs/dbraw/zinc/05/14/27/1043051427.db2.gz QEABQPJITVGXEZ-UHFFFAOYSA-N 1 0 361.383 2.799 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001237214405 1043056481 /nfs/dbraw/zinc/05/64/81/1043056481.db2.gz GRLHSAPUWKYYIH-LJQANCHMSA-N 1 0 350.503 2.992 20 10 FFCDRO COC1(CC(=O)N2CCC23C[NH+](Cc2c(C)cc(C)cc2O)C3)CCC1 ZINC001279427695 1043102249 /nfs/dbraw/zinc/10/22/49/1043102249.db2.gz IMXHJXYEWAOCCQ-UHFFFAOYSA-N 1 0 358.482 2.755 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001237485334 1043198643 /nfs/dbraw/zinc/19/86/43/1043198643.db2.gz GYGGXEZLHCYXCL-HQRMLTQVSA-N 1 0 358.482 2.596 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001237487811 1043200044 /nfs/dbraw/zinc/20/00/44/1043200044.db2.gz DPOYPYBIVTYDCJ-NRFANRHFSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001237487497 1043201120 /nfs/dbraw/zinc/20/11/20/1043201120.db2.gz JKVFYCKFSUTBGA-CYBMUJFWSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001237488831 1043202686 /nfs/dbraw/zinc/20/26/86/1043202686.db2.gz RTQOZMLHHXXNTJ-INIZCTEOSA-N 1 0 358.482 2.740 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 ZINC001237488742 1043202986 /nfs/dbraw/zinc/20/29/86/1043202986.db2.gz OIJUXLHEOASZAX-MISYRCLQSA-N 1 0 370.449 2.732 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N1CCCC1)CCO2 ZINC001237488515 1043203851 /nfs/dbraw/zinc/20/38/51/1043203851.db2.gz MRZHTAUYADXRDW-DYESRHJHSA-N 1 0 373.497 2.630 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)cc1O ZINC001279514772 1043210985 /nfs/dbraw/zinc/21/09/85/1043210985.db2.gz UFOPKINIJOPUFR-FQEVSTJZSA-N 1 0 357.454 2.620 20 10 FFCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279530342 1043229349 /nfs/dbraw/zinc/22/93/49/1043229349.db2.gz ZGIWWVPLYJGBBC-CALCHBBNSA-N 1 0 358.461 2.572 20 10 FFCDRO COc1cc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c(OC)c1 ZINC001237675178 1043303896 /nfs/dbraw/zinc/30/38/96/1043303896.db2.gz BCQBRTAHNAURIC-RTBURBONSA-N 1 0 368.477 2.973 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)c1O ZINC001237686325 1043313595 /nfs/dbraw/zinc/31/35/95/1043313595.db2.gz QEQQNUMWXZNYLM-ZACQAIPSSA-N 1 0 364.873 2.612 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001279666064 1043429282 /nfs/dbraw/zinc/42/92/82/1043429282.db2.gz ACJQCSLOTBKHOI-UHFFFAOYSA-N 1 0 356.466 2.674 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)cc1OC ZINC001279673755 1043443285 /nfs/dbraw/zinc/44/32/85/1043443285.db2.gz JTARXHRGHVHZME-IRXDYDNUSA-N 1 0 357.454 2.586 20 10 FFCDRO Oc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)cc(O)c1O ZINC001279682745 1043459576 /nfs/dbraw/zinc/45/95/76/1043459576.db2.gz VRXXOTDFROPNPY-VQTJNVASSA-N 1 0 357.454 2.856 20 10 FFCDRO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001279685879 1043467882 /nfs/dbraw/zinc/46/78/82/1043467882.db2.gz ILPCCRKLYKIDKN-HOTGVXAUSA-N 1 0 366.387 2.983 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1O ZINC001238060282 1043506571 /nfs/dbraw/zinc/50/65/71/1043506571.db2.gz GMKCCCUTOVZYRL-UZLBHIALSA-N 1 0 358.413 2.762 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1O ZINC001238060594 1043508596 /nfs/dbraw/zinc/50/85/96/1043508596.db2.gz JXIGHMNZPAFHTR-WIYYLYMNSA-N 1 0 372.440 2.900 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)NC(C)(C)C)O[C@H]3C2)cc1 ZINC001279742771 1043571278 /nfs/dbraw/zinc/57/12/78/1043571278.db2.gz CKTKXRJQJRZAEV-QRQLOZEOSA-N 1 0 359.514 2.647 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C3CC(F)(F)C3)C2)cc1 ZINC001279744619 1043575844 /nfs/dbraw/zinc/57/58/44/1043575844.db2.gz UEARRTBDSKQMBM-DNVCBOLYSA-N 1 0 363.452 2.831 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC3CC([NH3+])C3)cc2)cc1 ZINC001238163171 1043580253 /nfs/dbraw/zinc/58/02/53/1043580253.db2.gz GFSLXFHJEWTNNI-QZQOTICOSA-N 1 0 373.482 2.936 20 10 FFCDRO O=S(=O)(N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238347868 1043660921 /nfs/dbraw/zinc/66/09/21/1043660921.db2.gz OJYIDCPBVWSFGL-CGSBWCHPSA-N 1 0 372.450 2.510 20 10 FFCDRO Cc1cc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)cc1Br ZINC001279823649 1043712430 /nfs/dbraw/zinc/71/24/30/1043712430.db2.gz JZDQUQRNGUSJAE-QGZVFWFLSA-N 1 0 369.303 2.760 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(N)=O)c2ccccc21 ZINC001279837247 1043749899 /nfs/dbraw/zinc/74/98/99/1043749899.db2.gz WZZZUQKPDXQBAB-KRWDZBQOSA-N 1 0 355.507 2.699 20 10 FFCDRO O=C(NCc1c(F)cccc1F)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001279968537 1044002976 /nfs/dbraw/zinc/00/29/76/1044002976.db2.gz LUNRDVXMHJAYPA-VLIAUNLRSA-N 1 0 358.388 2.951 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)c1O ZINC001279977458 1044022802 /nfs/dbraw/zinc/02/28/02/1044022802.db2.gz MSVJMTLYYOWYAO-ALIKPJSESA-N 1 0 362.445 2.620 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N2CC=CC2)c1O ZINC001279981128 1044027782 /nfs/dbraw/zinc/02/77/82/1044027782.db2.gz URSSWGKMSNZDGL-LVFSCSRESA-N 1 0 356.466 2.694 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3CCC(F)CC3)C2)c1 ZINC001279985460 1044038380 /nfs/dbraw/zinc/03/83/80/1044038380.db2.gz BDNAFMGSXGEBHQ-ALIKPJSESA-N 1 0 362.445 2.620 20 10 FFCDRO COCCOCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C)c1O ZINC001280028293 1044104769 /nfs/dbraw/zinc/10/47/69/1044104769.db2.gz RLUIQFPHILMJLE-AYHJJNSGSA-N 1 0 352.450 2.545 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)N4CCCCO4)(C2)C3)c(Cl)c1 ZINC001280044664 1044129781 /nfs/dbraw/zinc/12/97/81/1044129781.db2.gz PLHMEHUZCBLTDI-UHFFFAOYSA-N 1 0 363.889 2.972 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC001312818999 1044176546 /nfs/dbraw/zinc/17/65/46/1044176546.db2.gz SCBYNIOALQANFQ-HZPDHXFCSA-N 1 0 354.445 2.842 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N[C@@H](C)c4ncc[nH]4)(C2)C3)c1O ZINC001280345949 1044635534 /nfs/dbraw/zinc/63/55/34/1044635534.db2.gz LPSKBLMZIPFLGJ-JAGHRAMZSA-N 1 0 354.454 2.622 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N[C@@H](C)c2ncc[nH]2)c1O ZINC001280347026 1044635863 /nfs/dbraw/zinc/63/58/63/1044635863.db2.gz ZXDLBAKPZKAVOT-MDOVXXIYSA-N 1 0 354.454 2.574 20 10 FFCDRO CS(=O)(=O)Cn1cc(-c2nccc3c2ccn3Cc2ccccc2)cn1 ZINC001242750893 1044786775 /nfs/dbraw/zinc/78/67/75/1044786775.db2.gz CHGWFXFFBMSNMD-UHFFFAOYSA-N 1 0 366.446 2.950 20 10 FFCDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001318352426 1045277973 /nfs/dbraw/zinc/27/79/73/1045277973.db2.gz FRQRPPSUMGWHAO-INIZCTEOSA-N 1 0 359.493 2.508 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCO[C@@H]3C3CC3)cc2F)CC1 ZINC001320413566 1045403969 /nfs/dbraw/zinc/40/39/69/1045403969.db2.gz CMGUSLZYRVMVEI-NHCUHLMSSA-N 1 0 361.505 2.872 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC001320720894 1045454888 /nfs/dbraw/zinc/45/48/88/1045454888.db2.gz LZZZAXIZVXNSRL-UHFFFAOYSA-N 1 0 358.438 2.748 20 10 FFCDRO CN(C)c1ncccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001323665395 1045676783 /nfs/dbraw/zinc/67/67/83/1045676783.db2.gz SZYJSCKJUNAZDY-UHFFFAOYSA-N 1 0 358.461 2.538 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2Cc3ccc(F)cc32)[NH+](C)C)cc1 ZINC001539707227 1070685187 /nfs/dbraw/zinc/68/51/87/1070685187.db2.gz PZVWCIDMBAHNKK-VQTJNVASSA-N 1 0 355.457 2.951 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001323831851 1045743489 /nfs/dbraw/zinc/74/34/89/1045743489.db2.gz ZSZXSYHPXNSSFC-RDJZCZTQSA-N 1 0 359.514 2.829 20 10 FFCDRO O=C(c1cccs1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001324717277 1046183772 /nfs/dbraw/zinc/18/37/72/1046183772.db2.gz ZAJKYHNZMJIUKC-INIZCTEOSA-N 1 0 359.447 2.974 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324732079 1046192270 /nfs/dbraw/zinc/19/22/70/1046192270.db2.gz AUTQGZOAYZHIJK-HKUYNNGSSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)CO2 ZINC001325317102 1046465173 /nfs/dbraw/zinc/46/51/73/1046465173.db2.gz YQMJGFOYEXKEBK-QGZVFWFLSA-N 1 0 372.440 2.764 20 10 FFCDRO C[NH2+]C[C@@H](C)CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001325681632 1046609162 /nfs/dbraw/zinc/60/91/62/1046609162.db2.gz UBYPEULUXHATQM-MRXNPFEDSA-N 1 0 358.486 2.913 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C2Cc3ccccc3C2)[NH+](C)C)cc1 ZINC001289599823 1047707566 /nfs/dbraw/zinc/70/75/66/1047707566.db2.gz JJYHHEBMFGGEAE-OAQYLSRUSA-N 1 0 351.494 2.887 20 10 FFCDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC000734159602 1047749571 /nfs/dbraw/zinc/74/95/71/1047749571.db2.gz SAJIVABOORROTM-INIZCTEOSA-N 1 0 360.458 2.684 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001331387513 1047908200 /nfs/dbraw/zinc/90/82/00/1047908200.db2.gz MMTHYAHWIBOJMB-PXNSSMCTSA-N 1 0 358.530 2.872 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001332431905 1048392379 /nfs/dbraw/zinc/39/23/79/1048392379.db2.gz OFZJORCLCAGYPS-AABGKKOBSA-N 1 0 359.514 2.648 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1F ZINC001328764728 1048456908 /nfs/dbraw/zinc/45/69/08/1048456908.db2.gz PPSMLEYUDIOINO-HNNXBMFYSA-N 1 0 351.441 2.912 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3ccsc3)cc2F)CC1 ZINC001329251385 1048635743 /nfs/dbraw/zinc/63/57/43/1048635743.db2.gz DSTLRACXBXGVFJ-IBGZPJMESA-N 1 0 363.502 2.636 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(N)ccc43)cc2F)CC1 ZINC001329353550 1048681599 /nfs/dbraw/zinc/68/15/99/1048681599.db2.gz GFMNWAMYTWKSLM-FQEVSTJZSA-N 1 0 354.473 2.937 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3COc4ccc(OC)cc4C3)C2)cc1 ZINC001329574381 1048783609 /nfs/dbraw/zinc/78/36/09/1048783609.db2.gz SJNIJGHJCIOYQO-IAGOWNOFSA-N 1 0 354.450 2.876 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC001295273043 1049913019 /nfs/dbraw/zinc/91/30/19/1049913019.db2.gz TWXFNPQZJQRIDY-GOSISDBHSA-N 1 0 359.514 2.998 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001296778790 1050093749 /nfs/dbraw/zinc/09/37/49/1050093749.db2.gz KOBKOFHGYDGFRW-SFHVURJKSA-N 1 0 354.450 2.667 20 10 FFCDRO CN1CCN(c2ccc(CN3CCC[C@H]([NH+]4CCCC4)C3)cc2F)CC1 ZINC001341540421 1050169311 /nfs/dbraw/zinc/16/93/11/1050169311.db2.gz SYXRKOMDEGNAER-IBGZPJMESA-N 1 0 360.521 2.638 20 10 FFCDRO CCc1nc(CN2CCN(Cc3ccc(N4CCCC4)cc3)CC2)no1 ZINC001341568205 1050194587 /nfs/dbraw/zinc/19/45/87/1050194587.db2.gz RFVMQNAOQPVFJP-UHFFFAOYSA-N 1 0 355.486 2.550 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@]34CC[NH2+][C@H]3CCCC4)CC2)cc1 ZINC001341569109 1050195366 /nfs/dbraw/zinc/19/53/66/1050195366.db2.gz HSNKWHJTELKMHQ-PZJWPPBQSA-N 1 0 357.498 2.656 20 10 FFCDRO C[NH2+]CCCCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001340235684 1050642090 /nfs/dbraw/zinc/64/20/90/1050642090.db2.gz WRINQSBCARFHBS-CQSZACIVSA-N 1 0 355.429 2.763 20 10 FFCDRO COc1cccc2c1CC[C@]2([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001340946597 1051278529 /nfs/dbraw/zinc/27/85/29/1051278529.db2.gz XHRNGZDIYGWLSU-OAQYLSRUSA-N 1 0 353.466 2.520 20 10 FFCDRO C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccccc1O)[NH+](C)C ZINC001303706170 1051430413 /nfs/dbraw/zinc/43/04/13/1051430413.db2.gz UXMSBZXSCYKDBW-AWEZNQCLSA-N 1 0 354.458 2.565 20 10 FFCDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001343138700 1051759673 /nfs/dbraw/zinc/75/96/73/1051759673.db2.gz HMYOOQLJIHMHNS-OAHLLOKOSA-N 1 0 356.557 2.543 20 10 FFCDRO Cc1cccn2c(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cnc12 ZINC001308206975 1052432174 /nfs/dbraw/zinc/43/21/74/1052432174.db2.gz DNXWNUPHUFMIKG-UHFFFAOYSA-N 1 0 354.429 2.908 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(CF)CCC3)cc2F)CC1 ZINC001346093982 1052745085 /nfs/dbraw/zinc/74/50/85/1052745085.db2.gz MTYMOPNGVHAIRC-UHFFFAOYSA-N 1 0 351.441 2.724 20 10 FFCDRO C[C@@H](NC(=O)[C@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)c1ccc(N2CCOCC2)cc1 ZINC001346237599 1052800274 /nfs/dbraw/zinc/80/02/74/1052800274.db2.gz FPHCCJQBZASNHU-REHHDOPLSA-N 1 0 371.525 2.821 20 10 FFCDRO CC[C@@H](O)C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001335351497 1053310754 /nfs/dbraw/zinc/31/07/54/1053310754.db2.gz OHHICHWUZHXUCU-IAGOWNOFSA-N 1 0 351.491 2.679 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC001543099404 1071380422 /nfs/dbraw/zinc/38/04/22/1071380422.db2.gz ZTAFVNXZWJQXIW-SFHVURJKSA-N 1 0 361.555 2.976 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc2F)C[C@@H](C)O1 ZINC001335923772 1053647578 /nfs/dbraw/zinc/64/75/78/1053647578.db2.gz HBLDYVTWMXRVGM-HUUCEWRRSA-N 1 0 365.493 2.834 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001336926407 1054343373 /nfs/dbraw/zinc/34/33/73/1054343373.db2.gz MQXVGDSONVNJMU-YPMHNXCESA-N 1 0 370.291 2.542 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cc2F)CC1 ZINC001337033494 1054425553 /nfs/dbraw/zinc/42/55/53/1054425553.db2.gz VRIVKDCLWORUMZ-LJQANCHMSA-N 1 0 360.521 2.638 20 10 FFCDRO O[C@@H]1C[C@H]2CN(Cc3ccc4c(c3)CCN4Cc3ccccc3)CC[N@@H+]2C1 ZINC000848926711 1055379128 /nfs/dbraw/zinc/37/91/28/1055379128.db2.gz WYBIBROLEXILSS-FCHUYYIVSA-N 1 0 363.505 2.500 20 10 FFCDRO CC(C)(C)[NH2+]CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001338413617 1055489291 /nfs/dbraw/zinc/48/92/91/1055489291.db2.gz UHVOPNJOLQHLED-UHFFFAOYSA-N 1 0 355.429 2.761 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)C1 ZINC000849017236 1055527275 /nfs/dbraw/zinc/52/72/75/1055527275.db2.gz OCPACXNRXAEGDN-MRXNPFEDSA-N 1 0 351.454 2.525 20 10 FFCDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001353195018 1056174643 /nfs/dbraw/zinc/17/46/43/1056174643.db2.gz CVDGCWJZZQVPII-QRWLVFNGSA-N 1 0 354.450 2.697 20 10 FFCDRO [NH3+]CCc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC001353495856 1056457647 /nfs/dbraw/zinc/45/76/47/1056457647.db2.gz ORHWHQARLDGTMV-UHFFFAOYSA-N 1 0 355.507 2.671 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4[nH]c(=O)[nH]c43)c2)CC1 ZINC000847749791 1056535559 /nfs/dbraw/zinc/53/55/59/1056535559.db2.gz BMHAQHULMOUCKR-UHFFFAOYSA-N 1 0 365.437 2.663 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2ccccc2O)[C@@H](c2cnn(C)c2)C1 ZINC000849565241 1056913796 /nfs/dbraw/zinc/91/37/96/1056913796.db2.gz XWNRYCYRBXBUKZ-RBUKOAKNSA-N 1 0 370.497 2.598 20 10 FFCDRO C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001544871909 1071705263 /nfs/dbraw/zinc/70/52/63/1071705263.db2.gz CSHDNHQQDDSJMG-INIZCTEOSA-N 1 0 354.450 2.763 20 10 FFCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCC2)cc1C ZINC001502001556 1058751553 /nfs/dbraw/zinc/75/15/53/1058751553.db2.gz LFUBIHVSHRAYDR-LMMKCTJWSA-N 1 0 358.482 2.700 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)cc1 ZINC001300633446 1059097780 /nfs/dbraw/zinc/09/77/80/1059097780.db2.gz JNPBJBCZSUSCDW-KRWDZBQOSA-N 1 0 357.498 2.655 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2=O)n(C)n1 ZINC001200830311 1059724364 /nfs/dbraw/zinc/72/43/64/1059724364.db2.gz KGSSJEZAMIXGCS-IBGZPJMESA-N 1 0 367.497 2.614 20 10 FFCDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1c(O)cccc1F ZINC001456030197 1059991448 /nfs/dbraw/zinc/99/14/48/1059991448.db2.gz REOCYQQJHXYNSF-UHFFFAOYSA-N 1 0 371.456 2.750 20 10 FFCDRO CCc1cc(C[NH+]2CCN(c3nncn3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000848497691 1060170470 /nfs/dbraw/zinc/17/04/70/1060170470.db2.gz PGJOHXWPBFJKJR-UHFFFAOYSA-N 1 0 357.502 2.703 20 10 FFCDRO CC[NH+](CC)CCOCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001461425602 1061316605 /nfs/dbraw/zinc/31/66/05/1061316605.db2.gz VKCNMUFYUJOWEE-UHFFFAOYSA-N 1 0 363.271 2.742 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCCC23OCCO3)cc1Cn1cccn1 ZINC001462667528 1061715533 /nfs/dbraw/zinc/71/55/33/1061715533.db2.gz SJQFAIIGNAZNFT-IBGZPJMESA-N 1 0 357.454 2.715 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC3CCC(F)CC3)cc2)CC1 ZINC001478913626 1062149973 /nfs/dbraw/zinc/14/99/73/1062149973.db2.gz ALRREMDEZVZIHN-UHFFFAOYSA-N 1 0 362.493 2.766 20 10 FFCDRO Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492896849 1062258890 /nfs/dbraw/zinc/25/88/90/1062258890.db2.gz QRJCNWOYKKNQDT-UHFFFAOYSA-N 1 0 374.508 2.760 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C[NH3+])[C@@H](C)C3)ccc21 ZINC001523028065 1062363529 /nfs/dbraw/zinc/36/35/29/1062363529.db2.gz MRJXHBRVIKXTIF-KBXCAEBGSA-N 1 0 357.498 2.961 20 10 FFCDRO COc1ccc(F)cc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001533684326 1063373378 /nfs/dbraw/zinc/37/33/78/1063373378.db2.gz OTMNREVZCPODRA-UHFFFAOYSA-N 1 0 357.429 2.516 20 10 FFCDRO COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001533684380 1063373615 /nfs/dbraw/zinc/37/36/15/1063373615.db2.gz PBBUSDXAGKBASW-UHFFFAOYSA-N 1 0 353.466 2.685 20 10 FFCDRO COc1ccc(N2C[C@H]([NH2+]Cc3ccc(N(C)C)c(F)c3)CC2=O)cc1 ZINC001474204086 1065470947 /nfs/dbraw/zinc/47/09/47/1065470947.db2.gz WGEHWUVGENGWRU-OAHLLOKOSA-N 1 0 357.429 2.795 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC001578424276 1078472346 /nfs/dbraw/zinc/47/23/46/1078472346.db2.gz CLZRHRGATYSCBF-MRXNPFEDSA-N 1 0 355.467 2.634 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CC[C@H]4CCCC[C@H]43)C2)cc1 ZINC001579224376 1078593538 /nfs/dbraw/zinc/59/35/38/1078593538.db2.gz GXRXSQSMGXRHDP-WOUAJJJCSA-N 1 0 357.498 2.558 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[NH2+]CC[C@H]4CCCC[C@@H]43)C2)cc1 ZINC001579224375 1078593611 /nfs/dbraw/zinc/59/36/11/1078593611.db2.gz GXRXSQSMGXRHDP-GIYDNNGJSA-N 1 0 357.498 2.558 20 10 FFCDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001556855304 1075781747 /nfs/dbraw/zinc/78/17/47/1075781747.db2.gz XPGBMHPCAPKXBM-IBGZPJMESA-N 1 0 369.509 2.897 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC)c1ccc(F)cc1)cc2=O ZINC001559671243 1076181938 /nfs/dbraw/zinc/18/19/38/1076181938.db2.gz IXWSEZLKFZUBHB-MRXNPFEDSA-N 1 0 372.400 2.992 20 10 FFCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 ZINC001560422506 1076272530 /nfs/dbraw/zinc/27/25/30/1076272530.db2.gz SNPBAFZMAJLFAR-LEWJYISDSA-N 1 0 352.478 2.736 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2Cl)cc1OC ZINC001560741246 1076295742 /nfs/dbraw/zinc/29/57/42/1076295742.db2.gz PXPYBNUBBPEZJE-AWEZNQCLSA-N 1 0 364.829 2.769 20 10 FFCDRO Cc1[nH+]c2cc(NCc3ccc(Cl)cc3O)ccc2n1C(CO)CO ZINC001560835802 1076303340 /nfs/dbraw/zinc/30/33/40/1076303340.db2.gz ZIVHSRMPVYTFCL-UHFFFAOYSA-N 1 0 361.829 2.842 20 10 FFCDRO CC[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC001564494008 1076637797 /nfs/dbraw/zinc/63/77/97/1076637797.db2.gz HTHYUNPICRSTDE-IPMKNSEASA-N 1 0 362.518 2.612 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001566562337 1076968821 /nfs/dbraw/zinc/96/88/21/1076968821.db2.gz GXEQBYYHKDTMIW-FGTMMUONSA-N 1 0 359.514 2.995 20 10 FFCDRO CO[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001586060129 1079537807 /nfs/dbraw/zinc/53/78/07/1079537807.db2.gz DFGFZELOGROPPS-VQTJNVASSA-N 1 0 373.472 2.998 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000367066339 512321440 /nfs/dbraw/zinc/32/14/40/512321440.db2.gz MPFFTPYIHGTGEA-NRFANRHFSA-N 1 0 373.541 2.756 20 10 FFCDRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000108767623 507917105 /nfs/dbraw/zinc/91/71/05/507917105.db2.gz KKGFOWAIYZKZNG-VMPITWQZSA-N 1 0 357.498 2.525 20 10 FFCDRO C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)Cc1ccccc1O ZINC000111235061 508080988 /nfs/dbraw/zinc/08/09/88/508080988.db2.gz JIQNPZBFFNEPHQ-IBGZPJMESA-N 1 0 358.413 2.563 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cccnc3)cc2F)CC1 ZINC000106701920 508403624 /nfs/dbraw/zinc/40/36/24/508403624.db2.gz DRFSJINUVXBTCP-SOFGYWHQSA-N 1 0 368.456 2.692 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000152527637 508464310 /nfs/dbraw/zinc/46/43/10/508464310.db2.gz HKJJABSPLJSMFU-UZLBHIALSA-N 1 0 374.456 2.753 20 10 FFCDRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127602132 508474799 /nfs/dbraw/zinc/47/47/99/508474799.db2.gz HJXMWHQCVZHQME-BSEYFRJRSA-N 1 0 356.507 2.860 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000156834764 508483431 /nfs/dbraw/zinc/48/34/31/508483431.db2.gz NJQGPKZLGZIPFF-MRXNPFEDSA-N 1 0 371.872 2.843 20 10 FFCDRO CCC[N@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1O ZINC000157071951 508518824 /nfs/dbraw/zinc/51/88/24/508518824.db2.gz ZQBSKUCDWDVZDR-UHFFFAOYSA-N 1 0 361.467 2.793 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000119914855 508889753 /nfs/dbraw/zinc/88/97/53/508889753.db2.gz NMMSDYXHPPDUHQ-QZTJIDSGSA-N 1 0 361.530 2.753 20 10 FFCDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000151098301 508956040 /nfs/dbraw/zinc/95/60/40/508956040.db2.gz NNIOHWGQQWUWAX-HNNXBMFYSA-N 1 0 363.477 2.571 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000191808860 509192313 /nfs/dbraw/zinc/19/23/13/509192313.db2.gz DMBWBUREPFJLRR-QGZVFWFLSA-N 1 0 370.449 2.609 20 10 FFCDRO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163480383 509381653 /nfs/dbraw/zinc/38/16/53/509381653.db2.gz WUFOHDDQRVBZIB-SJLPKXTDSA-N 1 0 366.477 2.899 20 10 FFCDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163480142 509381821 /nfs/dbraw/zinc/38/18/21/509381821.db2.gz WUFOHDDQRVBZIB-AEFFLSMTSA-N 1 0 366.477 2.899 20 10 FFCDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000236708604 509487158 /nfs/dbraw/zinc/48/71/58/509487158.db2.gz ZCRPRWILLQGJFM-INIZCTEOSA-N 1 0 373.419 2.532 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)ccc1O ZINC000186035516 509492991 /nfs/dbraw/zinc/49/29/91/509492991.db2.gz RVCGIJBKVNMMKJ-CYBMUJFWSA-N 1 0 364.442 2.922 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC1CC[NH2+]CC1 ZINC000236915638 509534229 /nfs/dbraw/zinc/53/42/29/509534229.db2.gz BFSSMHJQNMCNSZ-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000170779197 509772449 /nfs/dbraw/zinc/77/24/49/509772449.db2.gz OOEQMBHPZJDMGQ-LJQANCHMSA-N 1 0 363.479 2.741 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000183467809 509808556 /nfs/dbraw/zinc/80/85/56/509808556.db2.gz AOCLHPVBORNYLP-CRAIPNDOSA-N 1 0 354.450 2.810 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1O ZINC000177465665 510076489 /nfs/dbraw/zinc/07/64/89/510076489.db2.gz RVHUUEYHMPXNRE-KRWDZBQOSA-N 1 0 351.418 2.894 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cnc(C)nc3C)CC2)cc1 ZINC000268818985 510093744 /nfs/dbraw/zinc/09/37/44/510093744.db2.gz LIGJXYAHZLUIAI-MRXNPFEDSA-N 1 0 369.513 2.575 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(F)c(F)c1[O-] ZINC000191199637 510544985 /nfs/dbraw/zinc/54/49/85/510544985.db2.gz RWYDSPBCUUIELY-XJKSGUPXSA-N 1 0 362.420 2.740 20 10 FFCDRO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000172675798 510842476 /nfs/dbraw/zinc/84/24/76/510842476.db2.gz CRPZLJAQSYYETH-KRWDZBQOSA-N 1 0 353.466 2.982 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000275327648 510871960 /nfs/dbraw/zinc/87/19/60/510871960.db2.gz MGVLOISSLKHFJD-YGRLFVJLSA-N 1 0 354.248 2.581 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000270538782 510900604 /nfs/dbraw/zinc/90/06/04/510900604.db2.gz WYBNURQOKKJBKX-PWRODBHTSA-N 1 0 356.510 2.943 20 10 FFCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000282326174 510932292 /nfs/dbraw/zinc/93/22/92/510932292.db2.gz AJNUIZXOOXSXGG-MRXNPFEDSA-N 1 0 354.516 2.666 20 10 FFCDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000277266147 510957713 /nfs/dbraw/zinc/95/77/13/510957713.db2.gz PJNQUHAQTITGCK-OAHLLOKOSA-N 1 0 363.477 2.619 20 10 FFCDRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(N3CCCC3)cc2)CCCO1 ZINC000277275100 510958387 /nfs/dbraw/zinc/95/83/87/510958387.db2.gz BRTOOMMJOCAIFV-GOSISDBHSA-N 1 0 374.529 2.587 20 10 FFCDRO COc1c(O)c(CNc2cc(CSCCO)ccn2)ccc1[N+](=O)[O-] ZINC000278472516 510993835 /nfs/dbraw/zinc/99/38/35/510993835.db2.gz HPKOINFTIBCHPD-UHFFFAOYSA-N 1 0 365.411 2.542 20 10 FFCDRO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271123094 511090496 /nfs/dbraw/zinc/09/04/96/511090496.db2.gz GABYVDQYMJPXJJ-UHFFFAOYSA-N 1 0 369.421 2.907 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c1O ZINC000289432559 511100479 /nfs/dbraw/zinc/10/04/79/511100479.db2.gz KZSVRKXRZMTDGG-CYBMUJFWSA-N 1 0 354.406 2.565 20 10 FFCDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000289554404 511104093 /nfs/dbraw/zinc/10/40/93/511104093.db2.gz RIXRMZKKGZTTKJ-AWEZNQCLSA-N 1 0 352.431 2.510 20 10 FFCDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000289701152 511110469 /nfs/dbraw/zinc/11/04/69/511110469.db2.gz IPTCCUVFFWUQJT-LBPRGKRZSA-N 1 0 350.463 2.716 20 10 FFCDRO Cc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(C)n1-c1ccccn1 ZINC000290731674 511150290 /nfs/dbraw/zinc/15/02/90/511150290.db2.gz XJDGEZZYLBUCSG-SFHVURJKSA-N 1 0 352.482 2.951 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000294867043 511202350 /nfs/dbraw/zinc/20/23/50/511202350.db2.gz UKOPCHXVGLAMGE-DEOSSOPVSA-N 1 0 373.902 2.630 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1 ZINC000295101948 511282852 /nfs/dbraw/zinc/28/28/52/511282852.db2.gz VAOXDCYBGINCDF-HXUWFJFHSA-N 1 0 354.498 2.882 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(N)ccc3C)cc2F)CC1 ZINC000279972924 511286359 /nfs/dbraw/zinc/28/63/59/511286359.db2.gz YCQDGTZJTALBEZ-UHFFFAOYSA-N 1 0 370.472 2.788 20 10 FFCDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295118742 511288804 /nfs/dbraw/zinc/28/88/04/511288804.db2.gz MTWQRTPSARAHOO-GFCCVEGCSA-N 1 0 352.431 2.904 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)ccc21 ZINC000365224749 511325924 /nfs/dbraw/zinc/32/59/24/511325924.db2.gz OIDNQUHOWITEOZ-APWZRJJASA-N 1 0 355.482 2.729 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1SC ZINC000298608653 511346866 /nfs/dbraw/zinc/34/68/66/511346866.db2.gz ZTRDSKVZKOUMAA-KBAYOESNSA-N 1 0 354.491 2.661 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(C)cc1O ZINC000280184484 511368633 /nfs/dbraw/zinc/36/86/33/511368633.db2.gz RWVIIDICNFZHFU-CZUORRHYSA-N 1 0 357.376 2.925 20 10 FFCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000272352178 511492313 /nfs/dbraw/zinc/49/23/13/511492313.db2.gz YIHPLLZDLSHTQK-OLZOCXBDSA-N 1 0 364.442 2.856 20 10 FFCDRO C[C@@H](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000273230961 511520924 /nfs/dbraw/zinc/52/09/24/511520924.db2.gz VIAHPCFTOLAJHE-SFHVURJKSA-N 1 0 374.529 2.587 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000273617810 511552690 /nfs/dbraw/zinc/55/26/90/511552690.db2.gz YAPZPCFOJIYHGN-MDKPJZGXSA-N 1 0 370.493 2.934 20 10 FFCDRO CCN1CCO[C@@H](C[NH2+]Cc2cccc(OC)c2O)[C@@H]1c1ccccc1 ZINC000284759695 511855934 /nfs/dbraw/zinc/85/59/34/511855934.db2.gz ORENBLMZPRDGIT-PMACEKPBSA-N 1 0 356.466 2.952 20 10 FFCDRO COC1CCN(c2ccc(CN3CC(=O)N[C@H]4CCCC[C@H]43)cc2)CC1 ZINC000296879912 511934882 /nfs/dbraw/zinc/93/48/82/511934882.db2.gz WXFMJLCCFPTWCU-VQTJNVASSA-N 1 0 357.498 2.545 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000366287143 511940242 /nfs/dbraw/zinc/94/02/42/511940242.db2.gz SZWXSNBJOGXHPK-UHFFFAOYSA-N 1 0 351.443 2.583 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(O)c1 ZINC000275116252 512046227 /nfs/dbraw/zinc/04/62/27/512046227.db2.gz FQMPXHVMEXPDAH-CYBMUJFWSA-N 1 0 360.376 2.681 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000367615261 512585867 /nfs/dbraw/zinc/58/58/67/512585867.db2.gz KXEBQRBGLPUJMG-HXUWFJFHSA-N 1 0 369.513 2.598 20 10 FFCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000374012752 512620655 /nfs/dbraw/zinc/62/06/55/512620655.db2.gz FZORDWLJABVZGE-JMERFSKESA-N 1 0 351.418 2.892 20 10 FFCDRO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)n1 ZINC000378522546 512805617 /nfs/dbraw/zinc/80/56/17/512805617.db2.gz SPMJLJRZFMDGBR-MRXNPFEDSA-N 1 0 374.872 2.847 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374668833 512946421 /nfs/dbraw/zinc/94/64/21/512946421.db2.gz JYGRDWZHKVLGQD-MSOLQXFVSA-N 1 0 361.486 2.567 20 10 FFCDRO CCN(CCOC)C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000584011932 519546410 /nfs/dbraw/zinc/54/64/10/519546410.db2.gz QTLPUMSQLFCQSH-UHFFFAOYSA-N 1 0 357.498 2.903 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000736625646 598465360 /nfs/dbraw/zinc/46/53/60/598465360.db2.gz JRFFKBGCVQOKNY-UHFFFAOYSA-N 1 0 353.426 2.702 20 10 FFCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429261 608550114 /nfs/dbraw/zinc/55/01/14/608550114.db2.gz ZTRZHPIHEZIYFX-LBPRGKRZSA-N 1 0 367.409 2.884 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000153030451 728771098 /nfs/dbraw/zinc/77/10/98/728771098.db2.gz VNAVNBXJFMEINC-SFHVURJKSA-N 1 0 350.459 2.721 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000154513974 728805909 /nfs/dbraw/zinc/80/59/09/728805909.db2.gz AZWKNQSHNXKZBR-AWEZNQCLSA-N 1 0 356.561 2.902 20 10 FFCDRO CC[NH+](CC)CCSCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156353902 728848962 /nfs/dbraw/zinc/84/89/62/728848962.db2.gz SIBFMKPHBFHNMT-UHFFFAOYSA-N 1 0 350.528 2.962 20 10 FFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1ccccc1O ZINC000156812387 728859474 /nfs/dbraw/zinc/85/94/74/728859474.db2.gz LFHRPTZHUXXSPB-CQSZACIVSA-N 1 0 354.497 2.781 20 10 FFCDRO C[C@H](CC(F)(F)F)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899100952 735447190 /nfs/dbraw/zinc/44/71/90/735447190.db2.gz DOIDDUQOAVGROE-DOMZBBRYSA-N 1 0 360.424 2.995 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCCC(F)(F)F)[NH+](C)C)cc1 ZINC000899100879 735447482 /nfs/dbraw/zinc/44/74/82/735447482.db2.gz CEAINCHFUKQCRG-HNNXBMFYSA-N 1 0 360.424 2.997 20 10 FFCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585547 728468959 /nfs/dbraw/zinc/46/89/59/728468959.db2.gz UMCHIJHCZOAMRS-ZDUSSCGKSA-N 1 0 364.467 2.631 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC3(Cl)Cl)cc2F)CC1 ZINC000106702683 728511646 /nfs/dbraw/zinc/51/16/46/728511646.db2.gz VLVHZAJPIBLCTI-CYBMUJFWSA-N 1 0 374.287 2.778 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000123198317 728656322 /nfs/dbraw/zinc/65/63/22/728656322.db2.gz YGALAHBTKWHQNC-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(Br)c1 ZINC000127527289 728706559 /nfs/dbraw/zinc/70/65/59/728706559.db2.gz KDUGDKPDOQKIOD-AWEZNQCLSA-N 1 0 362.271 2.948 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 ZINC000129759579 728713078 /nfs/dbraw/zinc/71/30/78/728713078.db2.gz ITHNMHJXSWOVGO-MRXNPFEDSA-N 1 0 365.543 2.752 20 10 FFCDRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000134263177 728729361 /nfs/dbraw/zinc/72/93/61/728729361.db2.gz DAVGGZFDUOBNMB-CRAIPNDOSA-N 1 0 352.862 2.695 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000180554565 729218003 /nfs/dbraw/zinc/21/80/03/729218003.db2.gz URRGYFOETMMLEO-SFHVURJKSA-N 1 0 366.527 2.835 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000779022230 738430183 /nfs/dbraw/zinc/43/01/83/738430183.db2.gz PCGTXYWZYVLZOC-STQMWFEESA-N 1 0 357.292 2.834 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000779022227 738430251 /nfs/dbraw/zinc/43/02/51/738430251.db2.gz PCGTXYWZYVLZOC-CHWSQXEVSA-N 1 0 357.292 2.834 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000779022042 738430272 /nfs/dbraw/zinc/43/02/72/738430272.db2.gz KCHOWRUNNLBPJJ-STQMWFEESA-N 1 0 357.292 2.834 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1O ZINC000779038771 738431209 /nfs/dbraw/zinc/43/12/09/738431209.db2.gz NBKLJDPUHXBMAS-SLEUVZQESA-N 1 0 357.292 2.833 20 10 FFCDRO C[C@H](CCO)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779422097 738463087 /nfs/dbraw/zinc/46/30/87/738463087.db2.gz UNGREJQCJMJBNF-RHSMWYFYSA-N 1 0 351.491 2.679 20 10 FFCDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000858088139 730416190 /nfs/dbraw/zinc/41/61/90/730416190.db2.gz ROKADSNVEZGKET-ZDUSSCGKSA-N 1 0 357.292 2.601 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1F ZINC000858117421 730417030 /nfs/dbraw/zinc/41/70/30/730417030.db2.gz MVKISMOUYVRABI-UHFFFAOYSA-N 1 0 368.449 2.865 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000858141346 730417607 /nfs/dbraw/zinc/41/76/07/730417607.db2.gz NRMCJZNAOKHDNS-AWEZNQCLSA-N 1 0 353.457 2.621 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1F ZINC000858149328 730417884 /nfs/dbraw/zinc/41/78/84/730417884.db2.gz HLUIGQJHAVIKJN-ZDUSSCGKSA-N 1 0 350.388 2.933 20 10 FFCDRO C[N@@H+]1CC[C@@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1(C)C ZINC000858176272 730418776 /nfs/dbraw/zinc/41/87/76/730418776.db2.gz SJSJOLNXHXOLOE-OAHLLOKOSA-N 1 0 353.457 2.764 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCN3CC(F)F)CC2)cc1 ZINC000858231013 730420426 /nfs/dbraw/zinc/42/04/26/730420426.db2.gz HVMKIQAMCJNYEM-QGZVFWFLSA-N 1 0 353.457 2.983 20 10 FFCDRO Oc1cccc(Br)c1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000862217964 730677243 /nfs/dbraw/zinc/67/72/43/730677243.db2.gz ZLAVONKCBNPRNN-AWEZNQCLSA-N 1 0 369.303 2.841 20 10 FFCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(O)cccc1Br ZINC000862350815 730690579 /nfs/dbraw/zinc/69/05/79/730690579.db2.gz CEOLCPUAKNVPPG-ZDUSSCGKSA-N 1 0 369.303 2.840 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000862356655 730691401 /nfs/dbraw/zinc/69/14/01/730691401.db2.gz MGZQEUKJYMSZJR-HNNXBMFYSA-N 1 0 353.457 2.575 20 10 FFCDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862402766 730697730 /nfs/dbraw/zinc/69/77/30/730697730.db2.gz RGSOJZJWZBHYAH-OAHLLOKOSA-N 1 0 367.287 2.891 20 10 FFCDRO C[C@@](CO)([NH2+]Cc1cc(Br)ccc1O)c1cccc(O)c1 ZINC000862431022 730702142 /nfs/dbraw/zinc/70/21/42/730702142.db2.gz BNWPAMLCLNEELO-INIZCTEOSA-N 1 0 352.228 2.858 20 10 FFCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000862487890 730704645 /nfs/dbraw/zinc/70/46/45/730704645.db2.gz XLSXZOJYQIQWHD-CYBMUJFWSA-N 1 0 370.243 2.905 20 10 FFCDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000862544059 730708557 /nfs/dbraw/zinc/70/85/57/730708557.db2.gz SBTQHYRERDTHHM-GXTWGEPZSA-N 1 0 368.231 2.774 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1 ZINC000866493773 731066917 /nfs/dbraw/zinc/06/69/17/731066917.db2.gz ZKBABIHFBNWHKD-YSVLISHTSA-N 1 0 350.459 2.722 20 10 FFCDRO Cn1ncc(I)c1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000866632185 731081732 /nfs/dbraw/zinc/08/17/32/731081732.db2.gz VCTIODASCXRGNW-NSHDSACASA-N 1 0 369.206 2.507 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=S)NCC[NH+](C)C)cc1 ZINC000918723466 737820469 /nfs/dbraw/zinc/82/04/69/737820469.db2.gz ZCEYTTCEYOHDMA-UHFFFAOYSA-N 1 0 360.527 2.784 20 10 FFCDRO C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000925781708 738529312 /nfs/dbraw/zinc/52/93/12/738529312.db2.gz ZTGNVJVZWFESPA-UKRRQHHQSA-N 1 0 357.420 2.558 20 10 FFCDRO C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cc1O ZINC000925792022 738530211 /nfs/dbraw/zinc/53/02/11/738530211.db2.gz NUGOQQLHYVODSD-JSGCOSHPSA-N 1 0 369.303 2.964 20 10 FFCDRO O=C1CC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCN1 ZINC000873035143 731866721 /nfs/dbraw/zinc/86/67/21/731866721.db2.gz GZTAELIDRWUFMC-CYBMUJFWSA-N 1 0 353.413 2.515 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1F ZINC000877027513 732314711 /nfs/dbraw/zinc/31/47/11/732314711.db2.gz PERFRMWLAGHIKJ-UHFFFAOYSA-N 1 0 365.474 2.609 20 10 FFCDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877075809 732321626 /nfs/dbraw/zinc/32/16/26/732321626.db2.gz IHKCMWGBMWMFKU-AUBMYDRESA-N 1 0 364.555 2.817 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877728463 732420431 /nfs/dbraw/zinc/42/04/31/732420431.db2.gz PKMREEXDFXJKRT-CQSZACIVSA-N 1 0 356.260 2.830 20 10 FFCDRO C[C@H]1CC2(CC([NH2+]Cc3cc(F)c(N4CCOCC4)c(F)c3)C2)CO1 ZINC000926557943 738629735 /nfs/dbraw/zinc/62/97/35/738629735.db2.gz BCGCECZJMXNWBM-XIWWETDGSA-N 1 0 352.425 2.849 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000781629577 738642492 /nfs/dbraw/zinc/64/24/92/738642492.db2.gz JXXGQUYMVZOKPC-UHFFFAOYSA-N 1 0 370.335 2.580 20 10 FFCDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(Br)cc1O ZINC000927038858 738684580 /nfs/dbraw/zinc/68/45/80/738684580.db2.gz GZTQBHSBPPOTSS-SMHCIBLRSA-N 1 0 374.300 2.914 20 10 FFCDRO CCCN(CC(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669887 734206355 /nfs/dbraw/zinc/20/63/55/734206355.db2.gz GEBNTISOEIPGGN-UHFFFAOYSA-N 1 0 354.445 2.625 20 10 FFCDRO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000890757734 734336409 /nfs/dbraw/zinc/33/64/09/734336409.db2.gz JTCWOUSMEYBVDQ-MRXNPFEDSA-N 1 0 359.857 2.969 20 10 FFCDRO COc1cccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)c1O ZINC000725849233 734396360 /nfs/dbraw/zinc/39/63/60/734396360.db2.gz BCETZRQFJLXCMW-UHFFFAOYSA-N 1 0 365.227 2.892 20 10 FFCDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000729980136 734606616 /nfs/dbraw/zinc/60/66/16/734606616.db2.gz MCPPSJSQZXHQIS-INIZCTEOSA-N 1 0 361.511 2.996 20 10 FFCDRO Cc1nc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)sc1C ZINC000893327349 734687397 /nfs/dbraw/zinc/68/73/97/734687397.db2.gz ANFFRYRUVBXDBF-MRXNPFEDSA-N 1 0 358.511 2.751 20 10 FFCDRO CN(Cc1nc(Br)c[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000893572440 734721190 /nfs/dbraw/zinc/72/11/90/734721190.db2.gz QAMMWYPNAJFGKB-UHFFFAOYSA-N 1 0 353.264 2.749 20 10 FFCDRO CCc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000733299753 734805370 /nfs/dbraw/zinc/80/53/70/734805370.db2.gz JJZMTPHVLFCPOW-MRXNPFEDSA-N 1 0 368.543 2.766 20 10 FFCDRO COc1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c(O)c1OC ZINC000894784311 734917112 /nfs/dbraw/zinc/91/71/12/734917112.db2.gz MKAYJLHWVYECBI-UHFFFAOYSA-N 1 0 362.392 2.868 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C2CC2)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744501 734960128 /nfs/dbraw/zinc/96/01/28/734960128.db2.gz SARDPGKIQDCUPQ-INIZCTEOSA-N 1 0 355.404 2.880 20 10 FFCDRO COC(=O)c1nc(C[NH2+]Cc2ccc(OC)c(OC)c2O)ccc1Cl ZINC000895342231 734993644 /nfs/dbraw/zinc/99/36/44/734993644.db2.gz NZUNZUWZFYZLPM-UHFFFAOYSA-N 1 0 366.801 2.534 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1OC ZINC000895471602 735011628 /nfs/dbraw/zinc/01/16/28/735011628.db2.gz TZOQNKHGTQULLI-GFCCVEGCSA-N 1 0 354.447 2.754 20 10 FFCDRO C[C@@]1(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)COC(=O)N1 ZINC000896468059 735166298 /nfs/dbraw/zinc/16/62/98/735166298.db2.gz VUVBJYJXBKBRLF-INIZCTEOSA-N 1 0 369.259 2.865 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000896621738 735177106 /nfs/dbraw/zinc/17/71/06/735177106.db2.gz CYDWPGUKWAKWHR-UHFFFAOYSA-N 1 0 356.260 2.566 20 10 FFCDRO O=C1OCCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000897591314 735252483 /nfs/dbraw/zinc/25/24/83/735252483.db2.gz KFZMLJNUIZZUCS-UHFFFAOYSA-N 1 0 369.259 2.961 20 10 FFCDRO CSC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC[NH+](C)CC1 ZINC000897797376 735277920 /nfs/dbraw/zinc/27/79/20/735277920.db2.gz NMHILUBLQIRWNJ-UHFFFAOYSA-N 1 0 366.508 2.870 20 10 FFCDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000902672093 735979816 /nfs/dbraw/zinc/97/98/16/735979816.db2.gz RATVVNVFOSDKMX-VWLOTQADSA-N 1 0 365.543 2.667 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000903296267 736072116 /nfs/dbraw/zinc/07/21/16/736072116.db2.gz DEEVGRSCZJPRBN-OASPWFOLSA-N 1 0 360.248 2.618 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc(Cl)ccc1O ZINC000756561097 736343666 /nfs/dbraw/zinc/34/36/66/736343666.db2.gz AYOBHOKFEFCMGH-CYBMUJFWSA-N 1 0 353.894 2.639 20 10 FFCDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756761290 736359635 /nfs/dbraw/zinc/35/96/35/736359635.db2.gz SZUBIACSHFSUSF-WCFLWFBJSA-N 1 0 356.463 2.811 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Br)ccc1O ZINC000757653551 736416337 /nfs/dbraw/zinc/41/63/37/736416337.db2.gz JLKQAGUGIMOMTG-JQWIXIFHSA-N 1 0 362.289 2.773 20 10 FFCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000760698580 736661562 /nfs/dbraw/zinc/66/15/62/736661562.db2.gz LPCSSKKZPLGJNH-SHACYNPGSA-N 1 0 353.488 2.832 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000764751506 737046095 /nfs/dbraw/zinc/04/60/95/737046095.db2.gz QNSMKQJPNUJNRX-LSDHHAIUSA-N 1 0 354.491 2.901 20 10 FFCDRO C[C@H](CNC(=O)NCc1cccc(Br)c1O)C[NH+]1CCCC1 ZINC000764790190 737050201 /nfs/dbraw/zinc/05/02/01/737050201.db2.gz IBANUWSSBISFGD-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000765279576 737104023 /nfs/dbraw/zinc/10/40/23/737104023.db2.gz NGHXKWAHWBCCNW-INIZCTEOSA-N 1 0 361.511 2.523 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290078 737105398 /nfs/dbraw/zinc/10/53/98/737105398.db2.gz HECARVVTPWUALA-HZMBPMFUSA-N 1 0 352.784 2.750 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000765290081 737105537 /nfs/dbraw/zinc/10/55/37/737105537.db2.gz HECARVVTPWUALA-QMTHXVAHSA-N 1 0 352.784 2.750 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)oc1Br ZINC000911667313 737222298 /nfs/dbraw/zinc/22/22/98/737222298.db2.gz PUFSVVMZLJXVHZ-ZDUSSCGKSA-N 1 0 366.259 2.846 20 10 FFCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000767917960 737382249 /nfs/dbraw/zinc/38/22/49/737382249.db2.gz XQDLEBSSPSUYAA-QGZVFWFLSA-N 1 0 350.528 2.980 20 10 FFCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000769146240 737500913 /nfs/dbraw/zinc/50/09/13/737500913.db2.gz PRFKRJPRIAZKCZ-ZDUSSCGKSA-N 1 0 364.467 2.631 20 10 FFCDRO CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c(O)c1 ZINC000769146237 737501119 /nfs/dbraw/zinc/50/11/19/737501119.db2.gz PRFKRJPRIAZKCZ-CYBMUJFWSA-N 1 0 364.467 2.631 20 10 FFCDRO CN(C)c1ccc(C[N@H+](Cc2cc(=O)n3ccsc3n2)C2CC2)cc1 ZINC000771791343 737756017 /nfs/dbraw/zinc/75/60/17/737756017.db2.gz OERZVMBXHDIZHV-UHFFFAOYSA-N 1 0 354.479 2.987 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000917488600 737760887 /nfs/dbraw/zinc/76/08/87/737760887.db2.gz UNAIBLGBVIODRQ-UHFFFAOYSA-N 1 0 350.415 2.564 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCO1 ZINC000772486716 737817628 /nfs/dbraw/zinc/81/76/28/737817628.db2.gz GDQLCQSETYRYIW-DOTOQJQBSA-N 1 0 352.862 2.695 20 10 FFCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000919942094 737883868 /nfs/dbraw/zinc/88/38/68/737883868.db2.gz GHZTZQXLRVAHLG-UHFFFAOYSA-N 1 0 358.467 2.583 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000775013276 738053079 /nfs/dbraw/zinc/05/30/79/738053079.db2.gz UJSHPPBTALOBSX-KRWDZBQOSA-N 1 0 358.507 2.815 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000776014210 738152230 /nfs/dbraw/zinc/15/22/30/738152230.db2.gz QKRVXNLGKDIBFA-UONOGXRCSA-N 1 0 372.259 2.697 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c(O)c1 ZINC000776940446 738246684 /nfs/dbraw/zinc/24/66/84/738246684.db2.gz WTILFCLPDMEBEW-OAHLLOKOSA-N 1 0 362.857 2.878 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3sccc3Cl)cc2)CC1 ZINC000785467392 738966317 /nfs/dbraw/zinc/96/63/17/738966317.db2.gz XBPOBWSOXLTNLE-UHFFFAOYSA-N 1 0 370.927 2.926 20 10 FFCDRO CO[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000786831550 739080408 /nfs/dbraw/zinc/08/04/08/739080408.db2.gz QQBFTMPSDFUAIH-OAHLLOKOSA-N 1 0 350.356 2.719 20 10 FFCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C1 ZINC000788543554 739257197 /nfs/dbraw/zinc/25/71/97/739257197.db2.gz XAHXKRDBQORWKU-WMZOPIPTSA-N 1 0 368.568 2.685 20 10 FFCDRO COC(=O)[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000789572821 739369308 /nfs/dbraw/zinc/36/93/08/739369308.db2.gz REFKENFXMZJXFM-SFHVURJKSA-N 1 0 359.495 2.504 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)c(C(F)(F)F)c1 ZINC000792811366 739708813 /nfs/dbraw/zinc/70/88/13/739708813.db2.gz KFRDZBVCBQMGKK-UHFFFAOYSA-N 1 0 359.436 2.660 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)S(C)(=O)=O ZINC000796341798 740133847 /nfs/dbraw/zinc/13/38/47/740133847.db2.gz YUNVBCONNGXJJN-INIZCTEOSA-N 1 0 358.507 2.772 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000797999655 740297971 /nfs/dbraw/zinc/29/79/71/740297971.db2.gz UMEODDYMAUNKDM-CQSZACIVSA-N 1 0 366.458 2.811 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805099973 740938076 /nfs/dbraw/zinc/93/80/76/740938076.db2.gz PLDSVLQGKFTJKS-AWEZNQCLSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCSc1nccs1 ZINC000806959292 741098374 /nfs/dbraw/zinc/09/83/74/741098374.db2.gz SWIAZEFVQZOCKO-KGLIPLIRSA-N 1 0 354.545 2.894 20 10 FFCDRO CCOc1ccc(C[N@H+](C)CCn2cc(Br)cn2)c(O)c1 ZINC000809792905 741343958 /nfs/dbraw/zinc/34/39/58/741343958.db2.gz KTRLWVVOBTZVMC-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO C[C@](O)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000813488709 741724613 /nfs/dbraw/zinc/72/46/13/741724613.db2.gz CSGXADZZBPKPRN-VQIMIIECSA-N 1 0 366.889 2.677 20 10 FFCDRO C[C@@](O)(C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000813488706 741724757 /nfs/dbraw/zinc/72/47/57/741724757.db2.gz CSGXADZZBPKPRN-APWZRJJASA-N 1 0 366.889 2.677 20 10 FFCDRO C[NH+](C)C1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000817178343 742102098 /nfs/dbraw/zinc/10/20/98/742102098.db2.gz UBYCDWJYXDCLCZ-UHFFFAOYSA-N 1 0 370.291 2.827 20 10 FFCDRO COc1cc(Cl)cc(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1O ZINC000817405854 742138501 /nfs/dbraw/zinc/13/85/01/742138501.db2.gz KIHPKQJTPJZZPI-UHFFFAOYSA-N 1 0 362.861 2.813 20 10 FFCDRO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1cc(Br)ccc1O ZINC000817975009 742225979 /nfs/dbraw/zinc/22/59/79/742225979.db2.gz PTXXMQATVDFFQH-GOEBONIOSA-N 1 0 357.292 2.964 20 10 FFCDRO CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120046 742339676 /nfs/dbraw/zinc/33/96/76/742339676.db2.gz IQYRWBBWDARREF-ZBFHGGJFSA-N 1 0 358.429 2.632 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000819892769 742441025 /nfs/dbraw/zinc/44/10/25/742441025.db2.gz BETGYTHPNJPOCU-UHFFFAOYSA-N 1 0 350.503 2.938 20 10 FFCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)cc1O ZINC000825375336 743258263 /nfs/dbraw/zinc/25/82/63/743258263.db2.gz LQXTYLKBJFBZAZ-HNNXBMFYSA-N 1 0 354.219 2.987 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826534628 743391545 /nfs/dbraw/zinc/39/15/45/743391545.db2.gz IQEFGLLUBRRLTQ-RWMBFGLXSA-N 1 0 357.292 2.742 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827172409 743525461 /nfs/dbraw/zinc/52/54/61/743525461.db2.gz RSDHTQYAFGZCLN-GWCFXTLKSA-N 1 0 362.289 2.518 20 10 FFCDRO CC(C)C[NH+]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000827281677 743547237 /nfs/dbraw/zinc/54/72/37/743547237.db2.gz JJIAVVMWAAPYGF-UHFFFAOYSA-N 1 0 358.511 2.730 20 10 FFCDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000827634392 744951509 /nfs/dbraw/zinc/95/15/09/744951509.db2.gz OIZVYAOCNFUHPX-GFCCVEGCSA-N 1 0 353.260 2.599 20 10 FFCDRO CO[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544637 745378175 /nfs/dbraw/zinc/37/81/75/745378175.db2.gz SDNYRYHXIIEFOA-IAOVAPTHSA-N 1 0 366.889 2.941 20 10 FFCDRO CC(C)[NH2+]CCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830663539 745400060 /nfs/dbraw/zinc/40/00/60/745400060.db2.gz AFUUUEZFHHSXBW-AWEZNQCLSA-N 1 0 355.429 2.761 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831212627 745499364 /nfs/dbraw/zinc/49/93/64/745499364.db2.gz SBIRGCBHFLTPQC-WDEREUQCSA-N 1 0 358.280 2.812 20 10 FFCDRO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)CCOCC1 ZINC000834519757 745852710 /nfs/dbraw/zinc/85/27/10/745852710.db2.gz ZNPPILWJBKMBQE-MRXNPFEDSA-N 1 0 350.528 2.914 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834850444 745914048 /nfs/dbraw/zinc/91/40/48/745914048.db2.gz MOIOWTSTQJPMJL-JSGCOSHPSA-N 1 0 357.292 2.652 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000835054626 745940284 /nfs/dbraw/zinc/94/02/84/745940284.db2.gz WTVVOEDQZOZLLW-LIMHQNJXSA-N 1 0 357.420 2.619 20 10 FFCDRO C[C@@H](CCn1cccn1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145643 746787633 /nfs/dbraw/zinc/78/76/33/746787633.db2.gz RVOVYUDLCRLFDG-AWEZNQCLSA-N 1 0 350.413 2.566 20 10 FFCDRO O=S1(=O)CCCN1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000840169706 747026178 /nfs/dbraw/zinc/02/61/78/747026178.db2.gz ASKHACKYKBRGHZ-UHFFFAOYSA-N 1 0 360.479 2.545 20 10 FFCDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840189186 747033263 /nfs/dbraw/zinc/03/32/63/747033263.db2.gz UQJCMCPXDDPIEQ-ZDUSSCGKSA-N 1 0 353.484 2.733 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c(O)cc(C)cc2Cl)cc1 ZINC000840885354 747212771 /nfs/dbraw/zinc/21/27/71/747212771.db2.gz CMDVECHVWGXCTB-UHFFFAOYSA-N 1 0 368.886 2.731 20 10 FFCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840888732 747213496 /nfs/dbraw/zinc/21/34/96/747213496.db2.gz BVRSZUDOCYAHDY-UONOGXRCSA-N 1 0 353.894 2.740 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000840893381 747216418 /nfs/dbraw/zinc/21/64/18/747216418.db2.gz IXDQOSPEQKLVPX-HZPDHXFCSA-N 1 0 352.544 2.795 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)c(Cl)c1 ZINC000840953269 747241572 /nfs/dbraw/zinc/24/15/72/747241572.db2.gz NEZPLXFSELTOPS-MRXNPFEDSA-N 1 0 355.862 2.859 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000841104029 747270194 /nfs/dbraw/zinc/27/01/94/747270194.db2.gz MPHIASWJVJCRGE-ZBFHGGJFSA-N 1 0 369.849 2.672 20 10 FFCDRO [NH3+]CCOc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000841325695 747317573 /nfs/dbraw/zinc/31/75/73/747317573.db2.gz RYDOVIKBFGKHPV-UHFFFAOYSA-N 1 0 352.485 2.785 20 10 FFCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707177 747436842 /nfs/dbraw/zinc/43/68/42/747436842.db2.gz PAIFGPLCTCJPNF-FUHWJXTLSA-N 1 0 362.543 2.557 20 10 FFCDRO [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCC1 ZINC000841706791 747436844 /nfs/dbraw/zinc/43/68/44/747436844.db2.gz KNQFZGXKHYNVJK-SFHVURJKSA-N 1 0 362.543 2.557 20 10 FFCDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000841707438 747437571 /nfs/dbraw/zinc/43/75/71/747437571.db2.gz TVOLKIWRQFLULI-QGZVFWFLSA-N 1 0 362.543 2.571 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000841797684 747463019 /nfs/dbraw/zinc/46/30/19/747463019.db2.gz AJSKZAVAQXRJDJ-CQSZACIVSA-N 1 0 350.482 2.941 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000841797677 747463085 /nfs/dbraw/zinc/46/30/85/747463085.db2.gz AJSKZAVAQXRJDJ-AWEZNQCLSA-N 1 0 350.482 2.941 20 10 FFCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841897821 747484890 /nfs/dbraw/zinc/48/48/90/747484890.db2.gz XPBSFOXZFBTXIN-KGLIPLIRSA-N 1 0 352.910 2.970 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000841939410 747489892 /nfs/dbraw/zinc/48/98/92/747489892.db2.gz HCFXXOWLRZPHHG-CQSZACIVSA-N 1 0 370.291 2.862 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1([NH3+])CCC1 ZINC000841966831 747493297 /nfs/dbraw/zinc/49/32/97/747493297.db2.gz GRVPFJBGUORJLZ-UHFFFAOYSA-N 1 0 356.264 2.568 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000842644697 747647211 /nfs/dbraw/zinc/64/72/11/747647211.db2.gz SWUHIGVXYUFVDQ-QGZVFWFLSA-N 1 0 356.388 2.771 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842914500 747719627 /nfs/dbraw/zinc/71/96/27/747719627.db2.gz GTOZCNHEZGSSHY-BDJLRTHQSA-N 1 0 358.276 2.983 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCSCc2ccccn2)cc1 ZINC000844163310 747982399 /nfs/dbraw/zinc/98/23/99/747982399.db2.gz YKSFCJVXNYQYMW-SFHVURJKSA-N 1 0 358.511 2.587 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000846182293 748425007 /nfs/dbraw/zinc/42/50/07/748425007.db2.gz BLIAUZSCWFXBSV-AEFFLSMTSA-N 1 0 365.543 2.752 20 10 FFCDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cc(Cl)ccc1O ZINC000846476781 748488997 /nfs/dbraw/zinc/48/89/97/748488997.db2.gz QCTHNEBFGMJOLO-UHFFFAOYSA-N 1 0 352.862 2.697 20 10 FFCDRO C[N@H+](Cc1ccccc1O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846824204 748552336 /nfs/dbraw/zinc/55/23/36/748552336.db2.gz KHFGIZHFFLJCRU-LJQANCHMSA-N 1 0 350.459 2.586 20 10 FFCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848527054 748949739 /nfs/dbraw/zinc/94/97/39/748949739.db2.gz QGKMNNNGIBKQDS-JTQLQIEISA-N 1 0 359.264 2.682 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000848533006 748952130 /nfs/dbraw/zinc/95/21/30/748952130.db2.gz FZKDEZDIPGETNN-ZJNREGCTSA-N 1 0 364.305 2.971 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1O ZINC000848536277 748953543 /nfs/dbraw/zinc/95/35/43/748953543.db2.gz PICANRCULAUEFW-FIXISWKDSA-N 1 0 373.291 2.533 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848536104 748953587 /nfs/dbraw/zinc/95/35/87/748953587.db2.gz KKTCWVFXFCGWIO-NDMJEZRESA-N 1 0 371.275 2.729 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1O ZINC000848549304 748957374 /nfs/dbraw/zinc/95/73/74/748957374.db2.gz SIUZETQDIKETLD-LLVKDONJSA-N 1 0 374.275 2.746 20 10 FFCDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000848918615 749034884 /nfs/dbraw/zinc/03/48/84/749034884.db2.gz FYELXTAYNOQPLQ-OAHLLOKOSA-N 1 0 367.287 2.891 20 10 FFCDRO COc1cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850287821 749334783 /nfs/dbraw/zinc/33/47/83/749334783.db2.gz FMHIFUUPZGFGDR-YOEHRIQHSA-N 1 0 353.503 2.946 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC000850347887 749346805 /nfs/dbraw/zinc/34/68/05/749346805.db2.gz ZTECEGNQEZQCIB-OAHLLOKOSA-N 1 0 357.420 2.890 20 10 FFCDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813165 970979323 /nfs/dbraw/zinc/97/93/23/970979323.db2.gz FFOCXPWFUFJCCO-MRXNPFEDSA-N 1 0 367.493 2.815 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275838019 1013061449 /nfs/dbraw/zinc/06/14/49/1013061449.db2.gz RSFDHUAJSORTNQ-IBGZPJMESA-N 1 0 366.889 2.897 20 10 FFCDRO O=C1N(CCn2ccnc2)CC[C@]12CCC[N@H+]2Cc1c(O)cccc1Cl ZINC001275838397 1013063220 /nfs/dbraw/zinc/06/32/20/1013063220.db2.gz WQARTHUOHJSZIB-LJQANCHMSA-N 1 0 374.872 2.509 20 10 FFCDRO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001275837613 1013066160 /nfs/dbraw/zinc/06/61/60/1013066160.db2.gz KODXIVKYPLQMRK-HNNXBMFYSA-N 1 0 366.889 2.800 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CC[NH2+]CC1CC1 ZINC001105084629 971474100 /nfs/dbraw/zinc/47/41/00/971474100.db2.gz XCWUNOYBPGDQTR-CZUORRHYSA-N 1 0 357.458 2.947 20 10 FFCDRO Cn1ccc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)n1 ZINC000896494185 971521287 /nfs/dbraw/zinc/52/12/87/971521287.db2.gz BXUDMUYAXZHBPD-UHFFFAOYSA-N 1 0 354.498 2.761 20 10 FFCDRO [O-]c1c(CN2CC3(C[NH2+]C3)C2)cc(Br)cc1C(F)(F)F ZINC001222465669 971891754 /nfs/dbraw/zinc/89/17/54/971891754.db2.gz XEIZLITULPAWOT-UHFFFAOYSA-N 1 0 351.166 2.579 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026966740 972202726 /nfs/dbraw/zinc/20/27/26/972202726.db2.gz COWNGTURWRYHML-QRVBRYPASA-N 1 0 360.498 2.757 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnccn2)cc1C ZINC001087113057 960307965 /nfs/dbraw/zinc/30/79/65/960307965.db2.gz AAKNIDVCXYAOCX-QAPCUYQASA-N 1 0 368.481 2.824 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H](O)C2CC2)C1 ZINC000683490514 960786233 /nfs/dbraw/zinc/78/62/33/960786233.db2.gz QVLQTXKKLZWSNV-NRFANRHFSA-N 1 0 369.509 2.637 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000773395318 1013277221 /nfs/dbraw/zinc/27/72/21/1013277221.db2.gz FHGXEHZXGOCWOF-SOLBZPMBSA-N 1 0 352.434 2.647 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000653143526 962227685 /nfs/dbraw/zinc/22/76/85/962227685.db2.gz RKCLJEXDKQCYLB-BEFAXECRSA-N 1 0 367.493 2.739 20 10 FFCDRO COc1ccc(C[NH2+]CCCn2nc(C)cc2C)cc1Cn1cccn1 ZINC000873007761 1013344759 /nfs/dbraw/zinc/34/47/59/1013344759.db2.gz DUAFKXUJGAGDOC-UHFFFAOYSA-N 1 0 353.470 2.933 20 10 FFCDRO CCCc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(=O)[nH]1 ZINC000891244288 962547603 /nfs/dbraw/zinc/54/76/03/962547603.db2.gz ZFROHDRAKUBMEO-IBGZPJMESA-N 1 0 370.497 2.838 20 10 FFCDRO C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245258 962558615 /nfs/dbraw/zinc/55/86/15/962558615.db2.gz BHEJIGJNKPZDBW-XMCHAPAWSA-N 1 0 369.513 2.561 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cncc3[nH]ccc32)[NH+](C)C)cc1 ZINC000891248561 962576873 /nfs/dbraw/zinc/57/68/73/962576873.db2.gz YRPBRELADRIPJE-IBGZPJMESA-N 1 0 351.454 2.662 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2[nH]ncc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891248151 962579510 /nfs/dbraw/zinc/57/95/10/962579510.db2.gz WDGDAKFZQKNPBR-AWEZNQCLSA-N 1 0 369.391 2.527 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)c2ccccn2)[NH+](C)C)cc1 ZINC000891250598 962591847 /nfs/dbraw/zinc/59/18/47/962591847.db2.gz XURPWLWNFYBRGQ-GOSISDBHSA-N 1 0 354.498 2.844 20 10 FFCDRO COCc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891254922 962615161 /nfs/dbraw/zinc/61/51/61/962615161.db2.gz KCMBOPVPBDCCFA-FQEVSTJZSA-N 1 0 355.482 2.932 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc([S@@](C)=O)cc2)[NH+](C)C)cc1 ZINC000891255980 962618860 /nfs/dbraw/zinc/61/88/60/962618860.db2.gz UPATWEXQIVLHEK-NIYFSFCBSA-N 1 0 373.522 2.523 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1Cn1cccn1 ZINC000873052603 1013364756 /nfs/dbraw/zinc/36/47/56/1013364756.db2.gz RLEFPHFMQRXSMQ-HXUWFJFHSA-N 1 0 351.450 2.633 20 10 FFCDRO COc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1Cn1cccn1 ZINC000873107088 1013388260 /nfs/dbraw/zinc/38/82/60/1013388260.db2.gz YTNDSQGBVVVRPF-UHFFFAOYSA-N 1 0 369.494 2.575 20 10 FFCDRO OCC[NH2+]C1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000873218105 1013430729 /nfs/dbraw/zinc/43/07/29/1013430729.db2.gz YNMJQBMZUOIVMG-UHFFFAOYSA-N 1 0 356.466 2.518 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000588408007 963723646 /nfs/dbraw/zinc/72/36/46/963723646.db2.gz RCNJDPNJPFSSPJ-LECLMCCNSA-N 1 0 352.434 2.892 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000891392601 963816121 /nfs/dbraw/zinc/81/61/21/963816121.db2.gz XJIWLHBYMIIYCI-GDBMZVCRSA-N 1 0 372.435 2.811 20 10 FFCDRO C[C@@H](NC(=O)N(C)CCCCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000891440457 964062576 /nfs/dbraw/zinc/06/25/76/964062576.db2.gz HIMQICCZONFMLK-QGZVFWFLSA-N 1 0 362.518 2.745 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000891489943 964382299 /nfs/dbraw/zinc/38/22/99/964382299.db2.gz YCWRIKXWTFJLAU-UHFFFAOYSA-N 1 0 360.502 2.577 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c2cc(F)ccc2n1C ZINC000894779739 965686791 /nfs/dbraw/zinc/68/67/91/965686791.db2.gz NMORDQRUDYEKSH-ZDUSSCGKSA-N 1 0 370.428 2.827 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1C ZINC000728564473 967472909 /nfs/dbraw/zinc/47/29/09/967472909.db2.gz VBQLHSUSWXBPOR-UHFFFAOYSA-N 1 0 373.541 2.918 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1O ZINC000180219598 969516970 /nfs/dbraw/zinc/51/69/70/969516970.db2.gz HEVGTKAOOMXIIQ-ZDUSSCGKSA-N 1 0 362.376 2.964 20 10 FFCDRO C[NH+](C)CCOc1cccc(CNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875058836 1013959473 /nfs/dbraw/zinc/95/94/73/1013959473.db2.gz XZFYZOZBWNKMNM-UHFFFAOYSA-N 1 0 355.438 2.558 20 10 FFCDRO C[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000875158794 1013981716 /nfs/dbraw/zinc/98/17/16/1013981716.db2.gz RWEQHAGAVIGXKV-QGZVFWFLSA-N 1 0 374.529 2.710 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1c1ccc(O)cc1 ZINC000895401039 970589117 /nfs/dbraw/zinc/58/91/17/970589117.db2.gz RFTFLOLOQJCTMY-ZWKOTPCHSA-N 1 0 371.433 2.803 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCn4nc(C5CC5)cc4C3)cc2)CC1 ZINC000896940195 973063318 /nfs/dbraw/zinc/06/33/18/973063318.db2.gz XGQNEIUEDXNIHT-UHFFFAOYSA-N 1 0 351.498 2.528 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3Nc4cc(F)c(F)cc4C(=O)N3)cc2)CC1 ZINC000840832412 973408421 /nfs/dbraw/zinc/40/84/21/973408421.db2.gz XTIQXHFCUDOPQS-GOSISDBHSA-N 1 0 358.392 2.571 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ncccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000125546315 974761538 /nfs/dbraw/zinc/76/15/38/974761538.db2.gz YTXNFBRNOMDAOR-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000652557394 975238987 /nfs/dbraw/zinc/23/89/87/975238987.db2.gz CHQFGIKKQJCLIQ-HZPDHXFCSA-N 1 0 367.493 2.597 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000760553978 975475059 /nfs/dbraw/zinc/47/50/59/975475059.db2.gz XCJHXFPBJKFQQV-OAHLLOKOSA-N 1 0 361.486 2.734 20 10 FFCDRO COc1ccc2c(c1)CC[C@H]2C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506219 1014288201 /nfs/dbraw/zinc/28/82/01/1014288201.db2.gz HLAMITVTOQRAAD-UXHICEINSA-N 1 0 353.466 2.607 20 10 FFCDRO COc1cccc(C(C)(C)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876507174 1014288207 /nfs/dbraw/zinc/28/82/07/1014288207.db2.gz XFLKZDSJEHHYFX-IBGZPJMESA-N 1 0 355.482 2.855 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000898447038 976469269 /nfs/dbraw/zinc/46/92/69/976469269.db2.gz FGPMIZMNLQBJRP-FQEVSTJZSA-N 1 0 370.497 2.717 20 10 FFCDRO CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000899097663 976906787 /nfs/dbraw/zinc/90/67/87/976906787.db2.gz DWHDVOVVDGCOAN-MOPGFXCFSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC(CC(F)(F)F)C2)[NH+](C)C)cc1 ZINC000899102519 976912250 /nfs/dbraw/zinc/91/22/50/976912250.db2.gz QEKWFNATUGTUGP-INIZCTEOSA-N 1 0 372.435 2.949 20 10 FFCDRO Cc1cccc(CN(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000899098782 976922198 /nfs/dbraw/zinc/92/21/98/976922198.db2.gz RVPOLHPVPQHPHY-HXUWFJFHSA-N 1 0 369.513 2.900 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCCOC3)[NH+](C)C)cc1 ZINC000899098054 976922753 /nfs/dbraw/zinc/92/27/53/976922753.db2.gz LAIZWIONDILTRF-TZIWHRDSSA-N 1 0 374.529 2.567 20 10 FFCDRO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876727711 1014367212 /nfs/dbraw/zinc/36/72/12/1014367212.db2.gz ADPDWQWUGOMDSF-LAUBAEHRSA-N 1 0 367.493 2.836 20 10 FFCDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876739869 1014372804 /nfs/dbraw/zinc/37/28/04/1014372804.db2.gz ACXPRBIAYYEIFV-JOCHJYFZSA-N 1 0 352.478 2.739 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876905151 1014415279 /nfs/dbraw/zinc/41/52/79/1014415279.db2.gz DJGCWPOEQYVDOP-UHFFFAOYSA-N 1 0 355.442 2.814 20 10 FFCDRO CN(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)OC(C)(C)C ZINC000876996534 1014445235 /nfs/dbraw/zinc/44/52/35/1014445235.db2.gz YRKSAIXPWGQDNM-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1O ZINC000894158091 978009312 /nfs/dbraw/zinc/00/93/12/978009312.db2.gz NEQFWOXCZMHIOE-LJQANCHMSA-N 1 0 356.466 2.872 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000877034376 1014456256 /nfs/dbraw/zinc/45/62/56/1014456256.db2.gz GTFFRAMZJFNOLX-BTYIYWSLSA-N 1 0 358.457 2.999 20 10 FFCDRO COC(=O)c1c(CNCc2cccnc2N(C)C)c2cc(F)ccc2n1C ZINC000894175276 978112864 /nfs/dbraw/zinc/11/28/64/978112864.db2.gz FHJZJKRCYAQPAB-UHFFFAOYSA-N 1 0 370.428 2.855 20 10 FFCDRO CO[C@H](C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000877072195 1014469368 /nfs/dbraw/zinc/46/93/68/1014469368.db2.gz XZEXWVSGJHIERE-RVKKMQEKSA-N 1 0 370.440 2.898 20 10 FFCDRO COC[C@]1(CNCc2ccc(OCc3ccccc3)cc2O)CCC[NH2+]1 ZINC000841067939 979164545 /nfs/dbraw/zinc/16/45/45/979164545.db2.gz QUAQLOGAQORFKZ-OAQYLSRUSA-N 1 0 356.466 2.829 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001272003652 979546222 /nfs/dbraw/zinc/54/62/22/979546222.db2.gz ZRZJMHKWHHOWJZ-FQEVSTJZSA-N 1 0 355.438 2.554 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc4c[nH]nc4c3)cc2)CC1 ZINC000877508375 1014605718 /nfs/dbraw/zinc/60/57/18/1014605718.db2.gz XUKPOYYSMDULFJ-UHFFFAOYSA-N 1 0 350.466 2.856 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)cc2)CC1 ZINC000877516681 1014609220 /nfs/dbraw/zinc/60/92/20/1014609220.db2.gz CTYUGSGHGJPICO-GOSISDBHSA-N 1 0 372.431 2.927 20 10 FFCDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877584574 1014634521 /nfs/dbraw/zinc/63/45/21/1014634521.db2.gz HLNPNFORYRDARD-IBGZPJMESA-N 1 0 370.493 2.522 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)Nc3ccccc3C[NH3+])CC2)cc1 ZINC000904659571 980322390 /nfs/dbraw/zinc/32/23/90/980322390.db2.gz LWOXCKPIMJEDBM-UHFFFAOYSA-N 1 0 354.454 2.898 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[C@@H](O)c1ccccc1 ZINC000905051386 980372113 /nfs/dbraw/zinc/37/21/13/980372113.db2.gz CGCRQYHFZSEABA-NHCUHLMSSA-N 1 0 372.534 2.814 20 10 FFCDRO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1Cn1cccn1 ZINC000877647974 1014660358 /nfs/dbraw/zinc/66/03/58/1014660358.db2.gz KFCRXTVBWMFVLA-NRFANRHFSA-N 1 0 367.449 2.643 20 10 FFCDRO CC(C)(C)OC(=O)N(CCO)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000877676696 1014671197 /nfs/dbraw/zinc/67/11/97/1014671197.db2.gz BYURNGOBJVRILY-UHFFFAOYSA-N 1 0 368.449 2.725 20 10 FFCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000897473789 981203438 /nfs/dbraw/zinc/20/34/38/981203438.db2.gz FRZMDWKFVNKZTI-FUHWJXTLSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237365789 981517463 /nfs/dbraw/zinc/51/74/63/981517463.db2.gz VEAPWUSHNVGASC-ZIFCJYIRSA-N 1 0 359.514 2.726 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000877984258 1014797993 /nfs/dbraw/zinc/79/79/93/1014797993.db2.gz DZMFMRRWFIKOIE-HXUWFJFHSA-N 1 0 360.498 2.936 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)cc1 ZINC000911277818 982186712 /nfs/dbraw/zinc/18/67/12/982186712.db2.gz XJZURJSXNACOHJ-IMFGXOCKSA-N 1 0 357.498 2.655 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)CCOCC1 ZINC000897740504 982507201 /nfs/dbraw/zinc/50/72/01/982507201.db2.gz AOMWZSUOTNEZDK-CYBMUJFWSA-N 1 0 370.440 2.869 20 10 FFCDRO O=C(NC[C@H]1C[NH2+]CCCO1)N(Cc1ccccc1O)C1CCCCC1 ZINC000842009419 982562850 /nfs/dbraw/zinc/56/28/50/982562850.db2.gz ATUANQSCNTTZCJ-GOSISDBHSA-N 1 0 361.486 2.615 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@]3(c4cnn(C)c4)CCCO3)CC2)cc1 ZINC000898057760 982603602 /nfs/dbraw/zinc/60/36/02/982603602.db2.gz WYYNEGQFRDJNOT-NRFANRHFSA-N 1 0 370.497 2.693 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000898101110 982623808 /nfs/dbraw/zinc/62/38/08/982623808.db2.gz IYWBINCRHFZYTM-MQMHXKEQSA-N 1 0 366.458 2.802 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)C[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000878357377 1015001830 /nfs/dbraw/zinc/00/18/30/1015001830.db2.gz BGGQDLWFCNQMOR-HSQYWUDLSA-N 1 0 370.493 2.658 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000157060008 984453072 /nfs/dbraw/zinc/45/30/72/984453072.db2.gz WNZOEKOYKBXFNA-HNNXBMFYSA-N 1 0 367.449 2.978 20 10 FFCDRO Fc1ccccc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000157944495 984726789 /nfs/dbraw/zinc/72/67/89/984726789.db2.gz AIXBSCLDKKXCOQ-UHFFFAOYSA-N 1 0 355.457 2.985 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000764811396 984728524 /nfs/dbraw/zinc/72/85/24/984728524.db2.gz SUFLFBDEWNCREC-IBGZPJMESA-N 1 0 356.466 2.694 20 10 FFCDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000158056217 984742715 /nfs/dbraw/zinc/74/27/15/984742715.db2.gz JZBNVHHBVZVTCN-KRWDZBQOSA-N 1 0 362.518 2.566 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000765639134 985259072 /nfs/dbraw/zinc/25/90/72/985259072.db2.gz SXIXKSPWVAJXOK-UHFFFAOYSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000172066882 985453743 /nfs/dbraw/zinc/45/37/43/985453743.db2.gz GHTMJGRBFAKNLK-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)c2c1 ZINC000172934891 985718418 /nfs/dbraw/zinc/71/84/18/985718418.db2.gz PXYZUTNMVMXDCY-INIZCTEOSA-N 1 0 356.466 2.708 20 10 FFCDRO CCO[C@H]1CCCN(Cc2ccc(I)cc2O)C1 ZINC001232978376 986349500 /nfs/dbraw/zinc/34/95/00/986349500.db2.gz FCNGBKAHOZSWHO-ZDUSSCGKSA-N 1 0 361.223 2.998 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC000999423199 986501483 /nfs/dbraw/zinc/50/14/83/986501483.db2.gz TXHDWDHILHOCEP-RCCFBDPRSA-N 1 0 368.481 2.611 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)c1 ZINC000921738190 986873351 /nfs/dbraw/zinc/87/33/51/986873351.db2.gz OOKALEDNFLTBMN-UHFFFAOYSA-N 1 0 374.506 2.528 20 10 FFCDRO CN1C(=O)C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)[C@H]1c1ccncc1 ZINC000922244999 988240713 /nfs/dbraw/zinc/24/07/13/988240713.db2.gz PSBMQZJPUBZLBC-WIYYLYMNSA-N 1 0 351.450 2.716 20 10 FFCDRO Cc1cc(C(=O)N2CCN(CCO)C[C@H]2C)c(C)n1-c1ccccc1C ZINC001299280647 988977754 /nfs/dbraw/zinc/97/77/54/988977754.db2.gz GBQTYXWCOBDMHH-QGZVFWFLSA-N 1 0 355.482 2.541 20 10 FFCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000154036465 989816144 /nfs/dbraw/zinc/81/61/44/989816144.db2.gz UVBPGGDFYOFRBM-QZTJIDSGSA-N 1 0 356.514 2.982 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000916657520 989885224 /nfs/dbraw/zinc/88/52/24/989885224.db2.gz ALYUQUYHNHOQLV-KRWDZBQOSA-N 1 0 371.456 2.895 20 10 FFCDRO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000702227785 989938151 /nfs/dbraw/zinc/93/81/51/989938151.db2.gz NYTGDIACLRJHMI-UXHICEINSA-N 1 0 351.494 2.785 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000917082945 990120990 /nfs/dbraw/zinc/12/09/90/990120990.db2.gz VQPQYMBCWJWQGJ-GQSKFBFOSA-N 1 0 359.426 2.846 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000919080662 990566880 /nfs/dbraw/zinc/56/68/80/990566880.db2.gz DKKXNLBCPPSGNV-FQEVSTJZSA-N 1 0 369.513 2.948 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(C[NH3+])CC2)CCCC1 ZINC000652558086 1015629868 /nfs/dbraw/zinc/62/98/68/1015629868.db2.gz QTCPUMRWMSXCAO-UHFFFAOYSA-N 1 0 355.482 2.726 20 10 FFCDRO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179997252 991397986 /nfs/dbraw/zinc/39/79/86/991397986.db2.gz KRMYMOWJSUYGAJ-UHFFFAOYSA-N 1 0 360.404 2.947 20 10 FFCDRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182414534 992043436 /nfs/dbraw/zinc/04/34/36/992043436.db2.gz VICHYJVOGJUGRO-AWEZNQCLSA-N 1 0 358.438 2.514 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182417349 992044485 /nfs/dbraw/zinc/04/44/85/992044485.db2.gz NJUIAHRZLFZQHJ-GFCCVEGCSA-N 1 0 359.382 2.623 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000182469824 992062559 /nfs/dbraw/zinc/06/25/59/992062559.db2.gz BKNPFPJQCPBHTO-GFCCVEGCSA-N 1 0 359.382 2.988 20 10 FFCDRO Cc1nccc(N2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)n1 ZINC000184102636 992692102 /nfs/dbraw/zinc/69/21/02/992692102.db2.gz LEEJFCYJGVSVFH-UHFFFAOYSA-N 1 0 356.470 2.816 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1O ZINC000185213733 993241029 /nfs/dbraw/zinc/24/10/29/993241029.db2.gz BDNGEXILHVTRQD-OAHLLOKOSA-N 1 0 357.429 2.531 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1C ZINC000809707998 994587895 /nfs/dbraw/zinc/58/78/95/994587895.db2.gz UWKDNWMFGDNJLH-ROUUACIJSA-N 1 0 362.470 2.879 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000809714932 994590596 /nfs/dbraw/zinc/59/05/96/994590596.db2.gz VUVHEAXREOXQBP-KRWDZBQOSA-N 1 0 361.486 2.519 20 10 FFCDRO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(N4CCOCC4)c(F)c1)(C3)C2 ZINC000809781799 994611707 /nfs/dbraw/zinc/61/17/07/994611707.db2.gz AZEPHQYCPCNLJT-AGXSTUJCSA-N 1 0 360.473 2.836 20 10 FFCDRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000903433436 1015888235 /nfs/dbraw/zinc/88/82/35/1015888235.db2.gz WRWOJSYLZZFZQL-HNNXBMFYSA-N 1 0 374.460 2.819 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448592 1015898102 /nfs/dbraw/zinc/89/81/02/1015898102.db2.gz QLVDJJYDGSAUQP-QRWLVFNGSA-N 1 0 370.497 2.888 20 10 FFCDRO CN(C)c1ccc(CN(C)CN2C(=O)C3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811731293 995229265 /nfs/dbraw/zinc/22/92/65/995229265.db2.gz ZUGKLECKFQCVMM-OALUTQOASA-N 1 0 357.498 2.702 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)[C@H](C)COC)cc2F)CC1 ZINC000812501580 995448147 /nfs/dbraw/zinc/44/81/47/995448147.db2.gz DJOBFNDPJHLJFC-CVEARBPZSA-N 1 0 365.493 2.502 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)C3CC3)cc2F)CC1 ZINC000730122220 996879562 /nfs/dbraw/zinc/87/95/62/996879562.db2.gz KIKICSGAINKXSO-OAHLLOKOSA-N 1 0 362.493 2.813 20 10 FFCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824570690 996994678 /nfs/dbraw/zinc/99/46/78/996994678.db2.gz DSLYUVJWULHEKQ-MRXNPFEDSA-N 1 0 360.454 2.863 20 10 FFCDRO OCCN1CCCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824583141 997017183 /nfs/dbraw/zinc/01/71/83/997017183.db2.gz IFNJTDJRDWSYHF-FQEVSTJZSA-N 1 0 370.493 2.908 20 10 FFCDRO CC(C)OCCOC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000825207199 997259356 /nfs/dbraw/zinc/25/93/56/997259356.db2.gz GSDZNCYRBSJBGH-UHFFFAOYSA-N 1 0 362.514 2.929 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000844864739 998181086 /nfs/dbraw/zinc/18/10/86/998181086.db2.gz PHNDYCUOUJRYGX-UHFFFAOYSA-N 1 0 362.518 2.649 20 10 FFCDRO CC[NH+]1CCN(CCNC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000733161943 998903135 /nfs/dbraw/zinc/90/31/35/998903135.db2.gz NMYCNDNGSQLDTR-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC4CC4)[C@H]3C2)cc1 ZINC001085104269 998953415 /nfs/dbraw/zinc/95/34/15/998953415.db2.gz SWHIQFODMKNYRL-PBHICJAKSA-N 1 0 355.442 2.795 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc(C)nn2C)cc1C ZINC001085144990 999021195 /nfs/dbraw/zinc/02/11/95/999021195.db2.gz XZEPWSQLCIYWHK-QZTJIDSGSA-N 1 0 370.497 2.876 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000734285643 999255955 /nfs/dbraw/zinc/25/59/55/999255955.db2.gz QSRIWWJCTSSOPQ-MRXNPFEDSA-N 1 0 355.438 2.934 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@H]1C ZINC000766254002 999672207 /nfs/dbraw/zinc/67/22/07/999672207.db2.gz ZDZNESKYGMIHBN-SJORKVTESA-N 1 0 374.529 2.788 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H](C)C[C@@H]3C)cc2F)CC1 ZINC000741087495 999706843 /nfs/dbraw/zinc/70/68/43/999706843.db2.gz YLGXYXYGGSNPEA-CVEARBPZSA-N 1 0 362.493 2.908 20 10 FFCDRO CCOc1ccc(C[NH2+]CCCN2C(=O)COc3ccccc32)c(O)c1 ZINC000742375941 999772591 /nfs/dbraw/zinc/77/25/91/999772591.db2.gz YEKBBGLTTNNSEW-UHFFFAOYSA-N 1 0 356.422 2.696 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)NCCC(C)(C)C)CC2)cc1 ZINC000742940003 999792961 /nfs/dbraw/zinc/79/29/61/999792961.db2.gz OOCLJNURZAZVCQ-UHFFFAOYSA-N 1 0 362.518 2.553 20 10 FFCDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000768197284 1000194842 /nfs/dbraw/zinc/19/48/42/1000194842.db2.gz HEYLYLHXPVLDEQ-AEFFLSMTSA-N 1 0 352.482 2.943 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)c1O ZINC000846153073 1000210416 /nfs/dbraw/zinc/21/04/16/1000210416.db2.gz FJJRGELNMVYLDS-HIFRSBDPSA-N 1 0 356.422 2.866 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1O ZINC000846156838 1000211172 /nfs/dbraw/zinc/21/11/72/1000211172.db2.gz YKKFHJQLGRUEGK-CQSZACIVSA-N 1 0 356.422 2.867 20 10 FFCDRO Cc1ncc2n1C[C@@H](C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)CC2 ZINC000846259944 1000247429 /nfs/dbraw/zinc/24/74/29/1000247429.db2.gz CJVCSYIXGRZXBL-YJBOKZPZSA-N 1 0 354.498 2.876 20 10 FFCDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768443117 1000248867 /nfs/dbraw/zinc/24/88/67/1000248867.db2.gz ZJSCTLNLQYZDNT-IBGZPJMESA-N 1 0 368.433 2.669 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC3(C)C)cc2F)CC1 ZINC000806022195 1000250539 /nfs/dbraw/zinc/25/05/39/1000250539.db2.gz SNNYIRANNMYSII-GOSISDBHSA-N 1 0 362.493 2.955 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464613 1000263266 /nfs/dbraw/zinc/26/32/66/1000263266.db2.gz DAKSWYGDSPGFPN-ZOCZFRKYSA-N 1 0 368.477 2.913 20 10 FFCDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1cc(Cl)ccc1O ZINC000846477962 1000324755 /nfs/dbraw/zinc/32/47/55/1000324755.db2.gz YDXADSUPGGUOQM-UHFFFAOYSA-N 1 0 373.884 2.874 20 10 FFCDRO CC[C@]1(C)CCC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000743860831 1000372048 /nfs/dbraw/zinc/37/20/48/1000372048.db2.gz WPKWSWITCHUDMU-OAQYLSRUSA-N 1 0 359.514 2.856 20 10 FFCDRO C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](N)CC[NH+](C)C ZINC000846677067 1000406124 /nfs/dbraw/zinc/40/61/24/1000406124.db2.gz MUVOGGPYJNTIGM-QFBILLFUSA-N 1 0 355.482 2.761 20 10 FFCDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(O)c1 ZINC000846950955 1000495720 /nfs/dbraw/zinc/49/57/20/1000495720.db2.gz SCAWDWZKMTUBRS-LJQANCHMSA-N 1 0 368.477 2.972 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769516091 1000538608 /nfs/dbraw/zinc/53/86/08/1000538608.db2.gz OETKEXUVIHIZAR-GDBMZVCRSA-N 1 0 361.442 2.826 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000770325423 1000748065 /nfs/dbraw/zinc/74/80/65/1000748065.db2.gz NYEQWEPDESSIKI-UHFFFAOYSA-N 1 0 373.476 2.793 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC001147838281 1000986815 /nfs/dbraw/zinc/98/68/15/1000986815.db2.gz UNPFXSJSIVSQOU-PZJWPPBQSA-N 1 0 373.541 2.632 20 10 FFCDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148590776 1001176435 /nfs/dbraw/zinc/17/64/35/1001176435.db2.gz PMEAFIFKDZUKHG-SFHVURJKSA-N 1 0 370.449 2.834 20 10 FFCDRO C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccc(N2CCOCC2)cc1 ZINC000785956223 1001508016 /nfs/dbraw/zinc/50/80/16/1001508016.db2.gz OWKDRXLYDGYHHC-OAHLLOKOSA-N 1 0 350.422 2.662 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000786174990 1001553944 /nfs/dbraw/zinc/55/39/44/1001553944.db2.gz PLHUJOYZGWHWCQ-UHFFFAOYSA-N 1 0 354.498 2.856 20 10 FFCDRO COc1cc(C)c(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001183370850 1002260282 /nfs/dbraw/zinc/26/02/82/1002260282.db2.gz LGVOSOBKNGLPAS-UHFFFAOYSA-N 1 0 364.486 2.605 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000774686130 1002406768 /nfs/dbraw/zinc/40/67/68/1002406768.db2.gz GTUYWBJIVDTHDS-HOTGVXAUSA-N 1 0 365.470 2.938 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000791003269 1002540723 /nfs/dbraw/zinc/54/07/23/1002540723.db2.gz XFQMRGZDRLLLMS-GOSISDBHSA-N 1 0 358.413 2.821 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000792792955 1003181094 /nfs/dbraw/zinc/18/10/94/1003181094.db2.gz OIROORYHQNLRGI-HNNXBMFYSA-N 1 0 369.465 2.647 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000792805320 1003189740 /nfs/dbraw/zinc/18/97/40/1003189740.db2.gz FLEYCGPNTIOCLP-MSOLQXFVSA-N 1 0 371.447 2.802 20 10 FFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001203645725 1003423870 /nfs/dbraw/zinc/42/38/70/1003423870.db2.gz NPGCGJPNNKNEMK-WDMOLILDSA-N 1 0 354.244 2.928 20 10 FFCDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000775677744 1003633880 /nfs/dbraw/zinc/63/38/80/1003633880.db2.gz IKPBESYWODRIJB-YLJYHZDGSA-N 1 0 359.514 2.902 20 10 FFCDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC001196198283 1003699882 /nfs/dbraw/zinc/69/98/82/1003699882.db2.gz JDZPHZOPJGDEMP-NRFANRHFSA-N 1 0 373.541 2.598 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)cc2=O ZINC000775710252 1003744953 /nfs/dbraw/zinc/74/49/53/1003744953.db2.gz VWABDMIWSLCAJX-IUODEOHRSA-N 1 0 360.458 2.916 20 10 FFCDRO COCCOc1ccccc1N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000775726624 1003860035 /nfs/dbraw/zinc/86/00/35/1003860035.db2.gz VWGXOVBJWYXVKI-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000102577703 1003905540 /nfs/dbraw/zinc/90/55/40/1003905540.db2.gz KFKXAPKDPVQUKV-UHFFFAOYSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC001197003485 1004039948 /nfs/dbraw/zinc/03/99/48/1004039948.db2.gz IHDKRWAXSOTQCN-LBPRGKRZSA-N 1 0 359.382 2.988 20 10 FFCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806634164 1004380956 /nfs/dbraw/zinc/38/09/56/1004380956.db2.gz FQCOAWWPCJGUPY-VQIMIIECSA-N 1 0 356.514 2.837 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnns3)C2)cc1C ZINC001086650942 1004542742 /nfs/dbraw/zinc/54/27/42/1004542742.db2.gz XGNQQUXUUJAEQK-LSDHHAIUSA-N 1 0 360.483 2.543 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C12CCC2 ZINC000776156927 1005201516 /nfs/dbraw/zinc/20/15/16/1005201516.db2.gz OMHCKPBWWIRACP-MISYRCLQSA-N 1 0 371.525 2.826 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000776292395 1005350547 /nfs/dbraw/zinc/35/05/47/1005350547.db2.gz HNWYDOTZCGCZGN-MSOLQXFVSA-N 1 0 359.514 2.760 20 10 FFCDRO COc1ncc(/C=C/C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cn1 ZINC000776311620 1005358953 /nfs/dbraw/zinc/35/89/53/1005358953.db2.gz STVIDQONRMULNP-IJDCCNJMSA-N 1 0 350.422 2.510 20 10 FFCDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)n1C ZINC000850034539 1005780226 /nfs/dbraw/zinc/78/02/26/1005780226.db2.gz NGMUMOWHIDGVBA-UHFFFAOYSA-N 1 0 368.403 2.874 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000850405174 1005813384 /nfs/dbraw/zinc/81/33/84/1005813384.db2.gz JCMRUMAHUWODET-UHFFFAOYSA-N 1 0 354.450 2.709 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)CC1 ZINC000850405766 1005813846 /nfs/dbraw/zinc/81/38/46/1005813846.db2.gz CSXHMNFYJGEZRQ-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000850425426 1005814925 /nfs/dbraw/zinc/81/49/25/1005814925.db2.gz MFYHXPOLQBGTGA-PGYGNJIDSA-N 1 0 359.514 2.826 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850509826 1005819553 /nfs/dbraw/zinc/81/95/53/1005819553.db2.gz SYEPSLXWVWNSKY-JXFKEZNVSA-N 1 0 366.477 2.635 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000851642144 1005902132 /nfs/dbraw/zinc/90/21/32/1005902132.db2.gz SVXFNGPVXMDKEC-FQEVSTJZSA-N 1 0 353.466 2.824 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851656046 1005903478 /nfs/dbraw/zinc/90/34/78/1005903478.db2.gz CRDVJXOSDFRFLP-LJQANCHMSA-N 1 0 358.530 2.982 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1ccc(N2CCOCC2)cc1 ZINC000851898640 1005921324 /nfs/dbraw/zinc/92/13/24/1005921324.db2.gz WNNBGVQMNWEHLE-MFHCWRBVSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)cc1 ZINC000776574190 1005953296 /nfs/dbraw/zinc/95/32/96/1005953296.db2.gz DWHUZOXAQUPDFJ-UHFFFAOYSA-N 1 0 354.450 2.951 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)CC2)cc1 ZINC000852413081 1006012768 /nfs/dbraw/zinc/01/27/68/1006012768.db2.gz OEFUDWIARCYJMW-GOSISDBHSA-N 1 0 374.529 2.836 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N[C@H]1C=CCC1 ZINC000852512702 1006061544 /nfs/dbraw/zinc/06/15/44/1006061544.db2.gz ZXGHFLYZWNTDNU-IBGZPJMESA-N 1 0 354.498 2.736 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000852707725 1006154776 /nfs/dbraw/zinc/15/47/76/1006154776.db2.gz JOPVGQPKPKNCQC-AWEZNQCLSA-N 1 0 361.486 2.883 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nc(N2CCCC2)n1 ZINC000814178612 1006172834 /nfs/dbraw/zinc/17/28/34/1006172834.db2.gz XDADADHMEAUXDG-UHFFFAOYSA-N 1 0 367.497 2.512 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC000852791802 1006185738 /nfs/dbraw/zinc/18/57/38/1006185738.db2.gz MSKHEHSLZSPJIS-FQEVSTJZSA-N 1 0 352.482 2.783 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000827071706 1017031822 /nfs/dbraw/zinc/03/18/22/1017031822.db2.gz CNWLUECVVWUEDS-INIZCTEOSA-N 1 0 361.486 2.621 20 10 FFCDRO COCc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850271 1006242335 /nfs/dbraw/zinc/24/23/35/1006242335.db2.gz PHJWGAMRLWUWEM-UHFFFAOYSA-N 1 0 353.466 2.515 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000111394090 1006426566 /nfs/dbraw/zinc/42/65/66/1006426566.db2.gz QFUKSCKYEXKHLO-UHFFFAOYSA-N 1 0 368.433 2.957 20 10 FFCDRO O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000111394320 1006427707 /nfs/dbraw/zinc/42/77/07/1006427707.db2.gz LGHUTXKDXBXAGD-UHFFFAOYSA-N 1 0 350.418 2.788 20 10 FFCDRO Cc1cccc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn21 ZINC001134681675 1006443523 /nfs/dbraw/zinc/44/35/23/1006443523.db2.gz COGQKXJAHNMOPG-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2OCCc3ccccc32)[NH+](C)C)cc1 ZINC001134682084 1006444004 /nfs/dbraw/zinc/44/40/04/1006444004.db2.gz UOFANVRMTCKRRV-LEWJYISDSA-N 1 0 367.493 2.786 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000815022722 1006493916 /nfs/dbraw/zinc/49/39/16/1006493916.db2.gz XFTOSVDPNRGWBT-HXUWFJFHSA-N 1 0 358.457 2.950 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)ccc1OC ZINC000815167273 1006541119 /nfs/dbraw/zinc/54/11/19/1006541119.db2.gz XHSGLJJGBDMQHR-YZGWKJHDSA-N 1 0 359.470 2.937 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnc(-n4ccnc4)c3)cc2)CC1 ZINC000882933911 1006567167 /nfs/dbraw/zinc/56/71/67/1006567167.db2.gz SAARJHDHWWVYDN-UHFFFAOYSA-N 1 0 363.465 2.518 20 10 FFCDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000883278587 1006727084 /nfs/dbraw/zinc/72/70/84/1006727084.db2.gz VIDZMPOQTYLGPB-DOTOQJQBSA-N 1 0 362.445 2.757 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C ZINC000854299234 1006764367 /nfs/dbraw/zinc/76/43/67/1006764367.db2.gz GXIAFHIBDBGFCU-LMMKCTJWSA-N 1 0 374.529 2.788 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000854300455 1006765866 /nfs/dbraw/zinc/76/58/66/1006765866.db2.gz SYZUWBBBIKBJEQ-MSOLQXFVSA-N 1 0 374.529 2.790 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)CC(F)F)cc2)CC1 ZINC000883887988 1007061182 /nfs/dbraw/zinc/06/11/82/1007061182.db2.gz WRUWHKIXUPHZBY-UHFFFAOYSA-N 1 0 368.472 2.919 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccnnc3C)C2)cc1C ZINC001086746706 1007086216 /nfs/dbraw/zinc/08/62/16/1007086216.db2.gz MRQDNGJSZCDWHI-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@@H](C)C3(OC)CCOCC3)cc2)CC1 ZINC000817296975 1007528964 /nfs/dbraw/zinc/52/89/64/1007528964.db2.gz MRXCBQYWRHXICD-KRWDZBQOSA-N 1 0 362.514 2.976 20 10 FFCDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000817365218 1007581455 /nfs/dbraw/zinc/58/14/55/1007581455.db2.gz SFWQLRRZKITVFT-IGCXYCKISA-N 1 0 363.454 2.760 20 10 FFCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000817865383 1007789537 /nfs/dbraw/zinc/78/95/37/1007789537.db2.gz PYSCRPGQQPZBSL-WMZOPIPTSA-N 1 0 359.514 2.527 20 10 FFCDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2ccccc2C1 ZINC000817942802 1007820696 /nfs/dbraw/zinc/82/06/96/1007820696.db2.gz RANRCGWWKVFFPH-YADHBBJMSA-N 1 0 366.509 2.836 20 10 FFCDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c2ccccc2C1 ZINC000817942798 1007821366 /nfs/dbraw/zinc/82/13/66/1007821366.db2.gz RANRCGWWKVFFPH-FGZHOGPDSA-N 1 0 366.509 2.836 20 10 FFCDRO COc1ccc([C@H](CCn2cncn2)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817956945 1007824770 /nfs/dbraw/zinc/82/47/70/1007824770.db2.gz GHFFTROQKBOFKK-FQEVSTJZSA-N 1 0 351.454 2.833 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817993300 1007840970 /nfs/dbraw/zinc/84/09/70/1007840970.db2.gz DWDDJOSGYLMBOH-LJQANCHMSA-N 1 0 355.486 2.536 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000818049058 1007868188 /nfs/dbraw/zinc/86/81/88/1007868188.db2.gz VBLIJTVNGGTXDW-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccc(C[NH3+])cc3)C2)cc1 ZINC000818635577 1007956959 /nfs/dbraw/zinc/95/69/59/1007956959.db2.gz MZCOOMISOURIBR-INIZCTEOSA-N 1 0 354.454 2.802 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)cc1 ZINC000818638290 1007958219 /nfs/dbraw/zinc/95/82/19/1007958219.db2.gz UEJJORDICDRPQC-UHFFFAOYSA-N 1 0 368.481 2.555 20 10 FFCDRO Cn1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(Cl)n1 ZINC000856776497 1007973658 /nfs/dbraw/zinc/97/36/58/1007973658.db2.gz TZABKYZNEPLMEF-UHFFFAOYSA-N 1 0 373.932 2.895 20 10 FFCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000818967871 1008010267 /nfs/dbraw/zinc/01/02/67/1008010267.db2.gz DMHNGVBJEJLSDB-CTNGQTDRSA-N 1 0 367.493 2.520 20 10 FFCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968329 1008011458 /nfs/dbraw/zinc/01/14/58/1008011458.db2.gz RAOBPWYDSXBOTM-GHTZIAJQSA-N 1 0 367.493 2.520 20 10 FFCDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818972127 1008012727 /nfs/dbraw/zinc/01/27/27/1008012727.db2.gz DROLXKRSLYWQJU-OAQYLSRUSA-N 1 0 370.493 2.670 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094880 1008032423 /nfs/dbraw/zinc/03/24/23/1008032423.db2.gz OYCLRPPDHZPGEX-OAQYLSRUSA-N 1 0 368.477 2.739 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3ccccc3C)CC2)cc1 ZINC000819393701 1008113892 /nfs/dbraw/zinc/11/38/92/1008113892.db2.gz GBSMDZLSGCUPTE-IBGZPJMESA-N 1 0 355.482 2.599 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3ccc(F)cc3C)CC2)cc1 ZINC000819394560 1008114849 /nfs/dbraw/zinc/11/48/49/1008114849.db2.gz ZNGVQZCAMWXBMQ-LJQANCHMSA-N 1 0 373.472 2.738 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3C)CC2)cc1 ZINC000011853382 1008180443 /nfs/dbraw/zinc/18/04/43/1008180443.db2.gz ZHYSQJPSAKRZRD-UHFFFAOYSA-N 1 0 367.493 2.946 20 10 FFCDRO Oc1cc2c(cc1CN1C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C1)[C@H](O)CO2 ZINC000819897567 1008244281 /nfs/dbraw/zinc/24/42/81/1008244281.db2.gz RMLJZIHVVBTNFC-LDQXTDLNSA-N 1 0 366.461 2.524 20 10 FFCDRO Oc1cc2c(cc1CN1C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C1)[C@@H](O)CO2 ZINC000819897569 1008245228 /nfs/dbraw/zinc/24/52/28/1008245228.db2.gz RMLJZIHVVBTNFC-SCWSEQNSSA-N 1 0 366.461 2.524 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1F ZINC000858178668 1008318591 /nfs/dbraw/zinc/31/85/91/1008318591.db2.gz ZZJNARVPUMPPPU-KRWDZBQOSA-N 1 0 370.440 2.536 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cc1 ZINC000858306723 1008342701 /nfs/dbraw/zinc/34/27/01/1008342701.db2.gz PSCLYFGUGQTCJE-BNOLWBGWSA-N 1 0 366.509 2.651 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCc4scnc43)CC2)cc1 ZINC000858358171 1008349905 /nfs/dbraw/zinc/34/99/05/1008349905.db2.gz AKVPOVSNDQZMGW-GOSISDBHSA-N 1 0 372.538 2.941 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(N(C)C)cc1 ZINC000858488226 1008367703 /nfs/dbraw/zinc/36/77/03/1008367703.db2.gz CXJWHNVCXWNFPI-SJLPKXTDSA-N 1 0 365.485 2.510 20 10 FFCDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000858677089 1008401800 /nfs/dbraw/zinc/40/18/00/1008401800.db2.gz BVXMXDBXSQCCSM-QGZVFWFLSA-N 1 0 353.466 2.978 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000859059423 1008471083 /nfs/dbraw/zinc/47/10/83/1008471083.db2.gz FYQJUVNBBLKCHH-OAQYLSRUSA-N 1 0 371.525 2.889 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000859361258 1008506626 /nfs/dbraw/zinc/50/66/26/1008506626.db2.gz FNQBWCGKOKXTJB-FQEVSTJZSA-N 1 0 353.466 2.660 20 10 FFCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177830548 1008761197 /nfs/dbraw/zinc/76/11/97/1008761197.db2.gz XRKVVYBIATXJCB-UWJYYQICSA-N 1 0 371.500 2.832 20 10 FFCDRO CCOC1CCC([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000886751451 1008860048 /nfs/dbraw/zinc/86/00/48/1008860048.db2.gz QWXQCUBLLHOROJ-UHFFFAOYSA-N 1 0 359.514 2.826 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1CCc3c1cccc3F)cc2=O ZINC000886923249 1008939157 /nfs/dbraw/zinc/93/91/57/1008939157.db2.gz RYMOQEDOMMKSOI-INIZCTEOSA-N 1 0 370.384 2.528 20 10 FFCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001179117138 1009265870 /nfs/dbraw/zinc/26/58/70/1009265870.db2.gz YEZYYMWASKGQOI-WMZOPIPTSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1nccnc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000823956108 1009277599 /nfs/dbraw/zinc/27/75/99/1009277599.db2.gz QIEIVDXVALQAAR-ZDUSSCGKSA-N 1 0 364.396 2.845 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001179712396 1009419194 /nfs/dbraw/zinc/41/91/94/1009419194.db2.gz GQMRPMLFKQDZLZ-OAQYLSRUSA-N 1 0 373.497 2.948 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)N2CCN(CCc3ccccn3)CC2)cc1 ZINC001180125721 1009570336 /nfs/dbraw/zinc/57/03/36/1009570336.db2.gz NQNFFSCTCOUMAU-DHZHZOJOSA-N 1 0 364.493 2.548 20 10 FFCDRO CCN(C)c1ccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773848970 1009630702 /nfs/dbraw/zinc/63/07/02/1009630702.db2.gz QUUMZHMZCOGZJS-SFHVURJKSA-N 1 0 363.502 2.868 20 10 FFCDRO CCOC(=O)c1cccc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)n1 ZINC000862403139 1009830260 /nfs/dbraw/zinc/83/02/60/1009830260.db2.gz MTXLPOJVPPYLGY-UHFFFAOYSA-N 1 0 357.454 2.835 20 10 FFCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000862468710 1009851889 /nfs/dbraw/zinc/85/18/89/1009851889.db2.gz MFBLAWIKZFZPLF-UHFFFAOYSA-N 1 0 363.502 2.870 20 10 FFCDRO CC[NH+]1CCN(CC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000863161743 1010119338 /nfs/dbraw/zinc/11/93/38/1010119338.db2.gz IYPPPAPTQQGOND-UHFFFAOYSA-N 1 0 368.525 2.656 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CC[C@H]3CC=CCC3)CC2)cc1 ZINC000863578604 1010262528 /nfs/dbraw/zinc/26/25/28/1010262528.db2.gz PWHFEHPVBOEGED-FPOVZHCZSA-N 1 0 373.541 2.514 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3=COCCC3)C[C@H]2C)cc1C ZINC001093671992 1010454234 /nfs/dbraw/zinc/45/42/34/1010454234.db2.gz UEXIUTMEZGBXMW-VQIMIIECSA-N 1 0 358.482 2.882 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CC(=O)[O-])C3CCCC3)cc2)CC1 ZINC000864523169 1010492444 /nfs/dbraw/zinc/49/24/44/1010492444.db2.gz GXIVQIDYGUBBRI-LJQANCHMSA-N 1 0 359.514 2.809 20 10 FFCDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865715230 1010848545 /nfs/dbraw/zinc/84/85/45/1010848545.db2.gz MGGYQKRFROZSRT-NRFANRHFSA-N 1 0 358.457 2.746 20 10 FFCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccn1 ZINC000866266421 1010965895 /nfs/dbraw/zinc/96/58/95/1010965895.db2.gz IFHAFULPUAFXEQ-HXUWFJFHSA-N 1 0 373.522 2.803 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1O ZINC000866521233 1011008433 /nfs/dbraw/zinc/00/84/33/1011008433.db2.gz ITTZXHAFHKSBDJ-QGZVFWFLSA-N 1 0 353.422 2.685 20 10 FFCDRO COc1cccc(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1O ZINC000121735721 1011079226 /nfs/dbraw/zinc/07/92/26/1011079226.db2.gz RRDOWPAUFNNVSE-UHFFFAOYSA-N 1 0 356.470 2.945 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[N@@H+]1C1CC1 ZINC000121952713 1011133664 /nfs/dbraw/zinc/13/36/64/1011133664.db2.gz FWSRABBEAHCLGT-RDJZCZTQSA-N 1 0 374.554 2.664 20 10 FFCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000122112050 1011244283 /nfs/dbraw/zinc/24/42/83/1011244283.db2.gz UKRDTNHNOVVLMD-CQSZACIVSA-N 1 0 368.403 2.917 20 10 FFCDRO COCCN(C)CC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796277409 1011619082 /nfs/dbraw/zinc/61/90/82/1011619082.db2.gz HUIYSWMWYDIZHZ-UHFFFAOYSA-N 1 0 353.510 2.917 20 10 FFCDRO COCCC[NH+]1CCC2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001276320729 1011630930 /nfs/dbraw/zinc/63/09/30/1011630930.db2.gz WZEHXKQNJYEVPT-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001275072072 1011885159 /nfs/dbraw/zinc/88/51/59/1011885159.db2.gz AUJHWHNSTIGUHH-UWJYYQICSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1O ZINC001275279613 1012192053 /nfs/dbraw/zinc/19/20/53/1012192053.db2.gz JZFNNXZWCVUOPH-CHWSQXEVSA-N 1 0 358.360 2.534 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)c1F ZINC001173191603 1012332986 /nfs/dbraw/zinc/33/29/86/1012332986.db2.gz NDEHCALFCWZWJM-SNVBAGLBSA-N 1 0 350.346 2.875 20 10 FFCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796362812 1012349445 /nfs/dbraw/zinc/34/94/45/1012349445.db2.gz LVVIATFGICZWMJ-HTAPYJJXSA-N 1 0 352.478 2.879 20 10 FFCDRO [NH3+][C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000870896764 1012623653 /nfs/dbraw/zinc/62/36/53/1012623653.db2.gz NSBUDPPMSBXENF-KKUMJFAQSA-N 1 0 367.440 2.891 20 10 FFCDRO COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)cc2)C1=O ZINC001275597455 1012665047 /nfs/dbraw/zinc/66/50/47/1012665047.db2.gz HKTPRBCAXIOEPZ-OAQYLSRUSA-N 1 0 359.514 2.745 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cnoc2)cc1 ZINC001275599010 1012670348 /nfs/dbraw/zinc/67/03/48/1012670348.db2.gz WOESCBBUKKDRQK-RTBURBONSA-N 1 0 354.454 2.506 20 10 FFCDRO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1ccc(O)cc1O ZINC001275671981 1012822422 /nfs/dbraw/zinc/82/24/22/1012822422.db2.gz MPYCPCHCNFFOKF-MRXNPFEDSA-N 1 0 358.360 2.617 20 10 FFCDRO O=C1N(CC(F)F)CC[C@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275675971 1012824236 /nfs/dbraw/zinc/82/42/36/1012824236.db2.gz LQIXWZXKPOTKBD-FQEVSTJZSA-N 1 0 363.452 2.976 20 10 FFCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359568 1032678755 /nfs/dbraw/zinc/67/87/55/1032678755.db2.gz YJHRIBLHOLFAQU-DLBZAZTESA-N 1 0 367.440 2.761 20 10 FFCDRO [NH3+]Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000828359512 1032678807 /nfs/dbraw/zinc/67/88/07/1032678807.db2.gz WWAUOCMTXSTNNT-UHFFFAOYSA-N 1 0 365.380 2.739 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000924710584 1017437198 /nfs/dbraw/zinc/43/71/98/1017437198.db2.gz MJCSXOZDWSQMDM-CQSZACIVSA-N 1 0 366.465 2.913 20 10 FFCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000924726185 1017449236 /nfs/dbraw/zinc/44/92/36/1017449236.db2.gz LMCZYGYEYHYANR-WBVHZDCISA-N 1 0 368.481 2.643 20 10 FFCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924726345 1017450547 /nfs/dbraw/zinc/45/05/47/1017450547.db2.gz NDKQMEUTPOMSHH-AEFFLSMTSA-N 1 0 352.482 2.504 20 10 FFCDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827357491 1017777550 /nfs/dbraw/zinc/77/75/50/1017777550.db2.gz SUTYFPSSHBBKQE-WMZOPIPTSA-N 1 0 363.477 2.576 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(O)(C(F)F)CC2)c1O ZINC000777569438 1017811345 /nfs/dbraw/zinc/81/13/45/1017811345.db2.gz HZPIKJPXIZLFAX-UHFFFAOYSA-N 1 0 365.376 2.924 20 10 FFCDRO CCCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000827194596 1017893394 /nfs/dbraw/zinc/89/33/94/1017893394.db2.gz NYYOGUBRLNFAPF-IEBWSBKVSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)cc1 ZINC000827458472 1018117270 /nfs/dbraw/zinc/11/72/70/1018117270.db2.gz DMHCLZNFLLBSDJ-FQEVSTJZSA-N 1 0 371.456 2.616 20 10 FFCDRO C[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725338 1018628873 /nfs/dbraw/zinc/62/88/73/1018628873.db2.gz DXXHBMKGSLZJFC-FFZOFVMBSA-N 1 0 359.514 2.998 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c1 ZINC000828667510 1032794463 /nfs/dbraw/zinc/79/44/63/1032794463.db2.gz RQWIHMDUGUEKKL-SJCJKPOMSA-N 1 0 353.422 2.629 20 10 FFCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)ccc21 ZINC000827913832 1018963823 /nfs/dbraw/zinc/96/38/23/1018963823.db2.gz PJQUSOGHNCKSRC-IBGZPJMESA-N 1 0 362.477 2.737 20 10 FFCDRO COc1cc(Br)cc(CN2CCC[C@]23CCC[NH2+]C3)c1O ZINC001222237022 1032841495 /nfs/dbraw/zinc/84/14/95/1032841495.db2.gz DHFPSBRBMWVMEW-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO COc1cc(CN2CCC[C@]23CCC[NH2+]C3)c(O)cc1Br ZINC001222253561 1032850313 /nfs/dbraw/zinc/85/03/13/1032850313.db2.gz QEHXRJOXGQFIJI-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO Cc1nc(-c2ccnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2)n[nH]1 ZINC000902150220 1019902934 /nfs/dbraw/zinc/90/29/34/1019902934.db2.gz MMGZENLSLGYKNU-UHFFFAOYSA-N 1 0 363.469 2.539 20 10 FFCDRO COc1cc(N2CC[NH+](CC3CCC(=O)CC3)CC2)cc(OC)c1OC ZINC000828867803 1032878381 /nfs/dbraw/zinc/87/83/81/1032878381.db2.gz HGJRQTHZRUPQKE-UHFFFAOYSA-N 1 0 362.470 2.594 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1 ZINC000902958157 1020598022 /nfs/dbraw/zinc/59/80/22/1020598022.db2.gz OLRQJZUOFVXZLL-LJQANCHMSA-N 1 0 355.486 2.640 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)cc(C)n3)cc2F)CC1 ZINC000800883752 1020620943 /nfs/dbraw/zinc/62/09/43/1020620943.db2.gz FJQVGORXVJPBIF-UHFFFAOYSA-N 1 0 370.472 2.909 20 10 FFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903102890 1020679043 /nfs/dbraw/zinc/67/90/43/1020679043.db2.gz CGSLGILVWBXYEO-POZUXBRTSA-N 1 0 368.424 2.794 20 10 FFCDRO C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000801050188 1020730107 /nfs/dbraw/zinc/73/01/07/1020730107.db2.gz CJPITQOITRXTJN-QZTJIDSGSA-N 1 0 374.529 2.567 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000932382735 1020787383 /nfs/dbraw/zinc/78/73/83/1020787383.db2.gz WOWRLPBJIFFRTO-NRFANRHFSA-N 1 0 352.482 2.847 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC([C@H]4COC(=O)N4)CC3)cc2)CC1 ZINC000932770900 1020896373 /nfs/dbraw/zinc/89/63/73/1020896373.db2.gz OPCZORLPQKBTBD-HXUWFJFHSA-N 1 0 373.497 2.622 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001217997801 1032939621 /nfs/dbraw/zinc/93/96/21/1032939621.db2.gz XFSLLNFPURNOSU-CYBMUJFWSA-N 1 0 351.402 2.997 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CC3)C[C@H](O)CCO4)cc2)CC1 ZINC000933054064 1020945537 /nfs/dbraw/zinc/94/55/37/1020945537.db2.gz GBCSVHIPXSRCMG-HXUWFJFHSA-N 1 0 374.525 2.808 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001116584520 1021294959 /nfs/dbraw/zinc/29/49/59/1021294959.db2.gz HJOTXWZIYPPAQA-GOEBONIOSA-N 1 0 360.479 2.817 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+]C[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218066532 1032977681 /nfs/dbraw/zinc/97/76/81/1032977681.db2.gz LTWIQFWOLVHHRU-GJZGRUSLSA-N 1 0 355.365 2.549 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)ccc(O)c21 ZINC001218146432 1033017344 /nfs/dbraw/zinc/01/73/44/1033017344.db2.gz MTBXSNIPEZWXLS-ISTRZQFTSA-N 1 0 363.413 2.935 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CNc4ccccc4C3)cc2F)CC1 ZINC001118236640 1022135475 /nfs/dbraw/zinc/13/54/75/1022135475.db2.gz XFFLDAPEDLEDGQ-GOSISDBHSA-N 1 0 354.473 2.704 20 10 FFCDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC001118640887 1022332286 /nfs/dbraw/zinc/33/22/86/1022332286.db2.gz VFQQNTBKZNZIPP-ZFWWWQNUSA-N 1 0 366.259 2.898 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3C)C2)cc1 ZINC001118830794 1022428391 /nfs/dbraw/zinc/42/83/91/1022428391.db2.gz SNDCMFDKAFMGCH-HNNXBMFYSA-N 1 0 350.422 2.660 20 10 FFCDRO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001119502175 1022818101 /nfs/dbraw/zinc/81/81/01/1022818101.db2.gz LRBJAOWAIUYEON-UHFFFAOYSA-N 1 0 370.541 2.593 20 10 FFCDRO Oc1ccc(F)cc1CNc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000779122978 1022842645 /nfs/dbraw/zinc/84/26/45/1022842645.db2.gz PQCONDCIANPUOW-UHFFFAOYSA-N 1 0 370.428 2.894 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[NH+](C)C)cc1 ZINC001122328849 1023192367 /nfs/dbraw/zinc/19/23/67/1023192367.db2.gz XGJGOVPMNDSJQY-SFTDATJTSA-N 1 0 366.509 2.706 20 10 FFCDRO O=C(NC[C@@H]1CCCCC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001120579705 1023370160 /nfs/dbraw/zinc/37/01/60/1023370160.db2.gz VPPVVQFTULXNKB-ROUUACIJSA-N 1 0 361.486 2.615 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001120644886 1023400240 /nfs/dbraw/zinc/40/02/40/1023400240.db2.gz OFBHIBBGSUYUBG-AEFFLSMTSA-N 1 0 370.497 2.913 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+]C[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218416823 1033147331 /nfs/dbraw/zinc/14/73/31/1033147331.db2.gz UGAXYMKULSODJP-WBMJQRKESA-N 1 0 351.402 2.847 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c2c1c(F)ccc2O ZINC000756837718 1023757895 /nfs/dbraw/zinc/75/78/95/1023757895.db2.gz JBRRMVLJESQKJV-FIXIBIHLSA-N 1 0 358.417 2.597 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[NH2+]CCC1(F)F)C(=O)c1ccccc1C2=O ZINC001218452736 1033163047 /nfs/dbraw/zinc/16/30/47/1033163047.db2.gz FGRRVZNCOZGJLD-OAHLLOKOSA-N 1 0 373.355 2.852 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)cc1 ZINC000779478318 1023931659 /nfs/dbraw/zinc/93/16/59/1023931659.db2.gz AXWOBMIERCNEOA-UHFFFAOYSA-N 1 0 368.481 2.655 20 10 FFCDRO CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758224358 1023975861 /nfs/dbraw/zinc/97/58/61/1023975861.db2.gz RIDGXXOGIJBZAF-FQEVSTJZSA-N 1 0 370.493 2.820 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1)OCO2 ZINC000758480795 1024133636 /nfs/dbraw/zinc/13/36/36/1024133636.db2.gz MYSASGJEHCENLG-QGZVFWFLSA-N 1 0 372.490 2.828 20 10 FFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000079293804 1024235489 /nfs/dbraw/zinc/23/54/89/1024235489.db2.gz STHKUZPFXHFGPC-GOSISDBHSA-N 1 0 374.529 2.539 20 10 FFCDRO CC[C@@H](C)[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001276850911 1033207855 /nfs/dbraw/zinc/20/78/55/1033207855.db2.gz HAXKHHWPCFXGSE-DYESRHJHSA-N 1 0 359.514 2.602 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(C)C ZINC000194097872 1024743499 /nfs/dbraw/zinc/74/34/99/1024743499.db2.gz DAUCNDXETXWHCP-IYBDPMFKSA-N 1 0 365.493 2.786 20 10 FFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141913 1025509378 /nfs/dbraw/zinc/50/93/78/1025509378.db2.gz ZWSHBPXPXCEPEX-GOSISDBHSA-N 1 0 360.498 2.780 20 10 FFCDRO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCCN5C)C[C@H]3O2)n1 ZINC001141142232 1025511285 /nfs/dbraw/zinc/51/12/85/1025511285.db2.gz KMRWPQLBDJLIHT-ZYSHUDEJSA-N 1 0 370.453 2.559 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC[N@@H+](C2CC2)C1 ZINC000838031756 1026175956 /nfs/dbraw/zinc/17/59/56/1026175956.db2.gz NYGNTJNYOACHHJ-INIZCTEOSA-N 1 0 356.514 2.695 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000838772131 1026501788 /nfs/dbraw/zinc/50/17/88/1026501788.db2.gz PCRNLODFWGKVSU-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO C[N@H+](Cc1ccccc1)C1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839136704 1026601205 /nfs/dbraw/zinc/60/12/05/1026601205.db2.gz XMIQYNCIOOJHFT-UHFFFAOYSA-N 1 0 351.494 2.839 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146901 1026605941 /nfs/dbraw/zinc/60/59/41/1026605941.db2.gz ZNVCWEOEYSKFQP-UHFFFAOYSA-N 1 0 364.392 2.805 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000839199403 1026619141 /nfs/dbraw/zinc/61/91/41/1026619141.db2.gz LALGOXYBPASULS-LEWJYISDSA-N 1 0 373.541 2.584 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000839542587 1026725171 /nfs/dbraw/zinc/72/51/71/1026725171.db2.gz UKBODDSYCBNKIN-MRXNPFEDSA-N 1 0 369.465 2.946 20 10 FFCDRO COCC(C)(C)CC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000839717475 1026801993 /nfs/dbraw/zinc/80/19/93/1026801993.db2.gz MVFPDLUVPMVCOX-UHFFFAOYSA-N 1 0 373.541 2.898 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c(O)cc1C ZINC000840116517 1026963902 /nfs/dbraw/zinc/96/39/02/1026963902.db2.gz ZDMRJXVSNQCSHH-SFHVURJKSA-N 1 0 371.481 2.839 20 10 FFCDRO NC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@H]1c1ccccc1 ZINC000840176651 1026997722 /nfs/dbraw/zinc/99/77/22/1026997722.db2.gz GNZULMJPJTYNHH-VQTJNVASSA-N 1 0 350.462 2.972 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000840554000 1027110022 /nfs/dbraw/zinc/11/00/22/1027110022.db2.gz BHFYDXRJGBTWIB-INIZCTEOSA-N 1 0 354.498 2.879 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(O)cc1C ZINC000795659373 1027590698 /nfs/dbraw/zinc/59/06/98/1027590698.db2.gz YAGDUAQOJKYKMU-CYBMUJFWSA-N 1 0 374.403 2.990 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cn(Cc4ccccc4)nn3)cc2)CC1 ZINC000795801931 1028140229 /nfs/dbraw/zinc/14/02/29/1028140229.db2.gz NBZXAAUGEYRBLW-UHFFFAOYSA-N 1 0 362.481 2.690 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2C)cc1C ZINC001103854250 1028302678 /nfs/dbraw/zinc/30/26/78/1028302678.db2.gz CYAXTAQNJUYAJT-POAQFYNOSA-N 1 0 360.498 2.757 20 10 FFCDRO Nc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ncc1[N+](=O)[O-] ZINC001155640385 1028831011 /nfs/dbraw/zinc/83/10/11/1028831011.db2.gz BTNDYRWGBRTNKH-DKYLXPRQSA-N 1 0 369.469 2.971 20 10 FFCDRO Oc1cc2c(cc1O)CN(c1ccc(OCC3CC[NH2+]CC3)cn1)CCC2 ZINC001155948836 1028987643 /nfs/dbraw/zinc/98/76/43/1028987643.db2.gz WKRSNRXODCUHEB-UHFFFAOYSA-N 1 0 369.465 2.824 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc(OC)n3)CC2)cc1 ZINC001156256865 1029114638 /nfs/dbraw/zinc/11/46/38/1029114638.db2.gz KWGLUTZUGCBQLQ-UHFFFAOYSA-N 1 0 356.470 2.723 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nnccc3Cl)CC2)cc1 ZINC001164328242 1029247655 /nfs/dbraw/zinc/24/76/55/1029247655.db2.gz VOVGHHKBCIGXFH-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO COC(=O)c1ccc(Cl)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156651584 1029286436 /nfs/dbraw/zinc/28/64/36/1029286436.db2.gz OTYFFWVMVYCTTC-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001157431926 1029585028 /nfs/dbraw/zinc/58/50/28/1029585028.db2.gz BITOIPRRUGUHAY-BBRMVZONSA-N 1 0 352.425 2.993 20 10 FFCDRO COC(=O)c1ccccc1OCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000782444443 1029700657 /nfs/dbraw/zinc/70/06/57/1029700657.db2.gz KUUXCEVGVIKYRB-UHFFFAOYSA-N 1 0 370.449 2.683 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000840928615 1029928899 /nfs/dbraw/zinc/92/88/99/1029928899.db2.gz ASURSOBNYYYAPX-JOCHJYFZSA-N 1 0 353.510 2.570 20 10 FFCDRO COc1cc(OCC[NH+](C)C)ccc1NCc1cc2c(cc1O)OCO2 ZINC000840958680 1029943255 /nfs/dbraw/zinc/94/32/55/1029943255.db2.gz NQJKUBYDHJJYQS-UHFFFAOYSA-N 1 0 360.410 2.682 20 10 FFCDRO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841043509 1029998502 /nfs/dbraw/zinc/99/85/02/1029998502.db2.gz OXOGZVPRXLNBLK-FQEVSTJZSA-N 1 0 365.481 2.941 20 10 FFCDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044702 1029999269 /nfs/dbraw/zinc/99/92/69/1029999269.db2.gz XQONQFPSTOLPPV-SFHVURJKSA-N 1 0 358.442 2.849 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1c1ccccc1F ZINC000841104207 1030041692 /nfs/dbraw/zinc/04/16/92/1030041692.db2.gz PAPQTYNVZCQTFY-FXAWDEMLSA-N 1 0 373.447 2.728 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1F ZINC000841326562 1030200176 /nfs/dbraw/zinc/20/01/76/1030200176.db2.gz ZRCDXXJZYKSRSE-UHFFFAOYSA-N 1 0 358.417 2.647 20 10 FFCDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000841689401 1030406314 /nfs/dbraw/zinc/40/63/14/1030406314.db2.gz CQLVZWMVVCLZBC-CRAIPNDOSA-N 1 0 356.422 2.565 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)ccc21 ZINC000841758522 1030446554 /nfs/dbraw/zinc/44/65/54/1030446554.db2.gz IIBSZAYYRUCWMK-OALUTQOASA-N 1 0 356.514 2.600 20 10 FFCDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203555854 1030762799 /nfs/dbraw/zinc/76/27/99/1030762799.db2.gz HKDMYQPFPBVMHD-BJLQDIEVSA-N 1 0 351.450 2.934 20 10 FFCDRO O=C([C@@H]1CCC2(CC[NH+](Cc3ccccc3O)CC2)CO1)N1CCCC1 ZINC001203555864 1030762922 /nfs/dbraw/zinc/76/29/22/1030762922.db2.gz HSZQFIIEZJJZPF-IBGZPJMESA-N 1 0 358.482 2.776 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c1O ZINC001203595952 1030779483 /nfs/dbraw/zinc/77/94/83/1030779483.db2.gz UEMUEALCKSLGDZ-UHFFFAOYSA-N 1 0 355.394 2.849 20 10 FFCDRO CCOc1cccc(CN2CCn3cnc(COCC4CC4)c3C2)c1O ZINC001203608518 1030782909 /nfs/dbraw/zinc/78/29/09/1030782909.db2.gz SCKYALPFUUIYNL-UHFFFAOYSA-N 1 0 357.454 2.930 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3nc(C)cc(OC)n3)C2)c1O ZINC001203616970 1030786852 /nfs/dbraw/zinc/78/68/52/1030786852.db2.gz CQILQIAKLPTPBV-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001203623458 1030793878 /nfs/dbraw/zinc/79/38/78/1030793878.db2.gz RLDBHHLRCPYOTA-IBGZPJMESA-N 1 0 366.461 2.897 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)[C@H](COC)C1=O ZINC001203658341 1030807610 /nfs/dbraw/zinc/80/76/10/1030807610.db2.gz KBZODILPEOWZQK-MRXNPFEDSA-N 1 0 366.889 2.753 20 10 FFCDRO CN(c1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001203806753 1030901239 /nfs/dbraw/zinc/90/12/39/1030901239.db2.gz DJUXPVYBZOMCMO-UHFFFAOYSA-N 1 0 373.522 2.873 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1C ZINC000842723372 1030925288 /nfs/dbraw/zinc/92/52/88/1030925288.db2.gz XPAYFWYKHQBUMJ-GOSISDBHSA-N 1 0 357.473 2.895 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(N2CCNC2=O)cc1 ZINC000842743036 1030936453 /nfs/dbraw/zinc/93/64/53/1030936453.db2.gz APUGAEFFIYWGDD-GFCCVEGCSA-N 1 0 355.394 2.501 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)CN1c1ccsc1 ZINC001203877878 1030952520 /nfs/dbraw/zinc/95/25/20/1030952520.db2.gz YIASNUDRXYJELP-UHFFFAOYSA-N 1 0 374.462 2.557 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)cc1 ZINC001203931403 1030989252 /nfs/dbraw/zinc/98/92/52/1030989252.db2.gz GYRDIFKJQJKYLQ-HMXCVIKNSA-N 1 0 371.525 2.506 20 10 FFCDRO Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4ccc(N(C)C)cc4)C[C@@H]3C2)nn1 ZINC001203931485 1030990777 /nfs/dbraw/zinc/99/07/77/1030990777.db2.gz RKHHBPGSLOIUSM-RTBURBONSA-N 1 0 351.498 2.809 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)cc1 ZINC001203931116 1030991399 /nfs/dbraw/zinc/99/13/99/1030991399.db2.gz NCNJPTAMNRQHRN-IRFCIJBXSA-N 1 0 371.525 2.602 20 10 FFCDRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274795 1031200418 /nfs/dbraw/zinc/20/04/18/1031200418.db2.gz TUFJSFKWDLSKNJ-JOCHJYFZSA-N 1 0 364.445 2.998 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001204275147 1031201000 /nfs/dbraw/zinc/20/10/00/1031201000.db2.gz XZAZPHFSIXANOR-APWZRJJASA-N 1 0 358.413 2.574 20 10 FFCDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204274114 1031202571 /nfs/dbraw/zinc/20/25/71/1031202571.db2.gz IVHAQPBQNFMPEJ-BJLQDIEVSA-N 1 0 367.449 2.639 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(O)c1 ZINC001204275151 1031205619 /nfs/dbraw/zinc/20/56/19/1031205619.db2.gz XZAZPHFSIXANOR-VQIMIIECSA-N 1 0 358.413 2.574 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001204327959 1031228323 /nfs/dbraw/zinc/22/83/23/1031228323.db2.gz OKSKIDAKNQDBJC-JOCHJYFZSA-N 1 0 371.525 2.748 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@H]1C ZINC001204339245 1031234360 /nfs/dbraw/zinc/23/43/60/1031234360.db2.gz CNHGSUFBWCGWCN-GWCFXTLKSA-N 1 0 372.259 2.937 20 10 FFCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)c1O ZINC001143104884 1031237656 /nfs/dbraw/zinc/23/76/56/1031237656.db2.gz GONOUUKXFBSGMP-MSOLQXFVSA-N 1 0 368.481 2.569 20 10 FFCDRO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001204344720 1031240045 /nfs/dbraw/zinc/24/00/45/1031240045.db2.gz BTRSORNSVYMXLG-CQSZACIVSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc(O)c1O ZINC001204344361 1031240562 /nfs/dbraw/zinc/24/05/62/1031240562.db2.gz GIMICQKYIVFWSQ-UHFFFAOYSA-N 1 0 358.438 2.575 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc(O)c1O ZINC001204350158 1031245284 /nfs/dbraw/zinc/24/52/84/1031245284.db2.gz YHYNGYIURCIPNR-JFIYKMOQSA-N 1 0 363.454 2.655 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350165 1031340409 /nfs/dbraw/zinc/34/04/09/1031340409.db2.gz NZYBVTDHMRMKQZ-ZDUSSCGKSA-N 1 0 354.410 2.833 20 10 FFCDRO COc1ccccc1CN(C)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350246 1031341605 /nfs/dbraw/zinc/34/16/05/1031341605.db2.gz QSUNYSAXPPXBIF-UHFFFAOYSA-N 1 0 353.466 2.565 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000843350564 1031344888 /nfs/dbraw/zinc/34/48/88/1031344888.db2.gz PBEFWAFKKYABSS-SFHVURJKSA-N 1 0 357.404 2.982 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCOC1C[NH2+]C1 ZINC000843486459 1031424914 /nfs/dbraw/zinc/42/49/14/1031424914.db2.gz TXVDNBRARQXUER-MRXNPFEDSA-N 1 0 354.450 2.861 20 10 FFCDRO COC(=O)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000843488081 1031425263 /nfs/dbraw/zinc/42/52/63/1031425263.db2.gz PWMVQBYPLQLKIT-YJBOKZPZSA-N 1 0 370.449 2.763 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000843504787 1031433639 /nfs/dbraw/zinc/43/36/39/1031433639.db2.gz HMYVNCWTDJNNJF-HRAATJIYSA-N 1 0 353.466 2.512 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)cc1 ZINC001218726541 1033306242 /nfs/dbraw/zinc/30/62/42/1033306242.db2.gz GZVBMWYDGIJREX-QKYXPGDISA-N 1 0 352.438 2.540 20 10 FFCDRO CCOCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001276874322 1033349149 /nfs/dbraw/zinc/34/91/49/1033349149.db2.gz HSMFZXKKHGEVIN-LJQANCHMSA-N 1 0 359.514 2.507 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3[NH2+]CC[C@H]3O)cc2)cc1 ZINC001219203225 1033553796 /nfs/dbraw/zinc/55/37/96/1033553796.db2.gz AGJNABWLQGEVDW-WGLWSTOQSA-N 1 0 351.450 2.584 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)cc2)cc1 ZINC001219203224 1033554666 /nfs/dbraw/zinc/55/46/66/1033554666.db2.gz AGJNABWLQGEVDW-LOKQZNEXSA-N 1 0 351.450 2.584 20 10 FFCDRO Nc1ccc(N(C(=O)[C@H]2C[NH2+]CCO2)c2ccc3ccccc3c2N)cc1 ZINC001219471905 1033660394 /nfs/dbraw/zinc/66/03/94/1033660394.db2.gz XCSOKVMCKCXAMC-LJQANCHMSA-N 1 0 362.433 2.657 20 10 FFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001138127434 1033812288 /nfs/dbraw/zinc/81/22/88/1033812288.db2.gz BIMDKNIPHTZCGB-GFCCVEGCSA-N 1 0 368.206 2.737 20 10 FFCDRO O=C1N(CC(F)F)CC[C@@]12CC[N@@H+](Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001276967433 1033862340 /nfs/dbraw/zinc/86/23/40/1033862340.db2.gz LXMLYAJJUJHFSH-MRXNPFEDSA-N 1 0 362.779 2.874 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000831132539 1033960358 /nfs/dbraw/zinc/96/03/58/1033960358.db2.gz DDYIBRAGIYAULJ-FQEVSTJZSA-N 1 0 352.482 2.829 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000831180155 1033979952 /nfs/dbraw/zinc/97/99/52/1033979952.db2.gz KIMXKXYVMZFGLE-IBGZPJMESA-N 1 0 356.514 2.864 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)c2ccccc2n1C ZINC001138255541 1034024436 /nfs/dbraw/zinc/02/44/36/1034024436.db2.gz KTHUWHQRPKVMAE-RXVVDRJESA-N 1 0 374.488 2.972 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(C)c2O)C1=O ZINC001277025503 1034169364 /nfs/dbraw/zinc/16/93/64/1034169364.db2.gz DYVMVYOXKJYRMC-FQEVSTJZSA-N 1 0 364.461 2.832 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](OCC(=O)NC(C)(C)C)C3)ccc21 ZINC001138356091 1034193131 /nfs/dbraw/zinc/19/31/31/1034193131.db2.gz HHRADVDPODHEPC-LJQANCHMSA-N 1 0 373.541 2.965 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)ccc21 ZINC001138358738 1034194310 /nfs/dbraw/zinc/19/43/10/1034194310.db2.gz YVJFCJKGMHMMMA-ICSRJNTNSA-N 1 0 362.477 2.559 20 10 FFCDRO COc1ccnc(OC2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)n1 ZINC001138359126 1034194964 /nfs/dbraw/zinc/19/49/64/1034194964.db2.gz LMOKPBMWSUATET-UHFFFAOYSA-N 1 0 368.481 2.911 20 10 FFCDRO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138497335 1034335273 /nfs/dbraw/zinc/33/52/73/1034335273.db2.gz GCOLOWCBBSNKMV-UHFFFAOYSA-N 1 0 371.525 2.890 20 10 FFCDRO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499505 1034340405 /nfs/dbraw/zinc/34/04/05/1034340405.db2.gz NIKPTIHXSVZXRW-QGZVFWFLSA-N 1 0 356.470 2.848 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c1O ZINC001277068638 1034392239 /nfs/dbraw/zinc/39/22/39/1034392239.db2.gz RMWJYWRRVWKGLD-GOSISDBHSA-N 1 0 352.862 2.889 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(Br)c1)[C@@H]1CCOC1 ZINC001138679146 1034538649 /nfs/dbraw/zinc/53/86/49/1034538649.db2.gz RPKIFNBMAPAJJZ-CQSZACIVSA-N 1 0 355.276 2.506 20 10 FFCDRO Cc1cc2c(cc1C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CO2 ZINC000832284214 1034700287 /nfs/dbraw/zinc/70/02/87/1034700287.db2.gz IIBJCXWLWULPLE-RBUKOAKNSA-N 1 0 353.466 2.662 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000832284880 1034701633 /nfs/dbraw/zinc/70/16/33/1034701633.db2.gz NTDWYBPHJHTXIG-MOPGFXCFSA-N 1 0 351.450 2.629 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000832292990 1034706684 /nfs/dbraw/zinc/70/66/84/1034706684.db2.gz OSTSGOFVSPJJDU-CRAIPNDOSA-N 1 0 373.884 2.773 20 10 FFCDRO CN(CC(=O)OCc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411245 1035095345 /nfs/dbraw/zinc/09/53/45/1035095345.db2.gz BKCWIHHUZXPZNE-UHFFFAOYSA-N 1 0 367.493 2.614 20 10 FFCDRO CC[C@H]1[N@H+](Cc2cc(F)ccc2O)CCC[C@]12CCC(=O)N2CCOC ZINC001140053720 1035323639 /nfs/dbraw/zinc/32/36/39/1035323639.db2.gz AQHXPXMHRKXKIQ-QUCCMNQESA-N 1 0 364.461 2.913 20 10 FFCDRO O=C1NCN(c2ccc(F)cc2)C12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140058559 1035325955 /nfs/dbraw/zinc/32/59/55/1035325955.db2.gz GYWPAAQIUOCBPP-UHFFFAOYSA-N 1 0 373.403 2.599 20 10 FFCDRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140062963 1035327859 /nfs/dbraw/zinc/32/78/59/1035327859.db2.gz JBZYJYXYPGMTBV-UHFFFAOYSA-N 1 0 369.440 2.941 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]12CCN(c1cccnc1)C2=O ZINC001140063780 1035328078 /nfs/dbraw/zinc/32/80/78/1035328078.db2.gz ZSPWHZKDJNRDEY-JLTOFOAXSA-N 1 0 355.413 2.801 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1O ZINC001140180854 1035370762 /nfs/dbraw/zinc/37/07/62/1035370762.db2.gz NGLDNEAXOVLBDD-IBGZPJMESA-N 1 0 372.509 2.860 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1O ZINC001140181503 1035370890 /nfs/dbraw/zinc/37/08/90/1035370890.db2.gz WSGSVWWAGBKTND-UTKZUKDTSA-N 1 0 354.450 2.931 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c1O ZINC001140184518 1035372099 /nfs/dbraw/zinc/37/20/99/1035372099.db2.gz XTVUHJPICIAWIG-INIZCTEOSA-N 1 0 364.486 2.813 20 10 FFCDRO O=C(CC[NH2+][C@@H]1CCc2cccc(O)c21)N1CCN(c2ccccc2)CC1 ZINC000834551972 1035406807 /nfs/dbraw/zinc/40/68/07/1035406807.db2.gz UEGIOKQKFBFNDU-LJQANCHMSA-N 1 0 365.477 2.708 20 10 FFCDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140283270 1035418118 /nfs/dbraw/zinc/41/81/18/1035418118.db2.gz QWZDAWKECXMPSI-SFHVURJKSA-N 1 0 360.498 2.813 20 10 FFCDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140288414 1035420040 /nfs/dbraw/zinc/42/00/40/1035420040.db2.gz RYPZUDWUFBOZEN-GOSISDBHSA-N 1 0 360.498 2.813 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC001140304666 1035426334 /nfs/dbraw/zinc/42/63/34/1035426334.db2.gz XUHJLPHNSDHUNH-UHFFFAOYSA-N 1 0 370.463 2.508 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@H]3[C@H](C(F)(F)F)O4)cc2)CC1 ZINC001140306183 1035427547 /nfs/dbraw/zinc/42/75/47/1035427547.db2.gz NVPKQCRQOGROOK-OKZBNKHCSA-N 1 0 369.431 2.733 20 10 FFCDRO O=C1NCN(c2ccccc2)C12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140461917 1035483896 /nfs/dbraw/zinc/48/38/96/1035483896.db2.gz YDUGAIVUIZDHJQ-UHFFFAOYSA-N 1 0 371.868 2.974 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2)N1CCOCC1 ZINC001140464837 1035485371 /nfs/dbraw/zinc/48/53/71/1035485371.db2.gz DCYPZFABCIUOIV-INIZCTEOSA-N 1 0 364.873 2.507 20 10 FFCDRO O=C1OC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)c2cccnc21 ZINC001232262843 1035533364 /nfs/dbraw/zinc/53/33/64/1035533364.db2.gz SPSAWSOSUQJUIP-UHFFFAOYSA-N 1 0 360.797 2.808 20 10 FFCDRO CCN(C(C)=O)C1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232403939 1035651011 /nfs/dbraw/zinc/65/10/11/1035651011.db2.gz GMCUUHVFGMACNL-UHFFFAOYSA-N 1 0 371.481 2.798 20 10 FFCDRO COC(=O)c1c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c2ccccc2n1C ZINC001232405451 1035653948 /nfs/dbraw/zinc/65/39/48/1035653948.db2.gz KYFOKLDOEVFAQJ-UHFFFAOYSA-N 1 0 365.433 2.666 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C(=O)N1CC(F)F ZINC001277231688 1035671538 /nfs/dbraw/zinc/67/15/38/1035671538.db2.gz FFYXJVGNIQZOPO-QGZVFWFLSA-N 1 0 372.799 2.652 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1 ZINC001140620699 1035744893 /nfs/dbraw/zinc/74/48/93/1035744893.db2.gz YHEHPVPMUCBWSP-TZIWHRDSSA-N 1 0 354.450 2.761 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c1 ZINC001140621782 1035747695 /nfs/dbraw/zinc/74/76/95/1035747695.db2.gz PATBMUJDIIQZSZ-TZIWHRDSSA-N 1 0 367.449 2.715 20 10 FFCDRO CCc1nc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)no1 ZINC001140664674 1035819364 /nfs/dbraw/zinc/81/93/64/1035819364.db2.gz OHHJAFNYINXENQ-UHFFFAOYSA-N 1 0 374.460 2.987 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1O ZINC001140748559 1036046548 /nfs/dbraw/zinc/04/65/48/1036046548.db2.gz NNIUYFBNJSRARL-HOCLYGCPSA-N 1 0 359.495 2.959 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2C[C@H]3CN(C(=O)c4ccsc4)C[C@@H]3C2)c1O ZINC001140748103 1036048001 /nfs/dbraw/zinc/04/80/01/1036048001.db2.gz GMBWNNULMMSZIM-HOTGVXAUSA-N 1 0 358.463 2.672 20 10 FFCDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(Cc1ccc(N(C)C)cc1O)C2 ZINC001232837561 1036089224 /nfs/dbraw/zinc/08/92/24/1036089224.db2.gz KREVVUVJORIROJ-UHFFFAOYSA-N 1 0 357.502 2.511 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC001232837036 1036092027 /nfs/dbraw/zinc/09/20/27/1036092027.db2.gz ZUJODXFDHMFRNE-WMLDXEAASA-N 1 0 361.486 2.899 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001232836893 1036092078 /nfs/dbraw/zinc/09/20/78/1036092078.db2.gz VSWCBBNTHZVOOV-HUUCEWRRSA-N 1 0 350.356 2.686 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c(O)c1 ZINC001232838270 1036094940 /nfs/dbraw/zinc/09/49/40/1036094940.db2.gz IOGAIIZRCITTLN-LMNJBCLMSA-N 1 0 369.465 2.664 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c(O)c1 ZINC001232839993 1036095465 /nfs/dbraw/zinc/09/54/65/1036095465.db2.gz ZLYYFPIIUZTYHI-UHFFFAOYSA-N 1 0 362.861 2.945 20 10 FFCDRO CC1(C)C[N@H+](Cc2ccc(I)cc2O)CCCO1 ZINC001232978556 1036209300 /nfs/dbraw/zinc/20/93/00/1036209300.db2.gz KCGRDDOAJFKGDV-UHFFFAOYSA-N 1 0 361.223 2.998 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@H+](Cc3c(C)cccc3O)CC2)C1=O ZINC001277317409 1036221066 /nfs/dbraw/zinc/22/10/66/1036221066.db2.gz BCFMUNYCXLJWJX-NRFANRHFSA-N 1 0 360.498 2.942 20 10 FFCDRO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(O)c(O)c(O)c4)C3)CC2=O)cc1 ZINC001233013260 1036246918 /nfs/dbraw/zinc/24/69/18/1036246918.db2.gz QKFHDUHUNWTOFO-NRFANRHFSA-N 1 0 368.433 2.741 20 10 FFCDRO CC1(C)[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]12c1ccccc1OC2=O ZINC001233016310 1036252119 /nfs/dbraw/zinc/25/21/19/1036252119.db2.gz SQAPXUQWIJCVOK-FQEVSTJZSA-N 1 0 355.390 2.645 20 10 FFCDRO [O-]c1c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccc(F)c1F ZINC001233074336 1036320903 /nfs/dbraw/zinc/32/09/03/1036320903.db2.gz NQIXINGKIJMTQO-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO Cc1cc(Br)cc(CN2CC[NH+](CCC(C)(C)O)CC2)c1O ZINC001233111759 1036355926 /nfs/dbraw/zinc/35/59/26/1036355926.db2.gz WQIIUGUELBPTCU-UHFFFAOYSA-N 1 0 371.319 2.742 20 10 FFCDRO COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(Br)cc(C)c1O ZINC001233107680 1036356546 /nfs/dbraw/zinc/35/65/46/1036356546.db2.gz HGZUAHXZKDKYSM-YIONKMFJSA-N 1 0 356.260 2.841 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CC(C)C)CC2)cc1Br ZINC001233137417 1036384968 /nfs/dbraw/zinc/38/49/68/1036384968.db2.gz MWWDRMBKWQCATF-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC001233138870 1036389439 /nfs/dbraw/zinc/38/94/39/1036389439.db2.gz DHQAJNZEFFHDEQ-CYBMUJFWSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1Br ZINC001233142480 1036393220 /nfs/dbraw/zinc/39/32/20/1036393220.db2.gz PPPZYELRJYEMRW-LBPRGKRZSA-N 1 0 367.247 2.592 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)cc1Br ZINC001233141531 1036393312 /nfs/dbraw/zinc/39/33/12/1036393312.db2.gz JHJSCFKUJPRRKM-LBPRGKRZSA-N 1 0 372.259 2.891 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC001233194225 1036432007 /nfs/dbraw/zinc/43/20/07/1036432007.db2.gz MYTBWSDJLJQQOL-ZDUSSCGKSA-N 1 0 352.228 2.501 20 10 FFCDRO O=S1CC2(C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC001233193948 1036433112 /nfs/dbraw/zinc/43/31/12/1036433112.db2.gz IXEXLZWOURHQEO-UHFFFAOYSA-N 1 0 366.280 2.872 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)c2ccccc2n1C ZINC001233272483 1036479245 /nfs/dbraw/zinc/47/92/45/1036479245.db2.gz NBZBWEYOYKYBNY-GJZGRUSLSA-N 1 0 372.465 2.986 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)OCCN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948159 1036540351 /nfs/dbraw/zinc/54/03/51/1036540351.db2.gz VXJLMXTUDGBERP-WMZOPIPTSA-N 1 0 362.470 2.911 20 10 FFCDRO O=C1c2cccc(O[C@H]3CCc4nccn4C3)c2C(=O)c2cccc(O)c21 ZINC001229192388 1036542644 /nfs/dbraw/zinc/54/26/44/1036542644.db2.gz LCNFKXIOWJLVBP-LBPRGKRZSA-N 1 0 360.369 2.758 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccco4)[C@H]3C2)c(O)c1 ZINC001140949889 1036546273 /nfs/dbraw/zinc/54/62/73/1036546273.db2.gz OODCMRHQOXBHJZ-ABSDTBQOSA-N 1 0 370.449 2.561 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)cc1O ZINC001233485673 1036653148 /nfs/dbraw/zinc/65/31/48/1036653148.db2.gz GKCWMIKZIOOKAV-UHFFFAOYSA-N 1 0 359.304 2.585 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[NH+](Cc2cc(O)c(O)cc2O)CCC1 ZINC001233487258 1036655853 /nfs/dbraw/zinc/65/58/53/1036655853.db2.gz WMFIHWKZVZCVKV-UHFFFAOYSA-N 1 0 352.431 2.636 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)cc1O ZINC001233487112 1036656432 /nfs/dbraw/zinc/65/64/32/1036656432.db2.gz QHIOCDCRRRHPOR-UHFFFAOYSA-N 1 0 354.450 2.901 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486899 1036656481 /nfs/dbraw/zinc/65/64/81/1036656481.db2.gz HMLRRGPHJJNVSL-DGCLKSJQSA-N 1 0 352.431 2.681 20 10 FFCDRO CC/C=C/CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000836573342 1036659431 /nfs/dbraw/zinc/65/94/31/1036659431.db2.gz PFRMFFCTIHOQOT-ONEGZZNKSA-N 1 0 356.514 2.984 20 10 FFCDRO COCc1noc2c1CN(Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001233745535 1036743500 /nfs/dbraw/zinc/74/35/00/1036743500.db2.gz LMEVSYYOABWWRU-UHFFFAOYSA-N 1 0 358.316 2.984 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c(OC)c1 ZINC001141031585 1036776081 /nfs/dbraw/zinc/77/60/81/1036776081.db2.gz IFCCSAHXGJHUNH-CABCVRRESA-N 1 0 367.339 2.637 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C[C@H]1C ZINC001141032608 1036780823 /nfs/dbraw/zinc/78/08/23/1036780823.db2.gz IWQCEFZFRFWJFF-KGLIPLIRSA-N 1 0 351.443 2.821 20 10 FFCDRO CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC001277813069 1036793392 /nfs/dbraw/zinc/79/33/92/1036793392.db2.gz JXRKJQFKQVNSDI-HZPDHXFCSA-N 1 0 362.470 2.775 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001277827178 1036889590 /nfs/dbraw/zinc/88/95/90/1036889590.db2.gz UVMXSTNNKJJDIB-KRWDZBQOSA-N 1 0 356.388 2.941 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001277827624 1036893580 /nfs/dbraw/zinc/89/35/80/1036893580.db2.gz WBRJXDCLNAHMGS-OAQYLSRUSA-N 1 0 358.482 2.701 20 10 FFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)cc(OC)c1O ZINC001277422949 1036919894 /nfs/dbraw/zinc/91/98/94/1036919894.db2.gz WKJQUCZSOPCIGQ-KBRIMQKVSA-N 1 0 362.470 2.773 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)c(O)c(OC)c1 ZINC001277423281 1036920282 /nfs/dbraw/zinc/92/02/82/1036920282.db2.gz ZTSKXFPGTJJUBI-HXUWFJFHSA-N 1 0 362.470 2.632 20 10 FFCDRO Cc1cc(Br)cc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001235020590 1037308390 /nfs/dbraw/zinc/30/83/90/1037308390.db2.gz FTPKHMWFSGDXPT-KRWDZBQOSA-N 1 0 369.303 2.665 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235021814 1037308512 /nfs/dbraw/zinc/30/85/12/1037308512.db2.gz JYSOWSFTILLXHO-QGZVFWFLSA-N 1 0 369.303 2.665 20 10 FFCDRO CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001230656650 1037331393 /nfs/dbraw/zinc/33/13/93/1037331393.db2.gz GOBYEBOVXFAHDE-CEXWTWQISA-N 1 0 362.518 2.612 20 10 FFCDRO COC(=O)C(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC(C)C ZINC001207316151 1037339451 /nfs/dbraw/zinc/33/94/51/1037339451.db2.gz VKIJCYBBYQPDQG-UHFFFAOYSA-N 1 0 368.430 2.966 20 10 FFCDRO Oc1c(I)cccc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235129659 1037375990 /nfs/dbraw/zinc/37/59/90/1037375990.db2.gz NLXRWLPJCVDRRR-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001230859479 1037380346 /nfs/dbraw/zinc/38/03/46/1037380346.db2.gz ZZLWALRGFMCDOO-SJORKVTESA-N 1 0 362.518 2.694 20 10 FFCDRO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277506537 1037534695 /nfs/dbraw/zinc/53/46/95/1037534695.db2.gz IPGNGHSISOROOG-AMKSKSKJSA-N 1 0 368.836 2.728 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](Oc2cc(O)ccc2C(=O)c2ccc(O)c(O)c2)C1 ZINC001231345714 1037541697 /nfs/dbraw/zinc/54/16/97/1037541697.db2.gz RUSJVCLDSZYECC-OAHLLOKOSA-N 1 0 357.406 2.898 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](CCCCCO)C3)C2)cc1 ZINC001235491589 1037587102 /nfs/dbraw/zinc/58/71/02/1037587102.db2.gz CAQIPXWONZBJIC-NRFANRHFSA-N 1 0 362.514 2.777 20 10 FFCDRO COc1ccc(Br)c(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001231554108 1037677043 /nfs/dbraw/zinc/67/70/43/1037677043.db2.gz IXUXQOMBUPRGGZ-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(O)c1 ZINC001235681619 1037680200 /nfs/dbraw/zinc/68/02/00/1037680200.db2.gz AXTQZPWFWIXENA-GOSISDBHSA-N 1 0 360.498 2.903 20 10 FFCDRO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC001207748579 1037691866 /nfs/dbraw/zinc/69/18/66/1037691866.db2.gz KUEYJRKAAZNILE-UZLBHIALSA-N 1 0 356.514 2.980 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC001231586195 1037703870 /nfs/dbraw/zinc/70/38/70/1037703870.db2.gz DIWVXUTVZWPWFT-FPOVZHCZSA-N 1 0 354.450 2.757 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC001231590789 1037708699 /nfs/dbraw/zinc/70/86/99/1037708699.db2.gz HRQYAFMDXJYVEM-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)c(O)cc1O ZINC001231635081 1037756456 /nfs/dbraw/zinc/75/64/56/1037756456.db2.gz VLTJYFYHLOEOEG-UHFFFAOYSA-N 1 0 350.365 2.707 20 10 FFCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231635836 1037757295 /nfs/dbraw/zinc/75/72/95/1037757295.db2.gz MUWAEMXCXGCRHH-ZDUSSCGKSA-N 1 0 352.431 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c(O)cc1O ZINC001231635930 1037759920 /nfs/dbraw/zinc/75/99/20/1037759920.db2.gz ZCNPNBJXFZZUKP-LJQANCHMSA-N 1 0 374.462 2.797 20 10 FFCDRO CC(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)OCC1=O ZINC001277976678 1037831121 /nfs/dbraw/zinc/83/11/21/1037831121.db2.gz TYHRAENERTTXJE-NRFANRHFSA-N 1 0 360.498 2.975 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)c(O)c1 ZINC001231845997 1037945982 /nfs/dbraw/zinc/94/59/82/1037945982.db2.gz XCFYFWARJWJLPE-NRFANRHFSA-N 1 0 366.465 2.818 20 10 FFCDRO C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(Cc2ccc(O)cc2O)C1 ZINC001236152247 1037951791 /nfs/dbraw/zinc/95/17/91/1037951791.db2.gz DDQUOHHHLPGTFB-MRXNPFEDSA-N 1 0 352.551 2.964 20 10 FFCDRO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)nc1 ZINC001231854320 1037951783 /nfs/dbraw/zinc/95/17/83/1037951783.db2.gz CPRZHBWWYDBOQR-GOSISDBHSA-N 1 0 357.454 2.818 20 10 FFCDRO Oc1c(C[N@@H+]2CCCn3nnc(Cn4ccnc4)c3C2)ccc2ccccc21 ZINC001231880129 1037975018 /nfs/dbraw/zinc/97/50/18/1037975018.db2.gz GOEMPGMUMDBYKH-UHFFFAOYSA-N 1 0 374.448 2.788 20 10 FFCDRO CCCCN1CC2(CCC1=O)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001276552928 1038008032 /nfs/dbraw/zinc/00/80/32/1038008032.db2.gz HFVXKAWLXDVTKK-UHFFFAOYSA-N 1 0 362.470 2.808 20 10 FFCDRO CCCCN1CC[C@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)CC2)C1=O ZINC001276553906 1038016905 /nfs/dbraw/zinc/01/69/05/1038016905.db2.gz XMGKUHLSEQVOBS-HXUWFJFHSA-N 1 0 362.470 2.808 20 10 FFCDRO CCOC(=O)c1c(CN(CCOC)[C@H]2CCC[NH2+]C2)c2ccccc2n1C ZINC001236332309 1038049921 /nfs/dbraw/zinc/04/99/21/1038049921.db2.gz SFDKSZJZBPORAJ-INIZCTEOSA-N 1 0 373.497 2.555 20 10 FFCDRO C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236409650 1038075618 /nfs/dbraw/zinc/07/56/18/1038075618.db2.gz AMNJXXGROULSNO-IAZYJMLFSA-N 1 0 365.193 2.823 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001236670664 1038183093 /nfs/dbraw/zinc/18/30/93/1038183093.db2.gz OIRDAYAVKKNXIS-HNNXBMFYSA-N 1 0 369.303 2.760 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1OC ZINC001236749516 1038234922 /nfs/dbraw/zinc/23/49/22/1038234922.db2.gz GFZDNQOQOIPCDQ-BZNIZROVSA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)cc1Br ZINC001236751045 1038236624 /nfs/dbraw/zinc/23/66/24/1038236624.db2.gz NHUMGMHATMSDPO-UHFFFAOYSA-N 1 0 370.243 2.692 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cc(C)ncn3)C2)cc1OC ZINC001236751117 1038239249 /nfs/dbraw/zinc/23/92/49/1038239249.db2.gz CJGONIDRXSTEKR-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(O)c(C[N@H+](Cc2cccnc2)C2CCOCC2)cc1OC ZINC001236756681 1038243297 /nfs/dbraw/zinc/24/32/97/1038243297.db2.gz OJZCMDMODBJPRV-UHFFFAOYSA-N 1 0 358.438 2.986 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)cc1OC ZINC001236758418 1038244319 /nfs/dbraw/zinc/24/43/19/1038244319.db2.gz WYUFIYOMGMPCPN-JKSUJKDBSA-N 1 0 352.450 2.808 20 10 FFCDRO COc1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c(O)cc1Br ZINC001236757810 1038244577 /nfs/dbraw/zinc/24/45/77/1038244577.db2.gz XZPDFOOWXBORHO-UHFFFAOYSA-N 1 0 371.275 2.606 20 10 FFCDRO C[C@]1(CO)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1O ZINC001236780112 1038263285 /nfs/dbraw/zinc/26/32/85/1038263285.db2.gz YDNDXKPCDLOXPM-LEWJYISDSA-N 1 0 357.450 2.536 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c(O)c1 ZINC001236787011 1038268464 /nfs/dbraw/zinc/26/84/64/1038268464.db2.gz ISFDTOMSOXEHJM-GOSISDBHSA-N 1 0 372.509 2.994 20 10 FFCDRO CCc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)c(O)c1 ZINC001236787616 1038268799 /nfs/dbraw/zinc/26/87/99/1038268799.db2.gz IRMOCPOBVUAHHC-SFHVURJKSA-N 1 0 360.498 2.804 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c(O)c1 ZINC001236787710 1038269196 /nfs/dbraw/zinc/26/91/96/1038269196.db2.gz NEPKWYATWCYMMB-NQIIRXRSSA-N 1 0 354.450 2.877 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c(O)c1 ZINC001236788839 1038270470 /nfs/dbraw/zinc/27/04/70/1038270470.db2.gz PKNYQBUBXQXCGS-OAQYLSRUSA-N 1 0 360.498 2.804 20 10 FFCDRO COc1cnc(OC2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)nc1 ZINC001236816239 1038288491 /nfs/dbraw/zinc/28/84/91/1038288491.db2.gz RDAOTWNTWOMINM-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc4ccccc4cc3O)CC[C@@H]21 ZINC001236830226 1038295755 /nfs/dbraw/zinc/29/57/55/1038295755.db2.gz NUJWLXJBTDINBU-FPOVZHCZSA-N 1 0 354.450 2.757 20 10 FFCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236919765 1038354069 /nfs/dbraw/zinc/35/40/69/1038354069.db2.gz QEXIGAZBKGTZDO-UHFFFAOYSA-N 1 0 365.905 2.619 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928545 1038360042 /nfs/dbraw/zinc/36/00/42/1038360042.db2.gz MRIHWOFUUYNJAD-OAHLLOKOSA-N 1 0 352.862 2.562 20 10 FFCDRO CC[NH+]1C[C@H]2CN(Cc3c(O)cc(OC)cc3Br)C[C@@H]2C1 ZINC001237067322 1038431171 /nfs/dbraw/zinc/43/11/71/1038431171.db2.gz IFTJGWCQZLABRE-RYUDHWBXSA-N 1 0 355.276 2.547 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2([C@@H]3CCCCO3)CC2)[NH+](C)C)cc1 ZINC001256237030 1038446196 /nfs/dbraw/zinc/44/61/96/1038446196.db2.gz PHQMMPSKAIGOIY-OALUTQOASA-N 1 0 374.529 2.756 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H]1C(=O)OC ZINC001257718153 1038939650 /nfs/dbraw/zinc/93/96/50/1038939650.db2.gz KEGVORLKFXNILP-BHIYHBOVSA-N 1 0 374.481 2.507 20 10 FFCDRO Cc1cc(C)c(C[NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001251351216 1039083661 /nfs/dbraw/zinc/08/36/61/1039083661.db2.gz MTHZZNAAUOPGMX-FQEVSTJZSA-N 1 0 364.486 2.861 20 10 FFCDRO COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC001537482459 1070192544 /nfs/dbraw/zinc/19/25/44/1070192544.db2.gz FORDDOUJUFOWID-IBGZPJMESA-N 1 0 373.472 2.862 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CC(C)(C)O)cc2)CC1 ZINC001252365358 1039513627 /nfs/dbraw/zinc/51/36/27/1039513627.db2.gz TYJNRFLOTPCKLF-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@]23CCN(CC(=O)C(C)(C)C)C3=O)c1O ZINC001276683620 1039528908 /nfs/dbraw/zinc/52/89/08/1039528908.db2.gz OAMZHWBYYNTIKL-OAQYLSRUSA-N 1 0 358.482 2.883 20 10 FFCDRO CCCCOC[C@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252524027 1039581008 /nfs/dbraw/zinc/58/10/08/1039581008.db2.gz LSYCWJUXPRJIRC-GOSISDBHSA-N 1 0 350.503 2.997 20 10 FFCDRO Fc1cc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2cc1-n1ccnc1 ZINC001247020560 1039583557 /nfs/dbraw/zinc/58/35/57/1039583557.db2.gz LXCQTENYNIXGOW-UHFFFAOYSA-N 1 0 362.412 2.964 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CC3(O)CC[NH2+]CC3)n2)cc1 ZINC001247716248 1039910948 /nfs/dbraw/zinc/91/09/48/1039910948.db2.gz DOROFNAOKRKYHN-UHFFFAOYSA-N 1 0 352.438 2.801 20 10 FFCDRO COc1cc(I)cc(C[N@H+](C)CCSC)c1O ZINC001248409233 1040258707 /nfs/dbraw/zinc/25/87/07/1040258707.db2.gz OVKLMYLFNMYLNI-UHFFFAOYSA-N 1 0 367.252 2.800 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC001254011037 1040513327 /nfs/dbraw/zinc/51/33/27/1040513327.db2.gz RUURAOHOYJDPPP-INIZCTEOSA-N 1 0 355.404 2.882 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)c(O)c1 ZINC001249173309 1040616291 /nfs/dbraw/zinc/61/62/91/1040616291.db2.gz TVGUNEZDWKYOPY-UHFFFAOYSA-N 1 0 373.449 2.799 20 10 FFCDRO COC(=O)c1ccc(O)c(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c1 ZINC001249821032 1041020490 /nfs/dbraw/zinc/02/04/90/1041020490.db2.gz LZPDZFTUUCQERA-UHFFFAOYSA-N 1 0 373.409 2.764 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)cc1Br ZINC001250136871 1041126092 /nfs/dbraw/zinc/12/60/92/1041126092.db2.gz ZZNHZZGNKZFNFL-WFASDCNBSA-N 1 0 367.287 2.906 20 10 FFCDRO Cc1cc(C[NH+]2CCC(c3nncn3C)CC2)c(O)cc1Br ZINC001250134157 1041126148 /nfs/dbraw/zinc/12/61/48/1041126148.db2.gz WUYQRUWYTPPSPT-UHFFFAOYSA-N 1 0 365.275 2.971 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3COCc4ccccc43)cc2F)CC1 ZINC001261376298 1041199008 /nfs/dbraw/zinc/19/90/08/1041199008.db2.gz MCJDIMNJGYZLEJ-HXUWFJFHSA-N 1 0 355.457 2.939 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4scnc4C)C[C@H]32)c(O)c1 ZINC001278578442 1041242538 /nfs/dbraw/zinc/24/25/38/1041242538.db2.gz RJQGSJUYVKJUPW-WMLDXEAASA-N 1 0 359.495 2.872 20 10 FFCDRO Cc1cn(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c2ccccc12 ZINC001261527631 1041293183 /nfs/dbraw/zinc/29/31/83/1041293183.db2.gz XKIZVQIMUQWHBJ-IBGZPJMESA-N 1 0 350.466 2.832 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179201230 1041437973 /nfs/dbraw/zinc/43/79/73/1041437973.db2.gz IKAGUGGGKBVNEX-IHPCNDPISA-N 1 0 358.482 2.829 20 10 FFCDRO CCO[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)C1CC1 ZINC001214643111 1041516606 /nfs/dbraw/zinc/51/66/06/1041516606.db2.gz DYJYQELNMDSWAW-ZTNFWEORSA-N 1 0 360.498 2.755 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](Cc3c(O)cccc3Cl)CC2)CCC1 ZINC001262378893 1041666853 /nfs/dbraw/zinc/66/68/53/1041666853.db2.gz NVWRZERRFGNHGM-UHFFFAOYSA-N 1 0 353.846 2.716 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C12CCC(CC1)[NH2+]2 ZINC001263090335 1042096669 /nfs/dbraw/zinc/09/66/69/1042096669.db2.gz IJJKJDVYPIQIEQ-UHFFFAOYSA-N 1 0 353.260 2.788 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001263093951 1042098510 /nfs/dbraw/zinc/09/85/10/1042098510.db2.gz REMJHXQZPQHQIZ-HXUWFJFHSA-N 1 0 359.514 2.779 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001279141471 1042916182 /nfs/dbraw/zinc/91/61/82/1042916182.db2.gz SLMGSIVHFFGRIQ-RCCFBDPRSA-N 1 0 354.450 2.653 20 10 FFCDRO O=c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)ccc2O)[nH]1 ZINC001279197987 1042942804 /nfs/dbraw/zinc/94/28/04/1042942804.db2.gz ZREVHZKRERJBIQ-AYHJJNSGSA-N 1 0 357.429 2.917 20 10 FFCDRO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1O ZINC001279234462 1042958574 /nfs/dbraw/zinc/95/85/74/1042958574.db2.gz RMJIDFNLVJZIRG-BETUJISGSA-N 1 0 369.303 2.937 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)c1O ZINC001279236184 1042959922 /nfs/dbraw/zinc/95/99/22/1042959922.db2.gz ZCINNZAQQGQQPY-OALUTQOASA-N 1 0 353.466 2.958 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Nc2cccnc2)C3)c(O)c1 ZINC001279338443 1043011174 /nfs/dbraw/zinc/01/11/74/1043011174.db2.gz LQLMDIPHOITRJM-UHFFFAOYSA-N 1 0 352.438 2.835 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)CCc2ccc[nH]2)c(O)c1 ZINC001279339138 1043011913 /nfs/dbraw/zinc/01/19/13/1043011913.db2.gz XGCPJYPVFBAFPL-OALUTQOASA-N 1 0 353.466 2.837 20 10 FFCDRO C[C@@H]1CCC[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1C ZINC001237204034 1043052342 /nfs/dbraw/zinc/05/23/42/1043052342.db2.gz XKYFUOGKBDANTB-IAGOWNOFSA-N 1 0 350.528 2.789 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[N@@H+]3CCCc4ccccc4C3)cc2)CC1 ZINC001237211434 1043054682 /nfs/dbraw/zinc/05/46/82/1043054682.db2.gz HAEWYNJONGFPCW-UHFFFAOYSA-N 1 0 370.518 2.870 20 10 FFCDRO COCCOCN1CCC2(C[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC001279437929 1043111213 /nfs/dbraw/zinc/11/12/13/1043111213.db2.gz SUKOREKRUOOTGZ-UHFFFAOYSA-N 1 0 356.466 2.674 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237382670 1043129577 /nfs/dbraw/zinc/12/95/77/1043129577.db2.gz MQBPPMGRBWEKBX-RISCZKNCSA-N 1 0 355.276 2.737 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cc(F)c(F)cc2O)c1 ZINC001237454060 1043175439 /nfs/dbraw/zinc/17/54/39/1043175439.db2.gz VJYKSWKVSYVYMA-QGZVFWFLSA-N 1 0 362.376 2.604 20 10 FFCDRO CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1c(C)cccc1O)CCC2 ZINC001237488825 1043202793 /nfs/dbraw/zinc/20/27/93/1043202793.db2.gz RQJWTPBYARUWHN-UHFFFAOYSA-N 1 0 370.497 2.505 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)[C@@H]2C1 ZINC001279514482 1043209795 /nfs/dbraw/zinc/20/97/95/1043209795.db2.gz SNFIOHQUDATYAV-XJKSGUPXSA-N 1 0 374.403 2.538 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]4(CN(C)CCO4)C3)c2c1 ZINC001279537394 1043234413 /nfs/dbraw/zinc/23/44/13/1043234413.db2.gz OGVFUUPZFMVEJY-NRFANRHFSA-N 1 0 356.466 2.851 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)cc1Cl ZINC001279572193 1043276163 /nfs/dbraw/zinc/27/61/63/1043276163.db2.gz XMEIEUMJPPQEMG-LPHOPBHVSA-N 1 0 366.889 2.882 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1Br ZINC001237682312 1043308712 /nfs/dbraw/zinc/30/87/12/1043308712.db2.gz QUDULZDPVFLYOL-UHFFFAOYSA-N 1 0 355.232 2.538 20 10 FFCDRO Cc1cc(O)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cc1Br ZINC001237684511 1043311257 /nfs/dbraw/zinc/31/12/57/1043311257.db2.gz LZZBEJFKGKMNKD-HNNXBMFYSA-N 1 0 369.303 2.760 20 10 FFCDRO C[N@@H+]1CC[C@]2(CCN(Cc3cccc(I)c3O)C2)C1 ZINC001237782802 1043355047 /nfs/dbraw/zinc/35/50/47/1043355047.db2.gz IJTKYXAFXFFABE-HNNXBMFYSA-N 1 0 372.250 2.524 20 10 FFCDRO [NH3+]C1CN(c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001237813908 1043375426 /nfs/dbraw/zinc/37/54/26/1043375426.db2.gz QYPVGXFFOXZAPR-UHFFFAOYSA-N 1 0 372.277 2.942 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)c(O)c1 ZINC001279663712 1043425531 /nfs/dbraw/zinc/42/55/31/1043425531.db2.gz BRCVYFWERBMWQO-KDURUIRLSA-N 1 0 353.466 2.904 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001279668018 1043434271 /nfs/dbraw/zinc/43/42/71/1043434271.db2.gz SVCDXAZFXCQHGC-UHFFFAOYSA-N 1 0 356.470 2.530 20 10 FFCDRO COCCOCN1CC2(C1)CCC[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001279685139 1043466041 /nfs/dbraw/zinc/46/60/41/1043466041.db2.gz VNAOQMGESBHXOD-UHFFFAOYSA-N 1 0 372.868 2.703 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1O ZINC001238060814 1043508383 /nfs/dbraw/zinc/50/83/83/1043508383.db2.gz JLBBFYSZDRFTKV-ZWKOTPCHSA-N 1 0 355.413 2.610 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1O ZINC001238060813 1043509532 /nfs/dbraw/zinc/50/95/32/1043509532.db2.gz JLBBFYSZDRFTKV-QZTJIDSGSA-N 1 0 355.413 2.610 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N4C[C@H](C)O[C@@H](C)C4)(C2)C3)cc1C ZINC001279734252 1043553918 /nfs/dbraw/zinc/55/39/18/1043553918.db2.gz XTOMGTCJAFDFPS-RKAKKKFESA-N 1 0 358.482 2.652 20 10 FFCDRO Cc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)[O-])cc1 ZINC000756283009 1043568559 /nfs/dbraw/zinc/56/85/59/1043568559.db2.gz XPJYSJPLUOIWQQ-FQEVSTJZSA-N 1 0 353.466 2.662 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)N(C)C)cc1 ZINC001279742858 1043571044 /nfs/dbraw/zinc/57/10/44/1043571044.db2.gz DVIKVQPNXLLNSW-GOSISDBHSA-N 1 0 361.555 2.929 20 10 FFCDRO O=S(=O)(N[C@H]1C[C@@H]2C[NH2+]C[C@@H]21)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238504309 1043750294 /nfs/dbraw/zinc/75/02/94/1043750294.db2.gz KYVBNKGKXHXQTO-ZNPBYRPTSA-N 1 0 356.451 2.988 20 10 FFCDRO O=C(N1CCCCO1)C12CC([NH2+]Cc3ccc(N4CCCC4)cc3)(C1)C2 ZINC001279859224 1043783704 /nfs/dbraw/zinc/78/37/04/1043783704.db2.gz JGGFLQFDNNXZAX-UHFFFAOYSA-N 1 0 355.482 2.853 20 10 FFCDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001311743420 1043970693 /nfs/dbraw/zinc/97/06/93/1043970693.db2.gz BXRTVUXTCKECLB-INIZCTEOSA-N 1 0 350.482 2.763 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2O)CC3)C[C@@H](C)O1 ZINC001279968242 1044001497 /nfs/dbraw/zinc/00/14/97/1044001497.db2.gz IJJHGYGQOLYJOO-NUJGCVRESA-N 1 0 358.482 2.630 20 10 FFCDRO O=C(Nc1cccc2c1OCO2)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001279969164 1044005685 /nfs/dbraw/zinc/00/56/85/1044005685.db2.gz VSQCBLYQPCVQOP-UHFFFAOYSA-N 1 0 352.390 2.772 20 10 FFCDRO COc1cccc(C[NH2+]C23CC(C(=O)Nc4onc(C)c4C)(C2)C3)c1O ZINC001279975294 1044018899 /nfs/dbraw/zinc/01/88/99/1044018899.db2.gz DORCMVDQZUVASX-UHFFFAOYSA-N 1 0 357.410 2.657 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCC(F)F)C2)c(Cl)c1 ZINC001280042806 1044126145 /nfs/dbraw/zinc/12/61/45/1044126145.db2.gz IGSAHWZXSKBPKC-SJKOYZFVSA-N 1 0 357.832 2.609 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C2CC(F)(F)C2)c(O)c1 ZINC001280046498 1044132473 /nfs/dbraw/zinc/13/24/73/1044132473.db2.gz LIZDLWNLAOGOKJ-KUHUBIRLSA-N 1 0 350.409 2.921 20 10 FFCDRO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2)N1CCCCO1 ZINC001280099210 1044205245 /nfs/dbraw/zinc/20/52/45/1044205245.db2.gz SMQYYVWODGNHRI-FXAWDEMLSA-N 1 0 360.454 2.644 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@]2(C)CCO[C@H]2C2CC2)[NH+](C)C)cc1 ZINC001313420056 1044352932 /nfs/dbraw/zinc/35/29/32/1044352932.db2.gz WKXUNCFWNQCXSE-ZJOUEHCJSA-N 1 0 374.529 2.612 20 10 FFCDRO CC(C)(C)NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC001280312266 1044586304 /nfs/dbraw/zinc/58/63/04/1044586304.db2.gz CBHDCSVPUQYEAW-PIGZYNQJSA-N 1 0 367.287 2.891 20 10 FFCDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319835914 1045282510 /nfs/dbraw/zinc/28/25/10/1045282510.db2.gz GXGMGJOPIHVGND-FQEVSTJZSA-N 1 0 371.500 2.925 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001318408556 1045293652 /nfs/dbraw/zinc/29/36/52/1045293652.db2.gz COTBDZRWOJRGSK-VQTJNVASSA-N 1 0 374.529 2.836 20 10 FFCDRO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001324018020 1045824509 /nfs/dbraw/zinc/82/45/09/1045824509.db2.gz XUERVWWIGUZJCK-UHFFFAOYSA-N 1 0 371.510 2.989 20 10 FFCDRO CC[NH+](CC)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC001322148539 1045969293 /nfs/dbraw/zinc/96/92/93/1045969293.db2.gz OZNUAXNKUQUHPU-UHFFFAOYSA-N 1 0 350.482 2.908 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3Cc4cccc(O)c4C3)cc2F)CC1 ZINC001324592874 1046117701 /nfs/dbraw/zinc/11/77/01/1046117701.db2.gz RXJNEWSBCXGTOU-QGZVFWFLSA-N 1 0 355.457 2.540 20 10 FFCDRO CN1CCN(c2ccc(CNc3ccc(OCC[NH3+])cc3)cc2F)CC1 ZINC001325272839 1046446582 /nfs/dbraw/zinc/44/65/82/1046446582.db2.gz NRZIPKMYEBOANT-UHFFFAOYSA-N 1 0 358.461 2.527 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc4ccoc43)cc2)CC1 ZINC001327096550 1047186728 /nfs/dbraw/zinc/18/67/28/1047186728.db2.gz WUDVTIIZKHIDOM-UHFFFAOYSA-N 1 0 370.474 2.957 20 10 FFCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)CO2 ZINC001327239596 1047249331 /nfs/dbraw/zinc/24/93/31/1047249331.db2.gz YNOAMLSEKFWUNS-SFHVURJKSA-N 1 0 368.477 2.750 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1F ZINC001331518838 1047981944 /nfs/dbraw/zinc/98/19/44/1047981944.db2.gz KPIPFSAWHQTDBB-ROUUACIJSA-N 1 0 353.457 2.764 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2F)CC1 ZINC001331966693 1048189972 /nfs/dbraw/zinc/18/99/72/1048189972.db2.gz UCQXRRYOOWFPRB-GHTZIAJQSA-N 1 0 361.505 2.872 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)C2)cc1 ZINC001329153291 1048597451 /nfs/dbraw/zinc/59/74/51/1048597451.db2.gz XESLOMJMYVNXPK-INIZCTEOSA-N 1 0 364.449 2.908 20 10 FFCDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001329730082 1048877438 /nfs/dbraw/zinc/87/74/38/1048877438.db2.gz DREPTGHSQGEWSK-OLZOCXBDSA-N 1 0 355.429 2.987 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cn4ccnc4s3)cc2)CC1 ZINC001333667589 1049040786 /nfs/dbraw/zinc/04/07/86/1049040786.db2.gz HJYUONPFYJHBTD-UHFFFAOYSA-N 1 0 356.495 2.894 20 10 FFCDRO CC[C@@H]1[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC001292382331 1049330810 /nfs/dbraw/zinc/33/08/10/1049330810.db2.gz QRUQDOWNIGBJSC-PCCBWWKXSA-N 1 0 373.541 2.991 20 10 FFCDRO CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001295119948 1049884679 /nfs/dbraw/zinc/88/46/79/1049884679.db2.gz VGJBOYKSCRWETB-FNEOHHHZSA-N 1 0 371.525 2.552 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001341502695 1050143376 /nfs/dbraw/zinc/14/33/76/1050143376.db2.gz OKNFSSBPAPHZBC-VXGBXAGGSA-N 1 0 355.276 2.749 20 10 FFCDRO C[C@H](NC(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC001341677794 1050299369 /nfs/dbraw/zinc/29/93/69/1050299369.db2.gz SSTURIYNCLVJRC-NBHGPNQESA-N 1 0 357.498 2.623 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CC)c1ccc(F)cc1)cc2=O ZINC001342228296 1050819336 /nfs/dbraw/zinc/81/93/36/1050819336.db2.gz IXWSEZLKFZUBHB-INIZCTEOSA-N 1 0 372.400 2.992 20 10 FFCDRO Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001542226924 1071193205 /nfs/dbraw/zinc/19/32/05/1071193205.db2.gz NDDFFENSARYWBW-UHFFFAOYSA-N 1 0 370.545 2.787 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])Cc1ccc2cc[nH]c2c1 ZINC001340873894 1051206121 /nfs/dbraw/zinc/20/61/21/1051206121.db2.gz VODGZLWPXOZFHO-IBGZPJMESA-N 1 0 350.466 2.729 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3OCCc4ccccc43)cc2F)CC1 ZINC001308262239 1052438564 /nfs/dbraw/zinc/43/85/64/1052438564.db2.gz KFUROBPBKDWUQZ-JOCHJYFZSA-N 1 0 369.484 2.981 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](CO)c3cccc(F)c3)cc2F)CC1 ZINC001308263772 1052439415 /nfs/dbraw/zinc/43/94/15/1052439415.db2.gz VGKOFDICXQGUCX-LJQANCHMSA-N 1 0 361.436 2.540 20 10 FFCDRO Cc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)c(O)c1 ZINC001308569014 1052470806 /nfs/dbraw/zinc/47/08/06/1052470806.db2.gz XIHKYLZKUYHQDA-FQEVSTJZSA-N 1 0 365.477 2.624 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc2)CC1 ZINC001308627932 1052479347 /nfs/dbraw/zinc/47/93/47/1052479347.db2.gz QZRPWTJAVCLIOY-GOSISDBHSA-N 1 0 352.482 2.817 20 10 FFCDRO CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2c[nH+]cn2c1C ZINC001345629000 1052546036 /nfs/dbraw/zinc/54/60/36/1052546036.db2.gz KPEPKVQNHGXPCN-UHFFFAOYSA-N 1 0 367.405 2.554 20 10 FFCDRO CC[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC001345781368 1052610511 /nfs/dbraw/zinc/61/05/11/1052610511.db2.gz SXHMKVPFPFBEAB-KUHUBIRLSA-N 1 0 367.440 2.763 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3COc4ccccc43)cc2F)CC1 ZINC001346910825 1053433785 /nfs/dbraw/zinc/43/37/85/1053433785.db2.gz HCLBACBHNGMMIM-QGZVFWFLSA-N 1 0 355.457 2.843 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000848911108 1055350766 /nfs/dbraw/zinc/35/07/66/1055350766.db2.gz QHGAGYAMWPBPAS-ZWKOTPCHSA-N 1 0 362.470 2.824 20 10 FFCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]1CCCC2 ZINC000848921000 1055368955 /nfs/dbraw/zinc/36/89/55/1055368955.db2.gz NRFPFQPOSQPABE-WIYYLYMNSA-N 1 0 358.482 2.688 20 10 FFCDRO COC[C@@H](COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)OC ZINC001350064533 1055602482 /nfs/dbraw/zinc/60/24/82/1055602482.db2.gz CQAKPXZZXOVKFD-INIZCTEOSA-N 1 0 374.481 2.612 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1F ZINC001351508878 1056299151 /nfs/dbraw/zinc/29/91/51/1056299151.db2.gz VVPKGMRFUIKVQM-BEFAXECRSA-N 1 0 350.409 2.605 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC001351511027 1056301407 /nfs/dbraw/zinc/30/14/07/1056301407.db2.gz KDTADGIKIPXNHV-WBMJQRKESA-N 1 0 370.287 2.812 20 10 FFCDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001353668100 1056621844 /nfs/dbraw/zinc/62/18/44/1056621844.db2.gz XGKPNIAUQYWDIG-GUXCAODWSA-N 1 0 356.466 2.698 20 10 FFCDRO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000849230054 1056804335 /nfs/dbraw/zinc/80/43/35/1056804335.db2.gz AASZQPUPBNFQMM-DYESRHJHSA-N 1 0 367.493 2.785 20 10 FFCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(OC)c(OC)cc2O)cc1 ZINC000849349865 1056835803 /nfs/dbraw/zinc/83/58/03/1056835803.db2.gz MCXVPOFWMMNNPK-ROUUACIJSA-N 1 0 372.465 2.653 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001444722769 1058328240 /nfs/dbraw/zinc/32/82/40/1058328240.db2.gz RCLPECWJOGKZNK-MRXNPFEDSA-N 1 0 367.493 2.907 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2onc3ccccc32)[NH+](C)C)cc1 ZINC001456930545 1060231624 /nfs/dbraw/zinc/23/16/24/1060231624.db2.gz HWXZFDMGAUSAAO-GOSISDBHSA-N 1 0 352.438 2.927 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001091157590 1060813965 /nfs/dbraw/zinc/81/39/65/1060813965.db2.gz YXYXQLPUTLZAEE-GMNCBBECSA-N 1 0 360.498 2.803 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001521850850 1061169335 /nfs/dbraw/zinc/16/93/35/1061169335.db2.gz AGLZKULSRORRKO-UHFFFAOYSA-N 1 0 358.438 2.748 20 10 FFCDRO COc1ccsc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001461088634 1061207430 /nfs/dbraw/zinc/20/74/30/1061207430.db2.gz YYZWOTKOUUYUFY-OAHLLOKOSA-N 1 0 359.495 2.748 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+]Cc2ccc3c(c2)CCCO3)cc(OC)c1 ZINC001461263833 1061272434 /nfs/dbraw/zinc/27/24/34/1061272434.db2.gz PYJUHUNUBZVPMF-SFHVURJKSA-N 1 0 371.477 2.970 20 10 FFCDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CCC1 ZINC001461997840 1061473983 /nfs/dbraw/zinc/47/39/83/1061473983.db2.gz NQXWJWNJBOSAOD-UHFFFAOYSA-N 1 0 357.454 2.763 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CCCONC(=O)OC(C)(C)C)c1O ZINC001462617886 1061693850 /nfs/dbraw/zinc/69/38/50/1061693850.db2.gz NSTVWNIPVITFSK-UHFFFAOYSA-N 1 0 360.838 2.990 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)[nH]c1C ZINC001462655042 1061708469 /nfs/dbraw/zinc/70/84/69/1061708469.db2.gz YERKNYMBILBEJQ-LJQANCHMSA-N 1 0 358.486 2.568 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCCC23OCCO3)cc1Cn1cccn1 ZINC001462667545 1061715496 /nfs/dbraw/zinc/71/54/96/1061715496.db2.gz SJQFAIIGNAZNFT-LJQANCHMSA-N 1 0 357.454 2.715 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCCc2ccsc2)[NH+](C)C)cc1 ZINC001478246256 1061953488 /nfs/dbraw/zinc/95/34/88/1061953488.db2.gz MCLWKMIMIKXNPL-SFHVURJKSA-N 1 0 360.527 2.959 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000771647571 1061974605 /nfs/dbraw/zinc/97/46/05/1061974605.db2.gz AVIPNUBTJXANOP-HXUWFJFHSA-N 1 0 355.482 2.671 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2Cc3ccccc3C2)[NH+](C)C)cc1 ZINC001478393071 1062000563 /nfs/dbraw/zinc/00/05/63/1062000563.db2.gz XOTKLKIZMFEMRB-NRFANRHFSA-N 1 0 366.509 2.822 20 10 FFCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001468764094 1064034081 /nfs/dbraw/zinc/03/40/81/1064034081.db2.gz MRBYGJCFHVGKJN-SFHVURJKSA-N 1 0 362.518 2.647 20 10 FFCDRO COc1ccc(CN2CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876577 1064222533 /nfs/dbraw/zinc/22/25/33/1064222533.db2.gz HTWAYXMPSHIPDC-KRWDZBQOSA-N 1 0 360.841 2.945 20 10 FFCDRO COc1ccc(CN2CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876578 1064222591 /nfs/dbraw/zinc/22/25/91/1064222591.db2.gz HTWAYXMPSHIPDC-QGZVFWFLSA-N 1 0 360.841 2.945 20 10 FFCDRO CCO[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC001471545325 1064711794 /nfs/dbraw/zinc/71/17/94/1064711794.db2.gz QUDNEWSLORDNBQ-MOPGFXCFSA-N 1 0 362.518 2.566 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1O ZINC001473724948 1065334857 /nfs/dbraw/zinc/33/48/57/1065334857.db2.gz XCYMXULTKZKHJA-OAHLLOKOSA-N 1 0 357.429 2.531 20 10 FFCDRO COC(=O)c1sccc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001474742805 1065595373 /nfs/dbraw/zinc/59/53/73/1065595373.db2.gz ZGNINMZQNYEYQO-KRWDZBQOSA-N 1 0 361.511 2.993 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(F)cc1 ZINC001474746655 1065596693 /nfs/dbraw/zinc/59/66/93/1065596693.db2.gz AGOBBUPDDLJPSO-CQSZACIVSA-N 1 0 350.346 2.925 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(O)CCCC(C)(C)C2)[NH+](C)C)cc1 ZINC001558723508 1076063281 /nfs/dbraw/zinc/06/32/81/1076063281.db2.gz QEWRHFCHAHFWLX-WIYYLYMNSA-N 1 0 361.530 2.803 20 10 FFCDRO Cc1cc(F)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1N ZINC001558723090 1076063508 /nfs/dbraw/zinc/06/35/08/1076063508.db2.gz GUEOYSWZXBLHDU-SFHVURJKSA-N 1 0 358.461 2.815 20 10 FFCDRO Cc1nc(N2CC[NH+](Cc3ccc(N4CCCCC4)c(C)c3)CC2)n[nH]1 ZINC001560103022 1076227146 /nfs/dbraw/zinc/22/71/46/1076227146.db2.gz FDXPMJQTOQZLCY-UHFFFAOYSA-N 1 0 354.502 2.734 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CS1 ZINC001564923472 1076670511 /nfs/dbraw/zinc/67/05/11/1076670511.db2.gz QBWBZAPWDJIRJA-UNEWFSDZSA-N 1 0 350.532 2.549 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@@H]4CCCC[C@H]34)cc2)CC1 ZINC001565273165 1076707875 /nfs/dbraw/zinc/70/78/75/1076707875.db2.gz ONYIUDGSHAZOKN-YSIASYRMSA-N 1 0 356.514 2.816 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)cc1 ZINC001566562713 1076968778 /nfs/dbraw/zinc/96/87/78/1076968778.db2.gz MYIQSIKKHWAZIT-HXUWFJFHSA-N 1 0 359.514 2.854 20 10 FFCDRO CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001586060127 1079537960 /nfs/dbraw/zinc/53/79/60/1079537960.db2.gz DFGFZELOGROPPS-PMACEKPBSA-N 1 0 373.472 2.998 20 10 FFCDRO CO/C(=C\c1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001589178695 1080398177 /nfs/dbraw/zinc/39/81/77/1080398177.db2.gz GYMARFBQLJUTGY-PGMHBOJBSA-N 1 0 365.477 2.742 20 10 FFCDRO C[C@H]([NH2+]C1CCN(c2ccccc2-c2nn[nH]n2)CC1)c1ccccc1O ZINC001589955723 1080901245 /nfs/dbraw/zinc/90/12/45/1080901245.db2.gz LUDDMZWMDIFSSQ-AWEZNQCLSA-N 1 0 364.453 2.892 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000066859092 506670230 /nfs/dbraw/zinc/67/02/30/506670230.db2.gz IZCPOHWASHVEKW-UHFFFAOYSA-N 1 0 362.495 2.791 20 10 FFCDRO Cc1cc(NC(=O)CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000109761459 507985502 /nfs/dbraw/zinc/98/55/02/507985502.db2.gz MXZXUUDMKKXRGG-INIZCTEOSA-N 1 0 359.426 2.698 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000092704692 508095821 /nfs/dbraw/zinc/09/58/21/508095821.db2.gz JJXMMPVKHOHTQR-MRXNPFEDSA-N 1 0 359.401 2.936 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(=O)NCc1ccco1 ZINC000111399335 508096933 /nfs/dbraw/zinc/09/69/33/508096933.db2.gz HQHPQNWUDREXBF-SNVBAGLBSA-N 1 0 353.216 2.542 20 10 FFCDRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1c(O)cccc1Cl)C(F)(F)F ZINC000113326548 508260849 /nfs/dbraw/zinc/26/08/49/508260849.db2.gz GHQFRMLOLWYIQC-AWEZNQCLSA-N 1 0 363.767 2.709 20 10 FFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCCCCC2)cc1 ZINC000153189226 508556758 /nfs/dbraw/zinc/55/67/58/508556758.db2.gz PDYOADGKDNZROD-KRWDZBQOSA-N 1 0 359.514 3.000 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccccn3)CC2)cc1 ZINC000158515232 508715345 /nfs/dbraw/zinc/71/53/45/508715345.db2.gz RBKFDLITLSUASR-GOSISDBHSA-N 1 0 354.498 2.953 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000119311378 508770807 /nfs/dbraw/zinc/77/08/07/508770807.db2.gz FWKVXPNTJCIJJW-MUPIXQSSSA-N 1 0 371.525 2.631 20 10 FFCDRO COc1cc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1OC ZINC000182660436 509355524 /nfs/dbraw/zinc/35/55/24/509355524.db2.gz KOHZETULWGGCRZ-UHFFFAOYSA-N 1 0 350.459 2.584 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189061527 509392525 /nfs/dbraw/zinc/39/25/25/509392525.db2.gz LHMRDANWTUHWKF-SCLBCKFNSA-N 1 0 358.413 2.992 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000186030355 509489572 /nfs/dbraw/zinc/48/95/72/509489572.db2.gz YISOODCKGMBPJI-UWVGGRQHSA-N 1 0 350.278 2.629 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000186103119 509523226 /nfs/dbraw/zinc/52/32/26/509523226.db2.gz IVQJADAHPMOZFQ-XJKSGUPXSA-N 1 0 356.470 2.675 20 10 FFCDRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000264691074 509650111 /nfs/dbraw/zinc/65/01/11/509650111.db2.gz HJUWHMDWKZHSBW-ZDUSSCGKSA-N 1 0 371.437 2.818 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268162705 509788559 /nfs/dbraw/zinc/78/85/59/509788559.db2.gz PAEHSYIHIBVLHX-LZQZEXGQSA-N 1 0 373.497 2.566 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000174186219 509991685 /nfs/dbraw/zinc/99/16/85/509991685.db2.gz OHIUAJXESFEBBI-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268987738 510176839 /nfs/dbraw/zinc/17/68/39/510176839.db2.gz QNRZRSHMOBABIH-KXBFYZLASA-N 1 0 367.534 2.750 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000269044048 510208876 /nfs/dbraw/zinc/20/88/76/510208876.db2.gz UNMKXNTZTXYERP-FUHWJXTLSA-N 1 0 365.543 2.752 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000266053528 510381260 /nfs/dbraw/zinc/38/12/60/510381260.db2.gz ZISVNRDMJGWAQU-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000269639810 510495387 /nfs/dbraw/zinc/49/53/87/510495387.db2.gz XGJXLMNBAVXKMW-OAHLLOKOSA-N 1 0 354.454 2.812 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(F)c1[O-] ZINC000191196504 510544406 /nfs/dbraw/zinc/54/44/06/510544406.db2.gz DPEJJOIOUSLELH-CYBMUJFWSA-N 1 0 362.424 2.668 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1OC ZINC000182147229 510781106 /nfs/dbraw/zinc/78/11/06/510781106.db2.gz LSAARXDGWIXAQL-UHFFFAOYSA-N 1 0 364.486 2.534 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(O)c1 ZINC000185341014 510813423 /nfs/dbraw/zinc/81/34/23/510813423.db2.gz NHWGOZLHIPOJEB-FXAWDEMLSA-N 1 0 368.477 2.821 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000282289486 510916653 /nfs/dbraw/zinc/91/66/53/510916653.db2.gz BWAYCJBAIPPHEE-CVEARBPZSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1OC ZINC000275845984 510918660 /nfs/dbraw/zinc/91/86/60/510918660.db2.gz QWJWDQHPWLNLRL-PBHICJAKSA-N 1 0 367.471 2.628 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276752643 510945933 /nfs/dbraw/zinc/94/59/33/510945933.db2.gz FUHSYFVDPAJMML-CQSZACIVSA-N 1 0 353.260 2.660 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(O)c1C ZINC000276895509 510947989 /nfs/dbraw/zinc/94/79/89/510947989.db2.gz MTZZSIYYPJFNNI-OAHLLOKOSA-N 1 0 363.479 2.626 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278268333 510986583 /nfs/dbraw/zinc/98/65/83/510986583.db2.gz DVXFUDVAEPDRMF-QGZVFWFLSA-N 1 0 367.497 2.749 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000278550302 510999258 /nfs/dbraw/zinc/99/92/58/510999258.db2.gz YYTVVYKGSILHJX-GXTWGEPZSA-N 1 0 364.442 2.999 20 10 FFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297613974 511009911 /nfs/dbraw/zinc/00/99/11/511009911.db2.gz IRJWXFODGXJWTG-AEFFLSMTSA-N 1 0 352.482 2.575 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(=O)[nH]n1 ZINC000285935594 511016603 /nfs/dbraw/zinc/01/66/03/511016603.db2.gz FMCCPUKXXPFONF-OLZOCXBDSA-N 1 0 364.396 2.691 20 10 FFCDRO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287162547 511042900 /nfs/dbraw/zinc/04/29/00/511042900.db2.gz BTTXNPXRCZGNKU-KBPBESRZSA-N 1 0 373.409 2.962 20 10 FFCDRO COc1cc(O)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1OC ZINC000271068777 511074324 /nfs/dbraw/zinc/07/43/24/511074324.db2.gz DJFOBJQKPMEXDX-UHFFFAOYSA-N 1 0 356.422 2.673 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000288484134 511077434 /nfs/dbraw/zinc/07/74/34/511077434.db2.gz GRPGFTWYEAIONK-CZUORRHYSA-N 1 0 350.212 2.739 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000294771288 511171770 /nfs/dbraw/zinc/17/17/70/511171770.db2.gz MXEFUUMMBFMJKW-MRXNPFEDSA-N 1 0 364.536 2.909 20 10 FFCDRO CC[N@H+](Cc1ccc(OC)nn1)Cc1cc(Br)ccc1O ZINC000283066670 511221050 /nfs/dbraw/zinc/22/10/50/511221050.db2.gz JUGOGBDUTKMBQD-UHFFFAOYSA-N 1 0 352.232 2.975 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[NH+](C4CCOCC4)CC3)cc2)CC1 ZINC000295024447 511255396 /nfs/dbraw/zinc/25/53/96/511255396.db2.gz MKOZWBNMINZSIS-UHFFFAOYSA-N 1 0 373.541 2.598 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1O ZINC000283169445 511262889 /nfs/dbraw/zinc/26/28/89/511262889.db2.gz YVLLAGKQEAPAMO-PXAZEXFGSA-N 1 0 355.862 2.712 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnccc3C)CC2)cc1 ZINC000280003615 511299231 /nfs/dbraw/zinc/29/92/31/511299231.db2.gz RZZPKRQCBCQLIQ-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@@H]3CCC(=O)NC34CCC4)cc2)CC1 ZINC000295148704 511299423 /nfs/dbraw/zinc/29/94/23/511299423.db2.gz FSRYVPCNIQALDX-LJQANCHMSA-N 1 0 357.498 2.593 20 10 FFCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1OC(F)(F)F ZINC000280337499 511426916 /nfs/dbraw/zinc/42/69/16/511426916.db2.gz RSLPZQXGIIIPFG-GFCCVEGCSA-N 1 0 371.311 2.843 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000283619341 511437477 /nfs/dbraw/zinc/43/74/77/511437477.db2.gz AMBVYUOTJJPJFH-UHFFFAOYSA-N 1 0 363.502 2.815 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000280470596 511478501 /nfs/dbraw/zinc/47/85/01/511478501.db2.gz YOVPDFRVUUKTIE-OAHLLOKOSA-N 1 0 370.449 2.894 20 10 FFCDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000272352174 511492278 /nfs/dbraw/zinc/49/22/78/511492278.db2.gz YIHPLLZDLSHTQK-CHWSQXEVSA-N 1 0 364.442 2.856 20 10 FFCDRO CC(C)N1CCc2nc(NC(=O)/C=C/c3ccc(O)c(O)c3)sc2C1 ZINC000273137263 511517830 /nfs/dbraw/zinc/51/78/30/511517830.db2.gz WMONXTKUPQVKRI-GQCTYLIASA-N 1 0 359.451 2.973 20 10 FFCDRO Cc1nc([C@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000299243713 511563740 /nfs/dbraw/zinc/56/37/40/511563740.db2.gz JGAKNVWNMVGPIR-GOSISDBHSA-N 1 0 358.511 2.971 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nc(C)oc3C)cc2F)CC1 ZINC000292582168 511651008 /nfs/dbraw/zinc/65/10/08/511651008.db2.gz AVGOHIRKKVTIAX-UHFFFAOYSA-N 1 0 360.433 2.502 20 10 FFCDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000280927756 511657145 /nfs/dbraw/zinc/65/71/45/511657145.db2.gz FCSDARSSARGGTC-BSEYFRJRSA-N 1 0 354.491 2.614 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000301725662 511702234 /nfs/dbraw/zinc/70/22/34/511702234.db2.gz UWHIPNWFQXRCMZ-CGMDNHBQSA-N 1 0 359.426 2.702 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC000281416444 511839848 /nfs/dbraw/zinc/83/98/48/511839848.db2.gz YQTKWSBLCWNMLZ-UHFFFAOYSA-N 1 0 360.376 2.681 20 10 FFCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000363908121 511843513 /nfs/dbraw/zinc/84/35/13/511843513.db2.gz NNQXDFMNAVAADR-SFHVURJKSA-N 1 0 369.469 2.502 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000363913170 511846967 /nfs/dbraw/zinc/84/69/67/511846967.db2.gz GTQTUOLKSMOBIY-CEXWTWQISA-N 1 0 373.497 2.710 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c(O)c1C ZINC000284851727 511899524 /nfs/dbraw/zinc/89/95/24/511899524.db2.gz OZRQJIRZKXUKPF-ZSZQSSIHSA-N 1 0 356.470 2.755 20 10 FFCDRO c1ccc2c(c1)OC1(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C1)O2 ZINC000377835951 512475592 /nfs/dbraw/zinc/47/55/92/512475592.db2.gz XSMWSMURCZGZPN-UHFFFAOYSA-N 1 0 352.434 2.897 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC000369601224 512506636 /nfs/dbraw/zinc/50/66/36/512506636.db2.gz YQNIAZUGNFGQOM-OXJNMPFZSA-N 1 0 356.466 2.780 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000368161521 512826956 /nfs/dbraw/zinc/82/69/56/512826956.db2.gz PBHWKLPDVFVTNH-LJQANCHMSA-N 1 0 360.498 2.541 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000374494250 512859012 /nfs/dbraw/zinc/85/90/12/512859012.db2.gz CUCIZEYSCUYKTG-RIFZZMRRSA-N 1 0 364.461 2.651 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000490086619 515096654 /nfs/dbraw/zinc/09/66/54/515096654.db2.gz IVGKDEGLIDWYOG-QGZVFWFLSA-N 1 0 355.482 2.871 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCO1 ZINC000823731940 606751658 /nfs/dbraw/zinc/75/16/58/606751658.db2.gz HNUWZJSMLJJEHY-KRWDZBQOSA-N 1 0 365.437 2.754 20 10 FFCDRO CCC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1O ZINC000825323497 608657647 /nfs/dbraw/zinc/65/76/47/608657647.db2.gz WXBSXHQIHPZCRN-UHFFFAOYSA-N 1 0 363.425 2.632 20 10 FFCDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000898398108 735354924 /nfs/dbraw/zinc/35/49/24/735354924.db2.gz CBZIBZVTWLEFPC-QHCPKHFHSA-N 1 0 359.923 2.832 20 10 FFCDRO CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1cc(Br)ccc1O ZINC000036933206 727932106 /nfs/dbraw/zinc/93/21/06/727932106.db2.gz RIVDVTXRLKBLIJ-IUODEOHRSA-N 1 0 357.292 2.916 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000061002593 728123479 /nfs/dbraw/zinc/12/34/79/728123479.db2.gz FITLBYOJNYUXLD-LJQANCHMSA-N 1 0 358.507 2.990 20 10 FFCDRO CC[N@H+](CC(=O)NCC1CCC1)Cc1cc(Br)ccc1O ZINC000076118595 728255489 /nfs/dbraw/zinc/25/54/89/728255489.db2.gz MUSIEFRAELXNLB-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(OC(C)=O)CC2)c1O ZINC000093453782 728476250 /nfs/dbraw/zinc/47/62/50/728476250.db2.gz CPTWDQXLVYSHNR-UHFFFAOYSA-N 1 0 358.232 2.691 20 10 FFCDRO CCCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000102010459 728488774 /nfs/dbraw/zinc/48/87/74/728488774.db2.gz QFHWSOPSENXYQK-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccsc3)cc2F)CC1 ZINC000106702351 728511563 /nfs/dbraw/zinc/51/15/63/728511563.db2.gz STMMRGBUWCKRSZ-UHFFFAOYSA-N 1 0 361.486 2.888 20 10 FFCDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000121243437 728622771 /nfs/dbraw/zinc/62/27/71/728622771.db2.gz XJBHFEVCOLAXFU-INIZCTEOSA-N 1 0 353.532 2.657 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000130122212 728715301 /nfs/dbraw/zinc/71/53/01/728715301.db2.gz ZODYZBQRHWAXAU-ZIAGYGMSSA-N 1 0 356.561 2.997 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000131887182 728723187 /nfs/dbraw/zinc/72/31/87/728723187.db2.gz CMGLCURBADAZRD-HNNXBMFYSA-N 1 0 361.511 2.653 20 10 FFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000165422061 728973099 /nfs/dbraw/zinc/97/30/99/728973099.db2.gz BENZSLKRTLRRAG-FUHWJXTLSA-N 1 0 361.555 2.882 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000182408847 729276968 /nfs/dbraw/zinc/27/69/68/729276968.db2.gz XTWDKFSBJQCEBW-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000183415158 729303606 /nfs/dbraw/zinc/30/36/06/729303606.db2.gz SSOYYBCLOZHOQW-UHFFFAOYSA-N 1 0 356.495 2.631 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000186024761 729359372 /nfs/dbraw/zinc/35/93/72/729359372.db2.gz HEMFXQPNCJGNPH-NSHDSACASA-N 1 0 350.365 2.760 20 10 FFCDRO CCOCc1cc(C[NH2+][C@]2(CO)C[C@@H](OCC)C2(C)C)ccc1OC ZINC000186576573 729366784 /nfs/dbraw/zinc/36/67/84/729366784.db2.gz HMWUJDDGUVWTPC-QUCCMNQESA-N 1 0 351.487 2.887 20 10 FFCDRO C[C@](O)(C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(F)F ZINC000905082100 736293842 /nfs/dbraw/zinc/29/38/42/736293842.db2.gz KATMGCQKWOFSTF-INIZCTEOSA-N 1 0 350.356 2.863 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)C3CCSCC3)CC2)cc1 ZINC000779017072 738429763 /nfs/dbraw/zinc/42/97/63/738429763.db2.gz HFUSMRLJWSGMQA-KRWDZBQOSA-N 1 0 363.571 2.939 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1O ZINC000779022733 738430016 /nfs/dbraw/zinc/43/00/16/738430016.db2.gz XZKDHGGWTCFKOX-CFVMTHIKSA-N 1 0 369.303 2.977 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c1O ZINC000779027656 738430902 /nfs/dbraw/zinc/43/09/02/738430902.db2.gz QPZUOFHZJKJSKG-SNVBAGLBSA-N 1 0 364.243 2.808 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1O ZINC000779050254 738432158 /nfs/dbraw/zinc/43/21/58/738432158.db2.gz NPDNQSHLWIGHRN-IAQYHMDHSA-N 1 0 358.276 2.901 20 10 FFCDRO Oc1cccc(Br)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000858141142 730417662 /nfs/dbraw/zinc/41/76/62/730417662.db2.gz LKMITJVQZIOTEI-CYBMUJFWSA-N 1 0 369.303 2.745 20 10 FFCDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Br ZINC000858154821 730418000 /nfs/dbraw/zinc/41/80/00/730418000.db2.gz SDXHLVTYINJSFC-ZDUSSCGKSA-N 1 0 354.219 2.987 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cn(C)nc3Br)C2)cc1 ZINC000858186929 730419118 /nfs/dbraw/zinc/41/91/18/730419118.db2.gz OVUSJJZXGDSACR-ZDUSSCGKSA-N 1 0 365.275 2.560 20 10 FFCDRO CCCNC(=O)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862214970 730677103 /nfs/dbraw/zinc/67/71/03/730677103.db2.gz AIVANVIRDHPDPS-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO C[C@](CO)([NH2+]Cc1cc(Br)ccc1O)c1cccc(O)c1 ZINC000862431023 730702063 /nfs/dbraw/zinc/70/20/63/730702063.db2.gz BNWPAMLCLNEELO-MRXNPFEDSA-N 1 0 352.228 2.858 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000865710972 730988457 /nfs/dbraw/zinc/98/84/57/730988457.db2.gz GLLVKNSXPGKKSO-UPONEAKYSA-N 1 0 358.154 2.565 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866442461 731060915 /nfs/dbraw/zinc/06/09/15/731060915.db2.gz MIPFZDKYLVEDGM-XVKPBYJWSA-N 1 0 354.191 2.830 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O ZINC000866527071 731070912 /nfs/dbraw/zinc/07/09/12/731070912.db2.gz UCBVGARJEGEPNX-CYBMUJFWSA-N 1 0 352.450 2.988 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000866577311 731076104 /nfs/dbraw/zinc/07/61/04/731076104.db2.gz FLKLMEQLOQRPHH-HNNXBMFYSA-N 1 0 362.495 2.810 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3nc(Cl)cs3)CC2)cc1 ZINC000876981827 732307109 /nfs/dbraw/zinc/30/71/09/732307109.db2.gz XUXMMAIZZFIKEB-UHFFFAOYSA-N 1 0 366.918 2.717 20 10 FFCDRO CO[C@]1(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCOC1 ZINC000876998306 732309698 /nfs/dbraw/zinc/30/96/98/732309698.db2.gz FHHVBKRIYKMAJO-SFHVURJKSA-N 1 0 356.413 2.652 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc(C)cc2O)CC1 ZINC000877536354 732383463 /nfs/dbraw/zinc/38/34/63/732383463.db2.gz ZTJCULLTRFFJJD-HNNXBMFYSA-N 1 0 354.516 2.583 20 10 FFCDRO Cc1cc(C(=O)Cn2cc([C@@H](C)[NH3+])nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351542 733043398 /nfs/dbraw/zinc/04/33/98/733043398.db2.gz USNLZSPNANZLIK-LLVKDONJSA-N 1 0 358.833 2.637 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725845683 734395779 /nfs/dbraw/zinc/39/57/79/734395779.db2.gz FWLASYPZGHFCTO-UHFFFAOYSA-N 1 0 362.495 2.820 20 10 FFCDRO CCn1ncc(Cl)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247850 734404537 /nfs/dbraw/zinc/40/45/37/734404537.db2.gz VRGLXUAEMABKAG-MRXNPFEDSA-N 1 0 363.893 2.655 20 10 FFCDRO CCN(CC[NH2+]Cc1ccc(OC)c(OC)c1O)C(=O)OC(C)(C)C ZINC000892810198 734606894 /nfs/dbraw/zinc/60/68/94/734606894.db2.gz AKCGHJTVOASEAP-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c(O)c1OC ZINC000893140906 734657915 /nfs/dbraw/zinc/65/79/15/734657915.db2.gz ZJHIRDTVIODMRB-ZDUSSCGKSA-N 1 0 363.845 2.826 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCC(F)(F)C2)[NH+](C)C)cc1 ZINC000893707077 734739866 /nfs/dbraw/zinc/73/98/66/734739866.db2.gz MPNKDMXPRNGRSP-GOEBONIOSA-N 1 0 354.445 2.842 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c(O)c1OC ZINC000894287153 734830945 /nfs/dbraw/zinc/83/09/45/734830945.db2.gz UEEXZPHUPIWZCE-GFCCVEGCSA-N 1 0 354.447 2.802 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894432880 734857128 /nfs/dbraw/zinc/85/71/28/734857128.db2.gz VXBWDUCKYIFLPJ-CHWSQXEVSA-N 1 0 360.223 2.878 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1CN1CCC(O)(C(F)F)CC1 ZINC000894500384 734869904 /nfs/dbraw/zinc/86/99/04/734869904.db2.gz NEDMSCKLEZWJJI-UHFFFAOYSA-N 1 0 354.166 2.886 20 10 FFCDRO COc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c(O)c1 ZINC000894635454 734892592 /nfs/dbraw/zinc/89/25/92/734892592.db2.gz HEEUPGWMKBNVKK-UHFFFAOYSA-N 1 0 369.874 2.637 20 10 FFCDRO Cc1[nH+]c2cc(NCc3c(O)cccc3Cl)ccc2n1C(CO)CO ZINC000894923570 734937534 /nfs/dbraw/zinc/93/75/34/734937534.db2.gz BJMLWPGWDZVBHI-UHFFFAOYSA-N 1 0 361.829 2.842 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000895352672 734994449 /nfs/dbraw/zinc/99/44/49/734994449.db2.gz JJOKCRRQNBRIRY-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895451150 735008143 /nfs/dbraw/zinc/00/81/43/735008143.db2.gz ISRMEUYODXWCHX-PBHICJAKSA-N 1 0 353.304 2.911 20 10 FFCDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)COC(=O)N1 ZINC000896393055 735152541 /nfs/dbraw/zinc/15/25/41/735152541.db2.gz ILCHBBFUTNLZRL-MLGOLLRUSA-N 1 0 369.259 2.865 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896396651 735153107 /nfs/dbraw/zinc/15/31/07/735153107.db2.gz QLWWTOOCXIPHSI-SJCJKPOMSA-N 1 0 354.834 2.765 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1OC ZINC000896907356 735187768 /nfs/dbraw/zinc/18/77/68/735187768.db2.gz LDNUZYSSUUBWBF-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)F ZINC000905052428 736289142 /nfs/dbraw/zinc/28/91/42/736289142.db2.gz QHNWUMKRNYNUBD-OAHLLOKOSA-N 1 0 368.346 2.648 20 10 FFCDRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N2CCCCC2)cc1 ZINC000760806769 736669733 /nfs/dbraw/zinc/66/97/33/736669733.db2.gz DEJRQGUPEBMGGS-GOSISDBHSA-N 1 0 350.528 2.934 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761316955 736721851 /nfs/dbraw/zinc/72/18/51/736721851.db2.gz FGQQHXMWZMFOGT-LSDHHAIUSA-N 1 0 365.861 2.683 20 10 FFCDRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000763558494 736947559 /nfs/dbraw/zinc/94/75/59/736947559.db2.gz JNFWYXCQVSLDGR-NHYWBVRUSA-N 1 0 358.276 2.983 20 10 FFCDRO C[NH+](C)C1(CNC(=O)NCc2cccc(Br)c2O)CCCC1 ZINC000764791039 737049897 /nfs/dbraw/zinc/04/98/97/737049897.db2.gz LXSLYDAPUKSDDW-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000764906251 737061206 /nfs/dbraw/zinc/06/12/06/737061206.db2.gz YZFKEYUFQSWAAH-HNNXBMFYSA-N 1 0 371.522 2.748 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000765445421 737119651 /nfs/dbraw/zinc/11/96/51/737119651.db2.gz SMEKFEYVNLRPDE-QWHCGFSZSA-N 1 0 368.275 2.581 20 10 FFCDRO CC[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC000765684998 737144492 /nfs/dbraw/zinc/14/44/92/737144492.db2.gz LKGGQWNAVXNMLS-XJKSGUPXSA-N 1 0 355.429 2.713 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000765979517 737180015 /nfs/dbraw/zinc/18/00/15/737180015.db2.gz KVVQRKDVIJCPJK-RTBURBONSA-N 1 0 362.539 2.980 20 10 FFCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000766214375 737208917 /nfs/dbraw/zinc/20/89/17/737208917.db2.gz NVFRCYUTEPFLMB-MAUKXSAKSA-N 1 0 350.528 2.836 20 10 FFCDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768781549 737457472 /nfs/dbraw/zinc/45/74/72/737457472.db2.gz TZXKWUFRRMJGJT-UHFFFAOYSA-N 1 0 350.768 2.936 20 10 FFCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773013323 737863639 /nfs/dbraw/zinc/86/36/39/737863639.db2.gz YGQQEXZKOWJKQL-AWEZNQCLSA-N 1 0 363.893 2.681 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000920957081 737936583 /nfs/dbraw/zinc/93/65/83/737936583.db2.gz CGMNLOVZHDNNTP-IBGZPJMESA-N 1 0 358.555 2.892 20 10 FFCDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C1=CC(=O)CS1 ZINC000775618874 738107007 /nfs/dbraw/zinc/10/70/07/738107007.db2.gz LFOMGVYXJZBUGH-UHFFFAOYSA-N 1 0 360.479 2.901 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1ccc(N(C)C)cc1 ZINC000775834762 738129958 /nfs/dbraw/zinc/12/99/58/738129958.db2.gz PZFGMVLXDGAXOH-NEPJUHHUSA-N 1 0 360.483 2.591 20 10 FFCDRO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000793699567 739806228 /nfs/dbraw/zinc/80/62/28/739806228.db2.gz RIHANNAJBWUEAP-ZDUSSCGKSA-N 1 0 363.479 2.884 20 10 FFCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(Br)cc1O ZINC000794826985 739933801 /nfs/dbraw/zinc/93/38/01/739933801.db2.gz FEXMLWSBVYVQGK-SNVBAGLBSA-N 1 0 362.289 2.773 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1O ZINC000799726644 740445654 /nfs/dbraw/zinc/44/56/54/740445654.db2.gz QVZLUFQDBMBLKA-NSHDSACASA-N 1 0 372.849 2.814 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC[C@H]1CCCO1 ZINC000805011949 740925549 /nfs/dbraw/zinc/92/55/49/740925549.db2.gz YVHOYTVXRQMKTF-JKSUJKDBSA-N 1 0 368.861 2.915 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805190166 740948642 /nfs/dbraw/zinc/94/86/42/740948642.db2.gz LOLDICXFYIWCCR-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C(C)(C)C[NH+](C)C ZINC000805191808 740948986 /nfs/dbraw/zinc/94/89/86/740948986.db2.gz RGNRGZNCPCBFMJ-LLVKDONJSA-N 1 0 372.307 2.930 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1O ZINC000806182908 741045596 /nfs/dbraw/zinc/04/55/96/741045596.db2.gz GYXAGYMCMRKFIY-MAUKXSAKSA-N 1 0 360.479 2.896 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)cc(C)c3O)C2=O)n(C)n1 ZINC000808706689 741254418 /nfs/dbraw/zinc/25/44/18/741254418.db2.gz RCUCXGKIRFDUTR-WFASDCNBSA-N 1 0 362.861 2.852 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000808711978 741255113 /nfs/dbraw/zinc/25/51/13/741255113.db2.gz XUTMKMLAYFYLHR-WQGACYEGSA-N 1 0 362.861 2.932 20 10 FFCDRO CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(C(F)(F)F)cc1O ZINC000810244092 741400676 /nfs/dbraw/zinc/40/06/76/741400676.db2.gz OOTNVSNMQWLRKI-AWEZNQCLSA-N 1 0 358.364 2.626 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000814290712 741809763 /nfs/dbraw/zinc/80/97/63/741809763.db2.gz KUSBELIUWDPVQN-CQSZACIVSA-N 1 0 350.413 2.836 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000815151297 741907363 /nfs/dbraw/zinc/90/73/63/741907363.db2.gz WRAWPTPYSVUNCN-GOSISDBHSA-N 1 0 350.478 2.941 20 10 FFCDRO C[C@@H]1C[C@@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000817860669 742218386 /nfs/dbraw/zinc/21/83/86/742218386.db2.gz RARLPTPIDNMSIJ-UMVBOHGHSA-N 1 0 358.511 2.762 20 10 FFCDRO CC(C)[NH+]1CCC(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817993975 742227551 /nfs/dbraw/zinc/22/75/51/742227551.db2.gz VFAAJELZMZRQAX-UHFFFAOYSA-N 1 0 358.511 2.919 20 10 FFCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997910 742227948 /nfs/dbraw/zinc/22/79/48/742227948.db2.gz ZZBHHWZPNFAVOP-SUMWQHHRSA-N 1 0 358.511 2.728 20 10 FFCDRO COC(=O)CC1CC([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000818331394 742263654 /nfs/dbraw/zinc/26/36/54/742263654.db2.gz HAEFQGTYQUDRRN-BLDCVEFLSA-N 1 0 366.889 2.941 20 10 FFCDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000819605186 742413810 /nfs/dbraw/zinc/41/38/10/742413810.db2.gz GJVJAWUEZYJAFG-INIZCTEOSA-N 1 0 363.527 2.978 20 10 FFCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824594124 743113341 /nfs/dbraw/zinc/11/33/41/743113341.db2.gz ZVQDIZQPNFUZKN-UHFFFAOYSA-N 1 0 351.248 2.663 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCCO1 ZINC000824825121 743155813 /nfs/dbraw/zinc/15/58/13/743155813.db2.gz MZMVACRHWWKMIK-AWEZNQCLSA-N 1 0 372.259 2.699 20 10 FFCDRO COc1cc(C[NH2+]Cc2cc(Cl)c(C)cc2O)ccc1OCC(N)=O ZINC000825155943 743219612 /nfs/dbraw/zinc/21/96/12/743219612.db2.gz MDGMCCGPKFVBOI-UHFFFAOYSA-N 1 0 364.829 2.517 20 10 FFCDRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3O)C2)cn1 ZINC000825321325 743247562 /nfs/dbraw/zinc/24/75/62/743247562.db2.gz VZIHSJPROUYYHT-CQSZACIVSA-N 1 0 365.275 2.647 20 10 FFCDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825337469 743251040 /nfs/dbraw/zinc/25/10/40/743251040.db2.gz GSKDOPQZZMTNFW-QGZVFWFLSA-N 1 0 359.539 2.883 20 10 FFCDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825939844 743346097 /nfs/dbraw/zinc/34/60/97/743346097.db2.gz IEZFNENWENORFU-ZDUSSCGKSA-N 1 0 355.276 2.893 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@H]1n1cccn1 ZINC000826024108 743357073 /nfs/dbraw/zinc/35/70/73/743357073.db2.gz RHTUXUWCMBYODV-IMJJTQAJSA-N 1 0 366.259 2.860 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(Br)cc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826534629 743391670 /nfs/dbraw/zinc/39/16/70/743391670.db2.gz IQEFGLLUBRRLTQ-UPJWGTAASA-N 1 0 357.292 2.742 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000827205193 743532876 /nfs/dbraw/zinc/53/28/76/743532876.db2.gz IBZBHRHRFRZUIL-HOTGVXAUSA-N 1 0 356.495 2.673 20 10 FFCDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000827634622 744951970 /nfs/dbraw/zinc/95/19/70/744951970.db2.gz WKUJWNDKEZZCPI-LBPRGKRZSA-N 1 0 353.260 2.599 20 10 FFCDRO CCn1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000830544789 745378275 /nfs/dbraw/zinc/37/82/75/745378275.db2.gz UBFLAXYXFMLXRO-HNNXBMFYSA-N 1 0 362.861 2.656 20 10 FFCDRO [NH3+]CCCCCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000831104142 745481357 /nfs/dbraw/zinc/48/13/57/745481357.db2.gz OVAALRASYRWHDB-UHFFFAOYSA-N 1 0 350.532 2.558 20 10 FFCDRO COc1ccc(N(CC2CC2)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000831588384 745550430 /nfs/dbraw/zinc/55/04/30/745550430.db2.gz ZBANJFVUMJAGQB-MRXNPFEDSA-N 1 0 352.500 2.583 20 10 FFCDRO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832265918 745668854 /nfs/dbraw/zinc/66/88/54/745668854.db2.gz BSMZSTFQEUZXIE-WFASDCNBSA-N 1 0 362.499 2.655 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000832281637 745670889 /nfs/dbraw/zinc/67/08/89/745670889.db2.gz VFCVJZNATDUZLX-INIZCTEOSA-N 1 0 351.372 2.800 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000832280754 745670921 /nfs/dbraw/zinc/67/09/21/745670921.db2.gz QRWJHQLORVCBLB-INIZCTEOSA-N 1 0 360.527 2.865 20 10 FFCDRO Cc1cc(Cl)ccc1OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292459 745673668 /nfs/dbraw/zinc/67/36/68/745673668.db2.gz HCYBJCIJEPCSNC-QGZVFWFLSA-N 1 0 361.873 2.909 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Cl)c(Cl)n2C)cc1 ZINC000832300109 745674326 /nfs/dbraw/zinc/67/43/26/745674326.db2.gz MFPDWNUMBLPOFJ-ZDUSSCGKSA-N 1 0 355.269 2.828 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000834525646 745853427 /nfs/dbraw/zinc/85/34/27/745853427.db2.gz WTMKKSPGGCWTEV-SNVBAGLBSA-N 1 0 350.260 2.934 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000837485924 746457736 /nfs/dbraw/zinc/45/77/36/746457736.db2.gz RTNVRNQEJGXIPW-LHHMISFZSA-N 1 0 364.873 2.694 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000839148354 746788731 /nfs/dbraw/zinc/78/87/31/746788731.db2.gz ZWFPGHPVAOBVAY-UHFFFAOYSA-N 1 0 354.859 2.634 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=S)NCC1CC[NH+](C)CC1 ZINC000840869031 747207468 /nfs/dbraw/zinc/20/74/68/747207468.db2.gz KSUFCBJSQIDCNY-INIZCTEOSA-N 1 0 362.587 2.798 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(Cl)c1 ZINC000840882804 747212074 /nfs/dbraw/zinc/21/20/74/747212074.db2.gz BZGJUFBJXFRAFQ-KRWDZBQOSA-N 1 0 356.919 2.652 20 10 FFCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)ccc21 ZINC000840886624 747212461 /nfs/dbraw/zinc/21/24/61/747212461.db2.gz JIBARRHNUOLQSN-UHFFFAOYSA-N 1 0 350.509 2.824 20 10 FFCDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706764 747436902 /nfs/dbraw/zinc/43/69/02/747436902.db2.gz JBTYEAHTENKFSW-YJBOKZPZSA-N 1 0 362.543 2.651 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(Cl)cc1O ZINC000841745748 747447439 /nfs/dbraw/zinc/44/74/39/747447439.db2.gz SNZBLBAUVYDBTM-SUMWQHHRSA-N 1 0 356.919 2.904 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841925125 747487801 /nfs/dbraw/zinc/48/78/01/747487801.db2.gz AEVRVJDDWMXYPB-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]C3CCC(F)(F)CC3)CC2)cc1 ZINC000842673829 747655863 /nfs/dbraw/zinc/65/58/63/747655863.db2.gz DZVFLDBWAYRYHH-UHFFFAOYSA-N 1 0 353.457 2.985 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(C)cc1O ZINC000842884013 747713525 /nfs/dbraw/zinc/71/35/25/747713525.db2.gz MPOJMPRETVZUGW-ZBFHGGJFSA-N 1 0 361.463 2.976 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCc2ncn(C)n2)c1O ZINC000842905547 747717522 /nfs/dbraw/zinc/71/75/22/747717522.db2.gz ZSEDWAAMZVUGSF-NSHDSACASA-N 1 0 353.264 2.875 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000843299041 747806965 /nfs/dbraw/zinc/80/69/65/747806965.db2.gz QNZHEILFMHLNDP-GOSISDBHSA-N 1 0 361.873 2.991 20 10 FFCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843303842 747808231 /nfs/dbraw/zinc/80/82/31/747808231.db2.gz IZUDALIHGQNRHU-UHFFFAOYSA-N 1 0 365.275 2.591 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414484 747831895 /nfs/dbraw/zinc/83/18/95/747831895.db2.gz GHLSHJCHUMVRKU-AWEZNQCLSA-N 1 0 363.259 2.940 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)cc1 ZINC000843486647 747843868 /nfs/dbraw/zinc/84/38/68/747843868.db2.gz ZCCPPDMZAIWKKD-GOSISDBHSA-N 1 0 359.857 2.697 20 10 FFCDRO CCn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000843832957 747906769 /nfs/dbraw/zinc/90/67/69/747906769.db2.gz ZDBKKYQOOVBXES-HNNXBMFYSA-N 1 0 362.861 2.656 20 10 FFCDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844962816 748147022 /nfs/dbraw/zinc/14/70/22/748147022.db2.gz JDANLKZOURFNNR-UHFFFAOYSA-N 1 0 369.893 2.734 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN(C)c2ccc(-c3nccs3)cc2)CC1 ZINC000846995201 748594316 /nfs/dbraw/zinc/59/43/16/748594316.db2.gz ZAMHETORIXHZQO-UHFFFAOYSA-N 1 0 358.511 2.847 20 10 FFCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848521387 748948448 /nfs/dbraw/zinc/94/84/48/748948448.db2.gz NOFCRXKEEOHZMP-JTQLQIEISA-N 1 0 359.264 2.730 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000848523371 748949377 /nfs/dbraw/zinc/94/93/77/748949377.db2.gz BRCGTWDCDPYALW-GHMZBOCLSA-N 1 0 371.275 2.825 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2cnccn2)c1O ZINC000848538145 748954347 /nfs/dbraw/zinc/95/43/47/748954347.db2.gz SYCDZXWZDOXALO-SNVBAGLBSA-N 1 0 352.232 2.847 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2ccn(C)n2)c1O ZINC000848546298 748955870 /nfs/dbraw/zinc/95/58/70/748955870.db2.gz XPZQFEDCRBVNNQ-SNVBAGLBSA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000848549449 748957046 /nfs/dbraw/zinc/95/70/46/748957046.db2.gz OYVPBMASKTWXDN-LXGOIASLSA-N 1 0 362.289 2.725 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000848549386 748957228 /nfs/dbraw/zinc/95/72/28/748957228.db2.gz OJUCAIVPEMMUQN-QWRGUYRKSA-N 1 0 371.275 2.825 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cn(C)cn2)c1O ZINC000848553512 748958719 /nfs/dbraw/zinc/95/87/19/748958719.db2.gz UMCKWVDSEDIGMN-JTQLQIEISA-N 1 0 354.248 2.790 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850121040 749305886 /nfs/dbraw/zinc/30/58/86/749305886.db2.gz BAXHKJCYYPNNGV-GJZGRUSLSA-N 1 0 350.503 2.897 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850121042 749306049 /nfs/dbraw/zinc/30/60/49/749306049.db2.gz BAXHKJCYYPNNGV-LSDHHAIUSA-N 1 0 350.503 2.897 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000850345856 749346023 /nfs/dbraw/zinc/34/60/23/749346023.db2.gz MNDIAAHYTBTGGQ-CYBMUJFWSA-N 1 0 354.376 2.823 20 10 FFCDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000850354098 749350546 /nfs/dbraw/zinc/35/05/46/749350546.db2.gz VOBLKBMLPQBIAE-GLQYFDAESA-N 1 0 358.276 2.810 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([S@@](C)=O)C3)CC2)cc1 ZINC000850357102 749350948 /nfs/dbraw/zinc/35/09/48/749350948.db2.gz XXZCXENZEYBTHB-SWWFSWNPSA-N 1 0 350.528 2.943 20 10 FFCDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000850395671 749358983 /nfs/dbraw/zinc/35/89/83/749358983.db2.gz BNMOHNPAMGTKQL-NSHDSACASA-N 1 0 355.276 2.891 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C1 ZINC000850425907 749363554 /nfs/dbraw/zinc/36/35/54/749363554.db2.gz QSRBBHXFTCTHNF-HNNXBMFYSA-N 1 0 351.441 2.566 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2c(s1)CC[NH2+]C2 ZINC000852790651 749956102 /nfs/dbraw/zinc/95/61/02/749956102.db2.gz SXQGDPGHRAHKDK-UHFFFAOYSA-N 1 0 373.547 2.877 20 10 FFCDRO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000853247414 750037832 /nfs/dbraw/zinc/03/78/32/750037832.db2.gz ORRXDKMMLBZLKP-UHFFFAOYSA-N 1 0 374.312 2.779 20 10 FFCDRO C[C@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000895635956 970807830 /nfs/dbraw/zinc/80/78/30/970807830.db2.gz PJUMCOIFNRXVHS-UZLBHIALSA-N 1 0 369.513 2.853 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1O ZINC000895814960 970981874 /nfs/dbraw/zinc/98/18/74/970981874.db2.gz VWZJOUKYTMYORW-UHFFFAOYSA-N 1 0 353.466 2.692 20 10 FFCDRO O=C1CO[C@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)CN1C1CCCC1 ZINC001275837517 1013064779 /nfs/dbraw/zinc/06/47/79/1013064779.db2.gz JPIPPUYOUVHUGF-IBGZPJMESA-N 1 0 364.873 2.792 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3c(O)cccc3Cl)C2)C(=O)N1CC(F)F ZINC001275840330 1013069465 /nfs/dbraw/zinc/06/94/65/1013069465.db2.gz JUDQVHYJRABEMB-KRWDZBQOSA-N 1 0 372.799 2.652 20 10 FFCDRO CN1C[C@H](CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000896310793 971415626 /nfs/dbraw/zinc/41/56/26/971415626.db2.gz OAIPTKNYDZKJNU-QGZVFWFLSA-N 1 0 354.450 2.929 20 10 FFCDRO CCOC1CC2(C[C@H]2NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000896320996 971420519 /nfs/dbraw/zinc/42/05/19/971420519.db2.gz QJFFVOKNKLSDBX-XTBIFASLSA-N 1 0 374.529 2.612 20 10 FFCDRO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275895140 1013153377 /nfs/dbraw/zinc/15/33/77/1013153377.db2.gz FJRMYKQPFHRMCY-INIZCTEOSA-N 1 0 366.889 2.800 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000653142828 962221237 /nfs/dbraw/zinc/22/12/37/962221237.db2.gz YACDSHPBPSVURX-LJQANCHMSA-N 1 0 355.482 2.776 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cn1cccn1 ZINC000873007369 1013343757 /nfs/dbraw/zinc/34/37/57/1013343757.db2.gz NRJDGMJLWGBZDJ-UHFFFAOYSA-N 1 0 351.406 2.959 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)n1C ZINC000873034946 1013357781 /nfs/dbraw/zinc/35/77/81/1013357781.db2.gz DBINHBYIFWZEBU-UHFFFAOYSA-N 1 0 357.454 2.579 20 10 FFCDRO C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245255 962558826 /nfs/dbraw/zinc/55/88/26/962558826.db2.gz BHEJIGJNKPZDBW-JSNMRZPZSA-N 1 0 369.513 2.561 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000891246737 962565137 /nfs/dbraw/zinc/56/51/37/962565137.db2.gz CMORWTQESWIFIQ-WOJBJXKFSA-N 1 0 365.477 2.842 20 10 FFCDRO Cc1noc2ncc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)cc12 ZINC000891255134 962615990 /nfs/dbraw/zinc/61/59/90/962615990.db2.gz NARLSNORZSCCNO-GOSISDBHSA-N 1 0 367.453 2.630 20 10 FFCDRO Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255968 962618428 /nfs/dbraw/zinc/61/84/28/962618428.db2.gz UKQDDPAHANHVQC-IBGZPJMESA-N 1 0 358.486 2.709 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2noc3c2CCCC3)[NH+](C)C)cc1 ZINC000891256247 962618823 /nfs/dbraw/zinc/61/88/23/962618823.db2.gz WIUVTEYLSGDZNS-QGZVFWFLSA-N 1 0 356.470 2.652 20 10 FFCDRO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177252 1013358299 /nfs/dbraw/zinc/35/82/99/1013358299.db2.gz IPXTVIALZHZYQT-IKGGRYGDSA-N 1 0 373.457 2.611 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1Cn1cccn1 ZINC000873042769 1013360032 /nfs/dbraw/zinc/36/00/32/1013360032.db2.gz IZQJHJASIUXHAL-INIZCTEOSA-N 1 0 353.470 2.871 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1Cn1cccn1 ZINC000873046372 1013362306 /nfs/dbraw/zinc/36/23/06/1013362306.db2.gz PCCQBWHEWKWFRE-HXUWFJFHSA-N 1 0 351.450 2.633 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCOC2)cc1C ZINC001087131675 962937283 /nfs/dbraw/zinc/93/72/83/962937283.db2.gz JRLUXUJRIJYKBY-LZQZEXGQSA-N 1 0 360.498 2.757 20 10 FFCDRO O=C(NCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276063787 1013387924 /nfs/dbraw/zinc/38/79/24/1013387924.db2.gz LQWMYAMKTJXPSY-CYBMUJFWSA-N 1 0 360.351 2.812 20 10 FFCDRO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276063369 1013389480 /nfs/dbraw/zinc/38/94/80/1013389480.db2.gz FJNQJGNMMJWEHS-UHFFFAOYSA-N 1 0 364.461 2.772 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncc(-c4cccnc4)cn3)cc2)CC1 ZINC001167431137 963083666 /nfs/dbraw/zinc/08/36/66/963083666.db2.gz ITQWKPALCHVBAE-UHFFFAOYSA-N 1 0 360.465 2.903 20 10 FFCDRO COc1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1Cn1cccn1 ZINC000873138782 1013398591 /nfs/dbraw/zinc/39/85/91/1013398591.db2.gz MVXXHZYCHFXBQB-UHFFFAOYSA-N 1 0 365.424 2.970 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc(C4(C)OCCO4)n3)cc2)CC1 ZINC001167434307 963178196 /nfs/dbraw/zinc/17/81/96/963178196.db2.gz IFUNHKMRVNTVTI-UHFFFAOYSA-N 1 0 368.481 2.665 20 10 FFCDRO CN1CC[C@]2(CCC[N@H+](Cc3c(O)cccc3Br)CC2)C1=O ZINC001276077732 1013409496 /nfs/dbraw/zinc/40/94/96/1013409496.db2.gz UZTCODRMLKUMNV-KRWDZBQOSA-N 1 0 367.287 2.989 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CCCCCC[NH3+])CC2)cc1 ZINC000891486945 964379080 /nfs/dbraw/zinc/37/90/80/964379080.db2.gz BAFNJFXPTFYBOH-UHFFFAOYSA-N 1 0 362.518 2.825 20 10 FFCDRO CC(C)([NH3+])CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000891487227 964380133 /nfs/dbraw/zinc/38/01/33/964380133.db2.gz FURYTGHRWBMKKD-UHFFFAOYSA-N 1 0 370.444 2.683 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000051230384 964425145 /nfs/dbraw/zinc/42/51/45/964425145.db2.gz NZPVCDVBYNKXKJ-UHFFFAOYSA-N 1 0 357.429 2.985 20 10 FFCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891738021 964987659 /nfs/dbraw/zinc/98/76/59/964987659.db2.gz FPIBQUGYEXQKOX-UHFFFAOYSA-N 1 0 364.486 2.880 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000176092423 965417485 /nfs/dbraw/zinc/41/74/85/965417485.db2.gz QCJWCRZSXRKSBR-HKUYNNGSSA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000892192894 966245925 /nfs/dbraw/zinc/24/59/25/966245925.db2.gz IJKMQZSAHMWDEM-DLBZAZTESA-N 1 0 374.529 2.599 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237220686 967606799 /nfs/dbraw/zinc/60/67/99/967606799.db2.gz HCYYLRYHYOGNOE-NRFANRHFSA-N 1 0 367.493 2.962 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c(O)c1OC ZINC000892392948 968210638 /nfs/dbraw/zinc/21/06/38/968210638.db2.gz ATOKNDDDGQULPE-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO Cc1ccncc1CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895186302 968219432 /nfs/dbraw/zinc/21/94/32/968219432.db2.gz JYSSSSYCZAHGNW-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(O)c1O ZINC000179479742 968806643 /nfs/dbraw/zinc/80/66/43/968806643.db2.gz VKLVYAXGNHBTFD-QGZVFWFLSA-N 1 0 354.450 2.701 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3ccnnc3)C[C@H]2C)cc1C ZINC001104718496 970166435 /nfs/dbraw/zinc/16/64/35/970166435.db2.gz ZRJDYIDDZFFODH-VQIMIIECSA-N 1 0 368.481 2.682 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)c(O)c1OC ZINC000895466500 970650235 /nfs/dbraw/zinc/65/02/35/970650235.db2.gz IZJJVNSFHBGIQB-UHFFFAOYSA-N 1 0 371.437 2.619 20 10 FFCDRO Cc1ccc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000895504001 970674736 /nfs/dbraw/zinc/67/47/36/970674736.db2.gz XQEAQWPYAVSFBB-LJQANCHMSA-N 1 0 355.486 2.558 20 10 FFCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000125073730 973083786 /nfs/dbraw/zinc/08/37/86/973083786.db2.gz SYIJWGASYQVKBX-MSOLQXFVSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000653051984 1014216504 /nfs/dbraw/zinc/21/65/04/1014216504.db2.gz QJZOZJQUZMSPAS-RDTXWAMCSA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000653142210 1014234848 /nfs/dbraw/zinc/23/48/48/1014234848.db2.gz CRLDTOVSIDWHSJ-HXUWFJFHSA-N 1 0 367.493 2.787 20 10 FFCDRO C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608455 975906162 /nfs/dbraw/zinc/90/61/62/975906162.db2.gz UZAHQQGTYSXBJT-BMRADRMJSA-N 1 0 350.466 2.553 20 10 FFCDRO Cc1nn(C)c2ncc(C[NH2+]C[C@H](c3ccc(N(C)C)cc3)N(C)C)cc12 ZINC000898451995 976465875 /nfs/dbraw/zinc/46/58/75/976465875.db2.gz RZBSWELDWCMZSH-HXUWFJFHSA-N 1 0 366.513 2.735 20 10 FFCDRO CO[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899097985 976905202 /nfs/dbraw/zinc/90/52/02/976905202.db2.gz JZIRDUZVOXHKCF-MOPGFXCFSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]([C@H]3CCCO3)C2)[NH+](C)C)cc1 ZINC000899098466 976922348 /nfs/dbraw/zinc/92/23/48/976922348.db2.gz OUZCZVKLVUQROJ-YSIASYRMSA-N 1 0 374.529 2.566 20 10 FFCDRO CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@H]4C[NH2+]C[C@H]4C3)c2C)cc1 ZINC000728914722 977465443 /nfs/dbraw/zinc/46/54/43/977465443.db2.gz VLUMLZIFWGDJHR-HDICACEKSA-N 1 0 367.493 2.827 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876872392 1014405767 /nfs/dbraw/zinc/40/57/67/1014405767.db2.gz CLNIMYMYCONLMD-YFGITSKXSA-N 1 0 371.525 2.816 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000893824724 977560886 /nfs/dbraw/zinc/56/08/86/977560886.db2.gz AERBNJCZBGQRJK-AEFFLSMTSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)c1 ZINC000876880013 1014409078 /nfs/dbraw/zinc/40/90/78/1014409078.db2.gz YEFNQXFOXMUKTR-BIENJYKASA-N 1 0 358.438 2.511 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCOC1 ZINC000876945840 1014428509 /nfs/dbraw/zinc/42/85/09/1014428509.db2.gz KESSFWFPGWFUCV-DOHHPOSVSA-N 1 0 366.477 2.580 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000876987037 1014441864 /nfs/dbraw/zinc/44/18/64/1014441864.db2.gz QCJXOTRNGHHHHI-OAHLLOKOSA-N 1 0 355.438 2.540 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCCc2c[nH]nc2C)c2cc(F)ccc2n1C ZINC000894166763 978064298 /nfs/dbraw/zinc/06/42/98/978064298.db2.gz GZFHKRVZBZRMFJ-UHFFFAOYSA-N 1 0 358.417 2.858 20 10 FFCDRO COc1ccc(C(=O)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)cc1 ZINC000178850858 978095096 /nfs/dbraw/zinc/09/50/96/978095096.db2.gz QLXKNOCPTDBOGG-UHFFFAOYSA-N 1 0 354.450 2.976 20 10 FFCDRO COC(=O)c1c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(F)ccc2n1C ZINC000894188078 978124382 /nfs/dbraw/zinc/12/43/82/978124382.db2.gz QGCCOBTVZBQEFX-GJZGRUSLSA-N 1 0 359.445 2.820 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000728978204 978137953 /nfs/dbraw/zinc/13/79/53/978137953.db2.gz BSQULOGYEPJQDD-RDJZCZTQSA-N 1 0 369.465 2.885 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000877146524 1014488820 /nfs/dbraw/zinc/48/88/20/1014488820.db2.gz UFXDGGSURSEUKJ-UYAOXDASSA-N 1 0 359.514 2.683 20 10 FFCDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877522474 1014611815 /nfs/dbraw/zinc/61/18/15/1014611815.db2.gz FYFVQAPYWDGNDZ-AREMUKBSSA-N 1 0 372.534 2.816 20 10 FFCDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877560868 1014626901 /nfs/dbraw/zinc/62/69/01/1014626901.db2.gz CBVIBXMYNZGDSY-UXHICEINSA-N 1 0 360.498 2.859 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)C2)cc1 ZINC000877598095 1014639732 /nfs/dbraw/zinc/63/97/32/1014639732.db2.gz IHUYFMCKNLDDIV-HPUBIQBYSA-N 1 0 371.441 2.620 20 10 FFCDRO O[C@H](C[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000905051384 980371534 /nfs/dbraw/zinc/37/15/34/980371534.db2.gz CGCRQYHFZSEABA-LEWJYISDSA-N 1 0 372.534 2.814 20 10 FFCDRO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877644866 1014658402 /nfs/dbraw/zinc/65/84/02/1014658402.db2.gz ZOOYMALECACGOJ-UHFFFAOYSA-N 1 0 368.525 2.966 20 10 FFCDRO Nc1ccc(CCNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000841694956 981200235 /nfs/dbraw/zinc/20/02/35/981200235.db2.gz NBTKHEVJMYPCMS-UHFFFAOYSA-N 1 0 352.482 2.559 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@@H]3NC(C)(C)C(=O)N3CC3CCCC3)cc2)CC1 ZINC000877857575 1014750348 /nfs/dbraw/zinc/75/03/48/1014750348.db2.gz VFWPCUGMWXNZQR-HXUWFJFHSA-N 1 0 370.541 2.838 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000031728880 981856621 /nfs/dbraw/zinc/85/66/21/981856621.db2.gz CBZBOSLPIBFAKQ-IBGZPJMESA-N 1 0 358.461 2.994 20 10 FFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3ccc(N)cc3)C2)CC1 ZINC000841956776 982467100 /nfs/dbraw/zinc/46/71/00/982467100.db2.gz HPYLMPAZWIEATQ-IBGZPJMESA-N 1 0 358.530 2.965 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842005379 982566993 /nfs/dbraw/zinc/56/69/93/982566993.db2.gz SRMHVYPMRQYIIY-QGZVFWFLSA-N 1 0 366.456 2.816 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898367409 982695918 /nfs/dbraw/zinc/69/59/18/982695918.db2.gz DCTUEIGHSRNZST-ABCZVMIZSA-N 1 0 373.888 2.783 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000878239959 1014938737 /nfs/dbraw/zinc/93/87/37/1014938737.db2.gz CIRKTDGSOKYEQQ-URVUXULASA-N 1 0 371.477 2.858 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000045042503 984390271 /nfs/dbraw/zinc/39/02/71/984390271.db2.gz KFIRVRORZNLMPF-UHFFFAOYSA-N 1 0 366.509 2.952 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000765846199 986714313 /nfs/dbraw/zinc/71/43/13/986714313.db2.gz UZWJKVAMBBYGGF-INIZCTEOSA-N 1 0 363.477 2.716 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)CC1 ZINC000765977335 988168656 /nfs/dbraw/zinc/16/86/56/988168656.db2.gz FSVAGSPYOZRWLW-UHFFFAOYSA-N 1 0 374.550 2.836 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cc2)CC1 ZINC000922338456 988451239 /nfs/dbraw/zinc/45/12/39/988451239.db2.gz KYLQRGXQFSOARO-UHFFFAOYSA-N 1 0 367.497 2.600 20 10 FFCDRO Cn1ncc(Cl)c1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000132594095 988608260 /nfs/dbraw/zinc/60/82/60/988608260.db2.gz BKJRCCPZZIHRFY-UHFFFAOYSA-N 1 0 373.932 2.895 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[N@@H+](C)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000916644968 989883205 /nfs/dbraw/zinc/88/32/05/989883205.db2.gz HNUJWPWNBZSYGY-UHFFFAOYSA-N 1 0 369.465 2.643 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154582748 990308148 /nfs/dbraw/zinc/30/81/48/990308148.db2.gz JZWBPXDGUPXKNM-NVXWUHKLSA-N 1 0 352.438 2.807 20 10 FFCDRO C[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000920921673 990933276 /nfs/dbraw/zinc/93/32/76/990933276.db2.gz PBJJGIDGFYRIHG-QGZVFWFLSA-N 1 0 374.529 2.567 20 10 FFCDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000763456041 991167539 /nfs/dbraw/zinc/16/75/39/991167539.db2.gz VXMHWFJEWBBVDC-PMACEKPBSA-N 1 0 373.541 2.991 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)c1 ZINC000179602898 991298043 /nfs/dbraw/zinc/29/80/43/991298043.db2.gz RDWDVTJRXDXNFS-UHFFFAOYSA-N 1 0 360.429 2.866 20 10 FFCDRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000879648621 1015625427 /nfs/dbraw/zinc/62/54/27/1015625427.db2.gz WOVMASAYNFYTLG-CYBMUJFWSA-N 1 0 357.410 2.538 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC000179890774 991367059 /nfs/dbraw/zinc/36/70/59/991367059.db2.gz CCZSFLKJAKXSDP-MRXNPFEDSA-N 1 0 371.456 2.921 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccnc(-n3ccnc3)c2)ccc1N1CCOCC1 ZINC000237858872 991368781 /nfs/dbraw/zinc/36/87/81/991368781.db2.gz CSIHAUWWUUYEQQ-UHFFFAOYSA-N 1 0 367.428 2.533 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCCOC2CCCCC2)c1 ZINC000182370408 992024199 /nfs/dbraw/zinc/02/41/99/992024199.db2.gz OHDPLQWVMHGDBQ-HNNXBMFYSA-N 1 0 364.486 2.907 20 10 FFCDRO CSc1cccnc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879991717 1015726018 /nfs/dbraw/zinc/72/60/18/1015726018.db2.gz DSYMUUZCQVLRNS-UHFFFAOYSA-N 1 0 371.510 2.877 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4c3OCO4)c2)CC1 ZINC000184274742 992712813 /nfs/dbraw/zinc/71/28/13/992712813.db2.gz HBSBZWHMCBDMED-UHFFFAOYSA-N 1 0 353.422 2.810 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)CCOC)cc2F)CC1 ZINC000184735555 992963450 /nfs/dbraw/zinc/96/34/50/992963450.db2.gz HDYBDOLANQAKEU-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810219868 994732252 /nfs/dbraw/zinc/73/22/52/994732252.db2.gz WVGIIYKBOMVRHM-HXUWFJFHSA-N 1 0 373.522 2.876 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(C(=O)[O-])ccc1O ZINC001593303555 994734478 /nfs/dbraw/zinc/73/44/78/994734478.db2.gz GAEZWDHXHMOJFQ-RDTXWAMCSA-N 1 0 370.449 2.508 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208624 994737824 /nfs/dbraw/zinc/73/78/24/994737824.db2.gz DBENMDBNNKYQHX-OAHLLOKOSA-N 1 0 373.419 2.662 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000903448593 1015897689 /nfs/dbraw/zinc/89/76/89/1015897689.db2.gz QLVDJJYDGSAUQP-YWZLYKJASA-N 1 0 370.497 2.888 20 10 FFCDRO CCc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082612333 995088228 /nfs/dbraw/zinc/08/82/28/995088228.db2.gz HYJAWRMTUQCDFB-RDTXWAMCSA-N 1 0 356.470 2.539 20 10 FFCDRO Cc1cc(C)cc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001132901892 995198595 /nfs/dbraw/zinc/19/85/95/995198595.db2.gz GRGKCQOCVRXNPB-UHFFFAOYSA-N 1 0 351.494 2.914 20 10 FFCDRO CN(C)c1ccc(CN(C)CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811731292 995229490 /nfs/dbraw/zinc/22/94/90/995229490.db2.gz ZUGKLECKFQCVMM-MOPGFXCFSA-N 1 0 357.498 2.702 20 10 FFCDRO COC[C@H](C)[C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000812541782 995460264 /nfs/dbraw/zinc/46/02/64/995460264.db2.gz DZQPGMVQNJMIHL-ROUUACIJSA-N 1 0 373.541 2.753 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ncccc3OC)C[C@H]2C)cc1C ZINC001082881850 995724840 /nfs/dbraw/zinc/72/48/40/995724840.db2.gz UZMROSFKBIKFBU-NVXWUHKLSA-N 1 0 369.465 2.658 20 10 FFCDRO CC[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000727938210 996094551 /nfs/dbraw/zinc/09/45/51/996094551.db2.gz FENRNNMPLTYEDB-SFHVURJKSA-N 1 0 374.529 2.791 20 10 FFCDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000729983806 996770188 /nfs/dbraw/zinc/77/01/88/996770188.db2.gz SYCLZHMXMWNODF-IBGZPJMESA-N 1 0 355.482 2.935 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC(C)(C)C[NH+]3CCCC3)C2)cc1 ZINC000824682211 997050190 /nfs/dbraw/zinc/05/01/90/997050190.db2.gz XADUIJIPLSENOQ-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO c1cncc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000824931587 997149192 /nfs/dbraw/zinc/14/91/92/997149192.db2.gz AMUBIEHEANVPJO-TZIWHRDSSA-N 1 0 353.466 2.928 20 10 FFCDRO COc1cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825519232 997411251 /nfs/dbraw/zinc/41/12/51/997411251.db2.gz BJKSRFSJSRLWHT-FQEVSTJZSA-N 1 0 367.486 2.881 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2F)C[C@H](C)O1 ZINC000844172528 997693702 /nfs/dbraw/zinc/69/37/02/997693702.db2.gz IPRFVHSTVJRCFS-GASCZTMLSA-N 1 0 363.477 2.717 20 10 FFCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000844188072 997699525 /nfs/dbraw/zinc/69/95/25/997699525.db2.gz NWCMZKZVSQLOSS-CKEIUWERSA-N 1 0 367.440 2.761 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844946966 998269627 /nfs/dbraw/zinc/26/96/27/998269627.db2.gz YHHWHGIATGAOEI-UHFFFAOYSA-N 1 0 362.518 2.505 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CC[NH+]3CCCCC3)C2)cc1 ZINC000845269648 998456924 /nfs/dbraw/zinc/45/69/24/998456924.db2.gz UWFWQOGYNDHTKS-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO Cc1ccc2nc(C3CC[NH+](Cc4c(O)cc(O)cc4O)CC3)nn2c1 ZINC001144508152 998614667 /nfs/dbraw/zinc/61/46/67/998614667.db2.gz JVBWLKWBIUVQNF-UHFFFAOYSA-N 1 0 354.410 2.534 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCc3ncnc(-c4ccsc4)c3CC2)c(O)c1 ZINC001144510475 998623738 /nfs/dbraw/zinc/62/37/38/998623738.db2.gz ZOKTVSGAPWJYIW-UHFFFAOYSA-N 1 0 369.446 2.923 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c(O)c1 ZINC001144510473 998623747 /nfs/dbraw/zinc/62/37/47/998623747.db2.gz ZNRUFTABOKMTRT-RXVVDRJESA-N 1 0 370.449 2.811 20 10 FFCDRO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515944 998627624 /nfs/dbraw/zinc/62/76/24/998627624.db2.gz KBCCTQBAPLSDGA-HNNXBMFYSA-N 1 0 357.406 2.759 20 10 FFCDRO Cc1nn(C)c2ncc(CN(C)c3ccc(OCC[NH+](C)C)cc3)cc12 ZINC000732411133 998659946 /nfs/dbraw/zinc/65/99/46/998659946.db2.gz PZJXWMNTWOBQNP-UHFFFAOYSA-N 1 0 353.470 2.854 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000128903325 1016240052 /nfs/dbraw/zinc/24/00/52/1016240052.db2.gz AYLFKOPBRKRXTC-AWEZNQCLSA-N 1 0 359.405 2.881 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCOC2)cc1C ZINC001085150223 999029878 /nfs/dbraw/zinc/02/98/78/999029878.db2.gz XBPMDUFPOTWHAA-IPMKNSEASA-N 1 0 360.498 2.947 20 10 FFCDRO CCN(CC)c1ccc(CN(C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903876790 1016281512 /nfs/dbraw/zinc/28/15/12/1016281512.db2.gz ISVFGCGRXNBUQI-IBGZPJMESA-N 1 0 356.518 2.681 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000740006974 999657117 /nfs/dbraw/zinc/65/71/17/999657117.db2.gz PTTJYKGEDPFTJR-RXVVDRJESA-N 1 0 370.493 2.764 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)cc1 ZINC000741677666 999737344 /nfs/dbraw/zinc/73/73/44/999737344.db2.gz ASLWLTZYGJQLBZ-UHFFFAOYSA-N 1 0 371.510 2.938 20 10 FFCDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768194189 1000194877 /nfs/dbraw/zinc/19/48/77/1000194877.db2.gz RMHJVHMPRQRYJV-UHFFFAOYSA-N 1 0 374.485 2.885 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(N(C)C)cc1 ZINC000846161207 1000212594 /nfs/dbraw/zinc/21/25/94/1000212594.db2.gz WJUVTUYLPHJEEO-CAIZAGQASA-N 1 0 374.529 2.742 20 10 FFCDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441892 1000248251 /nfs/dbraw/zinc/24/82/51/1000248251.db2.gz LHPSRDRVHHJSEJ-LJQANCHMSA-N 1 0 351.406 2.636 20 10 FFCDRO C[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768687465 1000330679 /nfs/dbraw/zinc/33/06/79/1000330679.db2.gz TYFGJLZCNWLSGZ-VQIMIIECSA-N 1 0 356.514 2.674 20 10 FFCDRO Cc1cc2ccccc2n1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000846663714 1000403662 /nfs/dbraw/zinc/40/36/62/1000403662.db2.gz MRBLTPVIYMYTGB-IBGZPJMESA-N 1 0 350.466 2.832 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000769315075 1000490308 /nfs/dbraw/zinc/49/03/08/1000490308.db2.gz FLYZSZKIYCONIT-HXUWFJFHSA-N 1 0 359.514 2.746 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(O)c1 ZINC000769461935 1000526179 /nfs/dbraw/zinc/52/61/79/1000526179.db2.gz COGMTKANXACXEV-AWEZNQCLSA-N 1 0 358.398 2.781 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([S@](C)=O)c3)c2)CC1 ZINC000770287434 1000730849 /nfs/dbraw/zinc/73/08/49/1000730849.db2.gz ZMRNCTRXOXEYRC-SANMLTNESA-N 1 0 371.506 2.818 20 10 FFCDRO CC(C)[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(N(C)C)cc1 ZINC000771790855 1001204106 /nfs/dbraw/zinc/20/41/06/1001204106.db2.gz HVODGLLIJLMHHJ-UHFFFAOYSA-N 1 0 368.481 2.701 20 10 FFCDRO CCO[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087015842 1001370162 /nfs/dbraw/zinc/37/01/62/1001370162.db2.gz CJHCZZMMJYPSGN-SJLPKXTDSA-N 1 0 366.477 2.705 20 10 FFCDRO CCO[C@@H]1CN(C(=O)CC2CC2)C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001087017739 1001371429 /nfs/dbraw/zinc/37/14/29/1001371429.db2.gz RYIHTPKMIVQERN-UYAOXDASSA-N 1 0 360.498 2.757 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1O ZINC001276191557 1016501436 /nfs/dbraw/zinc/50/14/36/1016501436.db2.gz LUSSTBOJBUWZCP-BUXKBTBVSA-N 1 0 366.408 2.605 20 10 FFCDRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000787909257 1001730722 /nfs/dbraw/zinc/73/07/22/1001730722.db2.gz WJIVUXJLZIHZNR-OAQYLSRUSA-N 1 0 357.498 2.835 20 10 FFCDRO CN1CCCc2cc(CNS(=O)(=O)c3ccc(C[NH+](C)C)cc3)ccc21 ZINC000788612026 1001827588 /nfs/dbraw/zinc/82/75/88/1001827588.db2.gz RHGYQMAXGVLWNO-UHFFFAOYSA-N 1 0 373.522 2.609 20 10 FFCDRO CON(C)C(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000788865400 1001899374 /nfs/dbraw/zinc/89/93/74/1001899374.db2.gz OUNUEMUERZCVOC-UHFFFAOYSA-N 1 0 368.481 2.684 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCC(C)(C)C[NH+]3CCCC3)ccc21 ZINC000790262631 1002321552 /nfs/dbraw/zinc/32/15/52/1002321552.db2.gz VPSQRTAYNRRGOT-UHFFFAOYSA-N 1 0 358.530 2.990 20 10 FFCDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3c(O)cccc3Br)C[C@@H]21 ZINC001183823578 1002415329 /nfs/dbraw/zinc/41/53/29/1002415329.db2.gz UVYBSAFXPQTANV-JRPNMDOOSA-N 1 0 354.244 2.786 20 10 FFCDRO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[N@H+](C)C(C)C ZINC000791249208 1002623869 /nfs/dbraw/zinc/62/38/69/1002623869.db2.gz DLACVLFFGLSSDB-UHFFFAOYSA-N 1 0 363.502 2.715 20 10 FFCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000792187407 1002936815 /nfs/dbraw/zinc/93/68/15/1002936815.db2.gz RUEMAOLXAHRJHF-KRWDZBQOSA-N 1 0 372.469 2.782 20 10 FFCDRO COc1ccc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000792788529 1003178229 /nfs/dbraw/zinc/17/82/29/1003178229.db2.gz NXQLOOJMUJLYFM-UHFFFAOYSA-N 1 0 357.454 2.722 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1C ZINC000774977477 1003195280 /nfs/dbraw/zinc/19/52/80/1003195280.db2.gz LERBJUUPRMWVAQ-LJQANCHMSA-N 1 0 367.493 2.995 20 10 FFCDRO COc1c(O)c(CNCc2ccn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000774983050 1003207269 /nfs/dbraw/zinc/20/72/69/1003207269.db2.gz NVOLVIMJOOJPNV-UHFFFAOYSA-N 1 0 354.366 2.785 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccco1 ZINC000792939384 1003226442 /nfs/dbraw/zinc/22/64/42/1003226442.db2.gz JEAOHSURPFHSNH-MRXNPFEDSA-N 1 0 361.442 2.876 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1 ZINC000793146727 1003293254 /nfs/dbraw/zinc/29/32/54/1003293254.db2.gz AYBNLMDJQXRTIF-GOEBONIOSA-N 1 0 361.486 2.853 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C ZINC000793216289 1003308917 /nfs/dbraw/zinc/30/89/17/1003308917.db2.gz XHSOFXZEUJWZJZ-CQSZACIVSA-N 1 0 367.465 2.665 20 10 FFCDRO Cc1cc(C)c(CNC(=O)c2ccccc2N2CC[NH+](C)CC2)c(O)c1 ZINC001186905032 1003485229 /nfs/dbraw/zinc/48/52/29/1003485229.db2.gz GRYGTYODIIAHDJ-UHFFFAOYSA-N 1 0 353.466 2.691 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)c1O ZINC000775737389 1003896930 /nfs/dbraw/zinc/89/69/30/1003896930.db2.gz SNZCCKMOWXKGAN-CYBMUJFWSA-N 1 0 372.860 2.502 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1O ZINC000775489746 1003993196 /nfs/dbraw/zinc/99/31/96/1003993196.db2.gz RLZCWCITIODRHT-CRAIPNDOSA-N 1 0 370.449 2.758 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)c(OC)c1 ZINC001197104392 1004084263 /nfs/dbraw/zinc/08/42/63/1004084263.db2.gz CMAIVZYVNPRKGW-LJQANCHMSA-N 1 0 370.493 2.820 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCOC)c1ccccc1O ZINC000775540574 1004226876 /nfs/dbraw/zinc/22/68/76/1004226876.db2.gz NEQYCZSZZUNMDD-MOPGFXCFSA-N 1 0 356.466 2.807 20 10 FFCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000806542858 1004348526 /nfs/dbraw/zinc/34/85/26/1004348526.db2.gz ZDKYZVVXZUMRJT-PXNSSMCTSA-N 1 0 374.529 2.758 20 10 FFCDRO C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000806614217 1004370937 /nfs/dbraw/zinc/37/09/37/1004370937.db2.gz NAHMTTIZUFFGCJ-HKUYNNGSSA-N 1 0 359.514 2.965 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[C@H]2CCCO[C@@H]21 ZINC000776156750 1005201604 /nfs/dbraw/zinc/20/16/04/1005201604.db2.gz MKAYMXGNNFIMHZ-NBYUQASBSA-N 1 0 371.525 2.682 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000776160785 1005204953 /nfs/dbraw/zinc/20/49/53/1005204953.db2.gz RDIAXAAUHNELCJ-NJYVYQBISA-N 1 0 373.541 2.610 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cccc(CO)c1 ZINC000776305591 1005355059 /nfs/dbraw/zinc/35/50/59/1005355059.db2.gz GTMRUFPOWUPLRA-UZLBHIALSA-N 1 0 367.493 2.731 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2F)C[C@H](C)O1 ZINC000850034796 1005780165 /nfs/dbraw/zinc/78/01/65/1005780165.db2.gz PRWMFKAXOGMWAD-GASCZTMLSA-N 1 0 358.461 2.872 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cncn4)c(F)c3)C2)cc1 ZINC000850345729 1005809220 /nfs/dbraw/zinc/80/92/20/1005809220.db2.gz IWAFVWJUQSYWNA-MRXNPFEDSA-N 1 0 367.428 2.784 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)ccc1OC ZINC000850352611 1005809965 /nfs/dbraw/zinc/80/99/65/1005809965.db2.gz CFSMXWPOMIVTPZ-SFHVURJKSA-N 1 0 354.450 2.909 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)ccc1OC ZINC000850395181 1005812999 /nfs/dbraw/zinc/81/29/99/1005812999.db2.gz DKAQIEKDXHPHOR-NHCUHLMSSA-N 1 0 374.525 2.965 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000850406598 1005813754 /nfs/dbraw/zinc/81/37/54/1005813754.db2.gz MTCJHKIXMSXWBM-SYNHAJSKSA-N 1 0 360.498 2.715 20 10 FFCDRO CCOC1CCC([NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000850428290 1005814954 /nfs/dbraw/zinc/81/49/54/1005814954.db2.gz FSJPBKSANSIGNL-UHFFFAOYSA-N 1 0 361.530 2.755 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000850482787 1005817938 /nfs/dbraw/zinc/81/79/38/1005817938.db2.gz RFPIMJIBIHOMDS-WMZOPIPTSA-N 1 0 359.466 2.980 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000850480931 1005817980 /nfs/dbraw/zinc/81/79/80/1005817980.db2.gz CSTOXIIYIYEULD-YOEHRIQHSA-N 1 0 363.429 2.811 20 10 FFCDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000850847664 1005845342 /nfs/dbraw/zinc/84/53/42/1005845342.db2.gz MMCIHNQSDHVWSC-UHFFFAOYSA-N 1 0 363.421 2.990 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000852186298 1005949122 /nfs/dbraw/zinc/94/91/22/1005949122.db2.gz DUANILIZTNSKHG-SQNIBIBYSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)cc1 ZINC000852196674 1005950040 /nfs/dbraw/zinc/95/00/40/1005950040.db2.gz UJLGKZAQZJNHIJ-HZPDHXFCSA-N 1 0 362.518 2.549 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000813634336 1005998657 /nfs/dbraw/zinc/99/86/57/1005998657.db2.gz JNEONLOOBMILDX-FQEVSTJZSA-N 1 0 362.493 2.909 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852454117 1006035877 /nfs/dbraw/zinc/03/58/77/1006035877.db2.gz NXYTWKWODZKCMR-MSOLQXFVSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C3CC(OC)C3)C2)cc1C ZINC001086726403 1006503251 /nfs/dbraw/zinc/50/32/51/1006503251.db2.gz BYVCWXAXXQGQPI-BKVYNOPKSA-N 1 0 360.498 2.803 20 10 FFCDRO CNS(=O)(=O)c1cccc2c1CCN(Cc1ccc(N(C)C)c(C)c1)C2 ZINC000815114099 1006512872 /nfs/dbraw/zinc/51/28/72/1006512872.db2.gz OSXOVNLMMZSYFI-UHFFFAOYSA-N 1 0 373.522 2.527 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncc3c(F)cccn32)[NH+](C)C)cc1 ZINC001134882996 1006526742 /nfs/dbraw/zinc/52/67/42/1006526742.db2.gz WOLPDDUYRKHJKU-KRWDZBQOSA-N 1 0 369.444 2.572 20 10 FFCDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000854002973 1006624279 /nfs/dbraw/zinc/62/42/79/1006624279.db2.gz DNRDYIIZVVKLSS-YLJYHZDGSA-N 1 0 374.529 2.710 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)[C@@H](C)C1 ZINC000854299427 1006764597 /nfs/dbraw/zinc/76/45/97/1006764597.db2.gz IRWPVNOJZSTZCP-ZWOKBUDYSA-N 1 0 374.529 2.646 20 10 FFCDRO Cc1c(N)cccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883576544 1006882277 /nfs/dbraw/zinc/88/22/77/1006882277.db2.gz LRRYXFYMTGHXMB-UHFFFAOYSA-N 1 0 353.470 2.651 20 10 FFCDRO COc1cccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)c1 ZINC001135458387 1006946965 /nfs/dbraw/zinc/94/69/65/1006946965.db2.gz MKPSFXTUNLAYOY-SFHVURJKSA-N 1 0 370.449 2.602 20 10 FFCDRO Cc1cc(CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(C)n1-c1ccccc1 ZINC000854690149 1006953362 /nfs/dbraw/zinc/95/33/62/1006953362.db2.gz RDFLEBBAVBTRPC-OAQYLSRUSA-N 1 0 369.509 2.600 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545619 1007106247 /nfs/dbraw/zinc/10/62/47/1007106247.db2.gz YGZLHMYBCDRHPS-IBGZPJMESA-N 1 0 355.482 2.578 20 10 FFCDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000780724859 1007128269 /nfs/dbraw/zinc/12/82/69/1007128269.db2.gz PKCGFYBZBUORFO-MRXNPFEDSA-N 1 0 373.522 2.730 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C)O3)C2)cc1C ZINC001086808289 1007661646 /nfs/dbraw/zinc/66/16/46/1007661646.db2.gz YRPGQKDRUHRGPM-MJKGWSOKSA-N 1 0 360.498 2.946 20 10 FFCDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211170 1007727601 /nfs/dbraw/zinc/72/76/01/1007727601.db2.gz HOZWDYUABJJWAS-UHFFFAOYSA-N 1 0 361.530 2.776 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21 ZINC000817999941 1007830122 /nfs/dbraw/zinc/83/01/22/1007830122.db2.gz ZKAUQVXKWXQNBZ-MAUKXSAKSA-N 1 0 370.522 2.872 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000885941013 1007844133 /nfs/dbraw/zinc/84/41/33/1007844133.db2.gz XRKUDXBJGDSUMA-FQEVSTJZSA-N 1 0 374.525 2.713 20 10 FFCDRO CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818984708 1008000313 /nfs/dbraw/zinc/00/03/13/1008000313.db2.gz DRFVWMJTSYEEJZ-INIZCTEOSA-N 1 0 362.445 2.820 20 10 FFCDRO CN(Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984754 1008000356 /nfs/dbraw/zinc/00/03/56/1008000356.db2.gz GFNKLEFEARUKAT-OAQYLSRUSA-N 1 0 353.510 2.652 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000819003117 1008006562 /nfs/dbraw/zinc/00/65/62/1008006562.db2.gz SHHNMQRMGAMKRG-HXUWFJFHSA-N 1 0 358.457 2.996 20 10 FFCDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000818967874 1008010745 /nfs/dbraw/zinc/01/07/45/1008010745.db2.gz DMHNGVBJEJLSDB-TZIWHRDSSA-N 1 0 367.493 2.520 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1 ZINC000819121626 1008048920 /nfs/dbraw/zinc/04/89/20/1008048920.db2.gz NBOQOQDTZFDZKB-HXUWFJFHSA-N 1 0 362.420 2.749 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH+]2CCC([C@@H](O)c3ccnn3C)CC2)cc1 ZINC000857062844 1008049059 /nfs/dbraw/zinc/04/90/59/1008049059.db2.gz OBTQMJRPVUZOGC-OLEQZPESSA-N 1 0 354.498 2.945 20 10 FFCDRO CC(C)C[N@@H+]1CCC[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819170762 1008057906 /nfs/dbraw/zinc/05/79/06/1008057906.db2.gz OGSFGNYQELHSGS-INIZCTEOSA-N 1 0 359.470 2.524 20 10 FFCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819359716 1008107856 /nfs/dbraw/zinc/10/78/56/1008107856.db2.gz GSPMXTRAYSCRQW-IBGZPJMESA-N 1 0 362.420 2.933 20 10 FFCDRO O[C@H](C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(F)c1 ZINC000819358273 1008107862 /nfs/dbraw/zinc/10/78/62/1008107862.db2.gz BTTVKMUHSHYRRN-GOSISDBHSA-N 1 0 366.383 2.764 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)nn2)C1 ZINC000857695040 1008192063 /nfs/dbraw/zinc/19/20/63/1008192063.db2.gz ZAQGGPFGXXPAQE-UHFFFAOYSA-N 1 0 367.428 2.976 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@@H]1CCCO1 ZINC000858225737 1008328554 /nfs/dbraw/zinc/32/85/54/1008328554.db2.gz IWXWPDVMEVDZQA-YADHBBJMSA-N 1 0 352.478 2.879 20 10 FFCDRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000116350780 1008426321 /nfs/dbraw/zinc/42/63/21/1008426321.db2.gz KTLRWACXYYTYGF-IBGZPJMESA-N 1 0 365.477 2.698 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(F)(F)CC)cc2F)CC1 ZINC000858801607 1008426393 /nfs/dbraw/zinc/42/63/93/1008426393.db2.gz LDLQMTSVJPTZTH-UHFFFAOYSA-N 1 0 372.435 2.812 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000859562428 1008562594 /nfs/dbraw/zinc/56/25/94/1008562594.db2.gz KCTZPKHTNONMPD-NRFANRHFSA-N 1 0 352.482 2.895 20 10 FFCDRO C[N@H+](Cc1ccccc1O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000822739176 1008749299 /nfs/dbraw/zinc/74/92/99/1008749299.db2.gz AQZWTFHSWLPGHX-FQEVSTJZSA-N 1 0 364.486 2.976 20 10 FFCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000886747564 1008858062 /nfs/dbraw/zinc/85/80/62/1008858062.db2.gz YGXJSIXWFJRWLR-MOPGFXCFSA-N 1 0 359.514 2.682 20 10 FFCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000886749554 1008859475 /nfs/dbraw/zinc/85/94/75/1008859475.db2.gz WMECLVWIONMEOC-ZCNNSNEGSA-N 1 0 371.525 2.682 20 10 FFCDRO CCn1nnc(C)c1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823765799 1009220091 /nfs/dbraw/zinc/22/00/91/1009220091.db2.gz YWUWTDBWZYYBSF-UHFFFAOYSA-N 1 0 365.428 2.966 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000823776108 1009224140 /nfs/dbraw/zinc/22/41/40/1009224140.db2.gz KEWABGLBOKITDI-OXJNMPFZSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000823776109 1009224508 /nfs/dbraw/zinc/22/45/08/1009224508.db2.gz KEWABGLBOKITDI-OXQOHEQNSA-N 1 0 357.498 2.655 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001179299676 1009300643 /nfs/dbraw/zinc/30/06/43/1009300643.db2.gz WEIJDAXRHZBMPZ-LJQANCHMSA-N 1 0 364.493 2.872 20 10 FFCDRO COc1cccc(C2([NH3+])CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC001179691194 1009402466 /nfs/dbraw/zinc/40/24/66/1009402466.db2.gz BDVIRXSGZJWFQQ-SOFGYWHQSA-N 1 0 368.433 2.596 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(CN3CCOCC3)cc1)CCC2 ZINC001206727625 1032403140 /nfs/dbraw/zinc/40/31/40/1032403140.db2.gz JUEVMSUHWBRZAG-UHFFFAOYSA-N 1 0 368.477 2.878 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001180129935 1009557251 /nfs/dbraw/zinc/55/72/51/1009557251.db2.gz NAECLPRTAGXXSW-JLHYYAGUSA-N 1 0 365.477 2.522 20 10 FFCDRO COC(=O)Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000862448194 1009849466 /nfs/dbraw/zinc/84/94/66/1009849466.db2.gz VIEWRVUURCGDGI-UHFFFAOYSA-N 1 0 372.440 2.668 20 10 FFCDRO C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000119122196 1010020181 /nfs/dbraw/zinc/02/01/81/1010020181.db2.gz XDDKYCQWUQKUAZ-QGZVFWFLSA-N 1 0 356.514 2.913 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3cnn(CC[NH+](C)C)c3)cc2)CC1 ZINC000865603671 1010826199 /nfs/dbraw/zinc/82/61/99/1010826199.db2.gz LAOWSZJGXJINJI-UHFFFAOYSA-N 1 0 369.513 2.611 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000866528871 1011011708 /nfs/dbraw/zinc/01/17/08/1011011708.db2.gz BJQRLXUUISHWJB-PXNSSMCTSA-N 1 0 360.498 2.760 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1 ZINC000866579074 1011019042 /nfs/dbraw/zinc/01/90/42/1011019042.db2.gz XUONVJJNRVDUTC-CQSZACIVSA-N 1 0 355.438 2.777 20 10 FFCDRO C[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1ccccc1O ZINC000868172230 1011190369 /nfs/dbraw/zinc/19/03/69/1011190369.db2.gz VQSOMWOFDVUPDE-HNNXBMFYSA-N 1 0 357.454 2.893 20 10 FFCDRO CCC[C@H](C)C[NH+]1CC2(C1)COCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001275082237 1011904058 /nfs/dbraw/zinc/90/40/58/1011904058.db2.gz LLGVWMWPMVMZBC-KRWDZBQOSA-N 1 0 359.514 2.602 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCc3nnc(-c4cnn(C)c4)cc3C2)c1O ZINC000828103922 1032599462 /nfs/dbraw/zinc/59/94/62/1032599462.db2.gz FVJATNVNYSBIAB-UHFFFAOYSA-N 1 0 365.437 2.540 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC001275238529 1012122360 /nfs/dbraw/zinc/12/23/60/1012122360.db2.gz KENPERDOVZRCHB-NRFANRHFSA-N 1 0 351.450 2.720 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275238998 1012123662 /nfs/dbraw/zinc/12/36/62/1012123662.db2.gz OKVYGVMHHALAAQ-NRFANRHFSA-N 1 0 360.498 2.942 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001275253987 1012152633 /nfs/dbraw/zinc/15/26/33/1012152633.db2.gz KAEXUQGICXEUHY-SFHVURJKSA-N 1 0 361.829 2.658 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c1O ZINC001275279046 1012190974 /nfs/dbraw/zinc/19/09/74/1012190974.db2.gz GMZCEFGZXXLAAA-SFHVURJKSA-N 1 0 354.397 2.628 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(C)COC2)NC(=O)OC(C)(C)C)cc1 ZINC000796344645 1012237467 /nfs/dbraw/zinc/23/74/67/1012237467.db2.gz HVYLSOYCXMJRRL-QGZVFWFLSA-N 1 0 363.502 2.945 20 10 FFCDRO Nc1ccc(CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000828217951 1032626317 /nfs/dbraw/zinc/62/63/17/1032626317.db2.gz SSSFKAMTTCXBFK-UHFFFAOYSA-N 1 0 351.494 2.978 20 10 FFCDRO CCN1CC[C@@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2ccc(OC)cc2)C3)C1 ZINC001173356485 1012483454 /nfs/dbraw/zinc/48/34/54/1012483454.db2.gz BAZSMYIMFNGCIQ-IRLDBZIGSA-N 1 0 373.541 2.708 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173763471 1012955623 /nfs/dbraw/zinc/95/56/23/1012955623.db2.gz HAGMKACUMQNLHZ-CABCVRRESA-N 1 0 366.469 2.715 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000780188650 1017237923 /nfs/dbraw/zinc/23/79/23/1017237923.db2.gz PHHMTBODWAJAJQ-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000924729375 1017451714 /nfs/dbraw/zinc/45/17/14/1017451714.db2.gz MTBRDSWPAVGWKC-UEXGIBASSA-N 1 0 361.530 2.808 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cc(OC)no3)cc2F)CC1 ZINC000924995751 1017574561 /nfs/dbraw/zinc/57/45/61/1017574561.db2.gz IYOYSYCTYSUYRB-AWEZNQCLSA-N 1 0 362.449 2.815 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925309572 1017701678 /nfs/dbraw/zinc/70/16/78/1017701678.db2.gz HYMNOMXCDYYBKZ-GOSISDBHSA-N 1 0 371.481 2.954 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)CCCCCC[NH3+])cc2F)C[C@H](C)O1 ZINC000827363955 1017773453 /nfs/dbraw/zinc/77/34/53/1017773453.db2.gz AYWSCCNLLRIIRP-HOTGVXAUSA-N 1 0 365.493 2.965 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000827365315 1017776740 /nfs/dbraw/zinc/77/67/40/1017776740.db2.gz OYGXFLFIFSQTQJ-STXHMFSFSA-N 1 0 371.456 2.756 20 10 FFCDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827357490 1017778195 /nfs/dbraw/zinc/77/81/95/1017778195.db2.gz SUTYFPSSHBBKQE-AEFFLSMTSA-N 1 0 363.477 2.576 20 10 FFCDRO NC(=O)C1CCN(c2ccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000925776232 1017847951 /nfs/dbraw/zinc/84/79/51/1017847951.db2.gz FNFUJPJFSVIKCV-SFTDATJTSA-N 1 0 364.493 2.623 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000749115627 1018176062 /nfs/dbraw/zinc/17/60/62/1018176062.db2.gz JJCWFMFBCAOUQW-PXNSSMCTSA-N 1 0 360.546 2.516 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000827798153 1018692147 /nfs/dbraw/zinc/69/21/47/1018692147.db2.gz LYIWCLOCFQYBGM-HXUWFJFHSA-N 1 0 371.525 2.889 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222253966 1032851764 /nfs/dbraw/zinc/85/17/64/1032851764.db2.gz UBMZHOVKPJDXTC-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO c1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1C1CC1 ZINC000930058259 1019847303 /nfs/dbraw/zinc/84/73/03/1019847303.db2.gz JIGPNSZIRSDCSO-GOSISDBHSA-N 1 0 367.497 2.829 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccnn2CC2CC2)[NH+](C)C)cc1 ZINC000930928858 1020242620 /nfs/dbraw/zinc/24/26/20/1020242620.db2.gz VZMIZDIWMVIRAC-SFHVURJKSA-N 1 0 370.501 2.784 20 10 FFCDRO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(N2CCOCC2)cc1 ZINC000802653534 1020297282 /nfs/dbraw/zinc/29/72/82/1020297282.db2.gz WJQOHWVBUPYBBT-UHFFFAOYSA-N 1 0 373.522 2.723 20 10 FFCDRO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000726183831 1020429018 /nfs/dbraw/zinc/42/90/18/1020429018.db2.gz PLZUDPHQDBWPMS-HNNXBMFYSA-N 1 0 373.384 2.656 20 10 FFCDRO CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000726247394 1020443068 /nfs/dbraw/zinc/44/30/68/1020443068.db2.gz SIJHSSIHFVMKSI-QGZVFWFLSA-N 1 0 374.529 2.615 20 10 FFCDRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCN2)cc1 ZINC000931546920 1020509702 /nfs/dbraw/zinc/50/97/02/1020509702.db2.gz KKHSMFRECYHROW-QFIPXVFZSA-N 1 0 367.493 2.678 20 10 FFCDRO C[NH2+][C@H]1C[C@@H](Oc2cc(OC)cc3c2C(=O)c2c(O)cc(C)cc2C3=O)C1 ZINC001217955774 1032917930 /nfs/dbraw/zinc/91/79/30/1032917930.db2.gz KAVDZZINKGVQIB-BJHJDKERSA-N 1 0 367.401 2.614 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CCC[NH2+]C[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217947979 1032913883 /nfs/dbraw/zinc/91/38/83/1032913883.db2.gz LDXFAEIGYVOMNX-RDJZCZTQSA-N 1 0 369.392 2.945 20 10 FFCDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217979292 1032928913 /nfs/dbraw/zinc/92/89/13/1032928913.db2.gz FTMRIIUTRIQMCI-RHSMWYFYSA-N 1 0 369.392 2.945 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CCCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217973330 1032926937 /nfs/dbraw/zinc/92/69/37/1032926937.db2.gz IGTWPQIIOBRFQS-CYBMUJFWSA-N 1 0 351.402 2.997 20 10 FFCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001217986223 1032934972 /nfs/dbraw/zinc/93/49/72/1032934972.db2.gz FIEKTNNXROWHGL-ABAIWWIYSA-N 1 0 367.401 2.640 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000778171909 1021009764 /nfs/dbraw/zinc/00/97/64/1021009764.db2.gz CHRZKUMIPULKPZ-FQEVSTJZSA-N 1 0 359.514 2.602 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116585299 1021295436 /nfs/dbraw/zinc/29/54/36/1021295436.db2.gz WRYGTYAVIMBGIB-CZUORRHYSA-N 1 0 360.479 2.947 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218059467 1032973103 /nfs/dbraw/zinc/97/31/03/1032973103.db2.gz JNGOXFLCCCPGMK-CHWSQXEVSA-N 1 0 351.402 2.990 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[NH2+]C[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218066535 1032978521 /nfs/dbraw/zinc/97/85/21/1032978521.db2.gz LTWIQFWOLVHHRU-LSDHHAIUSA-N 1 0 355.365 2.549 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)cc2c1C(=O)c1ccccc1C2=O ZINC001218110925 1033004552 /nfs/dbraw/zinc/00/45/52/1033004552.db2.gz LEJWHDYKQXJSPE-SNUQEOBHSA-N 1 0 363.413 2.908 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC3)C[C@H]2C(F)(F)F)cc1C ZINC001099196772 1022057158 /nfs/dbraw/zinc/05/71/58/1022057158.db2.gz LEGFVJYIBQOHJM-HUUCEWRRSA-N 1 0 356.388 2.893 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccccc1O ZINC000155562951 1022266457 /nfs/dbraw/zinc/26/64/57/1022266457.db2.gz QVWMKEVWSBHEGO-UZLBHIALSA-N 1 0 353.422 2.688 20 10 FFCDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c1 ZINC001118531150 1022276353 /nfs/dbraw/zinc/27/63/53/1022276353.db2.gz BNBUJHVDXQCNJH-FPOVZHCZSA-N 1 0 355.434 2.990 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1Cl ZINC001118640637 1022331443 /nfs/dbraw/zinc/33/14/43/1022331443.db2.gz MCXVVYXQIOUCMW-MRXNPFEDSA-N 1 0 355.862 2.859 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)cc2F)CC1 ZINC001118861160 1022447889 /nfs/dbraw/zinc/44/78/89/1022447889.db2.gz ZPQQVHKDDIGGDV-FQEVSTJZSA-N 1 0 369.484 2.809 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC001118863344 1022448892 /nfs/dbraw/zinc/44/88/92/1022448892.db2.gz NYEUHJIGTXVWEN-UHFFFAOYSA-N 1 0 367.449 2.786 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)cc1C ZINC001020165318 1022569716 /nfs/dbraw/zinc/56/97/16/1022569716.db2.gz SLYNVCMOVAZYKB-JPLJXNOCSA-N 1 0 360.498 2.802 20 10 FFCDRO Cc1cc(O[C@H]2CCC3(C[NH2+]C3)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218239889 1033065589 /nfs/dbraw/zinc/06/55/89/1033065589.db2.gz WZVFMTWPPXGPJB-ZDUSSCGKSA-N 1 0 363.413 2.997 20 10 FFCDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159955735 1022852537 /nfs/dbraw/zinc/85/25/37/1022852537.db2.gz MWZCLYJVXNVVQD-GJZGRUSLSA-N 1 0 364.486 2.926 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276780025 1033087707 /nfs/dbraw/zinc/08/77/07/1033087707.db2.gz JCLBPLOYWWNRES-JLTOFOAXSA-N 1 0 362.470 2.807 20 10 FFCDRO O=C1C[C@@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276780487 1033091672 /nfs/dbraw/zinc/09/16/72/1033091672.db2.gz OBLBAOCHGLMSFO-HXUWFJFHSA-N 1 0 360.454 2.703 20 10 FFCDRO O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276781079 1033100964 /nfs/dbraw/zinc/10/09/64/1033100964.db2.gz TVIWHFMVYZMFTK-HXUWFJFHSA-N 1 0 360.454 2.561 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218314214 1033101331 /nfs/dbraw/zinc/10/13/31/1033101331.db2.gz GQDUBLXHXONSHN-OAHLLOKOSA-N 1 0 367.401 2.640 20 10 FFCDRO O=C(c1cccc2c1CCN2)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001122330324 1023194855 /nfs/dbraw/zinc/19/48/55/1023194855.db2.gz GZOQDJNEAOULBN-HOTGVXAUSA-N 1 0 363.461 2.777 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000752830406 1023211259 /nfs/dbraw/zinc/21/12/59/1023211259.db2.gz DOJXLRPIPQEANN-ROUUACIJSA-N 1 0 374.529 2.505 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1ccn(C)n1 ZINC000756361370 1023701590 /nfs/dbraw/zinc/70/15/90/1023701590.db2.gz YCYYESKKLJALBG-HXUWFJFHSA-N 1 0 371.529 2.682 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1[O-] ZINC000756508332 1023720569 /nfs/dbraw/zinc/72/05/69/1023720569.db2.gz IMIMZSXYINCENY-INIZCTEOSA-N 1 0 358.461 2.789 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c2c1c(F)ccc2O ZINC000756837721 1023758139 /nfs/dbraw/zinc/75/81/39/1023758139.db2.gz JBRRMVLJESQKJV-HKCMKHECSA-N 1 0 358.417 2.597 20 10 FFCDRO O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3C[NH2+]CCC3(F)F)cccc21 ZINC001218447947 1033160052 /nfs/dbraw/zinc/16/00/52/1033160052.db2.gz KIYJJTMZTUGTBD-CQSZACIVSA-N 1 0 359.328 2.544 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CC[C@H]3C[NH2+]C[C@H]31)C(=O)c1ccccc1C2=O ZINC001218462814 1033168847 /nfs/dbraw/zinc/16/88/47/1033168847.db2.gz XWYOBTSULZLHBQ-JCURWCKSSA-N 1 0 363.413 2.847 20 10 FFCDRO CC[NH+](CC)CCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000191838522 1023928246 /nfs/dbraw/zinc/92/82/46/1023928246.db2.gz QOPWOFSCCIFKEV-UHFFFAOYSA-N 1 0 365.518 2.566 20 10 FFCDRO COC1CC[NH+](C2(CNC(=O)/C=C/c3ccc(O)c(O)c3)CCCC2)CC1 ZINC000779515550 1023948425 /nfs/dbraw/zinc/94/84/25/1023948425.db2.gz UKKRKXSVQAWLDI-FNORWQNLSA-N 1 0 374.481 2.651 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1coc([C@@H]2CCC[NH2+]2)n1 ZINC001121909833 1024159334 /nfs/dbraw/zinc/15/93/34/1024159334.db2.gz CWVVKEKCMPVOPA-INIZCTEOSA-N 1 0 372.494 2.582 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC=C(C(C)(C)C)CC1)cc2=O ZINC000759264103 1024541757 /nfs/dbraw/zinc/54/17/57/1024541757.db2.gz RHXAPNSGSDRLLG-UHFFFAOYSA-N 1 0 358.442 2.790 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](F)[C@@](O)(C(F)(F)F)CC3)ccc21 ZINC001141140165 1025506802 /nfs/dbraw/zinc/50/68/02/1025506802.db2.gz IVXWDTPXJABNNW-JKSUJKDBSA-N 1 0 362.367 2.743 20 10 FFCDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141159325 1025542834 /nfs/dbraw/zinc/54/28/34/1025542834.db2.gz AGNOKUGOPVZZKI-GOSISDBHSA-N 1 0 352.434 2.736 20 10 FFCDRO O=C1C[C@@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001141159704 1025543203 /nfs/dbraw/zinc/54/32/03/1025543203.db2.gz INLFLWHZFDRFEL-OAQYLSRUSA-N 1 0 367.449 2.650 20 10 FFCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000837881764 1026081755 /nfs/dbraw/zinc/08/17/55/1026081755.db2.gz HFVZVPHULGCESX-HKUYNNGSSA-N 1 0 374.529 2.710 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H]1C ZINC000838533331 1026402155 /nfs/dbraw/zinc/40/21/55/1026402155.db2.gz LZZLGTAHUSFCEO-SJORKVTESA-N 1 0 356.514 2.768 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccccc1O ZINC000838906648 1026530973 /nfs/dbraw/zinc/53/09/73/1026530973.db2.gz LQMXJUNTPBFJMZ-HOTGVXAUSA-N 1 0 367.449 2.896 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cccc3c2OCO3)cc(F)c1N1CCOCC1 ZINC000839148396 1026606019 /nfs/dbraw/zinc/60/60/19/1026606019.db2.gz IRRZPQQOEQKAKM-UHFFFAOYSA-N 1 0 362.376 2.820 20 10 FFCDRO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1O ZINC000839172652 1026610528 /nfs/dbraw/zinc/61/05/28/1026610528.db2.gz PHPIDNNDCUUWEO-MJGOQNOKSA-N 1 0 374.506 2.948 20 10 FFCDRO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1C ZINC000839540062 1026722251 /nfs/dbraw/zinc/72/22/51/1026722251.db2.gz QSSVHRAYEAMDIF-LLVKDONJSA-N 1 0 360.410 2.666 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3NC)cc2F)CC1 ZINC000839663890 1026783764 /nfs/dbraw/zinc/78/37/64/1026783764.db2.gz MCNWPILOJXDEMR-UHFFFAOYSA-N 1 0 370.472 2.939 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2csc(NC3CC3)n2)[NH+](C)C)cc1 ZINC001158717372 1027105571 /nfs/dbraw/zinc/10/55/71/1027105571.db2.gz NTZBWTRCXCVFKY-QGZVFWFLSA-N 1 0 373.526 2.816 20 10 FFCDRO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(O)c1O ZINC001158717650 1027105901 /nfs/dbraw/zinc/10/59/01/1027105901.db2.gz QHQJEIULYIVZCQ-QGZVFWFLSA-N 1 0 357.454 2.505 20 10 FFCDRO COCCC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000092126397 1027227709 /nfs/dbraw/zinc/22/77/09/1027227709.db2.gz MRARCZGWXXOHLN-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO COC(=O)CCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093341525 1027698533 /nfs/dbraw/zinc/69/85/33/1027698533.db2.gz BFDAWYNDDLRMAJ-UHFFFAOYSA-N 1 0 364.461 2.828 20 10 FFCDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093455439 1027728841 /nfs/dbraw/zinc/72/88/41/1027728841.db2.gz WTABQXGRZDKHHS-OAQYLSRUSA-N 1 0 356.441 2.754 20 10 FFCDRO [NH3+][C@H](c1ccccc1O)[C@H](Nc1ccnc2ccnn21)c1ccccc1O ZINC001160616021 1027777657 /nfs/dbraw/zinc/77/76/57/1027777657.db2.gz AVHQMKXQWVRNIV-WOJBJXKFSA-N 1 0 361.405 2.994 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000093843615 1027851699 /nfs/dbraw/zinc/85/16/99/1027851699.db2.gz UXITVWZTTJBBLU-LJQANCHMSA-N 1 0 372.557 2.661 20 10 FFCDRO [NH3+][C@@H](CC1CCC1)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534167 1028217977 /nfs/dbraw/zinc/21/79/77/1028217977.db2.gz GTCLJRGXOMJSLJ-INIZCTEOSA-N 1 0 371.403 2.751 20 10 FFCDRO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161534764 1028220448 /nfs/dbraw/zinc/22/04/48/1028220448.db2.gz SUBDIYCSTIIYGN-INIZCTEOSA-N 1 0 373.419 2.868 20 10 FFCDRO C[NH+]1C(C)(C)CC(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)CC1(C)C ZINC001155233560 1028639892 /nfs/dbraw/zinc/63/98/92/1028639892.db2.gz CHJWBEYOJYDNQG-UHFFFAOYSA-N 1 0 374.437 2.585 20 10 FFCDRO NC(=O)c1cc(F)cnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155640999 1028831248 /nfs/dbraw/zinc/83/12/48/1028831248.db2.gz SBSKXSYPHUHIBF-OSGQAZFXSA-N 1 0 370.472 2.719 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncnc4cc[nH]c43)CC2)cc1 ZINC001156256569 1029115376 /nfs/dbraw/zinc/11/53/76/1029115376.db2.gz FQTNVHWQCCDBGU-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc(Cl)nc4nc[nH]c43)cc2)CC1 ZINC001156656691 1029291293 /nfs/dbraw/zinc/29/12/93/1029291293.db2.gz YKSINUZLPJIHPQ-UHFFFAOYSA-N 1 0 356.861 2.975 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccccc3S(C)(=O)=O)CC2)cc1 ZINC000840863719 1029895750 /nfs/dbraw/zinc/89/57/50/1029895750.db2.gz PTNUDISMLCSTFS-UHFFFAOYSA-N 1 0 374.506 2.857 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000840958311 1029943110 /nfs/dbraw/zinc/94/31/10/1029943110.db2.gz PACCLWCOTRAUCW-FCHUYYIVSA-N 1 0 351.494 2.746 20 10 FFCDRO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000840963110 1029947833 /nfs/dbraw/zinc/94/78/33/1029947833.db2.gz YOLOZISCRNMCOR-LJQANCHMSA-N 1 0 369.465 2.733 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccccc2C[NH2+]C)cc1 ZINC000841016737 1029978671 /nfs/dbraw/zinc/97/86/71/1029978671.db2.gz NXMTWBIHQRBWBA-UHFFFAOYSA-N 1 0 368.481 2.507 20 10 FFCDRO COc1cc(OC)c(OC)cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044725 1029998703 /nfs/dbraw/zinc/99/87/03/1029998703.db2.gz YCAKWGYMYUAFOP-KRWDZBQOSA-N 1 0 359.470 2.568 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000783520561 1030135799 /nfs/dbraw/zinc/13/57/99/1030135799.db2.gz APIVJYYLIRPTBL-CYBMUJFWSA-N 1 0 372.421 2.694 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H](c2cncn2C)CC1=O ZINC000783977527 1030382301 /nfs/dbraw/zinc/38/23/01/1030382301.db2.gz UPEJGQVHHFNHQW-SFHVURJKSA-N 1 0 369.513 2.670 20 10 FFCDRO [NH3+]CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710285 1030421479 /nfs/dbraw/zinc/42/14/79/1030421479.db2.gz VJSGAWHJLTXSEA-UHFFFAOYSA-N 1 0 352.482 2.957 20 10 FFCDRO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709118 1030422110 /nfs/dbraw/zinc/42/21/10/1030422110.db2.gz CBSQKYNARXSNTQ-UHFFFAOYSA-N 1 0 366.509 3.000 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000841730744 1030432691 /nfs/dbraw/zinc/43/26/91/1030432691.db2.gz VNQCBRFBGGVJLM-MRXNPFEDSA-N 1 0 368.481 2.542 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)ccc21 ZINC000841759451 1030446686 /nfs/dbraw/zinc/44/66/86/1030446686.db2.gz OAZSQALQXGTPBU-FQEVSTJZSA-N 1 0 370.541 2.989 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)ccc21 ZINC000841758519 1030447014 /nfs/dbraw/zinc/44/70/14/1030447014.db2.gz IIBSZAYYRUCWMK-MOPGFXCFSA-N 1 0 356.514 2.600 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC000841760430 1030448130 /nfs/dbraw/zinc/44/81/30/1030448130.db2.gz VONMUNVYGKJLCA-PMACEKPBSA-N 1 0 370.541 2.990 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@@H]3[NH2+]CCc4ccccc43)ccc21 ZINC000841760393 1030448406 /nfs/dbraw/zinc/44/84/06/1030448406.db2.gz VEIRLHOBJQNWEU-FQEVSTJZSA-N 1 0 364.493 2.755 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C3(O)CCOCC3)CC2)cc1 ZINC000841763498 1030449375 /nfs/dbraw/zinc/44/93/75/1030449375.db2.gz YSDYDNPCHBLUOV-UHFFFAOYSA-N 1 0 362.514 2.821 20 10 FFCDRO COc1ncc(/C=C/C(=O)N2CCC[C@H]([NH3+])c3cc(C)ccc32)c(OC)n1 ZINC001142454034 1030477046 /nfs/dbraw/zinc/47/70/46/1030477046.db2.gz WFWCZWCAIFGLHF-DYLHUKMJSA-N 1 0 368.437 2.642 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000841895188 1030526704 /nfs/dbraw/zinc/52/67/04/1030526704.db2.gz WQQGMSWODAYOHP-UHFFFAOYSA-N 1 0 363.502 2.604 20 10 FFCDRO COC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2cn(CC3CCOCC3)nc21 ZINC001203552067 1030759526 /nfs/dbraw/zinc/75/95/26/1030759526.db2.gz YWOQBUUKKBWSOC-IBGZPJMESA-N 1 0 371.481 2.761 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001203602897 1030780999 /nfs/dbraw/zinc/78/09/99/1030780999.db2.gz BMSYPHUUWIREAD-KDURUIRLSA-N 1 0 353.466 2.750 20 10 FFCDRO COc1cccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1O ZINC001203601994 1030781841 /nfs/dbraw/zinc/78/18/41/1030781841.db2.gz VVSWQEMFJDSPKK-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)c(O)c1 ZINC001203629958 1030794419 /nfs/dbraw/zinc/79/44/19/1030794419.db2.gz OYBMUKLEGOXURR-DLBZAZTESA-N 1 0 373.478 2.541 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203629385 1030795897 /nfs/dbraw/zinc/79/58/97/1030795897.db2.gz ZNTPANMOKUIAKJ-UHFFFAOYSA-N 1 0 356.422 2.510 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)c(O)c1 ZINC001203630473 1030796662 /nfs/dbraw/zinc/79/66/62/1030796662.db2.gz SYPXBANDNNSUQU-HNAYVOBHSA-N 1 0 370.424 2.886 20 10 FFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203635059 1030798448 /nfs/dbraw/zinc/79/84/48/1030798448.db2.gz IDNFRHQFEBZBEU-UHFFFAOYSA-N 1 0 370.335 2.614 20 10 FFCDRO O=C(COC1CC[NH+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC001203665801 1030814709 /nfs/dbraw/zinc/81/47/09/1030814709.db2.gz VFVVHYQOXDTAET-UHFFFAOYSA-N 1 0 352.862 2.649 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1 ZINC001203669776 1030815873 /nfs/dbraw/zinc/81/58/73/1030815873.db2.gz DKDGTDRQXDEAGL-HDICACEKSA-N 1 0 352.434 2.605 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001203673169 1030822296 /nfs/dbraw/zinc/82/22/96/1030822296.db2.gz PNQPSKKOAUDBOM-GHTZIAJQSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c1 ZINC001203673273 1030822764 /nfs/dbraw/zinc/82/27/64/1030822764.db2.gz UACAEPWVVAXOSP-KPFFTGBYSA-N 1 0 356.422 2.607 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(O)cc1C ZINC000842636408 1030863220 /nfs/dbraw/zinc/86/32/20/1030863220.db2.gz YGOUWMIKXVNMLC-QGZVFWFLSA-N 1 0 354.450 2.848 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)cc1O ZINC001203877781 1030952348 /nfs/dbraw/zinc/95/23/48/1030952348.db2.gz JHLQTIRZRBTGDF-GHTZIAJQSA-N 1 0 370.449 2.833 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1O ZINC001203878414 1030952568 /nfs/dbraw/zinc/95/25/68/1030952568.db2.gz TXZHUEVDOXIQNT-TZIWHRDSSA-N 1 0 370.449 2.943 20 10 FFCDRO Oc1ccc(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)cc1O ZINC001203879471 1030955655 /nfs/dbraw/zinc/95/56/55/1030955655.db2.gz RLMRCLUYDBMVMN-UHFFFAOYSA-N 1 0 352.394 2.922 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cc1 ZINC001203931520 1030989654 /nfs/dbraw/zinc/98/96/54/1030989654.db2.gz INPUDGOPTJRGAC-NQIIRXRSSA-N 1 0 353.466 2.675 20 10 FFCDRO CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)O1 ZINC001203931084 1030990022 /nfs/dbraw/zinc/99/00/22/1030990022.db2.gz BASZYYUKEZIOBS-TZIWHRDSSA-N 1 0 374.529 2.537 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)cc1 ZINC001203936472 1030995148 /nfs/dbraw/zinc/99/51/48/1030995148.db2.gz FRMYSYNTQPAMBF-UHFFFAOYSA-N 1 0 363.465 2.695 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)[C@H]1c1ccccc1 ZINC001204347471 1031243873 /nfs/dbraw/zinc/24/38/73/1031243873.db2.gz SJJBFKWFCNSVMW-QAPCUYQASA-N 1 0 357.406 2.843 20 10 FFCDRO CCCOc1ccc(OCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000843296301 1031294292 /nfs/dbraw/zinc/29/42/92/1031294292.db2.gz ADVIHNARKKXXML-FQEVSTJZSA-N 1 0 371.481 2.736 20 10 FFCDRO Cc1cccc(OCCCNC(=O)CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843350982 1031343699 /nfs/dbraw/zinc/34/36/99/1031343699.db2.gz ZFMATKBCKKZXGI-UHFFFAOYSA-N 1 0 367.493 2.792 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N[C@H]1CCOc2ccccc21 ZINC000843350593 1031344781 /nfs/dbraw/zinc/34/47/81/1031344781.db2.gz VLEFEFPPPQXHCG-SFHVURJKSA-N 1 0 351.450 2.538 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000843489980 1031427389 /nfs/dbraw/zinc/42/73/89/1031427389.db2.gz UWKFVYQMMURQRB-OAHLLOKOSA-N 1 0 354.450 2.899 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)cc1 ZINC000843503924 1031434779 /nfs/dbraw/zinc/43/47/79/1031434779.db2.gz CCSBCYNIRPQLEV-YKCBXCCJSA-N 1 0 357.498 2.558 20 10 FFCDRO CCOCC[NH+]1CCC2(CCN(Cc3ccc(N(C)C)cc3)C2=O)CC1 ZINC001276874108 1033346856 /nfs/dbraw/zinc/34/68/56/1033346856.db2.gz CREIAXUPSDHRMY-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)n1-c1ccc(F)cn1 ZINC000830008873 1033427009 /nfs/dbraw/zinc/42/70/09/1033427009.db2.gz KMVLDVRMEDIPSM-NRFANRHFSA-N 1 0 370.472 2.839 20 10 FFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(CO)cc1 ZINC000830544056 1033666634 /nfs/dbraw/zinc/66/66/34/1033666634.db2.gz KONDMQSUVCHLFY-GOSISDBHSA-N 1 0 374.868 2.932 20 10 FFCDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001219653308 1033733322 /nfs/dbraw/zinc/73/33/22/1033733322.db2.gz CLTRXVMCDIISFT-KGLIPLIRSA-N 1 0 358.511 2.852 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2CN1CC1CC1 ZINC001138216957 1033968118 /nfs/dbraw/zinc/96/81/18/1033968118.db2.gz QTEUJXDYPTVJNZ-FPOVZHCZSA-N 1 0 353.510 2.977 20 10 FFCDRO COc1cccc([C@@H]2[C@@H](NC(=O)Cc3ccc(N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000831528500 1034113687 /nfs/dbraw/zinc/11/36/87/1034113687.db2.gz RJZDKQBTGNURFU-RBBKRZOGSA-N 1 0 365.477 2.914 20 10 FFCDRO CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000831560878 1034124975 /nfs/dbraw/zinc/12/49/75/1034124975.db2.gz HBZFGJGKSAWUNH-PZJWPPBQSA-N 1 0 371.525 2.650 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277025110 1034165398 /nfs/dbraw/zinc/16/53/98/1034165398.db2.gz BCTDTNAMQGTAMT-VBKZILBWSA-N 1 0 362.445 2.979 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)CC[C@@H]21 ZINC001138342078 1034172181 /nfs/dbraw/zinc/17/21/81/1034172181.db2.gz YDKXMMMUSHDOGX-LPHOPBHVSA-N 1 0 369.509 2.534 20 10 FFCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C(C)C)C1 ZINC001138341778 1034172254 /nfs/dbraw/zinc/17/22/54/1034172254.db2.gz KCBDHZPPNVSXRV-LJQANCHMSA-N 1 0 371.525 2.922 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3C[C@H]4CCN(c5ncccn5)C[C@H]4C3)ccc21 ZINC001138355865 1034192867 /nfs/dbraw/zinc/19/28/67/1034192867.db2.gz AJNFJPQRYCOITG-WOJBJXKFSA-N 1 0 363.509 2.817 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000831748877 1034255167 /nfs/dbraw/zinc/25/51/67/1034255167.db2.gz QIJKBGHXMOFWDM-RCCFBDPRSA-N 1 0 359.514 2.664 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000831749096 1034256521 /nfs/dbraw/zinc/25/65/21/1034256521.db2.gz XXTSIMSWHGWVEP-IRXDYDNUSA-N 1 0 359.514 2.664 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCC2 ZINC001138499546 1034340238 /nfs/dbraw/zinc/34/02/38/1034340238.db2.gz PZIHZPMDLBOBBG-UHFFFAOYSA-N 1 0 354.450 2.883 20 10 FFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499395 1034340966 /nfs/dbraw/zinc/34/09/66/1034340966.db2.gz HSLLUDIBHHBKDT-IHPCNDPISA-N 1 0 358.482 2.687 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000832272642 1034693899 /nfs/dbraw/zinc/69/38/99/1034693899.db2.gz HZELXSYDNGAROU-INIZCTEOSA-N 1 0 363.408 2.713 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000832272620 1034693934 /nfs/dbraw/zinc/69/39/34/1034693934.db2.gz HRKCHAMTCAJGCL-INIZCTEOSA-N 1 0 370.478 2.828 20 10 FFCDRO CCc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]c(C)c1C(C)=O ZINC000832273444 1034696418 /nfs/dbraw/zinc/69/64/18/1034696418.db2.gz OCAJMXNQQZJYTQ-QGZVFWFLSA-N 1 0 356.470 2.584 20 10 FFCDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279899 1034698055 /nfs/dbraw/zinc/69/80/55/1034698055.db2.gz MNMHNXRQTSGKGB-SGTLLEGYSA-N 1 0 363.408 2.614 20 10 FFCDRO COc1ccc(C2(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)CCC2)cc1 ZINC000832280766 1034699458 /nfs/dbraw/zinc/69/94/58/1034699458.db2.gz QUKGTEAQOFOYQM-FQEVSTJZSA-N 1 0 367.493 2.999 20 10 FFCDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000832284916 1034702643 /nfs/dbraw/zinc/70/26/43/1034702643.db2.gz OAZZEJYOJQGQKD-GOSISDBHSA-N 1 0 371.481 2.978 20 10 FFCDRO COc1cc(CN2CC(Oc3ccc(F)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139257975 1035031999 /nfs/dbraw/zinc/03/19/99/1035031999.db2.gz JDAIAXOGLYLRKU-UHFFFAOYSA-N 1 0 360.429 2.865 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)C1=O ZINC001139670877 1035194397 /nfs/dbraw/zinc/19/43/97/1035194397.db2.gz BZFQSPBFKBBXFK-UHFFFAOYSA-N 1 0 359.514 2.522 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)c1O ZINC001140180803 1035370432 /nfs/dbraw/zinc/37/04/32/1035370432.db2.gz MCJQADGLYWRQNF-LJQANCHMSA-N 1 0 366.527 2.789 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cc2)C1 ZINC000834523253 1035403639 /nfs/dbraw/zinc/40/36/39/1035403639.db2.gz QSCCKFVMOHVBLO-MJGOQNOKSA-N 1 0 365.477 2.871 20 10 FFCDRO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc(Cl)cc2O)C1)N1CCCC1 ZINC001140463168 1035484735 /nfs/dbraw/zinc/48/47/35/1035484735.db2.gz VTKKVMSRFCERIO-YXJHDRRASA-N 1 0 364.873 2.647 20 10 FFCDRO COCCN1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1=O ZINC001140465302 1035485042 /nfs/dbraw/zinc/48/50/42/1035485042.db2.gz NLVRVROBXXNBGE-UHFFFAOYSA-N 1 0 352.862 2.507 20 10 FFCDRO O=C1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]2C(=O)N1Cc1ccccc1 ZINC001140465844 1035485444 /nfs/dbraw/zinc/48/54/44/1035485444.db2.gz RUOVIGDCTGIIHL-CALCHBBNSA-N 1 0 370.836 2.663 20 10 FFCDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001140465701 1035485733 /nfs/dbraw/zinc/48/57/33/1035485733.db2.gz RGOAXTCPDCUZLY-BEFAXECRSA-N 1 0 360.841 2.968 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232194290 1035494184 /nfs/dbraw/zinc/49/41/84/1035494184.db2.gz HUCZOQKTGPPGBD-UHFFFAOYSA-N 1 0 366.889 2.952 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@H]1C ZINC001232203462 1035499020 /nfs/dbraw/zinc/49/90/20/1035499020.db2.gz WGUBEDAJVWXMNN-GOEBONIOSA-N 1 0 366.889 2.950 20 10 FFCDRO O=C(c1ccco1)N1C[C@@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232259963 1035530982 /nfs/dbraw/zinc/53/09/82/1035530982.db2.gz NFTNSAJIQRFUPT-BETUJISGSA-N 1 0 362.813 2.548 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]2CN1c1ccsc1 ZINC001232261843 1035533440 /nfs/dbraw/zinc/53/34/40/1035533440.db2.gz QMZAUQABEMNVNI-AAEUAGOBSA-N 1 0 364.854 2.908 20 10 FFCDRO Cc1cc(CC(=O)N[C@H](CO)C[NH+]2CCCCC2)c(C)n1-c1ccccc1 ZINC001140510317 1035538791 /nfs/dbraw/zinc/53/87/91/1035538791.db2.gz MRYVVWBYPBKDSL-FQEVSTJZSA-N 1 0 369.509 2.600 20 10 FFCDRO CC[NH+](CC)CCCN1CCN(Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232270072 1035541108 /nfs/dbraw/zinc/54/11/08/1035541108.db2.gz RXPNFILJJUDWTK-UHFFFAOYSA-N 1 0 369.937 2.904 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001277212143 1035568957 /nfs/dbraw/zinc/56/89/57/1035568957.db2.gz DSJUJXNNZROCBK-IIBYNOLFSA-N 1 0 359.514 2.984 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c2ccccc2n1C ZINC001232402207 1035652338 /nfs/dbraw/zinc/65/23/38/1035652338.db2.gz IWSBJSAFAMSRQE-QGZVFWFLSA-N 1 0 370.371 2.712 20 10 FFCDRO O=C1C[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)C(=O)N1CC(F)F ZINC001277231686 1035671240 /nfs/dbraw/zinc/67/12/40/1035671240.db2.gz FFYXJVGNIQZOPO-KRWDZBQOSA-N 1 0 372.799 2.652 20 10 FFCDRO COC[C@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140620644 1035746602 /nfs/dbraw/zinc/74/66/02/1035746602.db2.gz WUVIICKHVWAXLU-IBGZPJMESA-N 1 0 372.509 2.798 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001140620333 1035746798 /nfs/dbraw/zinc/74/67/98/1035746798.db2.gz KEDXASKVMMDJER-PMACEKPBSA-N 1 0 353.466 2.571 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)c1 ZINC001140621991 1035748750 /nfs/dbraw/zinc/74/87/50/1035748750.db2.gz UBNHUQYZPZXBHA-RTWAWAEBSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1O ZINC001140748081 1036045106 /nfs/dbraw/zinc/04/51/06/1036045106.db2.gz GASYYXWWEXLIMI-HHXXYDBFSA-N 1 0 370.449 2.860 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c1O ZINC001140748791 1036048373 /nfs/dbraw/zinc/04/83/73/1036048373.db2.gz RMLAFGJJJAVCAC-UHFFFAOYSA-N 1 0 354.450 2.579 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c1O ZINC001140748456 1036048549 /nfs/dbraw/zinc/04/85/49/1036048549.db2.gz KXWHTXYYHLELJA-LJQANCHMSA-N 1 0 352.434 2.860 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)c(O)c1 ZINC001232837517 1036089038 /nfs/dbraw/zinc/08/90/38/1036089038.db2.gz KFDCUYVXBUSWHQ-OAQYLSRUSA-N 1 0 351.450 2.578 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001232836866 1036089164 /nfs/dbraw/zinc/08/91/64/1036089164.db2.gz VLQOMKYSTOSNIV-NVXWUHKLSA-N 1 0 361.486 2.899 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001232837684 1036092332 /nfs/dbraw/zinc/09/23/32/1036092332.db2.gz LMMSRZWBMCQXOQ-TZIWHRDSSA-N 1 0 367.493 2.796 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001232841226 1036098491 /nfs/dbraw/zinc/09/84/91/1036098491.db2.gz YUCIETSHMJBHFD-NRFANRHFSA-N 1 0 369.509 2.791 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC(F)(F)F)C2=O)C1 ZINC001277318882 1036238774 /nfs/dbraw/zinc/23/87/74/1036238774.db2.gz YKEHOIIILDXSKP-QGZVFWFLSA-N 1 0 370.371 2.604 20 10 FFCDRO Oc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(O)c1O ZINC001233014744 1036250238 /nfs/dbraw/zinc/25/02/38/1036250238.db2.gz ABTIRHAQGNPUEY-MSOLQXFVSA-N 1 0 354.450 2.757 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cccc(OC)n3)CC2)c(O)c1 ZINC001140855665 1036292922 /nfs/dbraw/zinc/29/29/22/1036292922.db2.gz HRMFSKVHKJLBED-UHFFFAOYSA-N 1 0 370.497 2.964 20 10 FFCDRO COc1cc(O)c(CN2CC([NH+]3CCCCC3)C2)cc1Br ZINC001233140315 1036388221 /nfs/dbraw/zinc/38/82/21/1036388221.db2.gz DOWUFRIUFCKFIM-UHFFFAOYSA-N 1 0 355.276 2.833 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233143146 1036396727 /nfs/dbraw/zinc/39/67/27/1036396727.db2.gz YNSULMNREHLTML-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO COC[C@@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140949425 1036544215 /nfs/dbraw/zinc/54/42/15/1036544215.db2.gz AYXWCHNZDZMXOY-LJQANCHMSA-N 1 0 372.509 2.798 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c(O)c1 ZINC001140949670 1036545497 /nfs/dbraw/zinc/54/54/97/1036545497.db2.gz HUDJXHDNFNTAKC-YQVWRLOYSA-N 1 0 355.438 2.549 20 10 FFCDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233417198 1036611244 /nfs/dbraw/zinc/61/12/44/1036611244.db2.gz MCGPTQSDQLTCDV-CYBMUJFWSA-N 1 0 368.403 2.801 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001233453020 1036633495 /nfs/dbraw/zinc/63/34/95/1036633495.db2.gz RLKIQBFOYATSQM-ZIAGYGMSSA-N 1 0 364.371 2.769 20 10 FFCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483310 1036650813 /nfs/dbraw/zinc/65/08/13/1036650813.db2.gz VEVHIDDYSNCNGX-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3O)CC[C@H]21 ZINC001233776233 1036757758 /nfs/dbraw/zinc/75/77/58/1036757758.db2.gz NIGIKZCBMJWSJI-WCQYABFASA-N 1 0 358.360 2.734 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)c(OC)c1 ZINC001141027310 1036761275 /nfs/dbraw/zinc/76/12/75/1036761275.db2.gz UZBVTTJSRORSSW-FQEVSTJZSA-N 1 0 362.470 2.776 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141028567 1036768412 /nfs/dbraw/zinc/76/84/12/1036768412.db2.gz UXQDFUJYCQRJTA-ZDUSSCGKSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c(OC)c1 ZINC001141034814 1036795090 /nfs/dbraw/zinc/79/50/90/1036795090.db2.gz RHNYRKHXFVBDRL-UHFFFAOYSA-N 1 0 374.481 2.776 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CCN([C@H](C)C(C)=O)C3=O)CC2)c(O)c1 ZINC001277825875 1036875552 /nfs/dbraw/zinc/87/55/52/1036875552.db2.gz FSUJKSSVXYSTRG-OAHLLOKOSA-N 1 0 358.482 2.747 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001277827179 1036889788 /nfs/dbraw/zinc/88/97/88/1036889788.db2.gz UVMXSTNNKJJDIB-QGZVFWFLSA-N 1 0 356.388 2.941 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c(O)c(OC)c1 ZINC001277423280 1036921025 /nfs/dbraw/zinc/92/10/25/1036921025.db2.gz ZTSKXFPGTJJUBI-FQEVSTJZSA-N 1 0 362.470 2.632 20 10 FFCDRO COC[C@@H]1Cn2ccnc2CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141075245 1036923303 /nfs/dbraw/zinc/92/33/03/1036923303.db2.gz JZXDJQDRAUIYSF-SFHVURJKSA-N 1 0 366.509 2.860 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4CN(CC5CC5)C(=O)[C@H]4C3)c2c1 ZINC001234535981 1037077864 /nfs/dbraw/zinc/07/78/64/1037077864.db2.gz JQDZKAROACXSAG-LPHOPBHVSA-N 1 0 366.461 2.854 20 10 FFCDRO C[N@@H+]1CC[C@H](Oc2c(O)c(=O)cc3[nH]c(-c4ccccc4)cc(O)c2-3)C1 ZINC001234678471 1037138006 /nfs/dbraw/zinc/13/80/06/1037138006.db2.gz APHSXVSKLIJYAT-ZDUSSCGKSA-N 1 0 352.390 2.689 20 10 FFCDRO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234990384 1037285266 /nfs/dbraw/zinc/28/52/66/1037285266.db2.gz GRTKGDIBUJKLCB-HXUWFJFHSA-N 1 0 366.461 2.882 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235120486 1037369806 /nfs/dbraw/zinc/36/98/06/1037369806.db2.gz SINQTCIWIHZGGB-JOCHJYFZSA-N 1 0 368.477 2.926 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@@]3(CCCC(=O)N3)C2)cc1 ZINC001235177216 1037396804 /nfs/dbraw/zinc/39/68/04/1037396804.db2.gz OTJXOCJPIHLPEQ-QFIPXVFZSA-N 1 0 366.509 2.538 20 10 FFCDRO C[C@@H]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)O1 ZINC001231166182 1037489427 /nfs/dbraw/zinc/48/94/27/1037489427.db2.gz KWBDFRUTWNOYAR-LZQZEXGQSA-N 1 0 362.518 2.612 20 10 FFCDRO C[N@@H+]1CCC[C@@H](Oc2cc(O)ccc2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001231340109 1037538205 /nfs/dbraw/zinc/53/82/05/1037538205.db2.gz IBSVDOGOFGMWAZ-OAHLLOKOSA-N 1 0 357.406 2.898 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C(=O)[O-])cc4O)C[C@@H]3C2)cc1 ZINC001231449056 1037587597 /nfs/dbraw/zinc/58/75/97/1037587597.db2.gz DQFBZVBXQPGOOU-PMACEKPBSA-N 1 0 366.461 2.963 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(C(C)(C)C)cc2O)cn1 ZINC001235677644 1037676821 /nfs/dbraw/zinc/67/68/21/1037676821.db2.gz CWNKVIUTXGXKMP-QZTJIDSGSA-N 1 0 368.481 2.803 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231557648 1037682266 /nfs/dbraw/zinc/68/22/66/1037682266.db2.gz VPCKMHMVZUUKJY-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1O ZINC001231591453 1037707252 /nfs/dbraw/zinc/70/72/52/1037707252.db2.gz CWKXGUWLZXLAGB-QKNQBKEWSA-N 1 0 361.482 2.876 20 10 FFCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)c1O ZINC001231591673 1037708185 /nfs/dbraw/zinc/70/81/85/1037708185.db2.gz HGFSMIASHGAXFJ-WOJBJXKFSA-N 1 0 366.461 2.674 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c(O)ccc3ccccc32)cn1 ZINC001231588672 1037709178 /nfs/dbraw/zinc/70/91/78/1037709178.db2.gz ZOYOFNHASPHEDC-RBUKOAKNSA-N 1 0 362.433 2.659 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@H+](Cc4cccc(C)c4O)CCN3C2)n1 ZINC001231592846 1037710487 /nfs/dbraw/zinc/71/04/87/1037710487.db2.gz VGYBTRCPBVYOSU-NHCUHLMSSA-N 1 0 367.493 2.879 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc(C)c3O)CC2)C1 ZINC001231592833 1037711215 /nfs/dbraw/zinc/71/12/15/1037711215.db2.gz VFDNQLPQSOXMTR-SFHVURJKSA-N 1 0 360.498 2.940 20 10 FFCDRO COC[C@@H]1C(=O)N(CC2CC2)CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231594111 1037713468 /nfs/dbraw/zinc/71/34/68/1037713468.db2.gz ZEXOQYJGTSQIGO-LJQANCHMSA-N 1 0 372.509 2.798 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1O ZINC001231594153 1037713860 /nfs/dbraw/zinc/71/38/60/1037713860.db2.gz ZTWCRIHEGCUNSH-NRFANRHFSA-N 1 0 370.449 2.801 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001231593501 1037715436 /nfs/dbraw/zinc/71/54/36/1037715436.db2.gz QUAIJAOSPKXLCI-RXVVDRJESA-N 1 0 351.450 2.624 20 10 FFCDRO CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235767953 1037730418 /nfs/dbraw/zinc/73/04/18/1037730418.db2.gz BRMNIZDPOSFXHT-INIZCTEOSA-N 1 0 362.470 2.570 20 10 FFCDRO COc1cc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(O)cc1O ZINC001231634355 1037753855 /nfs/dbraw/zinc/75/38/55/1037753855.db2.gz HKOWMBFNWPPLCH-AWEZNQCLSA-N 1 0 374.485 2.720 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(O)cc1O ZINC001231637019 1037757405 /nfs/dbraw/zinc/75/74/05/1037757405.db2.gz YBFXNVMEBLIDOW-LJQANCHMSA-N 1 0 368.433 2.560 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)c(O)cc1O ZINC001231639695 1037761990 /nfs/dbraw/zinc/76/19/90/1037761990.db2.gz ZOSQNKYPGKFZFN-NRFANRHFSA-N 1 0 369.417 2.948 20 10 FFCDRO COc1cc(C[N@H+](C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231638993 1037762250 /nfs/dbraw/zinc/76/22/50/1037762250.db2.gz JQCCNFRDUYNBFD-UHFFFAOYSA-N 1 0 364.442 2.690 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c(O)cc1O ZINC001231639716 1037763259 /nfs/dbraw/zinc/76/32/59/1037763259.db2.gz IDEGTIQMSUXSTN-UHFFFAOYSA-N 1 0 371.437 2.893 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(O)cc1O ZINC001231640160 1037766280 /nfs/dbraw/zinc/76/62/80/1037766280.db2.gz PLRFWEUBXWEIKR-CQSZACIVSA-N 1 0 366.458 2.938 20 10 FFCDRO CCC(=O)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001536924583 1070086713 /nfs/dbraw/zinc/08/67/13/1070086713.db2.gz IJCSOOJYWNWTFP-UHFFFAOYSA-N 1 0 365.477 2.961 20 10 FFCDRO CN(C)c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001536925516 1070087117 /nfs/dbraw/zinc/08/71/17/1070087117.db2.gz XIUZHGOKDQTAOW-UHFFFAOYSA-N 1 0 370.472 2.574 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@H]([NH3+])C(F)(F)C2)c2ccccc2n1C ZINC001235915804 1037829229 /nfs/dbraw/zinc/82/92/29/1037829229.db2.gz UOHWMRRMYRGJIU-HNNXBMFYSA-N 1 0 351.397 2.523 20 10 FFCDRO Cc1cc(C)c(C[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001231845446 1037943112 /nfs/dbraw/zinc/94/31/12/1037943112.db2.gz LAUKQHLWRVGIEI-ROUUACIJSA-N 1 0 351.450 2.608 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001231847622 1037945726 /nfs/dbraw/zinc/94/57/26/1037945726.db2.gz AOYPVUXKUORUHQ-HZPDHXFCSA-N 1 0 364.383 2.989 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CCC(n3nnc4ccccc4c3=O)CC2)c(O)c1 ZINC001231849564 1037946481 /nfs/dbraw/zinc/94/64/81/1037946481.db2.gz RLBDBNJQECQABP-UHFFFAOYSA-N 1 0 364.449 2.951 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001231852486 1037949309 /nfs/dbraw/zinc/94/93/09/1037949309.db2.gz LMANBLZUGDUOMM-JOCHJYFZSA-N 1 0 371.525 2.986 20 10 FFCDRO CC[NH+](CC)CCCN1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231853925 1037951640 /nfs/dbraw/zinc/95/16/40/1037951640.db2.gz USUGJUUHVFTNQO-UHFFFAOYSA-N 1 0 362.562 2.611 20 10 FFCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001231911479 1038006187 /nfs/dbraw/zinc/00/61/87/1038006187.db2.gz MGJQUGPXOVUSCI-RHSMWYFYSA-N 1 0 374.872 2.563 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911486 1038008709 /nfs/dbraw/zinc/00/87/09/1038008709.db2.gz MGPUNEWOCMACKJ-UZLBHIALSA-N 1 0 371.868 2.969 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(C[NH+](Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231912379 1038009256 /nfs/dbraw/zinc/00/92/56/1038009256.db2.gz ZTILMYLHZPCMEZ-UHFFFAOYSA-N 1 0 357.841 2.789 20 10 FFCDRO CO[C@@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(F)(F)F ZINC001255582423 1038030066 /nfs/dbraw/zinc/03/00/66/1038030066.db2.gz XLEKNKCIVRCGPP-INIZCTEOSA-N 1 0 363.399 2.635 20 10 FFCDRO CCOC(=O)CN(CCC[NH3+])Cc1cc(OCc2ccccc2)ccc1O ZINC001236303667 1038032699 /nfs/dbraw/zinc/03/26/99/1038032699.db2.gz OHCAMCIEZWZNGV-UHFFFAOYSA-N 1 0 372.465 2.685 20 10 FFCDRO COc1cc(O)c(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001236751811 1038237052 /nfs/dbraw/zinc/23/70/52/1038237052.db2.gz JQZVGJQNTUTPHW-RTBURBONSA-N 1 0 368.477 2.973 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236753200 1038240081 /nfs/dbraw/zinc/24/00/81/1038240081.db2.gz KJYNPOFGCWAGDR-ZYHUDNBSSA-N 1 0 372.259 2.794 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(O)c(Br)cc3O)C2)o1 ZINC001236761190 1038247195 /nfs/dbraw/zinc/24/71/95/1038247195.db2.gz CAVLQELCCHKDGH-JTQLQIEISA-N 1 0 368.231 2.931 20 10 FFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236770539 1038254904 /nfs/dbraw/zinc/25/49/04/1038254904.db2.gz INIXDFPYHUYTBX-OAHLLOKOSA-N 1 0 358.232 2.635 20 10 FFCDRO OCC[N@H+](Cc1cccs1)Cc1cc(O)c(Br)cc1O ZINC001236775811 1038258829 /nfs/dbraw/zinc/25/88/29/1038258829.db2.gz QJLKBLUNTMJDPF-UHFFFAOYSA-N 1 0 358.257 2.916 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)c([O-])c1Cl ZINC001236805379 1038279948 /nfs/dbraw/zinc/27/99/48/1038279948.db2.gz ZTHNUPQZCLJWDL-ZDUSSCGKSA-N 1 0 352.862 2.745 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCN(CCOc3ccccc3)CC2)c(O)c1 ZINC001236812350 1038284829 /nfs/dbraw/zinc/28/48/29/1038284829.db2.gz CWBQWTOQMCSHCX-UHFFFAOYSA-N 1 0 356.466 2.906 20 10 FFCDRO OCCOCc1ncn2c1C[N@H+](Cc1cc3ccccc3cc1O)CCC2 ZINC001236829732 1038294322 /nfs/dbraw/zinc/29/43/22/1038294322.db2.gz JTVWIXXQOAJSDQ-UHFFFAOYSA-N 1 0 367.449 2.657 20 10 FFCDRO CCOC(=O)CCC(CCC(=O)OCC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001255993420 1038297430 /nfs/dbraw/zinc/29/74/30/1038297430.db2.gz WGXSSPUTSKQPMX-UHFFFAOYSA-N 1 0 363.454 2.766 20 10 FFCDRO O[C@@]1(CF)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236918145 1038353849 /nfs/dbraw/zinc/35/38/49/1038353849.db2.gz AGXUSURUDRTDHY-GOSISDBHSA-N 1 0 356.869 2.863 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236926466 1038358963 /nfs/dbraw/zinc/35/89/63/1038358963.db2.gz HPSQMLNRWZYQJG-UHFFFAOYSA-N 1 0 366.889 2.952 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c(O)c1 ZINC001237040080 1038416814 /nfs/dbraw/zinc/41/68/14/1038416814.db2.gz CZBAIKNBILCCEY-REPLKXPHSA-N 1 0 370.449 2.768 20 10 FFCDRO CC(C)c1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C2)c(O)c1 ZINC001237045322 1038421102 /nfs/dbraw/zinc/42/11/02/1038421102.db2.gz IVBHUHMVGAVHKM-SJORKVTESA-N 1 0 364.486 2.976 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(Br)c1 ZINC001237067434 1038433478 /nfs/dbraw/zinc/43/34/78/1038433478.db2.gz IVACUNMGECXPLW-CMPLNLGQSA-N 1 0 354.244 2.964 20 10 FFCDRO COc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC001237071166 1038435622 /nfs/dbraw/zinc/43/56/22/1038435622.db2.gz RVCWHYYMGPRAKV-LBPRGKRZSA-N 1 0 355.276 2.833 20 10 FFCDRO C[C@H]1C[C@@H](NCC(=O)c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529601 1038546126 /nfs/dbraw/zinc/54/61/26/1038546126.db2.gz CTRUJNYGMDTRBI-YJBOKZPZSA-N 1 0 354.450 2.923 20 10 FFCDRO Oc1cc2c(cc1O)C[N@@H+](C1CCN(Cc3ccncc3)CC1)CCC2 ZINC001256593820 1038574071 /nfs/dbraw/zinc/57/40/71/1038574071.db2.gz DCRYVZBGLBUNID-UHFFFAOYSA-N 1 0 353.466 2.906 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc3c(c2)NCCO3)n1C ZINC001245547560 1039045715 /nfs/dbraw/zinc/04/57/15/1039045715.db2.gz SWJZYOAPFMRXFU-UHFFFAOYSA-N 1 0 352.394 2.925 20 10 FFCDRO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001251742475 1039283067 /nfs/dbraw/zinc/28/30/67/1039283067.db2.gz FYMXWSFBCRIWDN-OAHLLOKOSA-N 1 0 366.255 2.993 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)COCc1ccccc1 ZINC001252306810 1039490816 /nfs/dbraw/zinc/49/08/16/1039490816.db2.gz OTCWYVMMXPLQAA-INIZCTEOSA-N 1 0 366.255 2.822 20 10 FFCDRO C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001278491481 1039883918 /nfs/dbraw/zinc/88/39/18/1039883918.db2.gz VXHANPPMUJHJRW-IBGZPJMESA-N 1 0 351.922 2.895 20 10 FFCDRO C[NH+](C)CCCOc1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001248417127 1040264940 /nfs/dbraw/zinc/26/49/40/1040264940.db2.gz XPBOZWXSNBRWPD-UHFFFAOYSA-N 1 0 363.483 2.697 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001278746116 1040436961 /nfs/dbraw/zinc/43/69/61/1040436961.db2.gz OTYNRWMVBBLILY-QYZOEREBSA-N 1 0 354.450 2.795 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001254190213 1040607315 /nfs/dbraw/zinc/60/73/15/1040607315.db2.gz MUDIMGJJEGVRII-AWEZNQCLSA-N 1 0 364.442 2.660 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC001249172653 1040614655 /nfs/dbraw/zinc/61/46/55/1040614655.db2.gz OVRKYRPDBDSKGL-HXUWFJFHSA-N 1 0 368.477 2.814 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](Cc2cccnc2)C2CCOCC2)c(O)c1 ZINC001249201059 1040624679 /nfs/dbraw/zinc/62/46/79/1040624679.db2.gz CEWMPPCQGXQPDT-UHFFFAOYSA-N 1 0 370.449 2.684 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN([C@H](C)c3ccccc3)CC2)c(O)c1 ZINC001249208220 1040628204 /nfs/dbraw/zinc/62/82/04/1040628204.db2.gz QGPACOASBNWZEF-QGZVFWFLSA-N 1 0 368.477 2.987 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)c(O)c1 ZINC001249215003 1040630310 /nfs/dbraw/zinc/63/03/10/1040630310.db2.gz UNFQMJDIMCPQGL-UHFFFAOYSA-N 1 0 353.418 2.869 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)c(O)c1 ZINC001249216542 1040631438 /nfs/dbraw/zinc/63/14/38/1040631438.db2.gz CWXIBLFGXBWXRH-UHFFFAOYSA-N 1 0 353.422 2.696 20 10 FFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001276704295 1040799155 /nfs/dbraw/zinc/79/91/55/1040799155.db2.gz CTPATDYBCMJSQC-ZFWWWQNUSA-N 1 0 362.470 2.623 20 10 FFCDRO Cc1cccc(S(=O)(=O)Nc2cccc(N3CC[NH+](C)CC3)c2)c1C ZINC001260999410 1040922331 /nfs/dbraw/zinc/92/23/31/1040922331.db2.gz YUPZRSJSKHVHFB-UHFFFAOYSA-N 1 0 359.495 2.856 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001249726782 1040962996 /nfs/dbraw/zinc/96/29/96/1040962996.db2.gz UYBPBMQWLUJNCU-GJZGRUSLSA-N 1 0 351.443 2.724 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC3(C2)CCCOC3)c(O)c1 ZINC001249725900 1040965390 /nfs/dbraw/zinc/96/53/90/1040965390.db2.gz SZUFYORBDJWCOZ-UHFFFAOYSA-N 1 0 363.454 2.727 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1 ZINC001249735799 1040967087 /nfs/dbraw/zinc/96/70/87/1040967087.db2.gz WHSSLUREQAZMJN-GOSISDBHSA-N 1 0 365.470 2.850 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c(O)c1 ZINC001249730506 1040970517 /nfs/dbraw/zinc/97/05/17/1040970517.db2.gz KTWUZNRUMNHHSI-JKSUJKDBSA-N 1 0 364.486 2.639 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC001249744189 1040973613 /nfs/dbraw/zinc/97/36/13/1040973613.db2.gz VVHUXRWMCUIDDL-SFHVURJKSA-N 1 0 363.454 2.725 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2F)CC1 ZINC001261206335 1041067206 /nfs/dbraw/zinc/06/72/06/1041067206.db2.gz KSEKNNBAPIYZQF-PMACEKPBSA-N 1 0 361.505 2.967 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(O)cc1Br ZINC001250120262 1041120879 /nfs/dbraw/zinc/12/08/79/1041120879.db2.gz ADCQIBCFSXBYDT-CYBMUJFWSA-N 1 0 356.260 2.579 20 10 FFCDRO CC[N@H+](CCN1CCOCC1)Cc1cc(C)c(Br)cc1O ZINC001250134014 1041125900 /nfs/dbraw/zinc/12/59/00/1041125900.db2.gz VMSVIKAFHDTINE-UHFFFAOYSA-N 1 0 357.292 2.617 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c(O)cc1Br ZINC001250135599 1041125948 /nfs/dbraw/zinc/12/59/48/1041125948.db2.gz GCWTYWWGJZWGMG-ZDUSSCGKSA-N 1 0 353.260 2.660 20 10 FFCDRO CCn1ccnc1CN1CCC2(C[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001278568580 1041203868 /nfs/dbraw/zinc/20/38/68/1041203868.db2.gz BANHDXPAAKFFEW-UHFFFAOYSA-N 1 0 360.889 2.970 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(CN(C(=O)[C@@H]4C=CCC=C4C)C3)C2)c1 ZINC001278569243 1041210027 /nfs/dbraw/zinc/21/00/27/1041210027.db2.gz SCEDVCSROMMNAG-GOSISDBHSA-N 1 0 354.450 2.567 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)Cc4ccsc4)C[C@H]32)c(O)c1 ZINC001278576124 1041236868 /nfs/dbraw/zinc/23/68/68/1041236868.db2.gz HJCKKPIMOJCJSK-MAUKXSAKSA-N 1 0 372.490 2.738 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](n2cncn2)C1 ZINC001261605157 1041333660 /nfs/dbraw/zinc/33/36/60/1041333660.db2.gz ZRMYFMJESYOPAF-TYCQWZJGSA-N 1 0 369.513 2.759 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](n2cncn2)C1 ZINC001261605154 1041333867 /nfs/dbraw/zinc/33/38/67/1041333867.db2.gz ZRMYFMJESYOPAF-CZAAIQMYSA-N 1 0 369.513 2.759 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccccc2Cl)c(O)c1OC ZINC001262360997 1041657275 /nfs/dbraw/zinc/65/72/75/1041657275.db2.gz XFSILDGIZOWZIG-UHFFFAOYSA-N 1 0 364.829 2.582 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)c1O ZINC001279235828 1042959431 /nfs/dbraw/zinc/95/94/31/1042959431.db2.gz VTMYOSAGQKMIKU-HDICACEKSA-N 1 0 353.466 2.958 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)Nc2cccnc2)c1O ZINC001279290375 1042985712 /nfs/dbraw/zinc/98/57/12/1042985712.db2.gz MAYVCDCVULKCDE-ROUUACIJSA-N 1 0 352.438 2.976 20 10 FFCDRO COc1cc(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c(O)cc1O ZINC001279299268 1042989604 /nfs/dbraw/zinc/98/96/04/1042989604.db2.gz JLUDJXSEOMHLPQ-UHFFFAOYSA-N 1 0 374.403 2.957 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)NCC(F)(F)F)C[C@H]32)c(O)c1 ZINC001279433539 1043108616 /nfs/dbraw/zinc/10/86/16/1043108616.db2.gz YQJCBZMKJHOERS-DZGCQCFKSA-N 1 0 371.403 2.787 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2cc(F)cc(C)c2O)c1 ZINC001237453546 1043175426 /nfs/dbraw/zinc/17/54/26/1043175426.db2.gz GIVSUYLJUKNDCU-GOSISDBHSA-N 1 0 358.413 2.773 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(OC)c1 ZINC001279558800 1043254617 /nfs/dbraw/zinc/25/46/17/1043254617.db2.gz UXWAGJAXEXLQPZ-OAQYLSRUSA-N 1 0 361.530 2.838 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676939 1043305599 /nfs/dbraw/zinc/30/55/99/1043305599.db2.gz UJGACCKYBFARBM-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001279596766 1043315081 /nfs/dbraw/zinc/31/50/81/1043315081.db2.gz YNBZXNBPPLWCDE-NRFANRHFSA-N 1 0 355.482 2.883 20 10 FFCDRO Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)c(C)c1 ZINC001237746513 1043338541 /nfs/dbraw/zinc/33/85/41/1043338541.db2.gz RJJWFNKSUFETGU-UHFFFAOYSA-N 1 0 359.495 2.822 20 10 FFCDRO CC[N@@H+]1CCN(Cc2cccc(I)c2O)C(C)(C)C1 ZINC001237784929 1043356841 /nfs/dbraw/zinc/35/68/41/1043356841.db2.gz BADGJTAJZVJLLJ-UHFFFAOYSA-N 1 0 374.266 2.913 20 10 FFCDRO COc1cc(O)c(CN2CCCC3(C[NH+](C)C3)C2)cc1Br ZINC001279706221 1043500142 /nfs/dbraw/zinc/50/01/42/1043500142.db2.gz MBXBZMWFBPXGQF-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001238060064 1043505779 /nfs/dbraw/zinc/50/57/79/1043505779.db2.gz GTDHZJPTDMVVGE-GHTZIAJQSA-N 1 0 369.440 2.763 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)c1O ZINC001238062173 1043509210 /nfs/dbraw/zinc/50/92/10/1043509210.db2.gz VEHPPVVMGZRVLF-HXUWFJFHSA-N 1 0 355.413 2.864 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCN(c3ccnc(N4CCCC4)n3)CC2)c1O ZINC001238071441 1043514191 /nfs/dbraw/zinc/51/41/91/1043514191.db2.gz XJOAXWCRNTUIQN-UHFFFAOYSA-N 1 0 371.460 2.552 20 10 FFCDRO O=C(C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2O1)N1CCCC12CC2 ZINC001279971058 1044008518 /nfs/dbraw/zinc/00/85/18/1044008518.db2.gz NSBVEODRHADDDW-LMMKCTJWSA-N 1 0 356.466 2.527 20 10 FFCDRO O=C([C@@H]1CCSC12C[NH+](Cc1cc(Cl)ccc1O)C2)N1CC=CC1 ZINC001279983745 1044036117 /nfs/dbraw/zinc/03/61/17/1044036117.db2.gz PWRWYMBHBRKYLS-HNNXBMFYSA-N 1 0 364.898 2.752 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccc(=O)[nH]2)c1O ZINC001280033615 1044110129 /nfs/dbraw/zinc/11/01/29/1044110129.db2.gz ORLJDVRDWUHERD-ROUUACIJSA-N 1 0 357.429 2.789 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@H](CC(=O)NC(C)(C)C)O[C@H]3C2)c1O ZINC001280347058 1044635355 /nfs/dbraw/zinc/63/53/55/1044635355.db2.gz YVTBOESIMFWJTN-RYRKJORJSA-N 1 0 360.498 2.903 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(N3CCC3)nc2)n1C ZINC001242701029 1044777043 /nfs/dbraw/zinc/77/70/43/1044777043.db2.gz MWRCAIAHTYSVAZ-UHFFFAOYSA-N 1 0 351.410 2.726 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001319830113 1045281650 /nfs/dbraw/zinc/28/16/50/1045281650.db2.gz WQOZEYOUVLQBOA-UHFFFAOYSA-N 1 0 368.355 2.939 20 10 FFCDRO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320497637 1045418969 /nfs/dbraw/zinc/41/89/69/1045418969.db2.gz KHPHQNKCZVZAMY-FQEVSTJZSA-N 1 0 354.498 2.966 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](CCO)CCc3ccccc3)cc2F)CC1 ZINC001320498254 1045419405 /nfs/dbraw/zinc/41/94/05/1045419405.db2.gz YLLBNSCZXZSGDK-UHFFFAOYSA-N 1 0 371.500 2.615 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001320953908 1045501162 /nfs/dbraw/zinc/50/11/62/1045501162.db2.gz ZCPPZFOIDNEUBQ-UHFFFAOYSA-N 1 0 357.498 2.608 20 10 FFCDRO O=C(c1cccs1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC001324717278 1046183070 /nfs/dbraw/zinc/18/30/70/1046183070.db2.gz ZAJKYHNZMJIUKC-MRXNPFEDSA-N 1 0 359.447 2.974 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001325372235 1046488135 /nfs/dbraw/zinc/48/81/35/1046488135.db2.gz PLAJUOBJGWIQIX-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO Cc1ccc2c(c1)S[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC001326038983 1046737996 /nfs/dbraw/zinc/73/79/96/1046737996.db2.gz UUPGCZGLODBJOF-PKOBYXMFSA-N 1 0 355.507 2.894 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2F)CC1 ZINC001327121414 1047196278 /nfs/dbraw/zinc/19/62/78/1047196278.db2.gz QMFHTJYYUTVJET-QUCCMNQESA-N 1 0 361.505 2.969 20 10 FFCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(Cl)n1 ZINC001288334279 1047449621 /nfs/dbraw/zinc/44/96/21/1047449621.db2.gz FKOGURBTPYZYGN-UHFFFAOYSA-N 1 0 358.873 2.725 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nccc3cccnc32)[NH+](C)C)cc1 ZINC001289602495 1047708128 /nfs/dbraw/zinc/70/81/28/1047708128.db2.gz SBPDKMBEZZYLQS-GOSISDBHSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCc3ccccc3O2)[NH+](C)C)cc1 ZINC001289602481 1047708271 /nfs/dbraw/zinc/70/82/71/1047708271.db2.gz RZMLZPZBKDVBDG-PZJWPPBQSA-N 1 0 367.493 2.865 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(Cl)c1 ZINC001327375900 1047869909 /nfs/dbraw/zinc/86/99/09/1047869909.db2.gz OXMINHCZIWFZRF-LJQANCHMSA-N 1 0 373.840 2.698 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H](CO)C3CCCCC3)cc2F)CC1 ZINC001327815769 1048053430 /nfs/dbraw/zinc/05/34/30/1048053430.db2.gz BSGGQWCNRNPWFJ-LJQANCHMSA-N 1 0 363.521 2.856 20 10 FFCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001331682710 1048058940 /nfs/dbraw/zinc/05/89/40/1048058940.db2.gz ZKMTWIZCQXMCCK-SFHVURJKSA-N 1 0 363.477 2.747 20 10 FFCDRO CS(=O)(=O)C1CCC(C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001332796861 1048565719 /nfs/dbraw/zinc/56/57/19/1048565719.db2.gz KKUGCOALLBWUPD-UHFFFAOYSA-N 1 0 350.528 2.980 20 10 FFCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC001329155738 1048599223 /nfs/dbraw/zinc/59/92/23/1048599223.db2.gz DVEAGVQHFCFKMS-DYVFJYSZSA-N 1 0 366.255 2.729 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(N)ccc43)cc2F)CC1 ZINC001329353551 1048681194 /nfs/dbraw/zinc/68/11/94/1048681194.db2.gz GFMNWAMYTWKSLM-HXUWFJFHSA-N 1 0 354.473 2.937 20 10 FFCDRO COc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c(O)c1OC ZINC001333722315 1049081700 /nfs/dbraw/zinc/08/17/00/1049081700.db2.gz BQILNLVVVIVSHE-UHFFFAOYSA-N 1 0 362.470 2.680 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001296778788 1050093784 /nfs/dbraw/zinc/09/37/84/1050093784.db2.gz KOBKOFHGYDGFRW-GOSISDBHSA-N 1 0 354.450 2.667 20 10 FFCDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001341570948 1050197844 /nfs/dbraw/zinc/19/78/44/1050197844.db2.gz KLWYRQGROBSDNR-QFIPXVFZSA-N 1 0 365.477 2.712 20 10 FFCDRO O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cc2ccccc2O)CC1 ZINC001341945724 1050542198 /nfs/dbraw/zinc/54/21/98/1050542198.db2.gz OZSZBIOQEPCNDP-UHFFFAOYSA-N 1 0 350.418 2.900 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001542171451 1071182708 /nfs/dbraw/zinc/18/27/08/1071182708.db2.gz MZNUWEHZVZZUCP-FQEVSTJZSA-N 1 0 357.498 2.751 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@]34CC[NH2+]C4)ccc21 ZINC001342275998 1050867114 /nfs/dbraw/zinc/86/71/14/1050867114.db2.gz SPXVXURKNXKKPH-OAQYLSRUSA-N 1 0 355.482 2.873 20 10 FFCDRO Nc1ccc(CC(=O)N2CCC3(CC2)C[C@H]([NH3+])c2ccccc2O3)cc1 ZINC001341323853 1051680191 /nfs/dbraw/zinc/68/01/91/1051680191.db2.gz SLTPOBUDQBKELK-SFHVURJKSA-N 1 0 351.450 2.655 20 10 FFCDRO CN(C)C(=O)C[C@H]1CN(C(=O)C2=CCC[NH2+]CC2)c2ccc(Cl)cc21 ZINC001341470108 1051826052 /nfs/dbraw/zinc/82/60/52/1051826052.db2.gz OYBAZLNJOVZYHW-AWEZNQCLSA-N 1 0 361.873 2.558 20 10 FFCDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001308298973 1052443570 /nfs/dbraw/zinc/44/35/70/1052443570.db2.gz ZVCKFJXQIZKFJJ-MRXNPFEDSA-N 1 0 350.459 2.855 20 10 FFCDRO COc1nc(Cl)c(C[NH2+]Cc2cccc(Br)c2[O-])n1C ZINC001343923763 1052491577 /nfs/dbraw/zinc/49/15/77/1052491577.db2.gz SKBGUWWLLCPPOW-UHFFFAOYSA-N 1 0 360.639 2.840 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308954047 1052526079 /nfs/dbraw/zinc/52/60/79/1052526079.db2.gz GJKXTROUFRDZEH-KRWDZBQOSA-N 1 0 356.850 2.507 20 10 FFCDRO COC(=O)[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)CC1CCCC1 ZINC001308973529 1052530149 /nfs/dbraw/zinc/53/01/49/1052530149.db2.gz WVGHNWJMGUIBCF-OAHLLOKOSA-N 1 0 351.443 2.869 20 10 FFCDRO CC(C)CN1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CCN2C1=O ZINC001343990036 1052532115 /nfs/dbraw/zinc/53/21/15/1052532115.db2.gz LGBZMVSZPHXERH-HXUWFJFHSA-N 1 0 356.514 2.865 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001346140913 1052765635 /nfs/dbraw/zinc/76/56/35/1052765635.db2.gz IDKILQBMQCXYSP-MOPGFXCFSA-N 1 0 362.518 2.646 20 10 FFCDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001543051026 1071366310 /nfs/dbraw/zinc/36/63/10/1071366310.db2.gz LFVDSDVXDSOBRF-UHFFFAOYSA-N 1 0 366.483 2.743 20 10 FFCDRO Cn1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1C1CC1 ZINC001334936951 1053157314 /nfs/dbraw/zinc/15/73/14/1053157314.db2.gz SJVDUWOIPGJUEW-UHFFFAOYSA-N 1 0 358.461 2.688 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](O)COCc3ccccc3F)C2)cc1 ZINC001335411646 1053344961 /nfs/dbraw/zinc/34/49/61/1053344961.db2.gz ARFDQQXGZQLBTJ-HKUYNNGSSA-N 1 0 374.456 2.580 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001335450046 1053371523 /nfs/dbraw/zinc/37/15/23/1053371523.db2.gz XCYQHOZXYDIPQZ-IQGASKDCSA-N 1 0 366.509 2.919 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H](O)COCc3cccs3)C2)cc1 ZINC001335458879 1053377536 /nfs/dbraw/zinc/37/75/36/1053377536.db2.gz DFWULWQYFNNRDM-WBVHZDCISA-N 1 0 362.495 2.503 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001543233114 1071422479 /nfs/dbraw/zinc/42/24/79/1071422479.db2.gz DQVBQUMPAMLNPQ-ARFHVFGLSA-N 1 0 365.493 2.643 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)cc2F)CC1 ZINC001347474506 1054019600 /nfs/dbraw/zinc/01/96/00/1054019600.db2.gz VJWVVVCBTHBZAW-UHFFFAOYSA-N 1 0 373.516 2.969 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)C1 ZINC001352012689 1055119414 /nfs/dbraw/zinc/11/94/14/1055119414.db2.gz XILZWZHHMSVOHB-SFHVURJKSA-N 1 0 355.457 2.860 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)c1O ZINC000848889859 1055309432 /nfs/dbraw/zinc/30/94/32/1055309432.db2.gz MYVHERMUINMCEE-HNNXBMFYSA-N 1 0 374.485 2.753 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847303395 1055434025 /nfs/dbraw/zinc/43/40/25/1055434025.db2.gz AKRMFKLXTKPNIF-UHFFFAOYSA-N 1 0 369.513 2.707 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=[NH2+])Nc3cccc(C)c3)CC2)cc1 ZINC000849066930 1055620267 /nfs/dbraw/zinc/62/02/67/1055620267.db2.gz QTQRUGNLSQCIHH-UHFFFAOYSA-N 1 0 367.497 2.762 20 10 FFCDRO C[C@@H]1C[N@H+](CCCNCc2c(O)cccc2Br)CCCO1 ZINC001351331727 1056201828 /nfs/dbraw/zinc/20/18/28/1056201828.db2.gz ZKDMASYMUCTVEK-CYBMUJFWSA-N 1 0 357.292 2.745 20 10 FFCDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001353278603 1056255628 /nfs/dbraw/zinc/25/56/28/1056255628.db2.gz TUMUWEYTWMOUFL-YLJYHZDGSA-N 1 0 374.554 2.653 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](Cc3ccc(Cl)cc3)C(N)=O)C2)cc1 ZINC000849323477 1056828426 /nfs/dbraw/zinc/82/84/26/1056828426.db2.gz YJMMAXGSGCDVMA-VQIMIIECSA-N 1 0 373.884 2.614 20 10 FFCDRO CC(C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)COC1 ZINC001445887794 1058452641 /nfs/dbraw/zinc/45/26/41/1058452641.db2.gz VMLXNXIZQKBEBX-INIZCTEOSA-N 1 0 366.889 2.799 20 10 FFCDRO C[C@@H]1CO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001545632433 1071823311 /nfs/dbraw/zinc/82/33/11/1071823311.db2.gz LTOFCXSICBMPIY-YLQAJVPDSA-N 1 0 352.862 2.551 20 10 FFCDRO CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001521496891 1060620459 /nfs/dbraw/zinc/62/04/59/1060620459.db2.gz YLRGCWFTXHUPMD-KRWDZBQOSA-N 1 0 369.465 2.967 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1 ZINC001459794819 1060821060 /nfs/dbraw/zinc/82/10/60/1060821060.db2.gz DFFZMQCPMJMDAS-SFTDATJTSA-N 1 0 360.498 2.936 20 10 FFCDRO CC(C)c1ccc(O)c(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC001462258146 1061557052 /nfs/dbraw/zinc/55/70/52/1061557052.db2.gz XHBRNDYEFOSAHN-MRXNPFEDSA-N 1 0 352.475 2.833 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001478174867 1061929270 /nfs/dbraw/zinc/92/92/70/1061929270.db2.gz QGPRCLYMCUILNR-ZBFHGGJFSA-N 1 0 357.429 2.994 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H](F)C2)[NH+](C)C)cc1 ZINC001478877048 1062138779 /nfs/dbraw/zinc/13/87/79/1062138779.db2.gz SXBJBJQYEVYBRS-BQFCYCMXSA-N 1 0 350.482 2.935 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)cc2F)CC1 ZINC001530377109 1062555065 /nfs/dbraw/zinc/55/50/65/1062555065.db2.gz OCQQZLNODWDDLX-DZJNRPSUSA-N 1 0 359.489 2.876 20 10 FFCDRO CC(=O)c1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C ZINC001533682879 1063373783 /nfs/dbraw/zinc/37/37/83/1063373783.db2.gz FVYNRCMBPMWANU-UHFFFAOYSA-N 1 0 365.477 2.879 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C ZINC001497274189 1063687063 /nfs/dbraw/zinc/68/70/63/1063687063.db2.gz WGTKSYPYHUGSPC-AYOQOUSVSA-N 1 0 370.497 2.525 20 10 FFCDRO C[C@H](NC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC001468323323 1063966376 /nfs/dbraw/zinc/96/63/76/1063966376.db2.gz SMGNMOQHZIFQAV-KRWDZBQOSA-N 1 0 374.529 2.710 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)cc1 ZINC001470067320 1064253133 /nfs/dbraw/zinc/25/31/33/1064253133.db2.gz JTAKCTWHLIOEIP-APWZRJJASA-N 1 0 374.529 2.694 20 10 FFCDRO CCc1ccc2c(c1)CN(CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC001473905164 1065414331 /nfs/dbraw/zinc/41/43/31/1065414331.db2.gz PGCNYPSPKSWEQN-UHFFFAOYSA-N 1 0 351.494 2.990 20 10 FFCDRO COc1cc(C)c(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)c(O)c1 ZINC001474636540 1065568117 /nfs/dbraw/zinc/56/81/17/1065568117.db2.gz PBMASKWZRIBZJL-UHFFFAOYSA-N 1 0 373.453 2.760 20 10 FFCDRO O=S(=O)(C1CC[NH+](Cc2ccc(Cl)cc2O)CC1)N1CCCCC1 ZINC001474719456 1065590005 /nfs/dbraw/zinc/59/00/05/1065590005.db2.gz BFCBSHJFFDHMOU-UHFFFAOYSA-N 1 0 372.918 2.826 20 10 FFCDRO C[C@H]1CN(c2nnc(C3CC3)n2CCCSc2nccs2)C[C@@H]1[NH3+] ZINC001576828928 1078279194 /nfs/dbraw/zinc/27/91/94/1078279194.db2.gz NWECIPDJVQTQIV-AAEUAGOBSA-N 1 0 364.544 2.578 20 10 FFCDRO C[C@@H]1CN(c2nnc(C3CC3)n2CCCSc2nccs2)C[C@H]1[NH3+] ZINC001576828929 1078279218 /nfs/dbraw/zinc/27/92/18/1078279218.db2.gz NWECIPDJVQTQIV-DGCLKSJQSA-N 1 0 364.544 2.578 20 10 FFCDRO COC(=O)C[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC001578803751 1078529570 /nfs/dbraw/zinc/52/95/70/1078529570.db2.gz YQBZAIJRNGQFMD-HNNXBMFYSA-N 1 0 350.418 2.639 20 10 FFCDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001579011975 1078562520 /nfs/dbraw/zinc/56/25/20/1078562520.db2.gz FQYZVGXSUXORRY-GOSISDBHSA-N 1 0 355.482 2.853 20 10 FFCDRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC001580216468 1078766781 /nfs/dbraw/zinc/76/67/81/1078766781.db2.gz ZRDWGEWOVJOGSN-AEFFLSMTSA-N 1 0 354.450 2.910 20 10 FFCDRO CCc1nc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001583475683 1079220906 /nfs/dbraw/zinc/22/09/06/1079220906.db2.gz LKRIDOODCCZVQZ-UHFFFAOYSA-N 1 0 358.511 2.696 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4cccnc4c3)cc2)CC1 ZINC001583475471 1079220522 /nfs/dbraw/zinc/22/05/22/1079220522.db2.gz HZVKZTTWGOXOEA-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO CN(C)c1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001560317988 1076263189 /nfs/dbraw/zinc/26/31/89/1076263189.db2.gz RWGLJKJGVHPERI-UHFFFAOYSA-N 1 0 356.489 2.933 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1Cn1cccn1 ZINC001560485111 1076275499 /nfs/dbraw/zinc/27/54/99/1076275499.db2.gz JVARMMAOAMHAJP-IBGZPJMESA-N 1 0 364.449 2.646 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1OC ZINC001560957061 1076313637 /nfs/dbraw/zinc/31/36/37/1076313637.db2.gz SXNQKYJCSHKDBJ-OCCSQVGLSA-N 1 0 366.458 2.897 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(C)CCCS2)[NH+](C)C)cc1 ZINC001564338116 1076626181 /nfs/dbraw/zinc/62/61/81/1076626181.db2.gz QRXGNOLEKDGLOU-HKUYNNGSSA-N 1 0 364.559 2.940 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCCSC2)[NH+](C)C)cc1 ZINC001564855332 1076664842 /nfs/dbraw/zinc/66/48/42/1076664842.db2.gz MSGYSLKLPPIKTE-MAUKXSAKSA-N 1 0 364.559 2.798 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)C)cc1C ZINC001568462181 1077093822 /nfs/dbraw/zinc/09/38/22/1077093822.db2.gz GQXWNEAAPXPWNH-MLYOOKFZSA-N 1 0 360.498 2.802 20 10 FFCDRO Cc1cnc2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)ccn12 ZINC001586060999 1079538343 /nfs/dbraw/zinc/53/83/43/1079538343.db2.gz NCGUUYMHOQPLAP-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO Cc1cnc2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)ccn12 ZINC001586060998 1079538623 /nfs/dbraw/zinc/53/86/23/1079538623.db2.gz NCGUUYMHOQPLAP-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000373219581 512226259 /nfs/dbraw/zinc/22/62/59/512226259.db2.gz XTFKCBFESVAXOC-IUODEOHRSA-N 1 0 367.287 2.954 20 10 FFCDRO C[C@](O)(CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000371116897 512226510 /nfs/dbraw/zinc/22/65/10/512226510.db2.gz HJGPXRGUMKEGCW-APWZRJJASA-N 1 0 366.889 2.677 20 10 FFCDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000068411721 507219626 /nfs/dbraw/zinc/21/96/26/507219626.db2.gz RXEPYODNUZVUJP-UHFFFAOYSA-N 1 0 374.506 2.988 20 10 FFCDRO COc1ccc(N2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)cc1 ZINC000078775590 507905929 /nfs/dbraw/zinc/90/59/29/507905929.db2.gz SDECXYVAFCNGMG-UHFFFAOYSA-N 1 0 372.444 2.567 20 10 FFCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000073821985 507959743 /nfs/dbraw/zinc/95/97/43/507959743.db2.gz FDEAOXVPDHTEDZ-IBGZPJMESA-N 1 0 374.529 2.539 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110867490 508051858 /nfs/dbraw/zinc/05/18/58/508051858.db2.gz JKOBXKLNALGJKI-UHFFFAOYSA-N 1 0 374.554 2.865 20 10 FFCDRO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000111236054 508081114 /nfs/dbraw/zinc/08/11/14/508081114.db2.gz IDHDWZNFWROYCO-OAHLLOKOSA-N 1 0 372.465 2.888 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cccnc3)CC2)cc1 ZINC000092720768 508098376 /nfs/dbraw/zinc/09/83/76/508098376.db2.gz VGGWMUWSIOSRDW-SFHVURJKSA-N 1 0 354.498 2.953 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccncc3)cc2F)CC1 ZINC000106829831 508404835 /nfs/dbraw/zinc/40/48/35/508404835.db2.gz UJHKCAOJSNKQDT-UHFFFAOYSA-N 1 0 370.472 2.612 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000156641748 508455178 /nfs/dbraw/zinc/45/51/78/508455178.db2.gz VJHUURDLDIHIHE-QGZVFWFLSA-N 1 0 372.440 2.808 20 10 FFCDRO CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccccc1O ZINC000156807553 508480649 /nfs/dbraw/zinc/48/06/49/508480649.db2.gz CSAZEWCBOHEVGZ-AWEZNQCLSA-N 1 0 354.497 2.815 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000117948396 508625059 /nfs/dbraw/zinc/62/50/59/508625059.db2.gz FSNHNKJNHJBWHB-UHFFFAOYSA-N 1 0 374.506 2.785 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000371451523 512408998 /nfs/dbraw/zinc/40/89/98/512408998.db2.gz RYJMLOFQEKPBQU-DENIHFKCSA-N 1 0 370.493 2.738 20 10 FFCDRO CCc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)o1 ZINC000155377379 508988267 /nfs/dbraw/zinc/98/82/67/508988267.db2.gz IOXKSVMKGTYXHU-NTCAYCPXSA-N 1 0 366.508 2.766 20 10 FFCDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000161741877 509149498 /nfs/dbraw/zinc/14/94/98/509149498.db2.gz IKXDGTQHEVUXMD-HNNXBMFYSA-N 1 0 364.461 2.999 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2F)CC1 ZINC000121410822 509172612 /nfs/dbraw/zinc/17/26/12/509172612.db2.gz FPVLXWDQYKDHQY-AHRSYUTCSA-N 1 0 360.473 2.834 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000163233123 509352790 /nfs/dbraw/zinc/35/27/90/509352790.db2.gz INTGUJLSRKREER-YLJYHZDGSA-N 1 0 356.514 2.911 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189152292 509437628 /nfs/dbraw/zinc/43/76/28/509437628.db2.gz PVWZIKUPDDHRRW-FQEVSTJZSA-N 1 0 359.514 2.602 20 10 FFCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000183378697 509749741 /nfs/dbraw/zinc/74/97/41/509749741.db2.gz DHXGDZMYQYBORC-ZDUSSCGKSA-N 1 0 355.276 2.811 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(O)(c3c(F)cccc3F)CC1)OCO2 ZINC000190023497 509891895 /nfs/dbraw/zinc/89/18/95/509891895.db2.gz FTDRYCGWAMYNPM-UHFFFAOYSA-N 1 0 363.360 2.883 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2cc(F)ccc2O)N2CCOCC2)cc1 ZINC000180395425 509902536 /nfs/dbraw/zinc/90/25/36/509902536.db2.gz OWQQXKWGXAHEHQ-IBGZPJMESA-N 1 0 360.429 2.703 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1O ZINC000187050463 510027994 /nfs/dbraw/zinc/02/79/94/510027994.db2.gz KHSVGZWRKNEJJG-ZDUSSCGKSA-N 1 0 371.319 2.961 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1O ZINC000194441782 510366806 /nfs/dbraw/zinc/36/68/06/510366806.db2.gz ZCMAPWQMNOQRFL-QGZVFWFLSA-N 1 0 369.465 2.722 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)nn1 ZINC000184756341 510501034 /nfs/dbraw/zinc/50/10/34/510501034.db2.gz HHQDCJOZCVFCMI-UHFFFAOYSA-N 1 0 364.833 2.569 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185006813 510630454 /nfs/dbraw/zinc/63/04/54/510630454.db2.gz BOOSUPOKYWBMHZ-CYBMUJFWSA-N 1 0 353.894 2.687 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172581587 510803764 /nfs/dbraw/zinc/80/37/64/510803764.db2.gz XVNYYTWSCCQHSE-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO Cn1cc([C@@H]2CSCCN2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000191745711 510812381 /nfs/dbraw/zinc/81/23/81/510812381.db2.gz OWBMNANVGZXRGI-IBGZPJMESA-N 1 0 358.511 2.547 20 10 FFCDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1O ZINC000185349441 510818574 /nfs/dbraw/zinc/81/85/74/510818574.db2.gz XZMPUEBMLBNFAZ-VQIMIIECSA-N 1 0 354.450 2.513 20 10 FFCDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c(F)ccc(O)c1O ZINC000276535043 510940722 /nfs/dbraw/zinc/94/07/22/510940722.db2.gz FOJBHEMKZBTTFL-GFCCVEGCSA-N 1 0 364.442 2.940 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277322439 510960210 /nfs/dbraw/zinc/96/02/10/510960210.db2.gz DORBAJCQONBLSW-ZIAGYGMSSA-N 1 0 368.275 2.581 20 10 FFCDRO Cc1noc(C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccccc2)n1 ZINC000277772069 510972315 /nfs/dbraw/zinc/97/23/15/510972315.db2.gz YFPYIUSTSCGUJX-HNNXBMFYSA-N 1 0 353.378 2.886 20 10 FFCDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000278002712 510977487 /nfs/dbraw/zinc/97/74/87/510977487.db2.gz VJPJIPKCZYECDD-JSGCOSHPSA-N 1 0 364.442 2.856 20 10 FFCDRO COc1c(O)c(CNCc2csc([C@@H](C)OC)n2)ccc1[N+](=O)[O-] ZINC000278295099 510988346 /nfs/dbraw/zinc/98/83/46/510988346.db2.gz CACFDPXINCTUHK-SECBINFHSA-N 1 0 353.400 2.763 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC000294226963 510997055 /nfs/dbraw/zinc/99/70/55/510997055.db2.gz XKRGPLMDPGIUQO-ILXVDBEPSA-N 1 0 363.477 2.573 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC000294226944 510997550 /nfs/dbraw/zinc/99/75/50/510997550.db2.gz XKRGPLMDPGIUQO-AHEZYBDSSA-N 1 0 363.477 2.573 20 10 FFCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287401845 511047821 /nfs/dbraw/zinc/04/78/21/511047821.db2.gz KTDDEIDMAGSJFH-YLJYHZDGSA-N 1 0 354.498 2.831 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1O ZINC000288143450 511065942 /nfs/dbraw/zinc/06/59/42/511065942.db2.gz NJBHRPNWGJGOTB-KBXCAEBGSA-N 1 0 357.454 2.891 20 10 FFCDRO CCOc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000288427007 511075483 /nfs/dbraw/zinc/07/54/83/511075483.db2.gz KKKRWMFXRAVXGT-UHFFFAOYSA-N 1 0 354.248 2.930 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271105463 511085460 /nfs/dbraw/zinc/08/54/60/511085460.db2.gz RNCFNDHECQSMAO-ZDUSSCGKSA-N 1 0 352.431 2.508 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000271122380 511088362 /nfs/dbraw/zinc/08/83/62/511088362.db2.gz YOAMTOUTWPCCQF-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000289864998 511117927 /nfs/dbraw/zinc/11/79/27/511117927.db2.gz QRJQEEYYBVJWAL-NRFANRHFSA-N 1 0 357.450 2.722 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccn4ccnc4c3)CC2)cc1F ZINC000290703802 511148897 /nfs/dbraw/zinc/14/88/97/511148897.db2.gz NNIDBTOYIRIWRY-UHFFFAOYSA-N 1 0 369.400 2.836 20 10 FFCDRO O=C(CCc1ccncn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000365186914 511307049 /nfs/dbraw/zinc/30/70/49/511307049.db2.gz ZDDKJNALCHKZCF-KRWDZBQOSA-N 1 0 374.872 2.549 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1OC ZINC000271855980 511348586 /nfs/dbraw/zinc/34/85/86/511348586.db2.gz USGSZOYNQJICRU-CQSZACIVSA-N 1 0 353.484 2.944 20 10 FFCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1OC(F)(F)F ZINC000280337509 511426616 /nfs/dbraw/zinc/42/66/16/511426616.db2.gz RSLPZQXGIIIPFG-LBPRGKRZSA-N 1 0 371.311 2.843 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(Cn4cncn4)CC3)cc2)CC1 ZINC000295692965 511485941 /nfs/dbraw/zinc/48/59/41/511485941.db2.gz IKXGNRGFHOKTPF-UHFFFAOYSA-N 1 0 369.513 2.806 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1F ZINC000274086600 511715813 /nfs/dbraw/zinc/71/58/13/511715813.db2.gz OVDCRUSEXUMKMW-LJQANCHMSA-N 1 0 374.456 2.534 20 10 FFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000281217797 511763069 /nfs/dbraw/zinc/76/30/69/511763069.db2.gz TVNDHZDMXHYYFG-WBVHZDCISA-N 1 0 363.477 2.571 20 10 FFCDRO OCc1cn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)nn1 ZINC000293527760 511998687 /nfs/dbraw/zinc/99/86/87/511998687.db2.gz BOQIPOLBWDGSLM-FQEVSTJZSA-N 1 0 364.449 2.980 20 10 FFCDRO OCC1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOCC1 ZINC000375738943 512480492 /nfs/dbraw/zinc/48/04/92/512480492.db2.gz VGVBKJHDBJLJKA-UHFFFAOYSA-N 1 0 352.478 2.880 20 10 FFCDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C[C@@H](C)O2 ZINC000373979543 512604544 /nfs/dbraw/zinc/60/45/44/512604544.db2.gz XXXAYBUOQTUQDM-DBXWQHBBSA-N 1 0 360.498 2.682 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1O ZINC000368006573 512759767 /nfs/dbraw/zinc/75/97/67/512759767.db2.gz NJXXXPZYVXIYMX-MRXNPFEDSA-N 1 0 368.412 2.903 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c(O)c1 ZINC000368621818 513030978 /nfs/dbraw/zinc/03/09/78/513030978.db2.gz BDJWUNUGCIYINO-HNNXBMFYSA-N 1 0 359.470 2.996 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1csc(=O)[nH]1 ZINC000377066243 513106150 /nfs/dbraw/zinc/10/61/50/513106150.db2.gz HGYLJNNBMODOIE-GFCCVEGCSA-N 1 0 367.858 2.602 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1OC ZINC000368797780 513106761 /nfs/dbraw/zinc/10/67/61/513106761.db2.gz CORMHFRSWNHUIF-HXUWFJFHSA-N 1 0 354.406 2.505 20 10 FFCDRO CC[NH+](CC)CCOCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472163809 515153426 /nfs/dbraw/zinc/15/34/26/515153426.db2.gz QTMIQXFVTOUIFH-UHFFFAOYSA-N 1 0 360.502 2.644 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CC[C@@H](C)C3)ccc21 ZINC000525805961 517174147 /nfs/dbraw/zinc/17/41/47/517174147.db2.gz YHXATFDKXPFZFR-OAHLLOKOSA-N 1 0 357.498 2.976 20 10 FFCDRO CCOc1ccc(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c(O)c1 ZINC000527762869 517897900 /nfs/dbraw/zinc/89/79/00/517897900.db2.gz JKLJWRFXBMOKBY-UHFFFAOYSA-N 1 0 357.454 2.694 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC000565149195 518810979 /nfs/dbraw/zinc/81/09/79/518810979.db2.gz YVHUAUOYRLPANR-MSOLQXFVSA-N 1 0 355.482 2.871 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cnccn2)C1 ZINC000572040456 519412800 /nfs/dbraw/zinc/41/28/00/519412800.db2.gz UJGQEIPEDCKXPE-UHFFFAOYSA-N 1 0 363.465 2.861 20 10 FFCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC4(CCC4)c4c3cccc4F)c21 ZINC000592520740 520434725 /nfs/dbraw/zinc/43/47/25/520434725.db2.gz VIJDWTRHAHRINE-ZDUSSCGKSA-N 1 0 354.429 2.940 20 10 FFCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821110153 606904774 /nfs/dbraw/zinc/90/47/74/606904774.db2.gz XDULLJFELIZBPJ-SFHVURJKSA-N 1 0 353.426 2.518 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)cc1 ZINC000154145234 728797381 /nfs/dbraw/zinc/79/73/81/728797381.db2.gz CNTFRMZCYJBMJY-OALUTQOASA-N 1 0 366.527 2.609 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCSc1nccs1 ZINC000154674967 728809542 /nfs/dbraw/zinc/80/95/42/728809542.db2.gz GIRQECJXPWWFMC-KGLIPLIRSA-N 1 0 354.545 2.894 20 10 FFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)c1ccccc1O ZINC000156812252 728859741 /nfs/dbraw/zinc/85/97/41/728859741.db2.gz LFHRPTZHUXXSPB-AWEZNQCLSA-N 1 0 354.497 2.781 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160167216 728918507 /nfs/dbraw/zinc/91/85/07/728918507.db2.gz ACOKFDKKDFSSRD-UHFFFAOYSA-N 1 0 366.527 2.517 20 10 FFCDRO C[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCNC1=O ZINC000897868658 735287402 /nfs/dbraw/zinc/28/74/02/735287402.db2.gz KWRPDOOXAWXEIO-QGZVFWFLSA-N 1 0 366.303 2.808 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000898284208 735336311 /nfs/dbraw/zinc/33/63/11/735336311.db2.gz IHKFMVWZHXKQMW-ZDUSSCGKSA-N 1 0 364.467 2.647 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)cc1F ZINC000898286769 735336807 /nfs/dbraw/zinc/33/68/07/735336807.db2.gz LVBQFDHTRRFBSV-UHFFFAOYSA-N 1 0 365.474 2.577 20 10 FFCDRO CS[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899097784 735446908 /nfs/dbraw/zinc/44/69/08/735446908.db2.gz GRGUPPIXHBOMQG-SJORKVTESA-N 1 0 350.532 2.502 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCCSCC2)[NH+](C)C)cc1 ZINC000899103333 735447920 /nfs/dbraw/zinc/44/79/20/735447920.db2.gz ZFFKPAOSKPFVAG-KRWDZBQOSA-N 1 0 350.532 2.504 20 10 FFCDRO Cc1cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)cnc1F ZINC000899260885 735467398 /nfs/dbraw/zinc/46/73/98/735467398.db2.gz UFJFLYQKEXJISV-JYRVWZFOSA-N 1 0 351.472 2.825 20 10 FFCDRO CC[NH+](CC)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000075181674 728244680 /nfs/dbraw/zinc/24/46/80/728244680.db2.gz NGPMZVHFDALKSO-CQSZACIVSA-N 1 0 355.429 2.715 20 10 FFCDRO CC(C)(C)c1cc(C[NH2+]CCNS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000101595262 728486934 /nfs/dbraw/zinc/48/69/34/728486934.db2.gz DCEGPYSISBKRHG-UHFFFAOYSA-N 1 0 356.532 2.626 20 10 FFCDRO CC(=O)N1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000113359158 728554401 /nfs/dbraw/zinc/55/44/01/728554401.db2.gz HCKVGTLFODIFKI-SFHVURJKSA-N 1 0 365.905 2.611 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)CC(C)C ZINC000114585784 728561684 /nfs/dbraw/zinc/56/16/84/728561684.db2.gz MLUYZIVRXABYSK-MRXNPFEDSA-N 1 0 351.491 2.957 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C1([NH+](C)C)CCC1 ZINC000121005290 728618854 /nfs/dbraw/zinc/61/88/54/728618854.db2.gz RQKJJZXAQKQGRO-UHFFFAOYSA-N 1 0 355.276 2.988 20 10 FFCDRO C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]1 ZINC000121671337 728635188 /nfs/dbraw/zinc/63/51/88/728635188.db2.gz MBQOBQZYOKYXAG-SCLBCKFNSA-N 1 0 353.413 2.515 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000121886844 728641285 /nfs/dbraw/zinc/64/12/85/728641285.db2.gz FUKWWLCPQRPNGD-UHFFFAOYSA-N 1 0 351.878 2.528 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000177274473 729133057 /nfs/dbraw/zinc/13/30/57/729133057.db2.gz ICMBYBYJSKQFOY-AWEZNQCLSA-N 1 0 350.434 2.718 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000182335396 729275019 /nfs/dbraw/zinc/27/50/19/729275019.db2.gz FIJSLCXVONLNSF-JTQLQIEISA-N 1 0 350.444 2.665 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C3CCSCC3)CC2)cc1 ZINC000779017073 738429769 /nfs/dbraw/zinc/42/97/69/738429769.db2.gz HFUSMRLJWSGMQA-QGZVFWFLSA-N 1 0 363.571 2.939 20 10 FFCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CCSCC2)cc1 ZINC000237889273 729564619 /nfs/dbraw/zinc/56/46/19/729564619.db2.gz INYLADWWSZYMRP-AYHJJNSGSA-N 1 0 359.539 2.777 20 10 FFCDRO C[C@H](CCO)[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000779422096 738462977 /nfs/dbraw/zinc/46/29/77/738462977.db2.gz UNGREJQCJMJBNF-PBHICJAKSA-N 1 0 351.491 2.679 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000856595953 730346902 /nfs/dbraw/zinc/34/69/02/730346902.db2.gz NUUUHJMRZNYOAN-KRWDZBQOSA-N 1 0 351.834 2.561 20 10 FFCDRO COc1ccccc1[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000858104916 730416710 /nfs/dbraw/zinc/41/67/10/730416710.db2.gz CMKPNPAXJZVUKD-HNNXBMFYSA-N 1 0 352.228 2.987 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)[C@H]2C1 ZINC000858165452 730418443 /nfs/dbraw/zinc/41/84/43/730418443.db2.gz UGLHYDHAJGYMLW-YEWWUXTCSA-N 1 0 351.441 2.767 20 10 FFCDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2c(O)cccc2Br)CC1=O ZINC000858195418 730419397 /nfs/dbraw/zinc/41/93/97/730419397.db2.gz VWXWWPQCMHALFB-NSHDSACASA-N 1 0 355.276 2.891 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN(Cc2ccncc2)CCO1)c1cc(Cl)ccc1O ZINC000858565493 730428908 /nfs/dbraw/zinc/42/89/08/730428908.db2.gz QSAQYUWUJCJKLH-YOEHRIQHSA-N 1 0 361.873 2.992 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000862332357 730689083 /nfs/dbraw/zinc/68/90/83/730689083.db2.gz HDZLIHZQAXDKHB-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1F ZINC000862377089 730694235 /nfs/dbraw/zinc/69/42/35/730694235.db2.gz CHIUQJLXLULVOU-GOSISDBHSA-N 1 0 354.441 2.688 20 10 FFCDRO Cc1c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)ccnc1F ZINC000862392589 730696286 /nfs/dbraw/zinc/69/62/86/730696286.db2.gz NIOBHGMNOILXIJ-UHFFFAOYSA-N 1 0 351.372 2.934 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC000862484036 730704557 /nfs/dbraw/zinc/70/45/57/730704557.db2.gz ABJIDXZIWWNFQS-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c1O ZINC000862535996 730707429 /nfs/dbraw/zinc/70/74/29/730707429.db2.gz CQVVTLNZRQEJNP-GOSISDBHSA-N 1 0 361.873 2.740 20 10 FFCDRO COc1ccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cn1 ZINC000780142131 738521890 /nfs/dbraw/zinc/52/18/90/738521890.db2.gz DWNAKILZUIQTRI-JYRVWZFOSA-N 1 0 365.524 2.879 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000872276064 731747953 /nfs/dbraw/zinc/74/79/53/731747953.db2.gz UAHICNHVFVTDEI-HNNXBMFYSA-N 1 0 358.511 2.824 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872797420 731833000 /nfs/dbraw/zinc/83/30/00/731833000.db2.gz YTWGKMGFAWVIFP-HOCLYGCPSA-N 1 0 351.512 2.865 20 10 FFCDRO CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1C ZINC000873010040 731863329 /nfs/dbraw/zinc/86/33/29/731863329.db2.gz FPVAEPKLMZBPKP-UHFFFAOYSA-N 1 0 354.516 2.688 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C ZINC000873100751 731874884 /nfs/dbraw/zinc/87/48/84/731874884.db2.gz DAKNYISOHFIMAT-IEBWSBKVSA-N 1 0 367.511 2.610 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(Br)cn2)cc1OC ZINC000877734491 732420934 /nfs/dbraw/zinc/42/09/34/732420934.db2.gz VAPAXTNVAHFBTC-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000877799280 732434795 /nfs/dbraw/zinc/43/47/95/732434795.db2.gz LQKPGPUYBVERCZ-XYPHTWIQSA-N 1 0 366.889 2.677 20 10 FFCDRO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000879648566 732742743 /nfs/dbraw/zinc/74/27/43/732742743.db2.gz UGAUPXGLOITCQM-BXUZGUMPSA-N 1 0 360.435 2.696 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000880585013 732927205 /nfs/dbraw/zinc/92/72/05/732927205.db2.gz VCAXXUOGIQEPJT-OAHLLOKOSA-N 1 0 353.846 2.612 20 10 FFCDRO CN(C)c1ccc(-c2nc(-c3cn(C[C@H]4CCC[NH2+]4)nn3)cs2)cc1 ZINC000887380282 733917844 /nfs/dbraw/zinc/91/78/44/733917844.db2.gz XOAWYXUCBJUDIL-CQSZACIVSA-N 1 0 354.483 2.887 20 10 FFCDRO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000720875874 734380724 /nfs/dbraw/zinc/38/07/24/734380724.db2.gz DPNFDWQFTDVWQO-GXSJLCMTSA-N 1 0 353.182 2.724 20 10 FFCDRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000725844913 734395818 /nfs/dbraw/zinc/39/58/18/734395818.db2.gz BGWCZUDKVKTJMH-UHFFFAOYSA-N 1 0 360.479 2.573 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CSc2ccncc2)[NH+](C)C)cc1 ZINC000891258227 734406237 /nfs/dbraw/zinc/40/62/37/734406237.db2.gz QNQMQWBPVNDEDV-GOSISDBHSA-N 1 0 358.511 2.659 20 10 FFCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000891369154 734420616 /nfs/dbraw/zinc/42/06/16/734420616.db2.gz MBHQEYFXSBSWFT-JCNLHEQBSA-N 1 0 362.543 2.557 20 10 FFCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000727859910 734503753 /nfs/dbraw/zinc/50/37/53/734503753.db2.gz IJZNICIDACFRMQ-MRXNPFEDSA-N 1 0 361.511 2.996 20 10 FFCDRO CN(c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893573725 734721182 /nfs/dbraw/zinc/72/11/82/734721182.db2.gz QJTWBPXSSZIMQV-MSOLQXFVSA-N 1 0 352.450 2.697 20 10 FFCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1F ZINC000733330751 734809397 /nfs/dbraw/zinc/80/93/97/734809397.db2.gz LMMXKGBTXXERRG-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO COc1cccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1O ZINC000894765427 734913175 /nfs/dbraw/zinc/91/31/75/734913175.db2.gz HUVIXRRVSTWAPK-UHFFFAOYSA-N 1 0 369.874 2.637 20 10 FFCDRO CCOC(=O)c1ncc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895309739 734989680 /nfs/dbraw/zinc/98/96/80/734989680.db2.gz KEMSVMYRSYGLKF-ZDUSSCGKSA-N 1 0 361.467 2.697 20 10 FFCDRO C[C@H]([NH2+]Cc1cn(C)nc1I)c1ccccc1O ZINC000895460941 735009993 /nfs/dbraw/zinc/00/99/93/735009993.db2.gz WTYRNQLGJLGOKT-VIFPVBQESA-N 1 0 357.195 2.581 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(C)CC2(F)F)[NH+](C)C)cc1 ZINC000895792206 735056410 /nfs/dbraw/zinc/05/64/10/735056410.db2.gz BLKAWOFEKHWLOH-DOTOQJQBSA-N 1 0 354.445 2.700 20 10 FFCDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000895842160 735063067 /nfs/dbraw/zinc/06/30/67/735063067.db2.gz BVQKRLPUGSNNAM-LBPRGKRZSA-N 1 0 354.166 2.901 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCS1 ZINC000896705495 735180662 /nfs/dbraw/zinc/18/06/62/735180662.db2.gz MNFOSNLWQDRQFZ-UWWQBHOKSA-N 1 0 364.559 2.939 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000897025220 735192359 /nfs/dbraw/zinc/19/23/59/735192359.db2.gz WFCJHZCWPZGPNL-AWEZNQCLSA-N 1 0 369.259 2.784 20 10 FFCDRO CCc1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1O ZINC000897271758 735213718 /nfs/dbraw/zinc/21/37/18/735213718.db2.gz SIXUAPUHKIPYHP-UHFFFAOYSA-N 1 0 366.527 2.735 20 10 FFCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742376980 735234984 /nfs/dbraw/zinc/23/49/84/735234984.db2.gz JROWTEVVPNAOAO-OAHLLOKOSA-N 1 0 351.447 2.726 20 10 FFCDRO CN(C(=O)C1=CC(=O)CS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000755295259 736247692 /nfs/dbraw/zinc/24/76/92/736247692.db2.gz XAOONWLUBXKXOK-SJORKVTESA-N 1 0 365.543 2.863 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756484365 736335701 /nfs/dbraw/zinc/33/57/01/736335701.db2.gz VGRCSVSTTCXXGM-SWLSCSKDSA-N 1 0 364.442 2.648 20 10 FFCDRO Oc1ccc(Br)cc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000768250752 737409045 /nfs/dbraw/zinc/40/90/45/737409045.db2.gz CYPDUPSIKKHOAF-MRXNPFEDSA-N 1 0 369.303 2.841 20 10 FFCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000774489904 737994272 /nfs/dbraw/zinc/99/42/72/737994272.db2.gz WVDQLHZRWONKQY-ASFAAARLSA-N 1 0 368.905 2.757 20 10 FFCDRO COc1c([O-])c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000774847016 738031887 /nfs/dbraw/zinc/03/18/87/738031887.db2.gz SUYXEZNGIDQQER-UHFFFAOYSA-N 1 0 351.447 2.861 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)[C@H](CC)CN1C(C)=O ZINC000775721334 738117537 /nfs/dbraw/zinc/11/75/37/738117537.db2.gz WEKZQYDUMKDAOA-HZPDHXFCSA-N 1 0 350.459 2.631 20 10 FFCDRO O=C(C[C@H]1CCCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689155 739804862 /nfs/dbraw/zinc/80/48/62/739804862.db2.gz KMPGBVVFYADGNC-RHSMWYFYSA-N 1 0 366.889 2.943 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(C)cc1O ZINC000794801363 739932046 /nfs/dbraw/zinc/93/20/46/739932046.db2.gz IZNGDUVNUGHBQN-GOSISDBHSA-N 1 0 362.495 2.861 20 10 FFCDRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000796256864 740122533 /nfs/dbraw/zinc/12/25/33/740122533.db2.gz JEHMRGSTEPIMSJ-IBGZPJMESA-N 1 0 356.491 2.526 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000796529153 740150289 /nfs/dbraw/zinc/15/02/89/740150289.db2.gz MFVPFPQYXRMZGS-QWHCGFSZSA-N 1 0 361.515 2.919 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000797880199 740283774 /nfs/dbraw/zinc/28/37/74/740283774.db2.gz SSUFCRXLYCSPIU-UHFFFAOYSA-N 1 0 366.458 2.558 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)CSC)cc2F)CC1 ZINC000799933253 740465515 /nfs/dbraw/zinc/46/55/15/740465515.db2.gz IVAXWPAMTIZJDQ-UHFFFAOYSA-N 1 0 367.534 2.973 20 10 FFCDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000808445365 741226483 /nfs/dbraw/zinc/22/64/83/741226483.db2.gz VZJHYYGMDXEGRP-VBNZEHGJSA-N 1 0 367.287 2.891 20 10 FFCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000808726230 741255260 /nfs/dbraw/zinc/25/52/60/741255260.db2.gz UTAQQMJQRMEBCX-SNVBAGLBSA-N 1 0 350.278 2.629 20 10 FFCDRO CO[C@](C)(C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000812535859 741630674 /nfs/dbraw/zinc/63/06/74/741630674.db2.gz ISIDRFKJTPSUAA-LPHOPBHVSA-N 1 0 366.889 2.941 20 10 FFCDRO CN(C)C(=O)OC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000816655065 742051186 /nfs/dbraw/zinc/05/11/86/742051186.db2.gz OBQSZERZOZNHRE-UHFFFAOYSA-N 1 0 357.248 2.817 20 10 FFCDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887944 742220995 /nfs/dbraw/zinc/22/09/95/742220995.db2.gz HJEACFISVQNVRV-SUMWQHHRSA-N 1 0 357.420 2.630 20 10 FFCDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817965177 742225044 /nfs/dbraw/zinc/22/50/44/742225044.db2.gz NMGQOQTZHVLBIV-ZETCQYMHSA-N 1 0 364.081 2.787 20 10 FFCDRO C[NH+](C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccsc1 ZINC000819163970 742346581 /nfs/dbraw/zinc/34/65/81/742346581.db2.gz CYHNKUVDMDCMNO-HNNXBMFYSA-N 1 0 359.451 2.521 20 10 FFCDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000824738728 743139600 /nfs/dbraw/zinc/13/96/00/743139600.db2.gz QLJMFGITIYNFRF-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1C ZINC000824831252 743158633 /nfs/dbraw/zinc/15/86/33/743158633.db2.gz VPLZEQSQFFWZJJ-HIFRSBDPSA-N 1 0 356.388 2.852 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000825358249 743255954 /nfs/dbraw/zinc/25/59/54/743255954.db2.gz PLWQQHXERMENRP-HZPDHXFCSA-N 1 0 369.303 2.888 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)[C@]12CCCO2 ZINC000825514651 743285673 /nfs/dbraw/zinc/28/56/73/743285673.db2.gz REXXLCJJHXIWMB-BZUAXINKSA-N 1 0 356.260 2.971 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)c1 ZINC000826889904 743463342 /nfs/dbraw/zinc/46/33/42/743463342.db2.gz ZXKSKWKJFOHUDQ-OLZOCXBDSA-N 1 0 361.360 2.964 20 10 FFCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000827838136 744987367 /nfs/dbraw/zinc/98/73/67/744987367.db2.gz UDZWHBGVKLGAFM-HNNXBMFYSA-N 1 0 358.511 2.776 20 10 FFCDRO [NH3+][C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000830665501 745401556 /nfs/dbraw/zinc/40/15/56/745401556.db2.gz YIMHIEVDUPEYNN-CJNGLKHVSA-N 1 0 353.413 2.500 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000834585838 745863147 /nfs/dbraw/zinc/86/31/47/745863147.db2.gz UNFDDIYLVUDHGD-FQEVSTJZSA-N 1 0 362.539 2.980 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000834850814 745913794 /nfs/dbraw/zinc/91/37/94/745913794.db2.gz PYJFIUMESAZHMG-UKRRQHHQSA-N 1 0 371.319 2.961 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(Br)cc1O ZINC000834851266 745914614 /nfs/dbraw/zinc/91/46/14/745914614.db2.gz WBIKJKSNVZJIMZ-OCCSQVGLSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)ccc1O ZINC000834913948 745923498 /nfs/dbraw/zinc/92/34/98/745923498.db2.gz JORVFAJHUPEOPA-ZKYQVNSYSA-N 1 0 353.260 2.959 20 10 FFCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838784817 746712622 /nfs/dbraw/zinc/71/26/22/746712622.db2.gz UYDYCZGXIMQQIU-AWEZNQCLSA-N 1 0 366.303 2.747 20 10 FFCDRO COc1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)ccc1OCC(N)=O ZINC000840886049 747212747 /nfs/dbraw/zinc/21/27/47/747212747.db2.gz MRVGFZLLTPDNKR-UHFFFAOYSA-N 1 0 364.829 2.517 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841977930 747495471 /nfs/dbraw/zinc/49/54/71/747495471.db2.gz QASZKJIKRABOSD-BXUZGUMPSA-N 1 0 370.291 2.684 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(Cl)ccc1O ZINC000842882577 747713234 /nfs/dbraw/zinc/71/32/34/747713234.db2.gz HFJNERNJDOYEQF-YPMHNXCESA-N 1 0 367.854 2.931 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1C ZINC000842883220 747713581 /nfs/dbraw/zinc/71/35/81/747713581.db2.gz LNGCWPORIBTJIG-GJZGRUSLSA-N 1 0 361.463 2.895 20 10 FFCDRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000842901698 747716657 /nfs/dbraw/zinc/71/66/57/747716657.db2.gz KEMLOCGMIBNZLC-CQSZACIVSA-N 1 0 363.893 2.589 20 10 FFCDRO COc1cc(Br)cc(CN[C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843129559 747778448 /nfs/dbraw/zinc/77/84/48/747778448.db2.gz WEYZIOMHRBTQCG-AWEZNQCLSA-N 1 0 355.276 2.928 20 10 FFCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000844173038 747983139 /nfs/dbraw/zinc/98/31/39/747983139.db2.gz MOIKJSPHCNUZMW-HNNXBMFYSA-N 1 0 358.511 2.730 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000844903229 748132438 /nfs/dbraw/zinc/13/24/38/748132438.db2.gz VPCOCIKRHYVGAR-PEYYIBSZSA-N 1 0 369.849 2.672 20 10 FFCDRO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000846102142 748407497 /nfs/dbraw/zinc/40/74/97/748407497.db2.gz CYTUGARSCFGQPP-RLSLOFABSA-N 1 0 352.503 2.955 20 10 FFCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846213686 748431636 /nfs/dbraw/zinc/43/16/36/748431636.db2.gz JTAVBCILDYHYBY-BEFAXECRSA-N 1 0 368.905 2.759 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000848532836 748951860 /nfs/dbraw/zinc/95/18/60/748951860.db2.gz FMGCQDLXPWJQMQ-JQWIXIFHSA-N 1 0 371.275 2.823 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)c1O ZINC000848546563 748955910 /nfs/dbraw/zinc/95/59/10/748955910.db2.gz BLMZIBRWGMBIDE-MRVPVSSYSA-N 1 0 369.215 2.706 20 10 FFCDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563576 748961577 /nfs/dbraw/zinc/96/15/77/748961577.db2.gz VICYHCSWUPOPJO-RWMBFGLXSA-N 1 0 357.292 2.742 20 10 FFCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000848916485 749034184 /nfs/dbraw/zinc/03/41/84/749034184.db2.gz VCGDLGIDSCQKED-UKRRQHHQSA-N 1 0 356.388 2.797 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000852469413 749868928 /nfs/dbraw/zinc/86/89/28/749868928.db2.gz VAVSYNVRAUFBPL-LBPRGKRZSA-N 1 0 370.291 2.827 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2c1C[NH2+]C2 ZINC000852789598 749956288 /nfs/dbraw/zinc/95/62/88/749956288.db2.gz HXRFIJNJWVFYQO-UHFFFAOYSA-N 1 0 353.491 2.773 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000397402374 845866726 /nfs/dbraw/zinc/86/67/26/845866726.db2.gz ACIRIIZGIXEQSA-LSDHHAIUSA-N 1 0 350.459 2.987 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC([NH2+]C4CCC4)CC3)C2)cc1 ZINC000895651484 970822101 /nfs/dbraw/zinc/82/21/01/970822101.db2.gz ZPYWRXSJCDJSTR-GOSISDBHSA-N 1 0 372.513 2.590 20 10 FFCDRO O=C1CO[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)CN1Cc1ccccc1 ZINC000895680064 970846354 /nfs/dbraw/zinc/84/63/54/970846354.db2.gz JWOVMXLMYCDVGL-NRFANRHFSA-N 1 0 370.424 2.535 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C)nn2C(C)(C)C)c1 ZINC000182448331 971029612 /nfs/dbraw/zinc/02/96/12/971029612.db2.gz IJRUUEUMFSTNLI-ZDUSSCGKSA-N 1 0 360.458 2.950 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2cc(C3CC3)no2)[NH+](C)C)cc1 ZINC000896491871 971510388 /nfs/dbraw/zinc/51/03/88/971510388.db2.gz CZOWFMHKFOLYAP-IBGZPJMESA-N 1 0 371.485 2.720 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275893028 1013149329 /nfs/dbraw/zinc/14/93/29/1013149329.db2.gz NWIYFKOIUWMUGO-MLGOLLRUSA-N 1 0 364.873 2.741 20 10 FFCDRO CCOCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275895038 1013152760 /nfs/dbraw/zinc/15/27/60/1013152760.db2.gz XGPVYNSYEGJDMH-MRXNPFEDSA-N 1 0 366.889 2.800 20 10 FFCDRO Cn1cncc1CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275896579 1013157510 /nfs/dbraw/zinc/15/75/10/1013157510.db2.gz ZHKGZFKYMTVWNX-LJQANCHMSA-N 1 0 374.872 2.546 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001271241944 972403175 /nfs/dbraw/zinc/40/31/75/972403175.db2.gz MLBLEDBOXKRSAR-STQMWFEESA-N 1 0 358.360 2.729 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@H](O)C2CC2)C1 ZINC000890719028 960100777 /nfs/dbraw/zinc/10/07/77/960100777.db2.gz AIJIFQWNTKJHPC-NRFANRHFSA-N 1 0 369.509 2.685 20 10 FFCDRO CC1([NH+]2CCCCC2)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000872664590 1013245327 /nfs/dbraw/zinc/24/53/27/1013245327.db2.gz LEMSTMPHRXZTLN-UHFFFAOYSA-N 1 0 374.441 2.771 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3nc(C4CCC4)no3)CC1)[C@@H](O)CO2 ZINC000872718976 1013251835 /nfs/dbraw/zinc/25/18/35/1013251835.db2.gz QIUFSHYLOOYVNM-KRWDZBQOSA-N 1 0 371.437 2.848 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1Cn1cccn1 ZINC000873013029 1013348327 /nfs/dbraw/zinc/34/83/27/1013348327.db2.gz QZTGMSGFKKDUNB-GOSISDBHSA-N 1 0 351.454 2.841 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CCC3(CCC3)O2)[NH+](C)C)cc1 ZINC000891243313 962538435 /nfs/dbraw/zinc/53/84/35/962538435.db2.gz LLRUWIYGUVGKAX-RBUKOAKNSA-N 1 0 359.514 2.963 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891257221 962618408 /nfs/dbraw/zinc/61/84/08/962618408.db2.gz FRJAYWOBJZLQRM-LJQANCHMSA-N 1 0 370.453 2.622 20 10 FFCDRO CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000891258159 962625176 /nfs/dbraw/zinc/62/51/76/962625176.db2.gz PCMGMXIXRLTWHQ-HXUWFJFHSA-N 1 0 368.481 2.744 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1Cn1cccn1 ZINC000873072336 1013375338 /nfs/dbraw/zinc/37/53/38/1013375338.db2.gz UNSKOGVWIXIACG-AREMUKBSSA-N 1 0 369.490 2.967 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1Cn1cccn1 ZINC000873099564 1013385323 /nfs/dbraw/zinc/38/53/23/1013385323.db2.gz MTIKZKZQGAYSNW-FQEVSTJZSA-N 1 0 369.440 2.772 20 10 FFCDRO COC(C)(C)CN1CCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001276064712 1013394522 /nfs/dbraw/zinc/39/45/22/1013394522.db2.gz VGANHCFDRJWHBI-UHFFFAOYSA-N 1 0 364.461 2.771 20 10 FFCDRO CC(C)c1nc2ncnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2[nH]1 ZINC001167431388 963093591 /nfs/dbraw/zinc/09/35/91/963093591.db2.gz XGMURPDHLRZISP-UHFFFAOYSA-N 1 0 365.485 2.840 20 10 FFCDRO C[C@H](NC(=O)NC1(C[NH3+])CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000891440052 964050816 /nfs/dbraw/zinc/05/08/16/964050816.db2.gz DHLGEZZRUVKJLY-INIZCTEOSA-N 1 0 360.502 2.545 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H](O)C(C)C)cc1C ZINC001087160773 964274205 /nfs/dbraw/zinc/27/42/05/964274205.db2.gz CEPVXGKUPPROHA-MOXGXCLJSA-N 1 0 362.514 2.737 20 10 FFCDRO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000894315167 964667144 /nfs/dbraw/zinc/66/71/44/964667144.db2.gz FHYBDSWSXCLBAF-QGZVFWFLSA-N 1 0 360.454 2.811 20 10 FFCDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(N2CCOCC2)c(F)c1 ZINC000161065399 964838623 /nfs/dbraw/zinc/83/86/23/964838623.db2.gz XYFFTJVRAZGEPC-HNNXBMFYSA-N 1 0 369.444 2.598 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000894372714 965092469 /nfs/dbraw/zinc/09/24/69/965092469.db2.gz NASQFJBHDJEVRK-QGZVFWFLSA-N 1 0 359.474 2.831 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000176092456 965417875 /nfs/dbraw/zinc/41/78/75/965417875.db2.gz QCJWCRZSXRKSBR-MJGOQNOKSA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cncn2C)cc1C ZINC001087187157 965508451 /nfs/dbraw/zinc/50/84/51/965508451.db2.gz YVNYDFSHQWVNGK-QAPCUYQASA-N 1 0 370.497 2.768 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(O)c1OC ZINC000894688406 965607311 /nfs/dbraw/zinc/60/73/11/965607311.db2.gz SDFLABWYWPSTIT-JXFKEZNVSA-N 1 0 361.413 2.709 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c(O)c1OC ZINC000894758787 965673210 /nfs/dbraw/zinc/67/32/10/965673210.db2.gz RYGHUVISYOKHJW-KGLIPLIRSA-N 1 0 370.449 2.865 20 10 FFCDRO CC(C)C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)n1ccnc1 ZINC000873861334 1013665764 /nfs/dbraw/zinc/66/57/64/1013665764.db2.gz ASJAEBJPYQCKBS-FQEVSTJZSA-N 1 0 370.497 2.966 20 10 FFCDRO CC(C)C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000052589480 967715949 /nfs/dbraw/zinc/71/59/49/967715949.db2.gz AKDCZPSXUBDITF-UHFFFAOYSA-N 1 0 365.493 2.645 20 10 FFCDRO Oc1cc(O)c(CCNc2c[nH+]c3cc(Br)ccn23)cc1O ZINC001168013768 967989054 /nfs/dbraw/zinc/98/90/54/967989054.db2.gz JKFODVQBMXGVEY-UHFFFAOYSA-N 1 0 364.199 2.868 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1OC ZINC000892467288 968902857 /nfs/dbraw/zinc/90/28/57/968902857.db2.gz XHPMDSMKZXZWBO-ZDUSSCGKSA-N 1 0 354.410 2.841 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000892920482 970370954 /nfs/dbraw/zinc/37/09/54/970370954.db2.gz ZEJIRAUQUDCRGZ-UHFFFAOYSA-N 1 0 360.502 2.531 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000237257738 970400429 /nfs/dbraw/zinc/40/04/29/970400429.db2.gz MQSKQJYEBFYYPO-SJORKVTESA-N 1 0 359.514 2.806 20 10 FFCDRO COc1ccc(CN2CC[C@@H]2CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875812516 1014080401 /nfs/dbraw/zinc/08/04/01/1014080401.db2.gz VERGSEBGPDBJGS-QGZVFWFLSA-N 1 0 367.449 2.701 20 10 FFCDRO COC(=O)c1ccccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000897311090 974075820 /nfs/dbraw/zinc/07/58/20/974075820.db2.gz PYHCOSNCNLWARL-UHFFFAOYSA-N 1 0 368.477 2.767 20 10 FFCDRO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cc([O-])[nH]c(=O)c1 ZINC001271796493 974341869 /nfs/dbraw/zinc/34/18/69/974341869.db2.gz HTWAXCSUAGFMSA-XIRDDKMYSA-N 1 0 361.486 2.998 20 10 FFCDRO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([O-])[nH]c(=O)c3)[C@@H]2C1 ZINC001271796122 974341924 /nfs/dbraw/zinc/34/19/24/974341924.db2.gz DOMWCVJWEGSSDZ-YQQAZPJKSA-N 1 0 361.486 2.856 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cnc4ccccc4c3)cc2)CC1 ZINC000893607314 975898746 /nfs/dbraw/zinc/89/87/46/975898746.db2.gz FYEWUKNNVJDPTD-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCSc3ccccn3)cc2)CC1 ZINC000893606992 975901325 /nfs/dbraw/zinc/90/13/25/975901325.db2.gz CQBFLKGMKRRRMS-UHFFFAOYSA-N 1 0 370.522 2.632 20 10 FFCDRO CCCn1nc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000893607729 975909144 /nfs/dbraw/zinc/90/91/44/975909144.db2.gz KFALCVXCZYQHNA-UHFFFAOYSA-N 1 0 369.513 2.592 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001207570778 975953181 /nfs/dbraw/zinc/95/31/81/975953181.db2.gz ULSFWSZQZOWLHJ-HNNXBMFYSA-N 1 0 354.219 2.987 20 10 FFCDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066972734 976083591 /nfs/dbraw/zinc/08/35/91/976083591.db2.gz UEKWEZSLFYSUSK-UHFFFAOYSA-N 1 0 357.429 2.911 20 10 FFCDRO Cc1cc(C)n2c(C[NH2+]C[C@H](c3ccc(N(C)C)cc3)N(C)C)cnc2n1 ZINC000898450128 976461602 /nfs/dbraw/zinc/46/16/02/976461602.db2.gz NYAGLSORRDRZLV-HXUWFJFHSA-N 1 0 366.513 2.805 20 10 FFCDRO COc1cc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc(OC)c1O ZINC000898450242 976462331 /nfs/dbraw/zinc/46/23/31/976462331.db2.gz PGVMTXUAORROEX-GOSISDBHSA-N 1 0 373.497 2.868 20 10 FFCDRO CC[C@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCCO1 ZINC000899104694 976916775 /nfs/dbraw/zinc/91/67/75/976916775.db2.gz SGPONQPHKYEMGH-OALUTQOASA-N 1 0 362.518 2.566 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000876728463 1014367585 /nfs/dbraw/zinc/36/75/85/1014367585.db2.gz MPQQRNQVJUWULG-LJQANCHMSA-N 1 0 369.513 2.892 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000107927086 977304447 /nfs/dbraw/zinc/30/44/47/977304447.db2.gz RUCJNICRIXVZED-IRXDYDNUSA-N 1 0 370.497 2.718 20 10 FFCDRO COc1ccc(CN2CCO[C@H](COc3ccccc3)C2)c(O)c1OC ZINC000893985709 977629823 /nfs/dbraw/zinc/62/98/23/977629823.db2.gz LEYBKIBBCDRWBA-KRWDZBQOSA-N 1 0 359.422 2.689 20 10 FFCDRO CC(=O)Nc1ccc(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877012312 1014448859 /nfs/dbraw/zinc/44/88/59/1014448859.db2.gz RRXOXOVSURWKIN-UHFFFAOYSA-N 1 0 367.493 2.938 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c1O ZINC000894192668 978125597 /nfs/dbraw/zinc/12/55/97/978125597.db2.gz AFDCDEZYMOEFOF-UHFFFAOYSA-N 1 0 356.466 2.831 20 10 FFCDRO COCCC(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894198858 978131936 /nfs/dbraw/zinc/13/19/36/978131936.db2.gz QWEMCJHWQRPJQY-SFHVURJKSA-N 1 0 364.534 2.717 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)c(OC)c1 ZINC000877228118 1014519279 /nfs/dbraw/zinc/51/92/79/1014519279.db2.gz UCDAFDWIXLWOKQ-OAHLLOKOSA-N 1 0 369.465 2.686 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Nc1cccc(F)c1 ZINC000877530341 1014615651 /nfs/dbraw/zinc/61/56/51/1014615651.db2.gz CUPIKIXQZHIMNU-UHFFFAOYSA-N 1 0 357.429 2.515 20 10 FFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000905147357 980393055 /nfs/dbraw/zinc/39/30/55/980393055.db2.gz VVTOXXTVJGFZKU-OAQYLSRUSA-N 1 0 358.457 2.918 20 10 FFCDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)ccn1 ZINC000877637658 1014654271 /nfs/dbraw/zinc/65/42/71/1014654271.db2.gz YNTXUVUUYNPBIL-MRXNPFEDSA-N 1 0 355.482 2.772 20 10 FFCDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877632142 1014655152 /nfs/dbraw/zinc/65/51/52/1014655152.db2.gz ZVLGJFUGLUIQOF-KNQAVFIVSA-N 1 0 368.525 2.882 20 10 FFCDRO CCOc1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c(O)c1 ZINC000877688268 1014681611 /nfs/dbraw/zinc/68/16/11/1014681611.db2.gz SAARIYLDBKCNBH-PKOBYXMFSA-N 1 0 369.465 2.795 20 10 FFCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001272048993 980725248 /nfs/dbraw/zinc/72/52/48/980725248.db2.gz PHBSXRKXKZOVOO-FQEVSTJZSA-N 1 0 360.454 2.674 20 10 FFCDRO C[N@@H+]1C[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)[C@H](c2ccccc2)C1 ZINC000897591512 982358234 /nfs/dbraw/zinc/35/82/34/982358234.db2.gz DZUKADVQDMMNQL-MSOLQXFVSA-N 1 0 351.450 2.763 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)c3ccc[nH]3)cc2F)CC1 ZINC000760357145 982374822 /nfs/dbraw/zinc/37/48/22/982374822.db2.gz RDRUSRJNCRNCLP-OAHLLOKOSA-N 1 0 373.476 2.856 20 10 FFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(N)cc1 ZINC000841957244 982465010 /nfs/dbraw/zinc/46/50/10/982465010.db2.gz HCVIJUSEJVDHHF-FQEVSTJZSA-N 1 0 366.509 2.975 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000826020873 1014847512 /nfs/dbraw/zinc/84/75/12/1014847512.db2.gz XXVWZJZMFYYLNG-INIZCTEOSA-N 1 0 355.486 2.605 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000878239957 1014938775 /nfs/dbraw/zinc/93/87/75/1014938775.db2.gz CIRKTDGSOKYEQQ-SJBKTWHCSA-N 1 0 371.477 2.858 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000911632741 983859942 /nfs/dbraw/zinc/85/99/42/983859942.db2.gz JTKUBWQMOSANQM-GOSISDBHSA-N 1 0 367.497 2.939 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C)nc2C2CCCC2)cc1 ZINC000911667357 983864070 /nfs/dbraw/zinc/86/40/70/983864070.db2.gz QIAHEMGSCQBQEX-SFHVURJKSA-N 1 0 355.486 2.574 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000878358080 1015001817 /nfs/dbraw/zinc/00/18/17/1015001817.db2.gz LNNCRQATMHMQBM-YLJYHZDGSA-N 1 0 362.514 2.620 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000912901011 984143441 /nfs/dbraw/zinc/14/34/41/984143441.db2.gz WTIVBTKZBUYVNG-HXUWFJFHSA-N 1 0 351.450 2.827 20 10 FFCDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc1C ZINC000996817148 984715280 /nfs/dbraw/zinc/71/52/80/984715280.db2.gz KHQUOFYUYURPFG-HFSMHLIXSA-N 1 0 372.509 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C ZINC000764979901 984887902 /nfs/dbraw/zinc/88/79/02/984887902.db2.gz HTKAHRRZSVDZGA-HXUWFJFHSA-N 1 0 368.477 2.563 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 ZINC000765404487 985075368 /nfs/dbraw/zinc/07/53/68/985075368.db2.gz ZMMVUPDKTBZUKH-NRFANRHFSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000171264894 985253824 /nfs/dbraw/zinc/25/38/24/985253824.db2.gz UHRLENHTNVRHCG-KSZLIROESA-N 1 0 359.514 2.995 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2F)C[C@H](C)O1 ZINC000921553346 985298245 /nfs/dbraw/zinc/29/82/45/985298245.db2.gz SZOUAELUKOIGNY-GJZGRUSLSA-N 1 0 364.440 2.895 20 10 FFCDRO O=C(c1ccncc1)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921559703 985399975 /nfs/dbraw/zinc/39/99/75/985399975.db2.gz FNQIMDZITNYJGQ-UHFFFAOYSA-N 1 0 351.450 2.801 20 10 FFCDRO COc1ccc(N2CCC[N@H+](CC(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000171919297 985431061 /nfs/dbraw/zinc/43/10/61/985431061.db2.gz RZYMCJWSRCYMII-UHFFFAOYSA-N 1 0 367.493 2.832 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2F)C[C@H](C)O1 ZINC000173919332 986019464 /nfs/dbraw/zinc/01/94/64/986019464.db2.gz XGIRCTUNEXNPSG-GASCZTMLSA-N 1 0 363.477 2.540 20 10 FFCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CCC(F)(F)F ZINC001089067884 986169120 /nfs/dbraw/zinc/16/91/20/986169120.db2.gz APYSWYGHBFMPLK-MFKMUULPSA-N 1 0 371.363 2.994 20 10 FFCDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC000843112568 986220736 /nfs/dbraw/zinc/22/07/36/986220736.db2.gz HMKPREHPPFFNGI-MRXNPFEDSA-N 1 0 358.438 2.565 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1O ZINC000073651810 986953095 /nfs/dbraw/zinc/95/30/95/986953095.db2.gz PRUFVLYCDOQSAQ-QGZVFWFLSA-N 1 0 363.502 2.957 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000914254493 987404226 /nfs/dbraw/zinc/40/42/26/987404226.db2.gz KYUIPKYCUIVKSF-FQEVSTJZSA-N 1 0 374.529 2.585 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1F ZINC000915365489 988483260 /nfs/dbraw/zinc/48/32/60/988483260.db2.gz GKWXVQDNDKHBJA-SFHVURJKSA-N 1 0 373.476 2.779 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@]3(c4ccccc4)C[C@@H](O)C3)cc2)CC1 ZINC000922535696 988676808 /nfs/dbraw/zinc/67/68/08/988676808.db2.gz VZBCHEDWMLSWCK-YHBQERECSA-N 1 0 366.505 2.830 20 10 FFCDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCOCC2 ZINC000922539036 988681381 /nfs/dbraw/zinc/68/13/81/988681381.db2.gz SUTYLQMQLMRVRT-QZTJIDSGSA-N 1 0 363.454 2.963 20 10 FFCDRO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000922871380 988970765 /nfs/dbraw/zinc/97/07/65/988970765.db2.gz FJHFCQJZJOENNT-SJORKVTESA-N 1 0 356.470 2.895 20 10 FFCDRO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000922871373 988971400 /nfs/dbraw/zinc/97/14/00/988971400.db2.gz FJHFCQJZJOENNT-IAGOWNOFSA-N 1 0 356.470 2.895 20 10 FFCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000074060559 989504604 /nfs/dbraw/zinc/50/46/04/989504604.db2.gz ANJMIJYOSYVYSY-LJQANCHMSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154090844 989841615 /nfs/dbraw/zinc/84/16/15/989841615.db2.gz CJXXYQGVOLWWPM-GHTZIAJQSA-N 1 0 373.541 2.992 20 10 FFCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000916836872 989995960 /nfs/dbraw/zinc/99/59/60/989995960.db2.gz SYHOECSMQDGMEG-HNNXBMFYSA-N 1 0 362.474 2.980 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCc2nnnn2-c2ccccc2)C2CC2)cc1 ZINC000917074819 990117619 /nfs/dbraw/zinc/11/76/19/990117619.db2.gz GYWUTYKMJFYMCR-UHFFFAOYSA-N 1 0 362.481 2.935 20 10 FFCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000923009740 990790574 /nfs/dbraw/zinc/79/05/74/990790574.db2.gz BHYSAWBHUBFNFN-IQGASKDCSA-N 1 0 370.468 2.845 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000179894797 991368813 /nfs/dbraw/zinc/36/88/13/991368813.db2.gz LBIYSRAVFVFSMU-IBGZPJMESA-N 1 0 359.514 2.604 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000179928717 991380371 /nfs/dbraw/zinc/38/03/71/991380371.db2.gz NHWAKXJJIWQZBG-MRXNPFEDSA-N 1 0 359.401 2.936 20 10 FFCDRO c1ccc(CN2CCc3cc(C[N@@H+]4CCN5CCOC[C@H]5C4)ccc32)cc1 ZINC000809638526 994564450 /nfs/dbraw/zinc/56/44/50/994564450.db2.gz BEIAJACNEWQYLS-JOCHJYFZSA-N 1 0 363.505 2.766 20 10 FFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(OC)c2O)c(OC)c1 ZINC000809741537 994601874 /nfs/dbraw/zinc/60/18/74/994601874.db2.gz PJSHUNGYKLSGHD-ZDUSSCGKSA-N 1 0 374.437 2.925 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000809750472 994603514 /nfs/dbraw/zinc/60/35/14/994603514.db2.gz XPISKHBRNGSKGB-UHFFFAOYSA-N 1 0 372.513 2.829 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCOC3)C[C@H]2C)cc1C ZINC001082468611 994663723 /nfs/dbraw/zinc/66/37/23/994663723.db2.gz BGOKUGCZNUTBGJ-ZHALLVOQSA-N 1 0 360.498 2.757 20 10 FFCDRO CC[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216468 994731211 /nfs/dbraw/zinc/73/12/11/994731211.db2.gz WDJVANDJMPCRKE-HNNXBMFYSA-N 1 0 373.419 2.616 20 10 FFCDRO C[C@H]1CCC[C@@H](OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001132902245 995198548 /nfs/dbraw/zinc/19/85/48/995198548.db2.gz JBTREROOMTYRHX-FXAWDEMLSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCCC3CC3)CC2)cc1 ZINC000812450936 995436876 /nfs/dbraw/zinc/43/68/76/995436876.db2.gz AVUGSKPHXACWGS-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO COC(=O)c1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n(C)c1C ZINC000812744950 995522515 /nfs/dbraw/zinc/52/25/15/995522515.db2.gz ZKXZGMCSPYRAES-UHFFFAOYSA-N 1 0 371.481 2.841 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)c3ccccc3OC)CC2)cc1 ZINC000812833310 995548215 /nfs/dbraw/zinc/54/82/15/995548215.db2.gz HUGPLSFADJPECW-FQEVSTJZSA-N 1 0 356.466 2.996 20 10 FFCDRO CCc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082890846 995749371 /nfs/dbraw/zinc/74/93/71/995749371.db2.gz CUUKGBRLDYBRKU-RHSMWYFYSA-N 1 0 356.470 2.539 20 10 FFCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000824086169 996792818 /nfs/dbraw/zinc/79/28/18/996792818.db2.gz UJIMQJQIJMTPHL-IBGZPJMESA-N 1 0 367.493 2.995 20 10 FFCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000824710350 997065802 /nfs/dbraw/zinc/06/58/02/997065802.db2.gz XXBQAGQZWGXBEW-QFBILLFUSA-N 1 0 363.458 2.726 20 10 FFCDRO COC(=O)c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cc1F ZINC000826845129 1016100291 /nfs/dbraw/zinc/10/02/91/1016100291.db2.gz GFJWSPICOOSHGQ-OAHLLOKOSA-N 1 0 358.413 2.989 20 10 FFCDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1O ZINC000825130541 997224117 /nfs/dbraw/zinc/22/41/17/997224117.db2.gz YYEAOZGLZRDZOQ-JXFKEZNVSA-N 1 0 357.450 2.943 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1 ZINC000825132157 997228125 /nfs/dbraw/zinc/22/81/25/997228125.db2.gz PFPPDBOEVZIEIO-UHFFFAOYSA-N 1 0 363.421 2.807 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1C ZINC000731206929 997747313 /nfs/dbraw/zinc/74/73/13/997747313.db2.gz ICAAZPCGPGWCPG-OXQOHEQNSA-N 1 0 373.541 2.822 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000844400646 997860867 /nfs/dbraw/zinc/86/08/67/997860867.db2.gz FFOPADJWVHXLIP-LJQANCHMSA-N 1 0 359.426 2.705 20 10 FFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC(=O)NCc1ccco1 ZINC000731847713 998276673 /nfs/dbraw/zinc/27/66/73/998276673.db2.gz MTOLXKPHPZCSHX-UHFFFAOYSA-N 1 0 371.437 2.756 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000732230100 998562579 /nfs/dbraw/zinc/56/25/79/998562579.db2.gz AWUXLYGBMDFVKK-UHFFFAOYSA-N 1 0 354.406 2.567 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2cnn(CC3CC3)c21 ZINC001144508676 998609768 /nfs/dbraw/zinc/60/97/68/998609768.db2.gz UWWFNQMYMPQJBX-OAHLLOKOSA-N 1 0 373.453 2.546 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001144515536 998627611 /nfs/dbraw/zinc/62/76/11/998627611.db2.gz AWDQOHQBYNBGOJ-RISCZKNCSA-N 1 0 352.431 2.539 20 10 FFCDRO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144516375 998628739 /nfs/dbraw/zinc/62/87/39/998628739.db2.gz WQOFWMGLLVIMFQ-SMDDNHRTSA-N 1 0 352.431 2.681 20 10 FFCDRO Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cnn1C ZINC000903873803 1016279887 /nfs/dbraw/zinc/27/98/87/1016279887.db2.gz MFBFZAMCNDABAQ-HXUWFJFHSA-N 1 0 369.557 2.968 20 10 FFCDRO COC(=O)COc1c(C)cc(C[NH2+]Cc2cc(OC)ccc2O)cc1C ZINC000734003701 999170855 /nfs/dbraw/zinc/17/08/55/999170855.db2.gz VULGZQXNUNRZDK-UHFFFAOYSA-N 1 0 359.422 2.859 20 10 FFCDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000766208900 999202355 /nfs/dbraw/zinc/20/23/55/999202355.db2.gz ARIGQIXRQVJASY-QGZVFWFLSA-N 1 0 369.509 2.980 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cncn2C)cc1C ZINC001085261253 999278957 /nfs/dbraw/zinc/27/89/57/999278957.db2.gz DNRFVNRZIRMTJK-IAGOWNOFSA-N 1 0 356.470 2.568 20 10 FFCDRO CCOc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(O)c1 ZINC000740005848 999656940 /nfs/dbraw/zinc/65/69/40/999656940.db2.gz HTRBGZRKMHIRGK-TZIWHRDSSA-N 1 0 370.493 2.764 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000741775419 999741480 /nfs/dbraw/zinc/74/14/80/999741480.db2.gz UDEODUZAMHYOPM-FQEVSTJZSA-N 1 0 369.513 2.894 20 10 FFCDRO CC[NH+]1CCN(CC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000742247596 999766442 /nfs/dbraw/zinc/76/64/42/999766442.db2.gz NVONZUHMKQRYQV-UHFFFAOYSA-N 1 0 372.557 2.709 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742800910 999787772 /nfs/dbraw/zinc/78/77/72/999787772.db2.gz MRJOKUVLZHYJFP-PBHICJAKSA-N 1 0 367.440 2.857 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000745855564 999935103 /nfs/dbraw/zinc/93/51/03/999935103.db2.gz WFHUSLWMAULBHT-NXHRZFHOSA-N 1 0 361.486 2.566 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1COc2ccccc2O1 ZINC000768178067 1000189879 /nfs/dbraw/zinc/18/98/79/1000189879.db2.gz CVADYDZKNXTAQU-QGZVFWFLSA-N 1 0 372.440 2.934 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccccc2C(=O)N(C)C)cc1 ZINC000846051891 1000197829 /nfs/dbraw/zinc/19/78/29/1000197829.db2.gz MBLGIAKVPPKMNZ-UHFFFAOYSA-N 1 0 355.482 2.965 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1O ZINC000846146428 1000219231 /nfs/dbraw/zinc/21/92/31/1000219231.db2.gz RQNFNDUJIMEJSR-HNNXBMFYSA-N 1 0 370.449 2.724 20 10 FFCDRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000846187319 1000225716 /nfs/dbraw/zinc/22/57/16/1000225716.db2.gz KKHJSLLKABVPOI-PKOBYXMFSA-N 1 0 374.506 2.690 20 10 FFCDRO Cc1cccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1C ZINC000768438535 1000248799 /nfs/dbraw/zinc/24/87/99/1000248799.db2.gz UGKJENGKGCRSAZ-FQEVSTJZSA-N 1 0 354.450 2.757 20 10 FFCDRO Oc1cc2c(cc1CN1CCC[N@H+](Cc3ccccc3)CC1)[C@H](O)CO2 ZINC000768442578 1000248881 /nfs/dbraw/zinc/24/88/81/1000248881.db2.gz TXTKATJNVPMFOP-HXUWFJFHSA-N 1 0 354.450 2.526 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464611 1000263367 /nfs/dbraw/zinc/26/33/67/1000263367.db2.gz DAKSWYGDSPGFPN-WHSLLNHNSA-N 1 0 368.477 2.913 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(F)c3)CCOCC1)[C@@H](O)CO2 ZINC000768465017 1000263533 /nfs/dbraw/zinc/26/35/33/1000263533.db2.gz JCLURXMSTRTPOJ-SFHVURJKSA-N 1 0 359.397 2.753 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000768539992 1000290413 /nfs/dbraw/zinc/29/04/13/1000290413.db2.gz ZGZJOLBUIXSMCG-UHFFFAOYSA-N 1 0 355.438 2.955 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000846696253 1000411893 /nfs/dbraw/zinc/41/18/93/1000411893.db2.gz DCLNZFLYNLTDDL-OXQOHEQNSA-N 1 0 355.482 2.926 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccccc3-n3cncn3)CC2)cc1 ZINC000768997384 1000413953 /nfs/dbraw/zinc/41/39/53/1000413953.db2.gz DQQDZZIDPQGMFG-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)cc2)CC1 ZINC000846937007 1000483509 /nfs/dbraw/zinc/48/35/09/1000483509.db2.gz QBSTYDYNDPWFQA-OAQYLSRUSA-N 1 0 373.541 2.598 20 10 FFCDRO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)CC1 ZINC000769536571 1000544631 /nfs/dbraw/zinc/54/46/31/1000544631.db2.gz BQTZKURZIRRQCK-UHFFFAOYSA-N 1 0 362.537 2.882 20 10 FFCDRO Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(N3CC[NH+](C)CC3)cc1)N2 ZINC000771518742 1001135498 /nfs/dbraw/zinc/13/54/98/1001135498.db2.gz VRXZMCHRHARRNV-FQEVSTJZSA-N 1 0 350.466 2.943 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1O ZINC000787240688 1001679410 /nfs/dbraw/zinc/67/94/10/1001679410.db2.gz QVHFVFANUXBKCO-GXTWGEPZSA-N 1 0 357.406 2.715 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)c1O ZINC000787240694 1001679616 /nfs/dbraw/zinc/67/96/16/1001679616.db2.gz QVHFVFANUXBKCO-OCCSQVGLSA-N 1 0 357.406 2.715 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000787997037 1001741861 /nfs/dbraw/zinc/74/18/61/1001741861.db2.gz VSCYFLAWBDCFED-NRSPTQNISA-N 1 0 371.525 2.648 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC001182424638 1001833987 /nfs/dbraw/zinc/83/39/87/1001833987.db2.gz VLCCSYPMWYIJKW-INIZCTEOSA-N 1 0 364.555 2.939 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c1O ZINC001184087719 1002488103 /nfs/dbraw/zinc/48/81/03/1002488103.db2.gz GFRVCIILEWGSJH-FQEVSTJZSA-N 1 0 364.486 2.806 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c(O)c1 ZINC000791003272 1002540520 /nfs/dbraw/zinc/54/05/20/1002540520.db2.gz XFQMRGZDRLLLMS-SFHVURJKSA-N 1 0 358.413 2.821 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CCC4(C[NH+](C)C4)C3)c2C)cc1 ZINC000791249995 1002623233 /nfs/dbraw/zinc/62/32/33/1002623233.db2.gz PLCHETWOSGJDPE-UHFFFAOYSA-N 1 0 353.466 2.880 20 10 FFCDRO COc1c(O)c(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000775011574 1003292888 /nfs/dbraw/zinc/29/28/88/1003292888.db2.gz LLPAJJGOMYDPGL-OAHLLOKOSA-N 1 0 371.393 2.594 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)NC(=O)OC(C)(C)C ZINC000793216287 1003308724 /nfs/dbraw/zinc/30/87/24/1003308724.db2.gz XHSOFXZEUJWZJZ-AWEZNQCLSA-N 1 0 367.465 2.665 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H](C)O1 ZINC000867152766 1003652545 /nfs/dbraw/zinc/65/25/45/1003652545.db2.gz PSBFYSSEAOMUBY-CBGDNZLLSA-N 1 0 371.525 2.648 20 10 FFCDRO Cc1cccc(N(C(=O)c2ccc(O)c(O)c2Cl)C2CC[NH2+]CC2)n1 ZINC001193232987 1004412434 /nfs/dbraw/zinc/41/24/34/1004412434.db2.gz TTWSQFARGZSWJD-UHFFFAOYSA-N 1 0 361.829 2.853 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775831053 1004527882 /nfs/dbraw/zinc/52/78/82/1004527882.db2.gz OMFWDMNSDBOLLV-YOEHRIQHSA-N 1 0 359.426 2.751 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000775834610 1004569535 /nfs/dbraw/zinc/56/95/35/1004569535.db2.gz BFTOKTCHFGUQEZ-OAHLLOKOSA-N 1 0 368.481 2.744 20 10 FFCDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834334 1004569687 /nfs/dbraw/zinc/56/96/87/1004569687.db2.gz RRQZMXHBLDZIHG-OXQOHEQNSA-N 1 0 358.482 2.990 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000807400415 1004586140 /nfs/dbraw/zinc/58/61/40/1004586140.db2.gz BDRXUFIAAFMVKB-KUHUBIRLSA-N 1 0 357.454 2.891 20 10 FFCDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cccc(OC)c1O)c1ccco1 ZINC000807440339 1004602170 /nfs/dbraw/zinc/60/21/70/1004602170.db2.gz ILQOSSRHNHJZDS-HIFRSBDPSA-N 1 0 361.442 2.922 20 10 FFCDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(O)c2O)[NH+](C)C)cc1 ZINC000807827113 1004702768 /nfs/dbraw/zinc/70/27/68/1004702768.db2.gz AZKARXGIXHRHEL-QGZVFWFLSA-N 1 0 358.438 2.918 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)n1-c1ccccc1C ZINC000808161433 1004765964 /nfs/dbraw/zinc/76/59/64/1004765964.db2.gz YHVFGKVUBPCRFQ-RTBURBONSA-N 1 0 367.493 2.684 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000775618071 1004835233 /nfs/dbraw/zinc/83/52/33/1004835233.db2.gz PGWXXBKPKHXMKF-IAGOWNOFSA-N 1 0 359.514 2.758 20 10 FFCDRO C[Si](C)(C)CCS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001195100460 1004892059 /nfs/dbraw/zinc/89/20/59/1004892059.db2.gz JBVYTHWVQAWKTF-UHFFFAOYSA-N 1 0 370.591 2.614 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2F)CC1 ZINC000121410645 1005024742 /nfs/dbraw/zinc/02/47/42/1005024742.db2.gz FPVLXWDQYKDHQY-VDGAXYAQSA-N 1 0 360.473 2.834 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000776292396 1005350633 /nfs/dbraw/zinc/35/06/33/1005350633.db2.gz HNWYDOTZCGCZGN-QZTJIDSGSA-N 1 0 359.514 2.760 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccncc3)C2)cc1 ZINC000850345679 1005808905 /nfs/dbraw/zinc/80/89/05/1005808905.db2.gz HSYANOYUDKHBOW-GOSISDBHSA-N 1 0 363.465 2.859 20 10 FFCDRO CCOC(=O)NC1CCC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000850486765 1005818146 /nfs/dbraw/zinc/81/81/46/1005818146.db2.gz JXYKMJXBVMFEQJ-OFLPRAFFSA-N 1 0 361.486 2.921 20 10 FFCDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000850568313 1005822937 /nfs/dbraw/zinc/82/29/37/1005822937.db2.gz VIABZNHHHMRUSL-SFHVURJKSA-N 1 0 368.477 2.750 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000851656511 1005903854 /nfs/dbraw/zinc/90/38/54/1005903854.db2.gz LMSWNCSQLUJCGZ-HXUWFJFHSA-N 1 0 368.525 2.984 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000851662793 1005904578 /nfs/dbraw/zinc/90/45/78/1005904578.db2.gz JWQHLFTVWHEOJR-NRFANRHFSA-N 1 0 366.509 2.770 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3cccc(N)c3)CC2)cc(OC)c1OC ZINC000851936055 1005924245 /nfs/dbraw/zinc/92/42/45/1005924245.db2.gz IEKVQAMSTCOBIF-UHFFFAOYSA-N 1 0 357.454 2.617 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000813823327 1006044801 /nfs/dbraw/zinc/04/48/01/1006044801.db2.gz HHHOPQJTHXLFGS-TZCIALRTSA-N 1 0 352.434 2.890 20 10 FFCDRO COc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000852792518 1006185912 /nfs/dbraw/zinc/18/59/12/1006185912.db2.gz XZTVZQOIJRBVSH-ZCNNSNEGSA-N 1 0 353.466 2.681 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000852892036 1006224070 /nfs/dbraw/zinc/22/40/70/1006224070.db2.gz AAWPEFZKUVRXMZ-INIZCTEOSA-N 1 0 365.477 2.597 20 10 FFCDRO C[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850082 1006241726 /nfs/dbraw/zinc/24/17/26/1006241726.db2.gz MVLXGKCQORGKAM-MRXNPFEDSA-N 1 0 371.456 2.661 20 10 FFCDRO CC(C)C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)n1ccnc1 ZINC000881855146 1006244229 /nfs/dbraw/zinc/24/42/29/1006244229.db2.gz PTBHULIZJRLKFZ-HXUWFJFHSA-N 1 0 369.513 2.539 20 10 FFCDRO CC(C)Oc1ccc(CCNC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000111235581 1006363085 /nfs/dbraw/zinc/36/30/85/1006363085.db2.gz NIHJJWYHQVNXCV-UHFFFAOYSA-N 1 0 356.466 2.970 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000853530047 1006431064 /nfs/dbraw/zinc/43/10/64/1006431064.db2.gz XFOIBINUCBMQCT-KDURUIRLSA-N 1 0 364.445 2.626 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CC[C@H]2C[C@H]2C1 ZINC000853942374 1006594433 /nfs/dbraw/zinc/59/44/33/1006594433.db2.gz CUXYXSGAFJKPHC-PMACEKPBSA-N 1 0 368.525 2.770 20 10 FFCDRO CCOC(=O)c1c(CN2C[C@H]([NH3+])CC(F)(F)C2)c2ccccc2n1C ZINC001206138356 1032156785 /nfs/dbraw/zinc/15/67/85/1032156785.db2.gz BDESZWWYSXYYIE-GFCCVEGCSA-N 1 0 351.397 2.523 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000883370655 1006768935 /nfs/dbraw/zinc/76/89/35/1006768935.db2.gz PLGIIVMGNJSFOP-FPOVZHCZSA-N 1 0 374.573 2.590 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CC4(CC4)C3)CC2)cc1 ZINC000854308865 1006770309 /nfs/dbraw/zinc/77/03/09/1006770309.db2.gz CSZFBIYIUIPWBJ-UHFFFAOYSA-N 1 0 357.498 2.514 20 10 FFCDRO C[C@@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000883627814 1006915292 /nfs/dbraw/zinc/91/52/92/1006915292.db2.gz PNUKGNPIFMKEBS-MRXNPFEDSA-N 1 0 374.529 2.756 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1C ZINC000748051703 1006940241 /nfs/dbraw/zinc/94/02/41/1006940241.db2.gz WNOQQHXFFQWKAH-IRXDYDNUSA-N 1 0 373.541 2.631 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000775259167 1007133655 /nfs/dbraw/zinc/13/36/55/1007133655.db2.gz GCSBELAZTXOLNX-AWEZNQCLSA-N 1 0 374.872 2.861 20 10 FFCDRO C[NH2+]CCOc1ccccc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000884386181 1007407041 /nfs/dbraw/zinc/40/70/41/1007407041.db2.gz HPVFHUPRYFBINQ-UHFFFAOYSA-N 1 0 371.481 2.502 20 10 FFCDRO COc1ccc(C2([NH2+]CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000775410256 1007773767 /nfs/dbraw/zinc/77/37/67/1007773767.db2.gz IHRGPEWWESQFHF-UHFFFAOYSA-N 1 0 367.493 2.999 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C1 ZINC000817888154 1007784710 /nfs/dbraw/zinc/78/47/10/1007784710.db2.gz BZYRKDACVCGZJM-MAODMQOUSA-N 1 0 364.493 2.623 20 10 FFCDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817887753 1007785384 /nfs/dbraw/zinc/78/53/84/1007785384.db2.gz DLSZPSUVHMHJJZ-OXJNMPFZSA-N 1 0 357.473 2.710 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000817942713 1007820029 /nfs/dbraw/zinc/82/00/29/1007820029.db2.gz QKTBVOVRJPAVNS-FOIQADDNSA-N 1 0 350.470 2.684 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817944227 1007820374 /nfs/dbraw/zinc/82/03/74/1007820374.db2.gz YDWYUZSXYJIZIN-FGTMMUONSA-N 1 0 372.473 2.631 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000114590256 1007969383 /nfs/dbraw/zinc/96/93/83/1007969383.db2.gz KVGJAJSOHTZFON-KRWDZBQOSA-N 1 0 361.417 2.642 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(OC)ccc1O)c1ccco1 ZINC000114592458 1007970501 /nfs/dbraw/zinc/97/05/01/1007970501.db2.gz CEPAHSXRMHBTEZ-INIZCTEOSA-N 1 0 361.442 2.876 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1F ZINC000818965929 1007979501 /nfs/dbraw/zinc/97/95/01/1007979501.db2.gz DHVGHHIAIXAVPA-IBGZPJMESA-N 1 0 366.383 2.764 20 10 FFCDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000818963846 1007980548 /nfs/dbraw/zinc/98/05/48/1007980548.db2.gz BZZCGXJODCLHOR-LJQANCHMSA-N 1 0 373.478 2.971 20 10 FFCDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819165211 1008054567 /nfs/dbraw/zinc/05/45/67/1008054567.db2.gz QIFWSFDNWLDTND-HOTGVXAUSA-N 1 0 373.497 2.913 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819379099 1008127226 /nfs/dbraw/zinc/12/72/26/1008127226.db2.gz CCXATHASJHHAAT-MGPUTAFESA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000819380372 1008128213 /nfs/dbraw/zinc/12/82/13/1008128213.db2.gz POLXNYXCFDZERD-SJLPKXTDSA-N 1 0 374.456 2.690 20 10 FFCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000819760914 1008232230 /nfs/dbraw/zinc/23/22/30/1008232230.db2.gz JMDGJLIAGLMDKK-OAHLLOKOSA-N 1 0 359.466 2.941 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000858133823 1008307795 /nfs/dbraw/zinc/30/77/95/1008307795.db2.gz ZIJQNJNKKFXNQZ-UHFFFAOYSA-N 1 0 353.466 2.948 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000858298377 1008341753 /nfs/dbraw/zinc/34/17/53/1008341753.db2.gz LDAYVDGKJHJJBJ-JOCHJYFZSA-N 1 0 353.510 2.869 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1O ZINC000858527633 1008375271 /nfs/dbraw/zinc/37/52/71/1008375271.db2.gz UCUXLFDRBHFSCY-ZIAGYGMSSA-N 1 0 366.458 2.687 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000858676554 1008401763 /nfs/dbraw/zinc/40/17/63/1008401763.db2.gz ICKZVUZFLZNJHN-SFHVURJKSA-N 1 0 353.466 2.517 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000858766573 1008419378 /nfs/dbraw/zinc/41/93/78/1008419378.db2.gz OXEFHSRFABWYJI-SFHVURJKSA-N 1 0 351.450 2.873 20 10 FFCDRO CCOC(=O)c1c(C)n[nH]c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391751 1008451732 /nfs/dbraw/zinc/45/17/32/1008451732.db2.gz QYJTZUVLZIFDRL-INIZCTEOSA-N 1 0 373.453 2.782 20 10 FFCDRO COCCN(CC[NH+](C)C)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000859226617 1008490425 /nfs/dbraw/zinc/49/04/25/1008490425.db2.gz SEWQCNOCUFGZEP-UHFFFAOYSA-N 1 0 371.481 2.557 20 10 FFCDRO CCO[C@H](C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C1CC1 ZINC000859253577 1008493124 /nfs/dbraw/zinc/49/31/24/1008493124.db2.gz ZEAUUAUOVWICQN-LJQANCHMSA-N 1 0 364.486 2.650 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)CC1 ZINC000886324892 1008636933 /nfs/dbraw/zinc/63/69/33/1008636933.db2.gz KVIQDMCWRAVVEE-UHFFFAOYSA-N 1 0 370.522 2.623 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1F ZINC000886325128 1008636956 /nfs/dbraw/zinc/63/69/56/1008636956.db2.gz VRFQFXCYKAXZJZ-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000822582301 1008666707 /nfs/dbraw/zinc/66/67/07/1008666707.db2.gz BBYAZSNTGBECCG-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ncccc43)cc2)CC1 ZINC000886751663 1008861298 /nfs/dbraw/zinc/86/12/98/1008861298.db2.gz XZUUACBZDAOOHS-OAQYLSRUSA-N 1 0 364.493 2.951 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCCCC[N@H+](C)C3CC3)C2)cc1 ZINC000823688914 1009173464 /nfs/dbraw/zinc/17/34/64/1009173464.db2.gz WZTPILRHDLFWPL-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001179712395 1009419675 /nfs/dbraw/zinc/41/96/75/1009419675.db2.gz GQMRPMLFKQDZLZ-NRFANRHFSA-N 1 0 373.497 2.948 20 10 FFCDRO C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(N(C)C)cc1 ZINC000861621066 1009488243 /nfs/dbraw/zinc/48/82/43/1009488243.db2.gz WIJGTLOGDHFNKB-JXFKEZNVSA-N 1 0 374.529 2.614 20 10 FFCDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000777222298 1009601813 /nfs/dbraw/zinc/60/18/13/1009601813.db2.gz LKALVPDILNDJPL-KBPBESRZSA-N 1 0 366.458 2.756 20 10 FFCDRO CN(C)c1cc(F)c(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1F ZINC000862367673 1009812061 /nfs/dbraw/zinc/81/20/61/1009812061.db2.gz QZHNLBGLWWJHAQ-KRWDZBQOSA-N 1 0 366.500 2.631 20 10 FFCDRO CN1C[C@@H]([N@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1=O ZINC000862428418 1009841427 /nfs/dbraw/zinc/84/14/27/1009841427.db2.gz PZSZVIPLMUGUGL-INIZCTEOSA-N 1 0 360.458 2.638 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476714 1009853343 /nfs/dbraw/zinc/85/33/43/1009853343.db2.gz XZYPFRPFAAUDKN-AWEZNQCLSA-N 1 0 356.422 2.994 20 10 FFCDRO CCN(Cc1ccoc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670453 1010048927 /nfs/dbraw/zinc/04/89/27/1010048927.db2.gz QFLRLJBWLFLZEZ-UHFFFAOYSA-N 1 0 356.470 2.763 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(Cl)cc2O)cc1O ZINC001181504922 1010123099 /nfs/dbraw/zinc/12/30/99/1010123099.db2.gz ATWCBRQAOAIOSU-ZDUSSCGKSA-N 1 0 351.830 2.701 20 10 FFCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CC[C@H]3CC=CCC3)CC2)cc1 ZINC000863578605 1010262449 /nfs/dbraw/zinc/26/24/49/1010262449.db2.gz PWHFEHPVBOEGED-PZJWPPBQSA-N 1 0 373.541 2.514 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)SC)C[C@H]2C)cc1C ZINC001093644836 1010441906 /nfs/dbraw/zinc/44/19/06/1010441906.db2.gz OTHDCOFKBYNPHE-BFYDXBDKSA-N 1 0 350.528 2.939 20 10 FFCDRO C[NH+](C)C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000120073736 1010482530 /nfs/dbraw/zinc/48/25/30/1010482530.db2.gz SPHYQLSXUVBDBK-AWEZNQCLSA-N 1 0 367.440 2.857 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000794707640 1010552827 /nfs/dbraw/zinc/55/28/27/1010552827.db2.gz VYIMUHJTNACLGC-QKKBWIMNSA-N 1 0 371.433 2.712 20 10 FFCDRO CCc1n[nH]cc1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001093884005 1010658306 /nfs/dbraw/zinc/65/83/06/1010658306.db2.gz JXALRCHIALPAAC-NVXWUHKLSA-N 1 0 370.497 2.787 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccncc3)cc2F)CC1 ZINC000865201571 1010746450 /nfs/dbraw/zinc/74/64/50/1010746450.db2.gz HURQCERIWCKYPI-INIZCTEOSA-N 1 0 370.472 2.783 20 10 FFCDRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120871084 1010909376 /nfs/dbraw/zinc/90/93/76/1010909376.db2.gz RWYJJBSNUGKSDT-CEXWTWQISA-N 1 0 373.541 2.848 20 10 FFCDRO C[NH+]1CCN(c2ccccc2NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000866100053 1010929280 /nfs/dbraw/zinc/92/92/80/1010929280.db2.gz FRDOUBNWYPZZPI-UHFFFAOYSA-N 1 0 352.438 2.692 20 10 FFCDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000866237817 1010959155 /nfs/dbraw/zinc/95/91/55/1010959155.db2.gz KDURELSMIRHCTQ-YLJYHZDGSA-N 1 0 366.509 2.894 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1O ZINC000868062383 1011157137 /nfs/dbraw/zinc/15/71/37/1011157137.db2.gz LTMJFTCQFQGWNX-OAHLLOKOSA-N 1 0 354.454 2.812 20 10 FFCDRO C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccccc1O ZINC000868086935 1011162086 /nfs/dbraw/zinc/16/20/86/1011162086.db2.gz IVDDGTXRDSWLLX-HNNXBMFYSA-N 1 0 357.454 2.893 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001274272944 1011348165 /nfs/dbraw/zinc/34/81/65/1011348165.db2.gz IRKCGMNVMIEEFD-UHFFFAOYSA-N 1 0 358.482 2.897 20 10 FFCDRO O=C(C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(O)c(O)c1 ZINC001171517909 1011365618 /nfs/dbraw/zinc/36/56/18/1011365618.db2.gz QAIKUTIUKBIQFQ-NSHDSACASA-N 1 0 351.324 2.845 20 10 FFCDRO Cc1noc(C)c1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000122699435 1011869695 /nfs/dbraw/zinc/86/96/95/1011869695.db2.gz ACDVVIYYRBPBGP-UHFFFAOYSA-N 1 0 368.481 2.753 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C2CCN(CC(=O)OC(C)(C)C)CC2)cc1 ZINC001172894655 1012094766 /nfs/dbraw/zinc/09/47/66/1012094766.db2.gz VKJAGCCZXSIVHN-UHFFFAOYSA-N 1 0 361.530 2.991 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)CC2 ZINC001172895374 1012097767 /nfs/dbraw/zinc/09/77/67/1012097767.db2.gz CCKQCOOROGOXME-BEFAXECRSA-N 1 0 358.394 2.577 20 10 FFCDRO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001275238535 1012121722 /nfs/dbraw/zinc/12/17/22/1012121722.db2.gz KIBSVIHYRMLKIQ-QGZVFWFLSA-N 1 0 360.498 2.844 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CCC(=O)N(CC(F)F)C3)CC2)c1O ZINC001275244081 1012132972 /nfs/dbraw/zinc/13/29/72/1012132972.db2.gz AIPCGAZNJXYBOW-UHFFFAOYSA-N 1 0 368.424 2.871 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001275248657 1012138920 /nfs/dbraw/zinc/13/89/20/1012138920.db2.gz QCDXFICJPAATJP-CYBMUJFWSA-N 1 0 364.873 2.838 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173051017 1012210129 /nfs/dbraw/zinc/21/01/29/1012210129.db2.gz MZSRIDOCJGWPNC-HACGYAERSA-N 1 0 366.458 2.509 20 10 FFCDRO COc1cccc2c1C[C@H]([NH2+]C1CCN(Cc3ccccc3O)CC1)CO2 ZINC001173150548 1012295444 /nfs/dbraw/zinc/29/54/44/1012295444.db2.gz MRTYFOOIFROIQD-SFHVURJKSA-N 1 0 368.477 2.959 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275385732 1012403633 /nfs/dbraw/zinc/40/36/33/1012403633.db2.gz LHOSJFOTDQAIAG-IIBYNOLFSA-N 1 0 358.482 2.883 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)F)CC2)cc1 ZINC001275598244 1012674985 /nfs/dbraw/zinc/67/49/85/1012674985.db2.gz ONOCBTWBPBETLT-MRXNPFEDSA-N 1 0 351.441 2.736 20 10 FFCDRO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001275675655 1012827066 /nfs/dbraw/zinc/82/70/66/1012827066.db2.gz HWVOGJLGPBFKPC-ZFWWWQNUSA-N 1 0 362.470 2.623 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)cc1 ZINC000828353797 1032677980 /nfs/dbraw/zinc/67/79/80/1032677980.db2.gz XIWWAHGRAZWLHK-FAQHILDVSA-N 1 0 371.525 2.934 20 10 FFCDRO COc1cc([C@@H](C)[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)on1 ZINC000924579194 1017362465 /nfs/dbraw/zinc/36/24/65/1017362465.db2.gz GYWASKARYZMTGS-MRXNPFEDSA-N 1 0 374.485 2.555 20 10 FFCDRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000924704703 1017435459 /nfs/dbraw/zinc/43/54/59/1017435459.db2.gz HKQRWBRXXSFPPT-MRXNPFEDSA-N 1 0 374.403 2.783 20 10 FFCDRO COC(=O)N(C)CC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000827335615 1017654084 /nfs/dbraw/zinc/65/40/84/1017654084.db2.gz SHQOMDAMHUPUOY-UHFFFAOYSA-N 1 0 364.446 2.715 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2F)C[C@H](C)O1 ZINC000827363934 1017772562 /nfs/dbraw/zinc/77/25/62/1017772562.db2.gz AHORWHMGOUJMAQ-GJZGRUSLSA-N 1 0 363.477 2.575 20 10 FFCDRO C[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000827725689 1018628932 /nfs/dbraw/zinc/62/89/32/1018628932.db2.gz LMXKAEHCZSHGSM-KKSFZXQISA-N 1 0 365.477 2.587 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000827907617 1018950049 /nfs/dbraw/zinc/95/00/49/1018950049.db2.gz DTLQWWYPCYGUSL-UHFFFAOYSA-N 1 0 363.458 2.558 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902066520 1019778087 /nfs/dbraw/zinc/77/80/87/1019778087.db2.gz ZMAPBBGIYAOWOR-AZUAARDMSA-N 1 0 359.514 2.948 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000390700990 1019870352 /nfs/dbraw/zinc/87/03/52/1019870352.db2.gz DUKJHLDJOKZXOJ-QGZVFWFLSA-N 1 0 362.470 2.737 20 10 FFCDRO COC(=O)c1c(CN2CCC[C@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222271568 1032860078 /nfs/dbraw/zinc/86/00/78/1032860078.db2.gz HYUBJLHUFONCIH-NRFANRHFSA-N 1 0 355.482 2.931 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900293142 1020337759 /nfs/dbraw/zinc/33/77/59/1020337759.db2.gz WLPQUXJCDRMDTO-UHFFFAOYSA-N 1 0 357.502 2.562 20 10 FFCDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000800477050 1020345151 /nfs/dbraw/zinc/34/51/51/1020345151.db2.gz QNLPQHWIFUFUET-NSHGMRRFSA-N 1 0 359.514 2.683 20 10 FFCDRO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902662311 1020383480 /nfs/dbraw/zinc/38/34/80/1020383480.db2.gz NVVNVWBPPMAEDQ-IBGZPJMESA-N 1 0 351.406 2.840 20 10 FFCDRO CC(C)[NH+](Cc1cn(Cc2ccc(N3CCOCC3)cc2)nn1)C(C)C ZINC000900606004 1020540076 /nfs/dbraw/zinc/54/00/76/1020540076.db2.gz WBCJBADHXLEFBK-UHFFFAOYSA-N 1 0 357.502 2.782 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000903390315 1020818464 /nfs/dbraw/zinc/81/84/64/1020818464.db2.gz UQAUNPHDMZMEAE-KXBFYZLASA-N 1 0 364.461 2.651 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000749198141 1020868431 /nfs/dbraw/zinc/86/84/31/1020868431.db2.gz CNBQVPNVQFFJCE-ZWKOTPCHSA-N 1 0 374.529 2.567 20 10 FFCDRO C[C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000829003329 1032940692 /nfs/dbraw/zinc/94/06/92/1032940692.db2.gz MVLWDHHHIKYDBB-VQIMIIECSA-N 1 0 360.498 2.926 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@@H]3CCC[NH2+]CC3)c21 ZINC001217998742 1032941580 /nfs/dbraw/zinc/94/15/80/1032941580.db2.gz CSNRDQJUGVQHCH-GFCCVEGCSA-N 1 0 366.373 2.891 20 10 FFCDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000933284943 1020990185 /nfs/dbraw/zinc/99/01/85/1020990185.db2.gz MJOSFRGXXCFGBW-IBGZPJMESA-N 1 0 359.514 2.696 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](CCO)Cc3ccccc3)cc2F)CC1 ZINC001116438607 1021218277 /nfs/dbraw/zinc/21/82/77/1021218277.db2.gz JIRWBPOKHVDVMM-UHFFFAOYSA-N 1 0 357.473 2.572 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(C)(C)C)[C@@H](O)C3)cc2F)CC1 ZINC001116502389 1021250599 /nfs/dbraw/zinc/25/05/99/1021250599.db2.gz UVNYUMLBKKFQSY-XLIONFOSSA-N 1 0 363.521 2.806 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218068772 1032978154 /nfs/dbraw/zinc/97/81/54/1032978154.db2.gz FXJVVRIEIRGEMN-UKRRQHHQSA-N 1 0 355.365 2.555 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1O ZINC001116827334 1021440132 /nfs/dbraw/zinc/44/01/32/1021440132.db2.gz XNFCMSJRJAUGSK-AWEZNQCLSA-N 1 0 372.303 2.978 20 10 FFCDRO COc1ccc(O)c(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000934942148 1021479041 /nfs/dbraw/zinc/47/90/41/1021479041.db2.gz JUYUNBIIXQRONF-UHFFFAOYSA-N 1 0 372.465 2.590 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c1 ZINC001218111993 1033003927 /nfs/dbraw/zinc/00/39/27/1033003927.db2.gz YWAQPVDNMPNFBY-RNPCHFAHSA-N 1 0 352.442 2.598 20 10 FFCDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000780480843 1022467252 /nfs/dbraw/zinc/46/72/52/1022467252.db2.gz QXSLVSLOELNUDZ-HNNXBMFYSA-N 1 0 364.530 2.975 20 10 FFCDRO CNC(=O)CCOC1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000751952090 1022992798 /nfs/dbraw/zinc/99/27/98/1022992798.db2.gz BHHUGSQODPJWGU-UHFFFAOYSA-N 1 0 372.465 2.671 20 10 FFCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC001120584726 1023371475 /nfs/dbraw/zinc/37/14/75/1023371475.db2.gz SRKYWKNZACOAAP-AZUAARDMSA-N 1 0 350.466 2.685 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cc1F ZINC000753739168 1023373478 /nfs/dbraw/zinc/37/34/78/1023373478.db2.gz QXLAUVNMVWGRGI-MRXNPFEDSA-N 1 0 363.477 2.747 20 10 FFCDRO CCC[N@H+](CC(C)C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754012220 1023415432 /nfs/dbraw/zinc/41/54/32/1023415432.db2.gz IGNCOBHKWYQSHN-FQEVSTJZSA-N 1 0 363.546 2.546 20 10 FFCDRO C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137855234 1033221257 /nfs/dbraw/zinc/22/12/57/1033221257.db2.gz QWIZCEVPUDEUSH-MAUKXSAKSA-N 1 0 354.450 2.667 20 10 FFCDRO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141158933 1025541216 /nfs/dbraw/zinc/54/12/16/1025541216.db2.gz SCCULKFGMMFTJG-BJLQDIEVSA-N 1 0 367.449 2.639 20 10 FFCDRO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000837369062 1025751257 /nfs/dbraw/zinc/75/12/57/1025751257.db2.gz QMQWTYNUJQTQQO-QGZVFWFLSA-N 1 0 371.525 2.965 20 10 FFCDRO C[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000837882104 1026083264 /nfs/dbraw/zinc/08/32/64/1026083264.db2.gz JHBKDUKMGSFHKP-MSOLQXFVSA-N 1 0 374.529 2.615 20 10 FFCDRO C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000837882106 1026084369 /nfs/dbraw/zinc/08/43/69/1026084369.db2.gz JHBKDUKMGSFHKP-ROUUACIJSA-N 1 0 374.529 2.615 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC000246516754 1026221801 /nfs/dbraw/zinc/22/18/01/1026221801.db2.gz UMWUVALDVKEYCW-QFBILLFUSA-N 1 0 358.530 2.941 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(C(C)C)CC3)cc2F)CC1 ZINC000838338898 1026321694 /nfs/dbraw/zinc/32/16/94/1026321694.db2.gz WPGJUEHXARKJJP-UHFFFAOYSA-N 1 0 362.493 2.955 20 10 FFCDRO OC[C@@]1(O)CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839155996 1026607286 /nfs/dbraw/zinc/60/72/86/1026607286.db2.gz KOWSUFFVTIKCML-JOCHJYFZSA-N 1 0 352.478 2.569 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC000839562689 1026734894 /nfs/dbraw/zinc/73/48/94/1026734894.db2.gz ANSNFBDINRFHEV-CQSZACIVSA-N 1 0 354.454 2.531 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2cnoc2)C1 ZINC000640714394 1026901258 /nfs/dbraw/zinc/90/12/58/1026901258.db2.gz WGFQOZWNWXOSGJ-UHFFFAOYSA-N 1 0 366.465 2.755 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)Oc2ccccc21 ZINC000840178046 1026999125 /nfs/dbraw/zinc/99/91/25/1026999125.db2.gz PPACESCTXZBTLC-HXUWFJFHSA-N 1 0 353.374 2.731 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000092010857 1027196947 /nfs/dbraw/zinc/19/69/47/1027196947.db2.gz UTDUYJZXPRFNPB-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO CCOCCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126192 1027224705 /nfs/dbraw/zinc/22/47/05/1027224705.db2.gz LKKROKAVBRWDSH-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO CCOc1cccc(CN2CCN(C(=O)Cc3ccccc3C)CC2)c1O ZINC000092733378 1027428795 /nfs/dbraw/zinc/42/87/95/1027428795.db2.gz OAMKMTDOOORZGX-UHFFFAOYSA-N 1 0 368.477 2.986 20 10 FFCDRO Cc1nc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)sc1C ZINC000093688910 1027799520 /nfs/dbraw/zinc/79/95/20/1027799520.db2.gz DXMRFYZUBWLOGZ-UHFFFAOYSA-N 1 0 372.538 2.919 20 10 FFCDRO CCCc1cc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n2ncnc2n1 ZINC001164318749 1029243899 /nfs/dbraw/zinc/24/38/99/1029243899.db2.gz YBXTZYRRSBQPSB-GOSISDBHSA-N 1 0 367.501 2.858 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3c[nH]cc4ncnc3-4)CC2)cc1 ZINC001164334413 1029250104 /nfs/dbraw/zinc/25/01/04/1029250104.db2.gz STORPYJUPSQMQZ-UHFFFAOYSA-N 1 0 366.469 2.591 20 10 FFCDRO O=C(Cc1cncs1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000782563193 1029746120 /nfs/dbraw/zinc/74/61/20/1029746120.db2.gz VMFVQHZYZPTXJF-UHFFFAOYSA-N 1 0 370.522 2.534 20 10 FFCDRO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000782872015 1029841487 /nfs/dbraw/zinc/84/14/87/1029841487.db2.gz PZEBOLACGVLILD-INIZCTEOSA-N 1 0 357.498 2.575 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN(Cc2ccccn2)C1=O ZINC000840936915 1029933750 /nfs/dbraw/zinc/93/37/50/1029933750.db2.gz OERKVTGIHHXXMS-FQEVSTJZSA-N 1 0 352.482 2.737 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1OC ZINC000840960690 1029944839 /nfs/dbraw/zinc/94/48/39/1029944839.db2.gz LNVOJBSRDDHSRQ-HNNXBMFYSA-N 1 0 360.410 2.620 20 10 FFCDRO COc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000841044889 1029997675 /nfs/dbraw/zinc/99/76/75/1029997675.db2.gz ZQBWRYDKTLFXIT-KRWDZBQOSA-N 1 0 359.470 2.568 20 10 FFCDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841094991 1030031817 /nfs/dbraw/zinc/03/18/17/1030031817.db2.gz ZXCAZBICIQJSGU-HNNXBMFYSA-N 1 0 368.481 2.678 20 10 FFCDRO C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)c1ccc(N(C)C)cc1 ZINC000841094193 1030033725 /nfs/dbraw/zinc/03/37/25/1030033725.db2.gz QGIBYJOENQRQEL-UONOGXRCSA-N 1 0 354.454 2.588 20 10 FFCDRO Fc1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)ccc1N1CCOCC1 ZINC000841101563 1030036656 /nfs/dbraw/zinc/03/66/56/1030036656.db2.gz VVAJTNHRVDOKRK-NRFANRHFSA-N 1 0 355.457 2.809 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000841102531 1030038544 /nfs/dbraw/zinc/03/85/44/1030038544.db2.gz NYEGDZIWXVZACE-UHFFFAOYSA-N 1 0 369.465 2.879 20 10 FFCDRO Cc1ccc(NC(=O)NCCc2ccc(N)cc2)c(OCC[NH+](C)C)c1 ZINC000841121169 1030055996 /nfs/dbraw/zinc/05/59/96/1030055996.db2.gz QFUYXQRXAJLFME-UHFFFAOYSA-N 1 0 356.470 2.882 20 10 FFCDRO COCC[N@H+](C)CCOc1cccc(CNC(=O)Nc2ccc(N)cc2)c1 ZINC000841301152 1030170481 /nfs/dbraw/zinc/17/04/81/1030170481.db2.gz CKIJOMAQNMDLIF-UHFFFAOYSA-N 1 0 372.469 2.548 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000841720451 1030426768 /nfs/dbraw/zinc/42/67/68/1030426768.db2.gz KMHWBJPGZAHYIP-MRXNPFEDSA-N 1 0 372.517 2.572 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000841793553 1030470276 /nfs/dbraw/zinc/47/02/76/1030470276.db2.gz NBJYSCPKABSUON-ICSRJNTNSA-N 1 0 356.514 2.816 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000841821185 1030488223 /nfs/dbraw/zinc/48/82/23/1030488223.db2.gz CRRVGZIBALIZRR-HXUWFJFHSA-N 1 0 352.482 2.775 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841832814 1030493587 /nfs/dbraw/zinc/49/35/87/1030493587.db2.gz ULVHXKJNYDZHTF-PMACEKPBSA-N 1 0 368.525 2.984 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000841855944 1030506260 /nfs/dbraw/zinc/50/62/60/1030506260.db2.gz KALUJZROOURMCU-CVEARBPZSA-N 1 0 370.522 2.778 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000841922740 1030544505 /nfs/dbraw/zinc/54/45/05/1030544505.db2.gz OFKGWWSFDVLOAH-UHFFFAOYSA-N 1 0 360.502 2.579 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000841934766 1030553774 /nfs/dbraw/zinc/55/37/74/1030553774.db2.gz AJNCEGOPZAQYRL-UHFFFAOYSA-N 1 0 356.470 2.889 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000841943315 1030557099 /nfs/dbraw/zinc/55/70/99/1030557099.db2.gz KDOVNMMJBQXLRP-KRWDZBQOSA-N 1 0 356.470 2.809 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])C[C@]12CCN(c1cccnc1)C2=O ZINC001142513123 1030563162 /nfs/dbraw/zinc/56/31/62/1030563162.db2.gz YMGYGYLUNSWDRL-ZUOKHONESA-N 1 0 373.403 2.940 20 10 FFCDRO Cc1ccn(C)c1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000784460292 1030631113 /nfs/dbraw/zinc/63/11/13/1030631113.db2.gz CGJGDYBCWKUXKB-UHFFFAOYSA-N 1 0 366.509 2.796 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001203552176 1030761204 /nfs/dbraw/zinc/76/12/04/1030761204.db2.gz DBEOBJXWFXKUFW-JOCHJYFZSA-N 1 0 367.493 2.902 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001203556467 1030761836 /nfs/dbraw/zinc/76/18/36/1030761836.db2.gz PXNHJEOGCVQFFR-ZDUSSCGKSA-N 1 0 350.216 2.598 20 10 FFCDRO COc1cccc(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)c1O ZINC001203595488 1030778762 /nfs/dbraw/zinc/77/87/62/1030778762.db2.gz DOTXLXRNZFOYEL-UHFFFAOYSA-N 1 0 352.434 2.955 20 10 FFCDRO COc1cccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC001203599570 1030781350 /nfs/dbraw/zinc/78/13/50/1030781350.db2.gz IRRGYUTYTBAKJN-LJQANCHMSA-N 1 0 356.466 2.734 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)c1O ZINC001203609912 1030787599 /nfs/dbraw/zinc/78/75/99/1030787599.db2.gz OPTCMDHBXKYWKA-PGRDOPGGSA-N 1 0 366.461 2.897 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1O ZINC001203617383 1030787931 /nfs/dbraw/zinc/78/79/31/1030787931.db2.gz PFKDLPWGYVIKLX-QGZVFWFLSA-N 1 0 355.438 2.580 20 10 FFCDRO COc1ccc(CN2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203621631 1030788105 /nfs/dbraw/zinc/78/81/05/1030788105.db2.gz XZYYVXCVBDKCHS-INIZCTEOSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)c(O)c1 ZINC001203623775 1030793884 /nfs/dbraw/zinc/79/38/84/1030793884.db2.gz WEWHNXFUOBYNTO-KPFFTGBYSA-N 1 0 356.422 2.607 20 10 FFCDRO Cc1ccnc(N2CCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC001203648442 1030803705 /nfs/dbraw/zinc/80/37/05/1030803705.db2.gz LPUOIBVUHKTMFF-UHFFFAOYSA-N 1 0 363.259 2.575 20 10 FFCDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cc(OC)ccc1O)CC2 ZINC001203673006 1030816364 /nfs/dbraw/zinc/81/63/64/1030816364.db2.gz JMYUCBBFVXQXBY-UHFFFAOYSA-N 1 0 370.497 2.733 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC001203672981 1030817955 /nfs/dbraw/zinc/81/79/55/1030817955.db2.gz IPGOIOLUUVSKCD-UHFFFAOYSA-N 1 0 362.433 2.854 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC001203675518 1030822123 /nfs/dbraw/zinc/82/21/23/1030822123.db2.gz ZRFQIBBIIBEFQC-WIYYLYMNSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(O)cc1C ZINC000842636407 1030862003 /nfs/dbraw/zinc/86/20/03/1030862003.db2.gz YGOUWMIKXVNMLC-KRWDZBQOSA-N 1 0 354.450 2.848 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 ZINC000842723471 1030925856 /nfs/dbraw/zinc/92/58/56/1030925856.db2.gz DSEDIZPFWPPDOC-XFHJGTJQSA-N 1 0 372.490 2.590 20 10 FFCDRO CC[N@@H+](Cc1ccc(O)c(O)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001203883637 1030955989 /nfs/dbraw/zinc/95/59/89/1030955989.db2.gz LDGGXMWOPCXGMN-IBGZPJMESA-N 1 0 356.466 2.821 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203937709 1030996681 /nfs/dbraw/zinc/99/66/81/1030996681.db2.gz NWLLHCVIWYZQRG-UHFFFAOYSA-N 1 0 353.466 2.861 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000843118198 1031192120 /nfs/dbraw/zinc/19/21/20/1031192120.db2.gz CMQHKJYTVRYAMF-UHFFFAOYSA-N 1 0 368.529 2.607 20 10 FFCDRO Oc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001204275149 1031201113 /nfs/dbraw/zinc/20/11/13/1031201113.db2.gz XZAZPHFSIXANOR-LPHOPBHVSA-N 1 0 358.413 2.574 20 10 FFCDRO O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204275405 1031204624 /nfs/dbraw/zinc/20/46/24/1031204624.db2.gz QGDHRKFKBINVHN-UHFFFAOYSA-N 1 0 356.397 2.866 20 10 FFCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339362 1031235221 /nfs/dbraw/zinc/23/52/21/1031235221.db2.gz GXKZEBXHTYYHPK-JTQLQIEISA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)cc(O)c1O ZINC001204341461 1031236581 /nfs/dbraw/zinc/23/65/81/1031236581.db2.gz CTAGPZOZFUXOEJ-IBGZPJMESA-N 1 0 368.433 2.560 20 10 FFCDRO COc1cc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc(O)c1O ZINC001204341821 1031238457 /nfs/dbraw/zinc/23/84/57/1031238457.db2.gz GPLOWMJYPZLSNZ-UHFFFAOYSA-N 1 0 362.470 2.721 20 10 FFCDRO C[NH2+]C[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1 ZINC000843349156 1031340499 /nfs/dbraw/zinc/34/04/99/1031340499.db2.gz JHDLXBPIGKUWMB-INIZCTEOSA-N 1 0 369.465 2.547 20 10 FFCDRO COc1ccc(Cl)cc1CNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349820 1031341499 /nfs/dbraw/zinc/34/14/99/1031341499.db2.gz FCJVGXRQMRGIAN-UHFFFAOYSA-N 1 0 373.884 2.876 20 10 FFCDRO COC[C@@]1(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CCC[NH2+]1 ZINC000843478671 1031421363 /nfs/dbraw/zinc/42/13/63/1031421363.db2.gz VSROAYPOADBNQN-FQEVSTJZSA-N 1 0 359.445 2.732 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000843487225 1031425967 /nfs/dbraw/zinc/42/59/67/1031425967.db2.gz BRBBPFRJHGXWPP-DBXWQHBBSA-N 1 0 359.514 2.634 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000843504790 1031434085 /nfs/dbraw/zinc/43/40/85/1031434085.db2.gz HMYVNCWTDJNNJF-KKSFZXQISA-N 1 0 353.466 2.512 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000799161304 1031674564 /nfs/dbraw/zinc/67/45/64/1031674564.db2.gz ZITUHQQXXMBZGZ-HXUWFJFHSA-N 1 0 358.438 2.732 20 10 FFCDRO CNc1ncccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001150355601 1031702310 /nfs/dbraw/zinc/70/23/10/1031702310.db2.gz YXBMYEOOHKIAML-HNNXBMFYSA-N 1 0 374.872 2.877 20 10 FFCDRO CCO[C@H]1[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@@H]1C ZINC001151082279 1031852112 /nfs/dbraw/zinc/85/21/12/1031852112.db2.gz IMKDLRSFGPYLFS-ZLGUVYLKSA-N 1 0 371.525 2.506 20 10 FFCDRO O=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1c(O)cc2ccccc2c1O ZINC001219122025 1033523289 /nfs/dbraw/zinc/52/32/89/1033523289.db2.gz HDHDSQRLOLUGDX-UHFFFAOYSA-N 1 0 363.417 2.913 20 10 FFCDRO O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665479 1033731845 /nfs/dbraw/zinc/73/18/45/1033731845.db2.gz XWIWRPVIABUKRK-GJZGRUSLSA-N 1 0 367.440 2.763 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000831180156 1033980388 /nfs/dbraw/zinc/98/03/88/1033980388.db2.gz KIMXKXYVMZFGLE-LJQANCHMSA-N 1 0 356.514 2.864 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000831322349 1034036393 /nfs/dbraw/zinc/03/63/93/1034036393.db2.gz VFLKBKCRVIHFRJ-DFQSSKMNSA-N 1 0 359.514 2.504 20 10 FFCDRO COc1cccc([C@H]2[C@@H](NC(=O)Cc3ccc(N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000831528501 1034113083 /nfs/dbraw/zinc/11/30/83/1034113083.db2.gz RJZDKQBTGNURFU-UNMCSNQZSA-N 1 0 365.477 2.914 20 10 FFCDRO O=C1CCCC2(CC[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)CC2)N1 ZINC001138338845 1034168769 /nfs/dbraw/zinc/16/87/69/1034168769.db2.gz RXPSIIJSJLTQMK-UHFFFAOYSA-N 1 0 369.509 2.726 20 10 FFCDRO CCOC(=O)NC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138342623 1034172482 /nfs/dbraw/zinc/17/24/82/1034172482.db2.gz VEGQNJCEIGSRMO-UHFFFAOYSA-N 1 0 373.497 2.802 20 10 FFCDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCC2(C1)OCCO2 ZINC001138341934 1034172668 /nfs/dbraw/zinc/17/26/68/1034172668.db2.gz MPYILUXOLOHTMT-QGZVFWFLSA-N 1 0 358.482 2.818 20 10 FFCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)NC[C@@H]3COCC[NH2+]3)c2)cc1 ZINC001220432174 1034173226 /nfs/dbraw/zinc/17/32/26/1034173226.db2.gz ZRWAJPSSFZIHOE-GOSISDBHSA-N 1 0 367.453 2.886 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000831748797 1034255739 /nfs/dbraw/zinc/25/57/39/1034255739.db2.gz NRHSLRZQAZWXAT-CSNJMZFVSA-N 1 0 357.498 2.558 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748711 1034256491 /nfs/dbraw/zinc/25/64/91/1034256491.db2.gz KZEFEQACEUWTMD-JXFKEZNVSA-N 1 0 353.466 2.728 20 10 FFCDRO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499250 1034341121 /nfs/dbraw/zinc/34/11/21/1034341121.db2.gz ACPYCNWYBBYREV-FQEVSTJZSA-N 1 0 353.466 2.880 20 10 FFCDRO Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138500214 1034341989 /nfs/dbraw/zinc/34/19/89/1034341989.db2.gz TWHKRHNKDXYFQR-HXUWFJFHSA-N 1 0 368.481 2.665 20 10 FFCDRO CCCc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]c(C)c1C(C)=O ZINC000832273288 1034695823 /nfs/dbraw/zinc/69/58/23/1034695823.db2.gz MWDOTBZXIMGDPB-GOSISDBHSA-N 1 0 370.497 2.974 20 10 FFCDRO COc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1OC(C)C ZINC000832284919 1034702654 /nfs/dbraw/zinc/70/26/54/1034702654.db2.gz OAZZEJYOJQGQKD-SFHVURJKSA-N 1 0 371.481 2.978 20 10 FFCDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc2c1O[C@H](C)C2 ZINC000832292582 1034707521 /nfs/dbraw/zinc/70/75/21/1034707521.db2.gz JUKBIKBYVGITDG-FZKQIMNGSA-N 1 0 369.465 2.514 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CC(Oc4ccc(F)c(F)c4)C3)cc2)CC1 ZINC001139409644 1035094185 /nfs/dbraw/zinc/09/41/85/1035094185.db2.gz OFIKPKURIMVKJQ-UHFFFAOYSA-N 1 0 373.447 2.980 20 10 FFCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001140054692 1035323857 /nfs/dbraw/zinc/32/38/57/1035323857.db2.gz WRYVRFRHBOMCOE-UHFFFAOYSA-N 1 0 357.429 2.798 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001140178940 1035369944 /nfs/dbraw/zinc/36/99/44/1035369944.db2.gz DHVFPAZPUAGDOJ-SIKLNZKXSA-N 1 0 365.477 2.932 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NC4CCC4)[C@@H]3C2)c1O ZINC001140179973 1035370094 /nfs/dbraw/zinc/37/00/94/1035370094.db2.gz AVLWWBOKSZPCNZ-HLIPFELVSA-N 1 0 372.509 2.762 20 10 FFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834598162 1035412569 /nfs/dbraw/zinc/41/25/69/1035412569.db2.gz NSORHQAXTCGNNX-XUVXKRRUSA-N 1 0 352.478 2.852 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCC[C@@H]3c3ncccn3)cc2)CC1 ZINC001140309781 1035429514 /nfs/dbraw/zinc/42/95/14/1035429514.db2.gz UKRCKNAYXLPUBE-HXUWFJFHSA-N 1 0 351.498 2.956 20 10 FFCDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000835026987 1035489272 /nfs/dbraw/zinc/48/92/72/1035489272.db2.gz AMWWEHWDWUPANB-GXDMAZLRSA-N 1 0 356.558 2.724 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)[C@@H]1C ZINC001232203468 1035499252 /nfs/dbraw/zinc/49/92/52/1035499252.db2.gz WGUBEDAJVWXMNN-ZBFHGGJFSA-N 1 0 366.889 2.950 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000835067477 1035504184 /nfs/dbraw/zinc/50/41/84/1035504184.db2.gz SBNPUTLMGRMFGN-INIZCTEOSA-N 1 0 366.458 2.516 20 10 FFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1C ZINC000835073615 1035511568 /nfs/dbraw/zinc/51/15/68/1035511568.db2.gz NWIKDEXVXSBCAP-HXUWFJFHSA-N 1 0 372.484 2.972 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(O)c1 ZINC001277204410 1035526279 /nfs/dbraw/zinc/52/62/79/1035526279.db2.gz JTPXUSUGOXERNO-HXUWFJFHSA-N 1 0 355.438 2.764 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCN(C4COC4)C3=O)CC2)c(O)c1 ZINC001277204762 1035530335 /nfs/dbraw/zinc/53/03/35/1035530335.db2.gz WKLGPXLBHFOEDU-OAQYLSRUSA-N 1 0 358.482 2.612 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)N1CCCC1 ZINC001232263138 1035535131 /nfs/dbraw/zinc/53/51/31/1035535131.db2.gz HWCNEACQCKBPQC-UHFFFAOYSA-N 1 0 353.850 2.521 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)cc1Cl ZINC001232265738 1035537347 /nfs/dbraw/zinc/53/73/47/1035537347.db2.gz PVBGPOFTVKAGEC-UKRRQHHQSA-N 1 0 374.872 2.803 20 10 FFCDRO O=C(C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1)N1CCCCC1 ZINC001232267771 1035538789 /nfs/dbraw/zinc/53/87/89/1035538789.db2.gz LRHJBHZZJNRVGV-UHFFFAOYSA-N 1 0 352.862 2.976 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)OCC1=O ZINC001277211761 1035566543 /nfs/dbraw/zinc/56/65/43/1035566543.db2.gz ABTUPYQFPXCMSZ-IFXJQAMLSA-N 1 0 366.889 2.956 20 10 FFCDRO CCOC(=O)NC1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232404114 1035652261 /nfs/dbraw/zinc/65/22/61/1035652261.db2.gz MQSVDLSQCAYIRQ-UHFFFAOYSA-N 1 0 373.453 2.675 20 10 FFCDRO O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001277664409 1035683765 /nfs/dbraw/zinc/68/37/65/1035683765.db2.gz BARPZYKXZSDJEX-LLVKDONJSA-N 1 0 374.815 2.735 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)c1 ZINC001140620697 1035745601 /nfs/dbraw/zinc/74/56/01/1035745601.db2.gz YHCDTXMBKFNEHN-GOSISDBHSA-N 1 0 351.450 2.734 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001140620830 1035747556 /nfs/dbraw/zinc/74/75/56/1035747556.db2.gz CRTAJZIDCLDNDB-IIBYNOLFSA-N 1 0 351.450 2.971 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cccc(CF)n3)CC2)cc1 ZINC001232537994 1035787977 /nfs/dbraw/zinc/78/79/77/1035787977.db2.gz LLJATVJAKVDPSI-UHFFFAOYSA-N 1 0 359.445 2.899 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001140661371 1035810971 /nfs/dbraw/zinc/81/09/71/1035810971.db2.gz CAPDMGZGEJGUIT-IBGZPJMESA-N 1 0 357.429 2.711 20 10 FFCDRO CC[N@@H+]1CCC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C1 ZINC001228108329 1035936560 /nfs/dbraw/zinc/93/65/60/1035936560.db2.gz FGJNWNVFGBCRCK-OAHLLOKOSA-N 1 0 357.406 2.898 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1O ZINC001140743936 1036034315 /nfs/dbraw/zinc/03/43/15/1036034315.db2.gz FKZRIHWLPHZNDT-FUHWJXTLSA-N 1 0 370.424 2.636 20 10 FFCDRO Cc1c(O)ccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)c1O ZINC001140748011 1036044201 /nfs/dbraw/zinc/04/42/01/1036044201.db2.gz RDBSZNOYDOUQIP-IBGZPJMESA-N 1 0 356.466 2.739 20 10 FFCDRO CN(C)C(=O)N1CCCC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232838047 1036090331 /nfs/dbraw/zinc/09/03/31/1036090331.db2.gz OPQVYHCBYSETGW-UHFFFAOYSA-N 1 0 360.502 2.570 20 10 FFCDRO COc1cccc(OC2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)n1 ZINC001232841322 1036096904 /nfs/dbraw/zinc/09/69/04/1036096904.db2.gz CIIIFILLKWWJCN-UHFFFAOYSA-N 1 0 357.454 2.905 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(O)c1 ZINC001232842040 1036097933 /nfs/dbraw/zinc/09/79/33/1036097933.db2.gz YCDSBHMTYOEHLN-MRXNPFEDSA-N 1 0 369.440 2.828 20 10 FFCDRO CC(C)(C)OC(=O)N[C@]1(C)CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010783 1036241343 /nfs/dbraw/zinc/24/13/43/1036241343.db2.gz UFHHPTAIUOXLFL-GOSISDBHSA-N 1 0 352.431 2.683 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)CN1c1cccc(F)c1 ZINC001233013320 1036249634 /nfs/dbraw/zinc/24/96/34/1036249634.db2.gz RXTRSCMGYLJSDZ-HXUWFJFHSA-N 1 0 372.396 2.572 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)CN1c1cccc(F)c1 ZINC001233013318 1036249851 /nfs/dbraw/zinc/24/98/51/1036249851.db2.gz RXTRSCMGYLJSDZ-FQEVSTJZSA-N 1 0 372.396 2.572 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)c(O)c1 ZINC001140852601 1036287139 /nfs/dbraw/zinc/28/71/39/1036287139.db2.gz VDENBHJKEVKNIY-UHFFFAOYSA-N 1 0 357.498 2.825 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001140856858 1036294533 /nfs/dbraw/zinc/29/45/33/1036294533.db2.gz OYWFHIGSKJZSDB-SFHVURJKSA-N 1 0 356.470 2.990 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC001233110919 1036354879 /nfs/dbraw/zinc/35/48/79/1036354879.db2.gz VQQQOIZOITXCMX-LBPRGKRZSA-N 1 0 355.276 2.763 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1O ZINC001233111259 1036356730 /nfs/dbraw/zinc/35/67/30/1036356730.db2.gz MUDPCDYMNIXBEH-AWEZNQCLSA-N 1 0 364.243 2.906 20 10 FFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)c(OC)cc2O)C1 ZINC001233142359 1036393398 /nfs/dbraw/zinc/39/33/98/1036393398.db2.gz OKEQSSHAVCIUTA-HNNXBMFYSA-N 1 0 358.232 2.548 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3C[C@@H]4C[C@H]3C[N@H+](C)C4)cs2)cc1 ZINC001277347082 1036446230 /nfs/dbraw/zinc/44/62/30/1036446230.db2.gz QGBDKHSSFGVEOI-CJNGLKHVSA-N 1 0 356.495 2.652 20 10 FFCDRO CCOC(=O)c1c(CN2CCc3c(ncn3C)C2)c2ccccc2n1C ZINC001233273281 1036479355 /nfs/dbraw/zinc/47/93/55/1036479355.db2.gz VZQOYRUNTFJOBW-UHFFFAOYSA-N 1 0 352.438 2.647 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)CC[C@H]21 ZINC001233284751 1036493368 /nfs/dbraw/zinc/49/33/68/1036493368.db2.gz GOHYSGILNPOKLN-UYAOXDASSA-N 1 0 360.498 2.901 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001233291006 1036495515 /nfs/dbraw/zinc/49/55/15/1036495515.db2.gz HIHSUKFTKXWVRM-HNNXBMFYSA-N 1 0 370.877 2.514 20 10 FFCDRO Oc1ccc(F)c(F)c1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001233334304 1036541650 /nfs/dbraw/zinc/54/16/50/1036541650.db2.gz BDPCTSBGWZAGNT-HNAYVOBHSA-N 1 0 366.452 2.993 20 10 FFCDRO C[N@H+](Cc1cc(O)c(O)cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001233484002 1036650945 /nfs/dbraw/zinc/65/09/45/1036650945.db2.gz UNWOJVUYIGELME-UHFFFAOYSA-N 1 0 352.431 2.635 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCCN(Cc4ncco4)C3)C2)cc1 ZINC001141003947 1036675728 /nfs/dbraw/zinc/67/57/28/1036675728.db2.gz NXVUYCIAPIUGRI-FQEVSTJZSA-N 1 0 357.454 2.802 20 10 FFCDRO C[N@H+](Cc1c[nH]nc1C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC001141015151 1036723008 /nfs/dbraw/zinc/72/30/08/1036723008.db2.gz NUCMWVXJCRUVHG-UHFFFAOYSA-N 1 0 354.376 2.897 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(OC)c1 ZINC001141026732 1036761213 /nfs/dbraw/zinc/76/12/13/1036761213.db2.gz AWJMDOIMPIQLDS-OXJNMPFZSA-N 1 0 363.454 2.569 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncc(C)cn3)C2)c(OC)c1 ZINC001141033065 1036779731 /nfs/dbraw/zinc/77/97/31/1036779731.db2.gz YIOYJENANHHWEZ-AWEZNQCLSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3ncncc3C)C2)c(OC)c1 ZINC001141032611 1036780563 /nfs/dbraw/zinc/78/05/63/1036780563.db2.gz IYTPTZHJLWFROW-AWEZNQCLSA-N 1 0 359.426 2.551 20 10 FFCDRO Cc1ccc(N2CCC(Oc3nc[nH]c4cc(=O)c(O)cc3-4)CC2)nc1 ZINC001233948758 1036837604 /nfs/dbraw/zinc/83/76/04/1036837604.db2.gz KXNYJGPHELOPIO-UHFFFAOYSA-N 1 0 352.394 2.792 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)OCC1=O ZINC001277427955 1036957246 /nfs/dbraw/zinc/95/72/46/1036957246.db2.gz ZJWSEZSMHXEDLG-LIRRHRJNSA-N 1 0 366.889 2.956 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234552672 1037082364 /nfs/dbraw/zinc/08/23/64/1037082364.db2.gz FKKBLHLDQYZUDF-INIZCTEOSA-N 1 0 371.433 2.898 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4cc(C)ncn4)CC3)c2c1 ZINC001234569923 1037092150 /nfs/dbraw/zinc/09/21/50/1037092150.db2.gz UMZGMKPOQBANKK-UHFFFAOYSA-N 1 0 364.449 2.975 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001277893351 1037184761 /nfs/dbraw/zinc/18/47/61/1037184761.db2.gz KBXJYQVJVDZILP-ZTNFWEORSA-N 1 0 360.498 2.755 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC001231550769 1037675531 /nfs/dbraw/zinc/67/55/31/1037675531.db2.gz QXRJJYBPNUOILO-GFCCVEGCSA-N 1 0 370.165 2.662 20 10 FFCDRO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(Cc1cccc(C)c1O)CCC2 ZINC001231591503 1037707403 /nfs/dbraw/zinc/70/74/03/1037707403.db2.gz DWFCBBHLBSEOGB-UHFFFAOYSA-N 1 0 370.497 2.505 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)c(O)cc1O ZINC001231633715 1037753065 /nfs/dbraw/zinc/75/30/65/1037753065.db2.gz UTFUMDMMHIYDJC-UHFFFAOYSA-N 1 0 354.406 2.592 20 10 FFCDRO COc1cc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(O)cc1O ZINC001231634356 1037755237 /nfs/dbraw/zinc/75/52/37/1037755237.db2.gz HKOWMBFNWPPLCH-CQSZACIVSA-N 1 0 374.485 2.720 20 10 FFCDRO COCCCN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CCC[NH2+]C1 ZINC001235806001 1037756473 /nfs/dbraw/zinc/75/64/73/1037756473.db2.gz HYWZHKFMCKYSLT-LJQANCHMSA-N 1 0 373.541 2.682 20 10 FFCDRO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)c(O)cc1O ZINC001231634461 1037756649 /nfs/dbraw/zinc/75/66/49/1037756649.db2.gz NJQCDVFTALIJDZ-CYBMUJFWSA-N 1 0 366.458 2.938 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001207822543 1037759554 /nfs/dbraw/zinc/75/95/54/1037759554.db2.gz BFVUESCJFKDTSG-QZTJIDSGSA-N 1 0 360.523 2.807 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636820 1037759824 /nfs/dbraw/zinc/75/98/24/1037759824.db2.gz AHHHLTRJTRWRTQ-OCCSQVGLSA-N 1 0 366.458 2.842 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c(O)cc1O ZINC001231639256 1037760994 /nfs/dbraw/zinc/76/09/94/1037760994.db2.gz GYXZPTCOSRBHJF-MRXNPFEDSA-N 1 0 374.412 2.640 20 10 FFCDRO C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001536924865 1070086455 /nfs/dbraw/zinc/08/64/55/1070086455.db2.gz MUGUBRQHNSVUBR-MRXNPFEDSA-N 1 0 371.456 2.661 20 10 FFCDRO CCN(Cc1cccc(I)c1O)[C@H]1CCC[NH2+]C1 ZINC001236010437 1037887175 /nfs/dbraw/zinc/88/71/75/1037887175.db2.gz RSFHNZXWWIVHCZ-LBPRGKRZSA-N 1 0 360.239 2.571 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@H]3C2)c(O)c1 ZINC001231845424 1037943223 /nfs/dbraw/zinc/94/32/23/1037943223.db2.gz YZSAGCCRDFYLLN-YVWKXTFCSA-N 1 0 358.482 2.515 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(O)c1 ZINC001231844398 1037943328 /nfs/dbraw/zinc/94/33/28/1037943328.db2.gz HXZWKQLZEDFLKU-MOPGFXCFSA-N 1 0 354.498 2.696 20 10 FFCDRO CCCC[C@@H]1CN(Cc2cccc(I)c2O)CC[NH2+]1 ZINC001236142787 1037948618 /nfs/dbraw/zinc/94/86/18/1037948618.db2.gz SPMQXBLIEIKNDH-CYBMUJFWSA-N 1 0 374.266 2.961 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001231854255 1037951682 /nfs/dbraw/zinc/95/16/82/1037951682.db2.gz BRXBBGNEXIGTPC-IBGZPJMESA-N 1 0 365.477 2.992 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)cc1Cl ZINC001231869355 1037964616 /nfs/dbraw/zinc/96/46/16/1037964616.db2.gz MOQOVJGFIMBXAW-IBGZPJMESA-N 1 0 374.872 2.717 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001231868190 1037965588 /nfs/dbraw/zinc/96/55/88/1037965588.db2.gz RUVJHCSVNQHTLI-IBGZPJMESA-N 1 0 366.889 2.815 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)cc1Cl ZINC001231869891 1037965979 /nfs/dbraw/zinc/96/59/79/1037965979.db2.gz ZFAKHIYPPXLWFH-IBGZPJMESA-N 1 0 372.856 2.773 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4CCCN(C)C4)C3)C2)cc1 ZINC001255487544 1037969953 /nfs/dbraw/zinc/96/99/53/1037969953.db2.gz 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CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]Cc2ccc(O)cc2O)cc1 ZINC001253432817 1040178962 /nfs/dbraw/zinc/17/89/62/1040178962.db2.gz MRSYNOFTXFPRPW-SFHVURJKSA-N 1 0 373.449 2.703 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@](C)(O)C(=O)OCc2ccccc2)cc1 ZINC001253639458 1040275574 /nfs/dbraw/zinc/27/55/74/1040275574.db2.gz VKJSSOBPBDGESS-NRFANRHFSA-N 1 0 356.466 2.679 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1I ZINC001248472384 1040291302 /nfs/dbraw/zinc/29/13/02/1040291302.db2.gz ZMOJWHVHICFETM-GXSJLCMTSA-N 1 0 359.207 2.990 20 10 FFCDRO Cc1ccsc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001260071124 1040388264 /nfs/dbraw/zinc/38/82/64/1040388264.db2.gz IENIKVLOZKGFDM-UHFFFAOYSA-N 1 0 366.508 2.705 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)c(O)c1 ZINC001249214642 1040627628 /nfs/dbraw/zinc/62/76/28/1040627628.db2.gz ORPRABHKTUHKAM-UHFFFAOYSA-N 1 0 354.450 2.957 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C)n3)C2)c(O)c1 ZINC001249218546 1040634939 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FFCDRO COc1cccc([C@H](O)C[NH+]2CCN(c3ccc(OC)cc3C)CC2)c1 ZINC001250718354 1041324774 /nfs/dbraw/zinc/32/47/74/1041324774.db2.gz TVQITRWDMBHNIH-OAQYLSRUSA-N 1 0 356.466 2.868 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](n2cncn2)C1 ZINC001261605155 1041333577 /nfs/dbraw/zinc/33/35/77/1041333577.db2.gz ZRMYFMJESYOPAF-HBGVWJBISA-N 1 0 369.513 2.759 20 10 FFCDRO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001261762498 1041403977 /nfs/dbraw/zinc/40/39/77/1041403977.db2.gz VHVBBZUCFAOXHD-NRFANRHFSA-N 1 0 354.498 2.966 20 10 FFCDRO CCn1cc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)nn1 ZINC001262359516 1041656576 /nfs/dbraw/zinc/65/65/76/1041656576.db2.gz BCEZLSLMBVJRCJ-UHFFFAOYSA-N 1 0 351.401 2.658 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001263102029 1042104649 /nfs/dbraw/zinc/10/46/49/1042104649.db2.gz JAYYZJYHYFPKLG-KFWWJZLASA-N 1 0 367.440 2.619 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)NCC(F)(F)F)C[C@H]32)cc1 ZINC001279149168 1042919805 /nfs/dbraw/zinc/91/98/05/1042919805.db2.gz AFTLDRIXODUXOB-GOEBONIOSA-N 1 0 370.419 2.531 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3CN(COCCOC)C[C@H]32)cc1 ZINC001279149914 1042920705 /nfs/dbraw/zinc/92/07/05/1042920705.db2.gz NXCSTZRSEVEGMU-PZJWPPBQSA-N 1 0 361.530 2.659 20 10 FFCDRO COC1(CC(=O)N2CCC3(C[NH+](Cc4cccc(C)c4O)C3)C2)CCC1 ZINC001279289920 1042985488 /nfs/dbraw/zinc/98/54/88/1042985488.db2.gz BFAJSAGNSDZMKV-UHFFFAOYSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)c1O ZINC001279314577 1042996723 /nfs/dbraw/zinc/99/67/23/1042996723.db2.gz WPJQBSRINKUVBZ-HXUWFJFHSA-N 1 0 361.486 2.812 20 10 FFCDRO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001279396371 1043052006 /nfs/dbraw/zinc/05/20/06/1043052006.db2.gz YDOBJFKTWZPORV-KDURUIRLSA-N 1 0 362.514 2.959 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001279473397 1043155464 /nfs/dbraw/zinc/15/54/64/1043155464.db2.gz AGXVKNIFLRMTNF-OALUTQOASA-N 1 0 362.514 2.959 20 10 FFCDRO Cc1cccc(O)c1CN1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001237489073 1043203068 /nfs/dbraw/zinc/20/30/68/1043203068.db2.gz DQOGKRWJZLFTNS-UHFFFAOYSA-N 1 0 364.405 2.894 20 10 FFCDRO Cc1cccc(O)c1C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001237492977 1043206175 /nfs/dbraw/zinc/20/61/75/1043206175.db2.gz UXQPKGOBNJWXFT-UHFFFAOYSA-N 1 0 363.502 2.685 20 10 FFCDRO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCCC(F)(F)F)cc1O ZINC001279514998 1043211302 /nfs/dbraw/zinc/21/13/02/1043211302.db2.gz WQPFEUPAZLCETL-STQMWFEESA-N 1 0 360.376 2.795 20 10 FFCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c3ccccc3n(C)c1C)C2 ZINC001279541165 1043237638 /nfs/dbraw/zinc/23/76/38/1043237638.db2.gz OUCYIPBKVZKNJQ-MSOLQXFVSA-N 1 0 357.498 2.613 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)CN1 ZINC001237645641 1043291063 /nfs/dbraw/zinc/29/10/63/1043291063.db2.gz INKCYHLKBCTRDK-UHFFFAOYSA-N 1 0 370.424 2.679 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237670292 1043302155 /nfs/dbraw/zinc/30/21/55/1043302155.db2.gz RTKWQJFJGKYHOQ-UKRRQHHQSA-N 1 0 367.339 2.637 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1Br ZINC001237677890 1043304916 /nfs/dbraw/zinc/30/49/16/1043304916.db2.gz RIJGHFVDIRNUJE-UHFFFAOYSA-N 1 0 353.260 2.565 20 10 FFCDRO COc1cc(C[NH+]2CCC(C)(C(=O)N3CCCC3)CC2)c(O)c(OC)c1 ZINC001237678041 1043305443 /nfs/dbraw/zinc/30/54/43/1043305443.db2.gz JMKDQIHCBCGGOH-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO Cc1cc(O)c(CN2CCN(CCC[NH+](C)C)CC2)cc1Br ZINC001237681132 1043306653 /nfs/dbraw/zinc/30/66/53/1043306653.db2.gz HKOIEXCEEFKTDP-UHFFFAOYSA-N 1 0 370.335 2.532 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@H]1c1ccccc1 ZINC001237684215 1043311008 /nfs/dbraw/zinc/31/10/08/1043311008.db2.gz OPIWCOKRFHASRH-ROUUACIJSA-N 1 0 371.433 2.798 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)c(C)cc2O)CC12CC2 ZINC001237686752 1043312517 /nfs/dbraw/zinc/31/25/17/1043312517.db2.gz XNCSSCHFEPLXIC-LBPRGKRZSA-N 1 0 354.244 2.848 20 10 FFCDRO Cc1cc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)ccc1Cl ZINC001237813609 1043375928 /nfs/dbraw/zinc/37/59/28/1043375928.db2.gz OCJILGHMJIZILN-UHFFFAOYSA-N 1 0 351.859 2.597 20 10 FFCDRO Oc1cc(CN2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cc(O)c1O ZINC001279681512 1043460222 /nfs/dbraw/zinc/46/02/22/1043460222.db2.gz AFTHPLXUROLFGE-HXUWFJFHSA-N 1 0 357.454 2.620 20 10 FFCDRO Cc1cc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)N2CC=CC2)ccc1N(C)C ZINC001279735688 1043556241 /nfs/dbraw/zinc/55/62/41/1043556241.db2.gz SLYBDXLYSGPWEW-SFHVURJKSA-N 1 0 371.550 2.767 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@H](CC(=O)N(C)C)O[C@H]3C2)cc1 ZINC001279745011 1043575281 /nfs/dbraw/zinc/57/52/81/1043575281.db2.gz ZRROZOCICYZFON-RLLQIKCJSA-N 1 0 359.514 2.600 20 10 FFCDRO O=C(Nc1cccc2c1OCO2)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279968338 1044000712 /nfs/dbraw/zinc/00/07/12/1044000712.db2.gz JGZFCYVTVZFBIG-AWEZNQCLSA-N 1 0 352.390 2.582 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001279971149 1044008173 /nfs/dbraw/zinc/00/81/73/1044008173.db2.gz QYHXUDXQPFNNKV-QGZVFWFLSA-N 1 0 360.498 2.879 20 10 FFCDRO COc1cccc(C[NH2+]C23CC(C(=O)N(C)C4CC(F)(F)C4)(C2)C3)c1O ZINC001279981286 1044030048 /nfs/dbraw/zinc/03/00/48/1044030048.db2.gz JGTHOCMMPINMIR-UHFFFAOYSA-N 1 0 366.408 2.669 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)c1O ZINC001280034175 1044111644 /nfs/dbraw/zinc/11/16/44/1044111644.db2.gz YZXPRCRGPPBYES-KBXCAEBGSA-N 1 0 357.429 2.647 20 10 FFCDRO CCOC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001312631931 1044147111 /nfs/dbraw/zinc/14/71/11/1044147111.db2.gz LQHVPQKBPRXHMU-RTBURBONSA-N 1 0 364.534 2.716 20 10 FFCDRO CCOC1(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC001312761235 1044167349 /nfs/dbraw/zinc/16/73/49/1044167349.db2.gz DRXFHHUUVSOVKP-UHFFFAOYSA-N 1 0 374.529 2.587 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001312885100 1044186694 /nfs/dbraw/zinc/18/66/94/1044186694.db2.gz OPELIMLWTPQDIE-JQERWDHBSA-N 1 0 358.530 2.631 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2c(O)cccc2F)[NH+](C)C)cc1 ZINC001313393807 1044345349 /nfs/dbraw/zinc/34/53/49/1044345349.db2.gz DXVPSBRDGRQPSV-GOSISDBHSA-N 1 0 374.460 2.699 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@H](C2CC2)O1 ZINC001313417053 1044350829 /nfs/dbraw/zinc/35/08/29/1044350829.db2.gz QKCYKSQUMCBMBO-UIAACRFSSA-N 1 0 374.529 2.564 20 10 FFCDRO c1ccc2c(c1)CCN2c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)ncn1 ZINC001240487879 1044367198 /nfs/dbraw/zinc/36/71/98/1044367198.db2.gz QOPBYDMAEBWZGP-UHFFFAOYSA-N 1 0 358.449 2.642 20 10 FFCDRO O=C(Nc1ccc(O)cc1O)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001280292524 1044559711 /nfs/dbraw/zinc/55/97/11/1044559711.db2.gz LYRRRZHVEIHQJV-UHFFFAOYSA-N 1 0 358.369 2.594 20 10 FFCDRO Cc1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2ccccn12 ZINC001539236601 1070594160 /nfs/dbraw/zinc/59/41/60/1070594160.db2.gz VYFAFBBMKTTXLK-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001318054843 1045201811 /nfs/dbraw/zinc/20/18/11/1045201811.db2.gz UUVSJVKUHOUGKG-XLIONFOSSA-N 1 0 359.514 2.965 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(O)c1O ZINC001319945156 1045310391 /nfs/dbraw/zinc/31/03/91/1045310391.db2.gz GUMRNWLCNZXOMF-UHFFFAOYSA-N 1 0 355.438 2.719 20 10 FFCDRO CCN(C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)S(C)(=O)=O ZINC001319950280 1045311213 /nfs/dbraw/zinc/31/12/13/1045311213.db2.gz MRPQYWNPKZLOKS-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001320134100 1045353799 /nfs/dbraw/zinc/35/37/99/1045353799.db2.gz USKWMEONGYUREY-DZGCQCFKSA-N 1 0 352.500 2.510 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CCO[C@H]3C3CC3)cc2F)CC1 ZINC001320413568 1045404010 /nfs/dbraw/zinc/40/40/10/1045404010.db2.gz CMGUSLZYRVMVEI-SFTDATJTSA-N 1 0 361.505 2.872 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC001323828441 1045741669 /nfs/dbraw/zinc/74/16/69/1045741669.db2.gz AVZFRHXXSRSLTJ-ZACQAIPSSA-N 1 0 359.514 2.781 20 10 FFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325712847 1046620063 /nfs/dbraw/zinc/62/00/63/1046620063.db2.gz DTIOOMVKJDRLHT-FXAWDEMLSA-N 1 0 360.521 2.636 20 10 FFCDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CCN(C)CC3)c(F)c1)CCOCC2 ZINC001326339021 1046882678 /nfs/dbraw/zinc/88/26/78/1046882678.db2.gz OBJDSCVCVLFJSS-QGZVFWFLSA-N 1 0 361.505 2.969 20 10 FFCDRO Cc1noc(CCC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000729685647 1046939680 /nfs/dbraw/zinc/93/96/80/1046939680.db2.gz FMDRTOCATKBFQV-UHFFFAOYSA-N 1 0 359.430 2.999 20 10 FFCDRO CCCc1ncc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001288330153 1047448805 /nfs/dbraw/zinc/44/88/05/1047448805.db2.gz JKMGIBGWSQYIGI-UHFFFAOYSA-N 1 0 358.511 2.777 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccccc3F)cc2)CC1 ZINC001288334593 1047449049 /nfs/dbraw/zinc/44/90/49/1047449049.db2.gz LGYRYFFTOSUCRJ-DHZHZOJOSA-N 1 0 353.441 2.907 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331387507 1047907904 /nfs/dbraw/zinc/90/79/04/1047907904.db2.gz MMTHYAHWIBOJMB-FXAWDEMLSA-N 1 0 358.530 2.872 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1OC ZINC001334154386 1049279565 /nfs/dbraw/zinc/27/95/65/1049279565.db2.gz HWCJHSQQNHLGIS-QGZVFWFLSA-N 1 0 370.449 2.804 20 10 FFCDRO Cn1ccc(C2CC[NH+](Cc3ccc(N4CCN(C)CC4)c(F)c3)CC2)n1 ZINC001334317750 1049369781 /nfs/dbraw/zinc/36/97/81/1049369781.db2.gz IJFQQKFCYDEXBR-UHFFFAOYSA-N 1 0 371.504 2.691 20 10 FFCDRO CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001295119950 1049884840 /nfs/dbraw/zinc/88/48/40/1049884840.db2.gz VGJBOYKSCRWETB-NYPGBQQYSA-N 1 0 371.525 2.552 20 10 FFCDRO O=C1CCCN1CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743503647 1050085626 /nfs/dbraw/zinc/08/56/26/1050085626.db2.gz KQOKWCNUNPOGEJ-UHFFFAOYSA-N 1 0 360.458 2.687 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc(CC[NH3+])cc3)CC2)cc1 ZINC001341672481 1050294580 /nfs/dbraw/zinc/29/45/80/1050294580.db2.gz IDGGMUVAJONYTF-UHFFFAOYSA-N 1 0 353.466 2.549 20 10 FFCDRO Cc1nc2ncnn2c(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC001307228483 1052273227 /nfs/dbraw/zinc/27/32/27/1052273227.db2.gz RNQCGNOOFVIZEW-QGZVFWFLSA-N 1 0 353.474 2.522 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1O ZINC001308010425 1052383143 /nfs/dbraw/zinc/38/31/43/1052383143.db2.gz NPNQMDJSHWTMFX-LLVKDONJSA-N 1 0 373.478 2.721 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(Cc3ccc(C)cc3)CCO2)c1 ZINC001308905398 1052515607 /nfs/dbraw/zinc/51/56/07/1052515607.db2.gz CXPRVDGFAYHDTN-HXUWFJFHSA-N 1 0 356.466 2.700 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)C[C@@H](O)Cc3ccccc3)cc2F)CC1 ZINC001343972843 1052521343 /nfs/dbraw/zinc/52/13/43/1052521343.db2.gz MXFPZDYCQJVMPH-FQEVSTJZSA-N 1 0 371.500 2.613 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@H](c3ccc(N(C)C)cc3)N(C)C)[C@@H]2C1 ZINC001308970821 1052528897 /nfs/dbraw/zinc/52/88/97/1052528897.db2.gz CHUVIGKMUMGTAF-CVYSASLGSA-N 1 0 359.514 2.533 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001335380001 1053328173 /nfs/dbraw/zinc/32/81/73/1053328173.db2.gz GNJNHXGMVVNQRV-ABSDTBQOSA-N 1 0 374.529 2.743 20 10 FFCDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C[N@@H+]2C1 ZINC001543098869 1071380106 /nfs/dbraw/zinc/38/01/06/1071380106.db2.gz NRDIKKQNIXWNJA-IMFGXOCKSA-N 1 0 373.566 2.976 20 10 FFCDRO COc1nc(Cl)c(C[NH2+]Cc2cc(Br)ccc2O)n1C ZINC001347212700 1053725543 /nfs/dbraw/zinc/72/55/43/1053725543.db2.gz XJCXTTJCKDLTRN-UHFFFAOYSA-N 1 0 360.639 2.840 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(C)C ZINC001337010492 1054407707 /nfs/dbraw/zinc/40/77/07/1054407707.db2.gz UOPGJSMYAFYQHT-UHFFFAOYSA-N 1 0 365.493 2.599 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccncc2)[NH+](C)C)cc1 ZINC001337615473 1054894257 /nfs/dbraw/zinc/89/42/57/1054894257.db2.gz NTOIAMWQDKSCIA-XUVXKRRUSA-N 1 0 352.482 2.670 20 10 FFCDRO CC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC(C)(C)C ZINC001349399120 1055228780 /nfs/dbraw/zinc/22/87/80/1055228780.db2.gz WWWLMYNIVUMVOT-QGZVFWFLSA-N 1 0 365.493 2.787 20 10 FFCDRO Nc1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC001356083549 1055275096 /nfs/dbraw/zinc/27/50/96/1055275096.db2.gz SENFNCDFSNYASI-UHFFFAOYSA-N 1 0 355.873 2.888 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000848879835 1055293674 /nfs/dbraw/zinc/29/36/74/1055293674.db2.gz DWKNAGLITZOUBA-KTKRTIGZSA-N 1 0 370.449 2.934 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000848895966 1055324064 /nfs/dbraw/zinc/32/40/64/1055324064.db2.gz ZTDUWLYLCSFBHB-ALCCZGGFSA-N 1 0 374.412 2.731 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000848912362 1055352982 /nfs/dbraw/zinc/35/29/82/1055352982.db2.gz PTDFOELBEBWOPQ-RTWAWAEBSA-N 1 0 354.494 2.927 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)cc1 ZINC001352409464 1055448346 /nfs/dbraw/zinc/44/83/46/1055448346.db2.gz LJKAHULINNTPMX-UMSONDCASA-N 1 0 371.525 2.616 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)c3ccccc3C[NH3+])cc2F)C[C@H](C)O1 ZINC001357369099 1055881272 /nfs/dbraw/zinc/88/12/72/1055881272.db2.gz UOERVLAGSAUDPS-GJZGRUSLSA-N 1 0 371.456 2.828 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccns1 ZINC001338937110 1055947407 /nfs/dbraw/zinc/94/74/07/1055947407.db2.gz MYNCLXQEJARCBV-UHFFFAOYSA-N 1 0 356.495 2.605 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(C)CC=CC3)CC2)cc1 ZINC001350975500 1056023350 /nfs/dbraw/zinc/02/33/50/1056023350.db2.gz AHPUGSFRCNPGMM-UHFFFAOYSA-N 1 0 357.498 2.680 20 10 FFCDRO Oc1cccc(Br)c1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001351328951 1056201250 /nfs/dbraw/zinc/20/12/50/1056201250.db2.gz GMLWTKNUSTXUAT-WBVHZDCISA-N 1 0 369.303 2.622 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC001200346491 1056430012 /nfs/dbraw/zinc/43/00/12/1056430012.db2.gz NTDPGXUOLZGXOL-INIZCTEOSA-N 1 0 362.477 2.954 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)C2)cc1 ZINC000849321268 1056827285 /nfs/dbraw/zinc/82/72/85/1056827285.db2.gz ATTHGJICNDHAMP-WIYYLYMNSA-N 1 0 365.477 2.883 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000849321942 1056827422 /nfs/dbraw/zinc/82/74/22/1056827422.db2.gz NLTSDNPSTAMDHK-FXAWDEMLSA-N 1 0 353.466 2.693 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001544892101 1071707928 /nfs/dbraw/zinc/70/79/28/1071707928.db2.gz MNMJSRJCCCISJF-HKUYNNGSSA-N 1 0 359.514 2.854 20 10 FFCDRO COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1C ZINC001501459082 1058666576 /nfs/dbraw/zinc/66/65/76/1058666576.db2.gz BCVBWSAVSYJHLB-YZGWKJHDSA-N 1 0 372.509 2.516 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)[NH+](C)C)cc1 ZINC001355379620 1060187029 /nfs/dbraw/zinc/18/70/29/1060187029.db2.gz DJEPIOJJQYMCER-HOJAQTOUSA-N 1 0 374.529 2.566 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCOc3ccc(F)cc3)cc2F)CC1 ZINC001461035684 1061192098 /nfs/dbraw/zinc/19/20/98/1061192098.db2.gz CNGJDQVKULFHHC-UHFFFAOYSA-N 1 0 361.436 2.885 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23OCCO3)ccc1N1CCCCC1 ZINC001461671441 1061376082 /nfs/dbraw/zinc/37/60/82/1061376082.db2.gz SQYFOADQUIJIEB-SFHVURJKSA-N 1 0 361.442 2.970 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CCNC2=S)cc1 ZINC001461839459 1061424232 /nfs/dbraw/zinc/42/42/32/1061424232.db2.gz SAGGDVKDSCNLNI-UHFFFAOYSA-N 1 0 360.552 2.664 20 10 FFCDRO COc1ccc(N2C[C@H]([NH2+]Cc3cc(C)cc(OC)c3O)CC2=O)cc1 ZINC001462416166 1061615016 /nfs/dbraw/zinc/61/50/16/1061615016.db2.gz BVFRCMLCVDCOIY-OAHLLOKOSA-N 1 0 356.422 2.613 20 10 FFCDRO CC(C)Oc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccn1 ZINC001462470756 1061636739 /nfs/dbraw/zinc/63/67/39/1061636739.db2.gz XHBBKPLGCLQIJF-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001528038427 1061725466 /nfs/dbraw/zinc/72/54/66/1061725466.db2.gz YBAOIQIKMFZEGH-QZTJIDSGSA-N 1 0 361.486 2.567 20 10 FFCDRO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[NH+]1CCCC1 ZINC001463575885 1062167697 /nfs/dbraw/zinc/16/76/97/1062167697.db2.gz TXZADBXGORUNJO-QGZVFWFLSA-N 1 0 370.449 2.602 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C[NH3+])[C@H](C)C3)ccc21 ZINC001523028066 1062362807 /nfs/dbraw/zinc/36/28/07/1062362807.db2.gz MRJXHBRVIKXTIF-KDOFPFPSSA-N 1 0 357.498 2.961 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001471002427 1064521865 /nfs/dbraw/zinc/52/18/65/1064521865.db2.gz QLHTVEMUBVSECI-SFHVURJKSA-N 1 0 369.509 2.978 20 10 FFCDRO CCCN(CC(C)(C)O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001471544906 1064711243 /nfs/dbraw/zinc/71/12/43/1064711243.db2.gz OCVZKOVUBDIUJE-GOSISDBHSA-N 1 0 364.534 2.548 20 10 FFCDRO CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471565838 1064716822 /nfs/dbraw/zinc/71/68/22/1064716822.db2.gz WJERAAJESCOVBT-YLJYHZDGSA-N 1 0 361.530 2.632 20 10 FFCDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC001575927473 1078178645 /nfs/dbraw/zinc/17/86/45/1078178645.db2.gz YTJYCRVZIKFMLT-BEFAXECRSA-N 1 0 353.466 2.778 20 10 FFCDRO COc1ccc(C[NH2+]CCc2csc(N(C)C)n2)cc1Cn1cccn1 ZINC001473990570 1065434885 /nfs/dbraw/zinc/43/48/85/1065434885.db2.gz ROSOYZHAHDYTPH-UHFFFAOYSA-N 1 0 371.510 2.795 20 10 FFCDRO CN(CCOCC[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC(C)(C)C ZINC001474214058 1065470670 /nfs/dbraw/zinc/47/06/70/1065470670.db2.gz MTYKJTRBSYKXFT-UHFFFAOYSA-N 1 0 364.486 2.985 20 10 FFCDRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001577012443 1078294120 /nfs/dbraw/zinc/29/41/20/1078294120.db2.gz SARFGCNTHJIXNG-VBQJREDUSA-N 1 0 374.508 2.828 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579617067 1078651033 /nfs/dbraw/zinc/65/10/33/1078651033.db2.gz KSUXEDFHXSVJHA-QGZVFWFLSA-N 1 0 354.502 2.506 20 10 FFCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccc(N)cc3)CC2)cc1 ZINC001579732053 1078671564 /nfs/dbraw/zinc/67/15/64/1078671564.db2.gz ZUDOTDKTOBLZGW-UHFFFAOYSA-N 1 0 359.495 2.520 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@H]1[NH2+]CC[C@@H]1C ZINC001579903255 1078710982 /nfs/dbraw/zinc/71/09/82/1078710982.db2.gz PRYRSHCVOSLLSX-OXJNMPFZSA-N 1 0 368.529 2.821 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC001580097453 1078748891 /nfs/dbraw/zinc/74/88/91/1078748891.db2.gz RRYUGZZOOZBGPG-IAGOWNOFSA-N 1 0 351.410 2.725 20 10 FFCDRO O=C(NCc1c(O)ccc2ccccc21)c1ncoc1C1CC[NH2+]CC1 ZINC001580708849 1078849768 /nfs/dbraw/zinc/84/97/68/1078849768.db2.gz WGCUDYPVMYOPEV-UHFFFAOYSA-N 1 0 351.406 2.930 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC001556481158 1075745522 /nfs/dbraw/zinc/74/55/22/1075745522.db2.gz MWEVYDPPOSYKPJ-CYBMUJFWSA-N 1 0 355.276 2.893 20 10 FFCDRO COCCC[N@H+](Cc1cc(C(C)C)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC001560726634 1076294373 /nfs/dbraw/zinc/29/43/73/1076294373.db2.gz YNZATZBEOOICSP-QGZVFWFLSA-N 1 0 355.500 2.541 20 10 FFCDRO COc1cc(C)c(C[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)c(O)c1 ZINC001560784706 1076299311 /nfs/dbraw/zinc/29/93/11/1076299311.db2.gz XKHNEHXUJNKLHT-UHFFFAOYSA-N 1 0 353.415 2.542 20 10 FFCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1O ZINC001560992742 1076317218 /nfs/dbraw/zinc/31/72/18/1076317218.db2.gz OFUYHJXAVJBNLG-KRWDZBQOSA-N 1 0 368.433 2.927 20 10 FFCDRO CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001565271211 1076707322 /nfs/dbraw/zinc/70/73/22/1076707322.db2.gz OZPZIOBJOOTBBB-LJQANCHMSA-N 1 0 356.514 2.936 20 10 FFCDRO CCCCCOC1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001565271644 1076707459 /nfs/dbraw/zinc/70/74/59/1076707459.db2.gz VQWIZBGZPQQVCT-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001565635505 1076748676 /nfs/dbraw/zinc/74/86/76/1076748676.db2.gz LOCWXKYNYVBKKY-UHFFFAOYSA-N 1 0 354.450 2.763 20 10 FFCDRO COc1ccc(OC)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC001586054817 1079536137 /nfs/dbraw/zinc/53/61/37/1079536137.db2.gz ODZURNKFJVPAAF-LJQANCHMSA-N 1 0 371.481 2.803 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1cc2c(cc1O)CCCC2 ZINC001589967353 1080909180 /nfs/dbraw/zinc/90/91/80/1080909180.db2.gz JYDLPINQCLRXJJ-GFCCVEGCSA-N 1 0 350.426 2.697 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1cc2c(cc1O)CCCC2 ZINC001589967354 1080910103 /nfs/dbraw/zinc/91/01/03/1080910103.db2.gz JYDLPINQCLRXJJ-LBPRGKRZSA-N 1 0 350.426 2.697 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc2ccccc2c1O ZINC000359958870 210201389 /nfs/dbraw/zinc/20/13/89/210201389.db2.gz LENBHOJQVJWIRR-IEBWSBKVSA-N 1 0 369.509 2.603 20 10 FFCDRO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000369095061 512225712 /nfs/dbraw/zinc/22/57/12/512225712.db2.gz GUKXSYWTXGHHAU-UHFFFAOYSA-N 1 0 360.454 2.736 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000373219589 512226550 /nfs/dbraw/zinc/22/65/50/512226550.db2.gz XTFKCBFESVAXOC-WFASDCNBSA-N 1 0 367.287 2.954 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(Br)ccc1O ZINC000373250865 512240559 /nfs/dbraw/zinc/24/05/59/512240559.db2.gz ABEVKSVDPLDJRP-UBHSHLNASA-N 1 0 355.276 2.669 20 10 FFCDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C1 ZINC000054471294 506563328 /nfs/dbraw/zinc/56/33/28/506563328.db2.gz PYEORDDPFYFEFD-CQSZACIVSA-N 1 0 360.454 2.591 20 10 FFCDRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000061523891 507617879 /nfs/dbraw/zinc/61/78/79/507617879.db2.gz XVQMDESDEBBCNE-UHFFFAOYSA-N 1 0 372.488 2.601 20 10 FFCDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000089546749 507846753 /nfs/dbraw/zinc/84/67/53/507846753.db2.gz ZMNOGMHSTBILAS-OAHLLOKOSA-N 1 0 371.456 2.655 20 10 FFCDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000079459690 507964424 /nfs/dbraw/zinc/96/44/24/507964424.db2.gz YBAIWDYKJNUNMK-APWZRJJASA-N 1 0 373.497 2.567 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000092585758 508084592 /nfs/dbraw/zinc/08/45/92/508084592.db2.gz CCOSTUIDIMWZBA-ZDUSSCGKSA-N 1 0 364.467 2.631 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000084962017 508298733 /nfs/dbraw/zinc/29/87/33/508298733.db2.gz KUGMAPRVJMMVEO-UHFFFAOYSA-N 1 0 365.543 2.579 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000104853143 508349173 /nfs/dbraw/zinc/34/91/73/508349173.db2.gz UAOBSJDZADFYCP-HXUWFJFHSA-N 1 0 354.450 2.549 20 10 FFCDRO C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000105266355 508367744 /nfs/dbraw/zinc/36/77/44/508367744.db2.gz KDOYZCDQHQDQHP-CRAIPNDOSA-N 1 0 361.486 2.566 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCOCC1 ZINC000158108651 508658611 /nfs/dbraw/zinc/65/86/11/508658611.db2.gz ULXBUADCOYKGBL-INIZCTEOSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@H](C1CC1)N(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000154091181 508715658 /nfs/dbraw/zinc/71/56/58/508715658.db2.gz QYXBFZVDGUKVHZ-QGZVFWFLSA-N 1 0 371.525 2.745 20 10 FFCDRO CCC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1O ZINC000124045016 508775426 /nfs/dbraw/zinc/77/54/26/508775426.db2.gz USEAAWDOUCBLKS-UHFFFAOYSA-N 1 0 358.486 2.683 20 10 FFCDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000159898945 508908378 /nfs/dbraw/zinc/90/83/78/508908378.db2.gz GPCKXACXZKNIFY-UHFFFAOYSA-N 1 0 364.486 2.880 20 10 FFCDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160102333 508938980 /nfs/dbraw/zinc/93/89/80/508938980.db2.gz FLZWQCWIILFAEG-AWEZNQCLSA-N 1 0 350.459 2.538 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121412357 509172636 /nfs/dbraw/zinc/17/26/36/509172636.db2.gz WYBNURQOKKJBKX-NJYVYQBISA-N 1 0 356.510 2.943 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCC(F)(F)F)CC2)cc1 ZINC000173133943 509412008 /nfs/dbraw/zinc/41/20/08/509412008.db2.gz YNYSMRNAZOKEBA-UHFFFAOYSA-N 1 0 373.419 2.666 20 10 FFCDRO c1ccc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000236704169 509485947 /nfs/dbraw/zinc/48/59/47/509485947.db2.gz NLXGUAMDTDONCL-UHFFFAOYSA-N 1 0 352.482 2.677 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000176680447 509638667 /nfs/dbraw/zinc/63/86/67/509638667.db2.gz LUGKJVUTHINYOK-OAHLLOKOSA-N 1 0 353.422 2.507 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc(Br)ccc2O)CC1)C1CC1 ZINC000179909729 509669215 /nfs/dbraw/zinc/66/92/15/509669215.db2.gz FTBUBSFBVXBTJD-UHFFFAOYSA-N 1 0 353.260 2.645 20 10 FFCDRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186377117 509677368 /nfs/dbraw/zinc/67/73/68/509677368.db2.gz QDJHYGHXZPRKAR-ZDUSSCGKSA-N 1 0 358.479 2.632 20 10 FFCDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000183714510 509941215 /nfs/dbraw/zinc/94/12/15/509941215.db2.gz IWMJOBPYZNWCNP-CQSZACIVSA-N 1 0 366.477 2.997 20 10 FFCDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180719178 510070372 /nfs/dbraw/zinc/07/03/72/510070372.db2.gz CFWWHLNCODNSNI-VQHVLOKHSA-N 1 0 358.413 2.841 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000184699650 510471824 /nfs/dbraw/zinc/47/18/24/510471824.db2.gz BMCICEYGWLCTIA-UHFFFAOYSA-N 1 0 368.890 2.926 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1O ZINC000184703003 510472824 /nfs/dbraw/zinc/47/28/24/510472824.db2.gz BQZQMMCIZRUQNE-SJCJKPOMSA-N 1 0 365.861 2.733 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269599901 510478163 /nfs/dbraw/zinc/47/81/63/510478163.db2.gz KNADSYKQCNMXLR-FQEVSTJZSA-N 1 0 357.498 2.546 20 10 FFCDRO COCCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185144563 510710230 /nfs/dbraw/zinc/71/02/30/510710230.db2.gz NGZZYXFYKYRPNF-LBPRGKRZSA-N 1 0 357.292 2.916 20 10 FFCDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccccc1O ZINC000185349381 510818213 /nfs/dbraw/zinc/81/82/13/510818213.db2.gz XZMPUEBMLBNFAZ-LPHOPBHVSA-N 1 0 354.450 2.513 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000275327634 510872081 /nfs/dbraw/zinc/87/20/81/510872081.db2.gz MGVLOISSLKHFJD-HZMBPMFUSA-N 1 0 354.248 2.581 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000285380045 510883077 /nfs/dbraw/zinc/88/30/77/510883077.db2.gz CNEXABVJNSKVDC-UHFFFAOYSA-N 1 0 372.513 2.923 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000279303524 511038248 /nfs/dbraw/zinc/03/82/48/511038248.db2.gz ZREORUHKNXFDKX-HFSMHLIXSA-N 1 0 373.541 2.991 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1O ZINC000287238328 511045257 /nfs/dbraw/zinc/04/52/57/511045257.db2.gz YQSVVRGBSMQOKR-GHMZBOCLSA-N 1 0 362.289 2.630 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCCN2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000279544254 511121508 /nfs/dbraw/zinc/12/15/08/511121508.db2.gz APOQIEFDYQHHEF-UHFFFAOYSA-N 1 0 359.436 2.708 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)c1O ZINC000362039694 511121907 /nfs/dbraw/zinc/12/19/07/511121907.db2.gz OFPXKPJYWBQECO-OAHLLOKOSA-N 1 0 359.857 2.821 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1)C1CCCCC1 ZINC000282870156 511141494 /nfs/dbraw/zinc/14/14/94/511141494.db2.gz ZJEXVUXEBAGKIO-HXUWFJFHSA-N 1 0 359.514 2.826 20 10 FFCDRO COc1ccc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000271468874 511215470 /nfs/dbraw/zinc/21/54/70/511215470.db2.gz VJDSNZICVMSFDI-UHFFFAOYSA-N 1 0 364.467 2.544 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(O)c1 ZINC000294912126 511218734 /nfs/dbraw/zinc/21/87/34/511218734.db2.gz WPDVMLXNKCSPCW-KBPBESRZSA-N 1 0 369.508 2.556 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271621743 511266338 /nfs/dbraw/zinc/26/63/38/511266338.db2.gz BSENAYGDDBBOPB-RDJZCZTQSA-N 1 0 364.461 2.999 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000295149606 511300271 /nfs/dbraw/zinc/30/02/71/511300271.db2.gz BHYDBUBUQDISCW-LJQANCHMSA-N 1 0 371.525 2.746 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000272360194 511491582 /nfs/dbraw/zinc/49/15/82/511491582.db2.gz SBUPUPYUCSVPPS-LPMFXHHGSA-N 1 0 351.466 2.573 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273298395 511521738 /nfs/dbraw/zinc/52/17/38/511521738.db2.gz ASPVUAQCCRMQGY-OAHLLOKOSA-N 1 0 370.449 2.866 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273430972 511526672 /nfs/dbraw/zinc/52/66/72/511526672.db2.gz LBDTVZIFNHXDIX-ZDUSSCGKSA-N 1 0 364.423 2.733 20 10 FFCDRO COc1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)cc1O ZINC000299275428 511574828 /nfs/dbraw/zinc/57/48/28/511574828.db2.gz KKVWZSQZJOSKCE-XNTDXEJSSA-N 1 0 364.492 2.696 20 10 FFCDRO COCCOC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000296291420 511687531 /nfs/dbraw/zinc/68/75/31/511687531.db2.gz LVARHNGASLFJRE-PXNSSMCTSA-N 1 0 359.466 2.979 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1O ZINC000363868498 511819503 /nfs/dbraw/zinc/81/95/03/511819503.db2.gz NJXIMQRITMRWBG-YPMHNXCESA-N 1 0 365.275 2.818 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1OC ZINC000373719875 512472182 /nfs/dbraw/zinc/47/21/82/512472182.db2.gz MZZXOEXISLWCMN-BIENJYKASA-N 1 0 351.443 2.568 20 10 FFCDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C[C@H](C)O2 ZINC000373979545 512604300 /nfs/dbraw/zinc/60/43/00/512604300.db2.gz XXXAYBUOQTUQDM-LVCYWYKZSA-N 1 0 360.498 2.682 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3OC)CC2)cc1 ZINC000378163301 512620127 /nfs/dbraw/zinc/62/01/27/512620127.db2.gz BXEXTKNZWQHWHT-FQEVSTJZSA-N 1 0 356.466 2.996 20 10 FFCDRO COc1ccc(O)c(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000369912886 512679059 /nfs/dbraw/zinc/67/90/59/512679059.db2.gz MDKITZJBTGGDKF-UHFFFAOYSA-N 1 0 355.438 2.637 20 10 FFCDRO CN1CCCc2cc(CNC(=O)c3cccn3C3CC[NH2+]CC3)ccc21 ZINC000372098470 512715339 /nfs/dbraw/zinc/71/53/39/512715339.db2.gz JYZJPAYGIDZIGX-UHFFFAOYSA-N 1 0 352.482 2.725 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000374546373 512884292 /nfs/dbraw/zinc/88/42/92/512884292.db2.gz UGMIWZUYQDQBAY-LBPRGKRZSA-N 1 0 352.232 2.534 20 10 FFCDRO CO[C@@H](C)CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444137765 514132451 /nfs/dbraw/zinc/13/24/51/514132451.db2.gz FTDBTJXUWSOSLE-INIZCTEOSA-N 1 0 357.498 2.949 20 10 FFCDRO CO[C@H](C)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000461268079 514555462 /nfs/dbraw/zinc/55/54/62/514555462.db2.gz DLZLDVMVCFWMJY-HZPDHXFCSA-N 1 0 357.498 2.947 20 10 FFCDRO Cc1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000518183614 516569057 /nfs/dbraw/zinc/56/90/57/516569057.db2.gz IYADBNBGLUUZCR-UHFFFAOYSA-N 1 0 368.462 2.989 20 10 FFCDRO COC[C@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)COc2ccccc2C1 ZINC000528746750 516666991 /nfs/dbraw/zinc/66/69/91/516666991.db2.gz KFURKRGFOMOJRW-FQEVSTJZSA-N 1 0 359.397 2.844 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CO[C@H](C)C2)C1 ZINC000566269930 519404101 /nfs/dbraw/zinc/40/41/01/519404101.db2.gz DFTZMZBGXGJDJA-HZPDHXFCSA-N 1 0 355.482 2.701 20 10 FFCDRO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccc(OC(F)(F)F)c1 ZINC000592522602 520435942 /nfs/dbraw/zinc/43/59/42/520435942.db2.gz ATSCASULYMYGSQ-LLVKDONJSA-N 1 0 368.359 2.894 20 10 FFCDRO Cc1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826298220 608583307 /nfs/dbraw/zinc/58/33/07/608583307.db2.gz JHKBGVAVSFAUGW-UHFFFAOYSA-N 1 0 365.437 2.924 20 10 FFCDRO CCN(C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1)S(C)(=O)=O ZINC000160167783 728918500 /nfs/dbraw/zinc/91/85/00/728918500.db2.gz KFVXYWMETOTSEA-UHFFFAOYSA-N 1 0 366.527 2.517 20 10 FFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162478422 728945916 /nfs/dbraw/zinc/94/59/16/728945916.db2.gz ONWCMJWLZLUSNE-LJQANCHMSA-N 1 0 361.511 2.772 20 10 FFCDRO CCc1nsc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)n1 ZINC000743396486 735295657 /nfs/dbraw/zinc/29/56/57/735295657.db2.gz DCZHSGOSJLOOKF-UHFFFAOYSA-N 1 0 355.467 2.677 20 10 FFCDRO Cn1cc([C@@]2(C[NH2+]Cc3c(O)cccc3Br)CCCO2)cn1 ZINC000898051294 735307478 /nfs/dbraw/zinc/30/74/78/735307478.db2.gz BGOZWFKQFHLDRP-INIZCTEOSA-N 1 0 366.259 2.684 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1Cl ZINC000898371827 735349827 /nfs/dbraw/zinc/34/98/27/735349827.db2.gz JNHOHONFPFAEOG-LLVKDONJSA-N 1 0 369.252 2.872 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000745812229 735445511 /nfs/dbraw/zinc/44/55/11/735445511.db2.gz ROKAIJOZHOXLJO-ZBFHGGJFSA-N 1 0 350.482 2.954 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(F)(F)F)cc2F)CC1 ZINC000080102957 728322016 /nfs/dbraw/zinc/32/20/16/728322016.db2.gz ROGYFJQWTQLIRV-UHFFFAOYSA-N 1 0 361.383 2.926 20 10 FFCDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000119466107 728594868 /nfs/dbraw/zinc/59/48/68/728594868.db2.gz TZARLVDEGBKWIS-NSHDSACASA-N 1 0 354.859 2.886 20 10 FFCDRO O=C(C1CC[NH+](Cc2cc(Br)ccc2O)CC1)N1CCCC1 ZINC000122445420 728647616 /nfs/dbraw/zinc/64/76/16/728647616.db2.gz KOAAYVJPZPNJKL-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000165422321 728973044 /nfs/dbraw/zinc/97/30/44/728973044.db2.gz BENZSLKRTLRRAG-WMZOPIPTSA-N 1 0 361.555 2.882 20 10 FFCDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000186858531 729369764 /nfs/dbraw/zinc/36/97/64/729369764.db2.gz NEPACPSFWQJWNO-OAHLLOKOSA-N 1 0 372.506 2.528 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000194296627 729506308 /nfs/dbraw/zinc/50/63/08/729506308.db2.gz GWIPRUGCSPETIQ-UHFFFAOYSA-N 1 0 359.539 2.730 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3Cl)cc2)C1 ZINC000858104350 730416664 /nfs/dbraw/zinc/41/66/64/730416664.db2.gz HKQBGZKDOPZTRX-MRXNPFEDSA-N 1 0 358.873 2.727 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000858129924 730417385 /nfs/dbraw/zinc/41/73/85/730417385.db2.gz SHIOIQZGLPGRDD-UHFFFAOYSA-N 1 0 369.303 2.889 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)[C@@H]1n1cccn1 ZINC000858170001 730418528 /nfs/dbraw/zinc/41/85/28/730418528.db2.gz HPUQJQZZVBWPHG-BMFZPTHFSA-N 1 0 366.259 2.860 20 10 FFCDRO CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1O ZINC000858465895 730426518 /nfs/dbraw/zinc/42/65/18/730426518.db2.gz PHRXTOONYUKNFY-QFBILLFUSA-N 1 0 368.905 2.702 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccc(Br)cc1O ZINC000858602680 730429728 /nfs/dbraw/zinc/42/97/28/730429728.db2.gz GIFZPKFMFCYNFU-QMTHXVAHSA-N 1 0 353.260 2.959 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000862239022 730680026 /nfs/dbraw/zinc/68/00/26/730680026.db2.gz RYLBYUDVBOZYNM-CQSZACIVSA-N 1 0 369.303 2.841 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC(F)(F)C1 ZINC000862294406 730686296 /nfs/dbraw/zinc/68/62/96/730686296.db2.gz IFKWYCVEQQWHMN-ZFWWWQNUSA-N 1 0 351.441 2.912 20 10 FFCDRO CN1CCC2(CC[NH+](Cc3c(O)cccc3Br)CC2)C1=O ZINC000862350307 730690542 /nfs/dbraw/zinc/69/05/42/730690542.db2.gz PQXDTCRUBNJQGJ-UHFFFAOYSA-N 1 0 353.260 2.599 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000862385023 730695374 /nfs/dbraw/zinc/69/53/74/730695374.db2.gz NUPHIGMQBACICD-YWPYICTPSA-N 1 0 356.260 2.517 20 10 FFCDRO Cc1cc(O)c(C[N@H+](C)CCOCCNC(=O)OC(C)(C)C)cc1C ZINC000862526170 730706423 /nfs/dbraw/zinc/70/64/23/730706423.db2.gz OJOHPVYODBJGQP-UHFFFAOYSA-N 1 0 352.475 2.982 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc([C@H]4CCCO4)s3)cc2)CC1 ZINC000865295421 730936225 /nfs/dbraw/zinc/93/62/25/730936225.db2.gz DYKKHZVELGCDRL-MRXNPFEDSA-N 1 0 359.499 2.754 20 10 FFCDRO CNS(=O)(=O)CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000866458031 731062673 /nfs/dbraw/zinc/06/26/73/731062673.db2.gz XKDSANYEIDIZLN-SFHVURJKSA-N 1 0 362.495 2.595 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1O ZINC000872150296 731734526 /nfs/dbraw/zinc/73/45/26/731734526.db2.gz ZHYAPXLIESRIEJ-MFKMUULPSA-N 1 0 350.768 2.817 20 10 FFCDRO C[NH+](C)CC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000925916488 738544205 /nfs/dbraw/zinc/54/42/05/738544205.db2.gz YDJKMNIOCQICPE-MRXNPFEDSA-N 1 0 362.861 2.933 20 10 FFCDRO CCCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1C ZINC000873073917 731871743 /nfs/dbraw/zinc/87/17/43/731871743.db2.gz GOQRPTLHYZMLPL-UHFFFAOYSA-N 1 0 366.527 2.830 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1Cn1cccn1 ZINC000873135670 731879635 /nfs/dbraw/zinc/87/96/35/731879635.db2.gz KZSXIMIVLSEFNK-FUMQJTLXSA-N 1 0 361.511 2.719 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C12CCC[NH+](CCC1)C2 ZINC000874082625 732007319 /nfs/dbraw/zinc/00/73/19/732007319.db2.gz YCUCNVAADILTDL-UHFFFAOYSA-N 1 0 359.539 2.732 20 10 FFCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000876583961 732258960 /nfs/dbraw/zinc/25/89/60/732258960.db2.gz CDGLCOCDZPEPQV-UHFFFAOYSA-N 1 0 361.511 2.811 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c1O ZINC000877680173 732412290 /nfs/dbraw/zinc/41/22/90/732412290.db2.gz UUEQTZKVUJICRQ-UHFFFAOYSA-N 1 0 360.841 2.640 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O)c1ccccc1O ZINC000879649091 732742507 /nfs/dbraw/zinc/74/25/07/732742507.db2.gz ICKIOGLFLFLWIM-NRXGSXMXSA-N 1 0 350.459 2.803 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000926999149 738680140 /nfs/dbraw/zinc/68/01/40/738680140.db2.gz IHVJOCXWQQGVCD-SNVBAGLBSA-N 1 0 372.259 2.967 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ncsc3C3CC3)cc2)CC1 ZINC000881849895 733120192 /nfs/dbraw/zinc/12/01/92/733120192.db2.gz UPPVGGXOOBFPLL-UHFFFAOYSA-N 1 0 356.495 2.702 20 10 FFCDRO C[NH+](C)CCn1ccc(NCc2cc(Br)cc(F)c2O)n1 ZINC000883037922 733324573 /nfs/dbraw/zinc/32/45/73/733324573.db2.gz PWVMSVHMDPBEJW-UHFFFAOYSA-N 1 0 357.227 2.664 20 10 FFCDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(Br)ccc1O ZINC000883308692 733366638 /nfs/dbraw/zinc/36/66/38/733366638.db2.gz VUAILOPIIFGNNV-CMPLNLGQSA-N 1 0 362.289 2.773 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000886670629 733814834 /nfs/dbraw/zinc/81/48/34/733814834.db2.gz SSRJHVQWIUMZTQ-WCFLWFBJSA-N 1 0 374.275 2.744 20 10 FFCDRO Cc1nc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)s1 ZINC000891253137 734405385 /nfs/dbraw/zinc/40/53/85/734405385.db2.gz RBDQHLDUETWAGT-GOSISDBHSA-N 1 0 360.527 2.788 20 10 FFCDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000891368621 734420230 /nfs/dbraw/zinc/42/02/30/734420230.db2.gz GFGKZFTUVZMTNS-GOSISDBHSA-N 1 0 362.543 2.523 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000783724899 738829621 /nfs/dbraw/zinc/82/96/21/738829621.db2.gz XZQBTYZYIAHACK-CYBMUJFWSA-N 1 0 371.319 2.740 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c(O)c1OC ZINC000894760783 734912129 /nfs/dbraw/zinc/91/21/29/734912129.db2.gz MKOAIVSVDMKMGM-LBPRGKRZSA-N 1 0 362.392 2.725 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cn2)c(O)c1OC ZINC000895839970 735063130 /nfs/dbraw/zinc/06/31/30/735063130.db2.gz LICYORXVAHDOAH-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)COC(=O)N1 ZINC000896393053 735152351 /nfs/dbraw/zinc/15/23/51/735152351.db2.gz ILCHBBFUTNLZRL-LRDDRELGSA-N 1 0 369.259 2.865 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCS1 ZINC000896705494 735180666 /nfs/dbraw/zinc/18/06/66/735180666.db2.gz MNFOSNLWQDRQFZ-QGPMSJSTSA-N 1 0 364.559 2.939 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000897240036 735209851 /nfs/dbraw/zinc/20/98/51/735209851.db2.gz WMLCJZZEMAQBTR-UHFFFAOYSA-N 1 0 355.257 2.974 20 10 FFCDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1=O ZINC000903390044 736086194 /nfs/dbraw/zinc/08/61/94/736086194.db2.gz XXISSJLDFBHNQX-GXFFZTMASA-N 1 0 371.275 2.825 20 10 FFCDRO COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756407860 736328531 /nfs/dbraw/zinc/32/85/31/736328531.db2.gz FWIVYKRYBIAQCZ-NSHDSACASA-N 1 0 363.271 2.913 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756484363 736335589 /nfs/dbraw/zinc/33/55/89/736335589.db2.gz VGRCSVSTTCXXGM-DOMZBBRYSA-N 1 0 364.442 2.648 20 10 FFCDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000764639913 737037556 /nfs/dbraw/zinc/03/75/56/737037556.db2.gz TZXXHHNUEKHORZ-AWEZNQCLSA-N 1 0 365.905 2.838 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000764759277 737046538 /nfs/dbraw/zinc/04/65/38/737046538.db2.gz WYQXSHVXWWNQSF-UHFFFAOYSA-N 1 0 370.291 2.828 20 10 FFCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765332680 737109554 /nfs/dbraw/zinc/10/95/54/737109554.db2.gz JFOQYHZTFILHHH-CQSZACIVSA-N 1 0 353.894 2.696 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000765445422 737119572 /nfs/dbraw/zinc/11/95/72/737119572.db2.gz SMEKFEYVNLRPDE-STQMWFEESA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765728613 737149694 /nfs/dbraw/zinc/14/96/94/737149694.db2.gz MWLYTHWRUGQFOE-HOTGVXAUSA-N 1 0 367.921 2.548 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccccc3C)c2)CC1 ZINC000769847427 737573539 /nfs/dbraw/zinc/57/35/39/737573539.db2.gz HRYHZRCIZHYAEJ-UHFFFAOYSA-N 1 0 359.495 2.938 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000773018179 737864004 /nfs/dbraw/zinc/86/40/04/737864004.db2.gz VFNYBZZGNYWGOC-WDYCEAGBSA-N 1 0 366.527 2.530 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000920957082 737936543 /nfs/dbraw/zinc/93/65/43/737936543.db2.gz CGMNLOVZHDNNTP-LJQANCHMSA-N 1 0 358.555 2.892 20 10 FFCDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000921738252 738035570 /nfs/dbraw/zinc/03/55/70/738035570.db2.gz PLBFRFSHNIFSEB-FUHWJXTLSA-N 1 0 368.568 2.685 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000775720668 738117514 /nfs/dbraw/zinc/11/75/14/738117514.db2.gz OIQIKYZNJHAOCD-RHSMWYFYSA-N 1 0 357.420 2.590 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000776220292 738172515 /nfs/dbraw/zinc/17/25/15/738172515.db2.gz KIDHZNDEZANHCL-FZQKWOKYSA-N 1 0 353.260 2.562 20 10 FFCDRO COc1cccc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1O ZINC000922802838 738203151 /nfs/dbraw/zinc/20/31/51/738203151.db2.gz QOPGWCDXTFVBAZ-UHFFFAOYSA-N 1 0 352.232 2.639 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)cc1F ZINC000776940575 738246910 /nfs/dbraw/zinc/24/69/10/738246910.db2.gz ZESBOHITNQWFQH-HNNXBMFYSA-N 1 0 363.864 2.979 20 10 FFCDRO COC(C)(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787444731 739137157 /nfs/dbraw/zinc/13/71/57/739137157.db2.gz JAQWWEHNRAKERP-HNNXBMFYSA-N 1 0 354.878 2.941 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000788668415 739270837 /nfs/dbraw/zinc/27/08/37/739270837.db2.gz KPMOJWDAVVCTSE-AWEZNQCLSA-N 1 0 352.500 2.616 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+](CCCCO)CC2)c(C(F)(F)F)c1 ZINC000792818700 739709667 /nfs/dbraw/zinc/70/96/67/739709667.db2.gz DMLNWIAWMVUJDK-UHFFFAOYSA-N 1 0 359.436 2.662 20 10 FFCDRO CN(C)c1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C(F)(F)F)c1 ZINC000792971016 739725100 /nfs/dbraw/zinc/72/51/00/739725100.db2.gz XTRMNBQPLFJTQB-JKSUJKDBSA-N 1 0 357.420 2.724 20 10 FFCDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793010722 739730820 /nfs/dbraw/zinc/73/08/20/739730820.db2.gz RMWDHMBGIAYQEM-LLVKDONJSA-N 1 0 352.422 2.684 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCN2CCOCC2(C)C)c(C(F)(F)F)c1 ZINC000793043520 739734182 /nfs/dbraw/zinc/73/41/82/739734182.db2.gz ABTIXNUZSHZXAO-UHFFFAOYSA-N 1 0 359.436 2.972 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000796528264 740150035 /nfs/dbraw/zinc/15/00/35/740150035.db2.gz FTCDFLQYWRIACJ-RYUDHWBXSA-N 1 0 360.483 2.788 20 10 FFCDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c(O)cccc2OC)s1 ZINC000796533607 740150709 /nfs/dbraw/zinc/15/07/09/740150709.db2.gz VVUYRWJKKFLREV-MNOVXSKESA-N 1 0 364.471 2.568 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000799159620 740394617 /nfs/dbraw/zinc/39/46/17/740394617.db2.gz JSGNPSPEZPLVQR-IBGZPJMESA-N 1 0 351.443 2.501 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)cc1C ZINC000801734849 740646399 /nfs/dbraw/zinc/64/63/99/740646399.db2.gz KITAKTVJVFGQGX-MRXNPFEDSA-N 1 0 362.495 2.850 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805099974 740938139 /nfs/dbraw/zinc/93/81/39/740938139.db2.gz PLDSVLQGKFTJKS-CQSZACIVSA-N 1 0 370.291 2.828 20 10 FFCDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139070 741043185 /nfs/dbraw/zinc/04/31/85/741043185.db2.gz IDSXGRDFSCBHPI-ROUUACIJSA-N 1 0 350.528 2.836 20 10 FFCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000808726229 741255504 /nfs/dbraw/zinc/25/55/04/741255504.db2.gz UTAQQMJQRMEBCX-JTQLQIEISA-N 1 0 350.278 2.629 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)ccc2O)cc1O ZINC000809748533 741339360 /nfs/dbraw/zinc/33/93/60/741339360.db2.gz UMTOPXURZMBXEZ-ZDUSSCGKSA-N 1 0 351.830 2.701 20 10 FFCDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816608659 742046760 /nfs/dbraw/zinc/04/67/60/742046760.db2.gz GGHROYBAHQFRJU-QAPCUYQASA-N 1 0 362.495 2.743 20 10 FFCDRO CN(C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1)S(C)(=O)=O ZINC000816607719 742046866 /nfs/dbraw/zinc/04/68/66/742046866.db2.gz CSORIDZJAHLDHM-HNNXBMFYSA-N 1 0 362.495 2.649 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000818965484 742316892 /nfs/dbraw/zinc/31/68/92/742316892.db2.gz AVGKSNAKQNCFOV-BZPMIXESSA-N 1 0 364.383 2.842 20 10 FFCDRO O=C(/C=C/[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000819398841 742385581 /nfs/dbraw/zinc/38/55/81/742385581.db2.gz QANYADIMIVUJGS-WRBKUFGZSA-N 1 0 364.873 2.861 20 10 FFCDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000819605187 742413806 /nfs/dbraw/zinc/41/38/06/742413806.db2.gz GJVJAWUEZYJAFG-MRXNPFEDSA-N 1 0 363.527 2.978 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)c(C(F)(F)F)c1 ZINC000824564321 743106147 /nfs/dbraw/zinc/10/61/47/743106147.db2.gz IVKPXVBQMYJQTN-INIZCTEOSA-N 1 0 359.436 2.708 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1Cl ZINC000824701717 743130449 /nfs/dbraw/zinc/13/04/49/743130449.db2.gz FNKHVVQYMWRHOH-MRXNPFEDSA-N 1 0 352.862 2.567 20 10 FFCDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)cn1 ZINC000824913654 743177536 /nfs/dbraw/zinc/17/75/36/743177536.db2.gz WCFIDZFHTMGJKX-GFCCVEGCSA-N 1 0 350.260 2.953 20 10 FFCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124675 743214106 /nfs/dbraw/zinc/21/41/06/743214106.db2.gz VUYIRQIBEQAMLU-QPUJVOFHSA-N 1 0 354.166 2.900 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccccc1Br)OCO2 ZINC000825337694 743250828 /nfs/dbraw/zinc/25/08/28/743250828.db2.gz IFYOWXYLIUQPJY-CQSZACIVSA-N 1 0 366.211 2.707 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825509692 743284397 /nfs/dbraw/zinc/28/43/97/743284397.db2.gz PWGMRAVBHUOYRI-UHFFFAOYSA-N 1 0 360.907 2.505 20 10 FFCDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(C)(C)CO ZINC000826049753 743361849 /nfs/dbraw/zinc/36/18/49/743361849.db2.gz YWMBQKYQDWEYGV-CQSZACIVSA-N 1 0 368.275 2.738 20 10 FFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827319992 743554404 /nfs/dbraw/zinc/55/44/04/743554404.db2.gz CAZAQJAEWOVWGK-IBGZPJMESA-N 1 0 355.507 2.864 20 10 FFCDRO C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C[NH+]1CCCC1 ZINC000827365084 743563474 /nfs/dbraw/zinc/56/34/74/743563474.db2.gz ORURFJSQRDQQFQ-CQSZACIVSA-N 1 0 358.511 2.778 20 10 FFCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@](C)(C(F)F)O1 ZINC000827955261 745007312 /nfs/dbraw/zinc/00/73/12/745007312.db2.gz CMUWLJAUHCKPJG-DNVCBOLYSA-N 1 0 353.457 2.683 20 10 FFCDRO CO[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544640 745377978 /nfs/dbraw/zinc/37/79/78/745377978.db2.gz SDNYRYHXIIEFOA-XOKHGSTOSA-N 1 0 366.889 2.941 20 10 FFCDRO [NH3+][C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000830664618 745400260 /nfs/dbraw/zinc/40/02/60/745400260.db2.gz KUEPMFUCZSRWHL-CJNGLKHVSA-N 1 0 353.413 2.500 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc(C(F)(F)F)n2)cc1 ZINC000832285441 745671878 /nfs/dbraw/zinc/67/18/78/745671878.db2.gz QOTDSTZCIKCYLO-NSHDSACASA-N 1 0 358.389 2.658 20 10 FFCDRO CSc1ccc([C@@H](CNC(=O)c2c(F)ccc(O)c2O)[NH+](C)C)cc1 ZINC000832932899 745766420 /nfs/dbraw/zinc/76/64/20/745766420.db2.gz CKHNRAAOEFXDDG-CQSZACIVSA-N 1 0 364.442 2.992 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000834437533 745837855 /nfs/dbraw/zinc/83/78/55/745837855.db2.gz DFSGAYMHQLDCCF-UHFFFAOYSA-N 1 0 356.495 2.532 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCc3cccc(O)c32)c(C)s1 ZINC000834689064 745883509 /nfs/dbraw/zinc/88/35/09/745883509.db2.gz IUAHEOXOVQSGSD-AWEZNQCLSA-N 1 0 366.508 2.626 20 10 FFCDRO C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(F)ccc1O ZINC000834841163 745912486 /nfs/dbraw/zinc/91/24/86/745912486.db2.gz QXPRIONLWPPFIE-JTQLQIEISA-N 1 0 355.207 2.806 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834879072 745917657 /nfs/dbraw/zinc/91/76/57/745917657.db2.gz PPCLNFHZFBEVKX-NVXWUHKLSA-N 1 0 353.532 2.655 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1O ZINC000834892915 745921123 /nfs/dbraw/zinc/92/11/23/745921123.db2.gz XKOKTWFVFGZUJM-HNNXBMFYSA-N 1 0 361.891 2.680 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835035617 745935590 /nfs/dbraw/zinc/93/55/90/745935590.db2.gz LOPOKXLXDJYCSO-AATRIKPKSA-N 1 0 365.543 2.560 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000835042899 745938554 /nfs/dbraw/zinc/93/85/54/745938554.db2.gz LMHSAAUGLBIYEM-ONEGZZNKSA-N 1 0 356.491 2.885 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1SC ZINC000839146141 746788334 /nfs/dbraw/zinc/78/83/34/746788334.db2.gz XOPDYLUKPCYOJL-LZLYRXPVSA-N 1 0 372.481 2.800 20 10 FFCDRO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000839149747 746788762 /nfs/dbraw/zinc/78/87/62/746788762.db2.gz VGFVOJIIRBMWBA-ZDUSSCGKSA-N 1 0 364.467 2.550 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c(Cl)c1 ZINC000840897355 747218438 /nfs/dbraw/zinc/21/84/38/747218438.db2.gz SCQOBWVPGIQAKS-AWEZNQCLSA-N 1 0 363.767 2.627 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000840973553 747247714 /nfs/dbraw/zinc/24/77/14/747247714.db2.gz PLDXIDCHIPUSCE-UHFFFAOYSA-N 1 0 352.422 2.686 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841335431 747318979 /nfs/dbraw/zinc/31/89/79/747318979.db2.gz PUVKMTHNBMTZDG-CQSZACIVSA-N 1 0 364.387 2.751 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000841798415 747463059 /nfs/dbraw/zinc/46/30/59/747463059.db2.gz IQYKHYHHLFBLJN-GDBMZVCRSA-N 1 0 350.482 2.941 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C[NH2+]C)C2)cc1F ZINC000841799006 747463727 /nfs/dbraw/zinc/46/37/27/747463727.db2.gz ONXRKAVZODRVEX-MRXNPFEDSA-N 1 0 350.482 2.813 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000841799584 747464288 /nfs/dbraw/zinc/46/42/88/747464288.db2.gz YAHZTOHGZIRHNU-GOEBONIOSA-N 1 0 350.482 2.859 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000841849690 747475793 /nfs/dbraw/zinc/47/57/93/747475793.db2.gz GWKIKEBLPCQEKT-IMJJTQAJSA-N 1 0 356.495 2.516 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000842170947 747538735 /nfs/dbraw/zinc/53/87/35/747538735.db2.gz OXOYRMMUPIRWON-IBGZPJMESA-N 1 0 361.555 2.929 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2(C)CCCCC2)cc1 ZINC000842784433 747687462 /nfs/dbraw/zinc/68/74/62/747687462.db2.gz FAIRWPNJIHATCT-KRWDZBQOSA-N 1 0 353.532 2.642 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000843350349 747814959 /nfs/dbraw/zinc/81/49/59/747814959.db2.gz NLZPRWOKFRTAIE-HNNXBMFYSA-N 1 0 355.404 2.699 20 10 FFCDRO CC[C@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843484972 747843625 /nfs/dbraw/zinc/84/36/25/747843625.db2.gz XKGDEVSMGUGMJD-ZDUSSCGKSA-N 1 0 365.275 2.719 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000844410556 748024924 /nfs/dbraw/zinc/02/49/24/748024924.db2.gz XJLVDJHEHDCTCS-UHFFFAOYSA-N 1 0 351.441 2.832 20 10 FFCDRO C[C@@H]1CN(C(C)(C)CNC(=O)NCc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000844867699 748119852 /nfs/dbraw/zinc/11/98/52/748119852.db2.gz QBDYXELZHOFWQW-BETUJISGSA-N 1 0 369.893 2.733 20 10 FFCDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000844903447 748132949 /nfs/dbraw/zinc/13/29/49/748132949.db2.gz ZFPLKQRMWHSFTQ-BJJXKVORSA-N 1 0 369.303 2.873 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000846697699 748525312 /nfs/dbraw/zinc/52/53/12/748525312.db2.gz UXLKAJSUYYMGSX-GOSISDBHSA-N 1 0 361.873 2.943 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000848394578 748918430 /nfs/dbraw/zinc/91/84/30/748918430.db2.gz RQMUSJIRFBSSFQ-HNNXBMFYSA-N 1 0 352.360 2.596 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000848523477 748948926 /nfs/dbraw/zinc/94/89/26/748948926.db2.gz GXEPVMGCUKEUQW-QUBYGPBYSA-N 1 0 358.154 2.737 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCOC2=O)c1O ZINC000848524722 748949142 /nfs/dbraw/zinc/94/91/42/748949142.db2.gz LNYVQRLPWSPOSS-SNVBAGLBSA-N 1 0 373.247 2.656 20 10 FFCDRO CCc1cccc(C[NH+]2CCC(N(CCOC)CCOC)CC2)c1O ZINC000848911502 749033206 /nfs/dbraw/zinc/03/32/06/749033206.db2.gz WEUIDQRRNYFABZ-UHFFFAOYSA-N 1 0 350.503 2.514 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cnn3c2CCC3)C1 ZINC000850137721 749309778 /nfs/dbraw/zinc/30/97/78/749309778.db2.gz UXUBOUJOWSDGHL-QGZVFWFLSA-N 1 0 360.889 2.943 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850369083 749354249 /nfs/dbraw/zinc/35/42/49/749354249.db2.gz HEMVQNARTLONBV-JSGCOSHPSA-N 1 0 355.500 2.754 20 10 FFCDRO CCOCc1cc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)ccc1OC ZINC000850400935 749360013 /nfs/dbraw/zinc/36/00/13/749360013.db2.gz QQGBBWUFAMBBDK-HXUWFJFHSA-N 1 0 351.487 2.889 20 10 FFCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C ZINC000850507749 749377974 /nfs/dbraw/zinc/37/79/74/749377974.db2.gz POTZHAUOOUFAAC-MDZRGWNJSA-N 1 0 350.528 2.836 20 10 FFCDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000852413079 749854700 /nfs/dbraw/zinc/85/47/00/749854700.db2.gz OEBMMROUCLPFNA-CYBMUJFWSA-N 1 0 370.291 2.827 20 10 FFCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000852924594 749973302 /nfs/dbraw/zinc/97/33/02/749973302.db2.gz RNSWLGGHOADVJO-SNVBAGLBSA-N 1 0 365.275 2.589 20 10 FFCDRO COCC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000133825494 845656708 /nfs/dbraw/zinc/65/67/08/845656708.db2.gz HRTONOZXFDTNOU-HNNXBMFYSA-N 1 0 354.878 2.799 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3(C)CCCC3)CC2)cc1 ZINC000728741020 970898024 /nfs/dbraw/zinc/89/80/24/970898024.db2.gz KPBGOVCXJCVNRH-UHFFFAOYSA-N 1 0 374.529 2.839 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCOC(C)C)cc2F)CC1 ZINC000182626974 971046249 /nfs/dbraw/zinc/04/62/49/971046249.db2.gz DGCYGYCOTSZJIO-UHFFFAOYSA-N 1 0 365.493 2.789 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001275836763 1013056494 /nfs/dbraw/zinc/05/64/94/1013056494.db2.gz GLHFERDXAXEHOB-AUUYWEPGSA-N 1 0 366.889 2.895 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1=O ZINC001275837327 1013066295 /nfs/dbraw/zinc/06/62/95/1013066295.db2.gz HUPVCWYZGZHPKE-CYBMUJFWSA-N 1 0 364.873 2.838 20 10 FFCDRO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000189432422 971585059 /nfs/dbraw/zinc/58/50/59/971585059.db2.gz QARGNFDHHNEHMP-UHFFFAOYSA-N 1 0 359.445 2.685 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275893027 1013149977 /nfs/dbraw/zinc/14/99/77/1013149977.db2.gz NWIYFKOIUWMUGO-LRDDRELGSA-N 1 0 364.873 2.741 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000653134452 962142568 /nfs/dbraw/zinc/14/25/68/962142568.db2.gz AQQPXVXESBVXEQ-KBXCAEBGSA-N 1 0 355.482 2.643 20 10 FFCDRO CCn1nc(C2CC2)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891242418 962531282 /nfs/dbraw/zinc/53/12/82/962531282.db2.gz GFBGKQYLWHTYHP-HXUWFJFHSA-N 1 0 369.513 2.879 20 10 FFCDRO CCn1ncc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C1CC1 ZINC000891244284 962547039 /nfs/dbraw/zinc/54/70/39/962547039.db2.gz ZFBYUGXTWHQHRP-IBGZPJMESA-N 1 0 369.513 2.879 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891245944 962562172 /nfs/dbraw/zinc/56/21/72/962562172.db2.gz KMJUWYOCALTUEY-QGZVFWFLSA-N 1 0 374.416 2.833 20 10 FFCDRO C/C(=C\c1ccncc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246976 962569177 /nfs/dbraw/zinc/56/91/77/962569177.db2.gz RCCBXJAZGHBRDI-VISDOYDDSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2(c3cccnc3)CC2)[NH+](C)C)cc1 ZINC000891247974 962581173 /nfs/dbraw/zinc/58/11/73/962581173.db2.gz JBVQJMYOZOQECX-IBGZPJMESA-N 1 0 352.482 2.598 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)[NH+](C)C)cc1 ZINC000891248918 962588392 /nfs/dbraw/zinc/58/83/92/962588392.db2.gz OOTTYTAJJNZMDK-HBMCJLEFSA-N 1 0 367.493 2.981 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H](O)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000891251972 962599030 /nfs/dbraw/zinc/59/90/30/962599030.db2.gz IUFUNDMGSSYFFS-UXHICEINSA-N 1 0 373.472 2.734 20 10 FFCDRO CC(=O)c1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891252676 962604277 /nfs/dbraw/zinc/60/42/77/962604277.db2.gz MDFISYNNYATANP-FQEVSTJZSA-N 1 0 353.466 2.988 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCc2ccccn2)[NH+](C)C)cc1 ZINC000891253941 962610336 /nfs/dbraw/zinc/61/03/36/962610336.db2.gz VDRRLPPIXDZQPF-HXUWFJFHSA-N 1 0 354.498 2.889 20 10 FFCDRO CCOc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(SC)n1 ZINC001167427042 963029319 /nfs/dbraw/zinc/02/93/19/963029319.db2.gz VEBJMXOVFAFVST-UHFFFAOYSA-N 1 0 373.526 2.961 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)ccc2O)N1Cc1ccncc1 ZINC001276064980 1013393740 /nfs/dbraw/zinc/39/37/40/1013393740.db2.gz YQEIQNUTMSRWJL-QZTJIDSGSA-N 1 0 355.413 2.692 20 10 FFCDRO CC(=O)Nc1ncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC001167434380 963178083 /nfs/dbraw/zinc/17/80/83/963178083.db2.gz KYQHMVHBSAHPNI-UHFFFAOYSA-N 1 0 353.470 2.712 20 10 FFCDRO CN1c2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2CNC1=O ZINC001167437645 963283610 /nfs/dbraw/zinc/28/36/10/963283610.db2.gz WYSQTVURZOFULW-UHFFFAOYSA-N 1 0 365.481 2.710 20 10 FFCDRO C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000588405411 963605222 /nfs/dbraw/zinc/60/52/22/963605222.db2.gz OBHCJJLXCXUGBI-VIHMKRCTSA-N 1 0 352.434 2.674 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)cc1 ZINC000891489182 964381358 /nfs/dbraw/zinc/38/13/58/964381358.db2.gz PHHGRYOQTIRHEA-KRWDZBQOSA-N 1 0 374.529 2.741 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccnc1 ZINC000891594675 964535404 /nfs/dbraw/zinc/53/54/04/964535404.db2.gz NVYBACRWDYJISZ-KXBFYZLASA-N 1 0 355.486 2.811 20 10 FFCDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(N2CCOCC2)c(F)c1 ZINC000161065518 964837868 /nfs/dbraw/zinc/83/78/68/964837868.db2.gz XYFFTJVRAZGEPC-OAHLLOKOSA-N 1 0 369.444 2.598 20 10 FFCDRO COc1cccc([C@@H]2CN(Cc3ccc(OC)c(OC)c3O)CCO2)c1 ZINC000891930519 965427113 /nfs/dbraw/zinc/42/71/13/965427113.db2.gz XABGNYKBMIQDHC-SFHVURJKSA-N 1 0 359.422 2.992 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C(C)(C)C)CC2)cc1 ZINC000729475489 965937462 /nfs/dbraw/zinc/93/74/62/965937462.db2.gz WCMCFNDTDZBFTP-IBGZPJMESA-N 1 0 359.514 2.854 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cnn(C4CCC4)c3)cc2)CC1 ZINC000934300705 966240342 /nfs/dbraw/zinc/24/03/42/966240342.db2.gz DZUUCZXGEIYDEG-UHFFFAOYSA-N 1 0 368.485 2.682 20 10 FFCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000892256878 966396214 /nfs/dbraw/zinc/39/62/14/966396214.db2.gz DQRSFXKZXNXKQC-JVPBZIDWSA-N 1 0 369.465 2.907 20 10 FFCDRO C[NH+](C)CCn1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)cn1 ZINC001176445992 1013700249 /nfs/dbraw/zinc/70/02/49/1013700249.db2.gz SJWRIXYWFDLTHA-SBQQNHAOSA-N 1 0 350.430 2.712 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c(O)c1OC ZINC000895101113 967601525 /nfs/dbraw/zinc/60/15/25/967601525.db2.gz YUZDVQXZQSEOQI-CYBMUJFWSA-N 1 0 371.437 2.790 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000892348990 967646267 /nfs/dbraw/zinc/64/62/67/967646267.db2.gz ODRKDTIVYONPBK-UHFFFAOYSA-N 1 0 352.482 2.740 20 10 FFCDRO O=C(c1cc2cc(O)c(O)cc2[nH]1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001270954143 967869301 /nfs/dbraw/zinc/86/93/01/967869301.db2.gz VUPYRVOPPRNLFI-IRXDYDNUSA-N 1 0 355.438 2.811 20 10 FFCDRO O=c1cc[nH]c2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)ccc12 ZINC000895205019 968436354 /nfs/dbraw/zinc/43/63/54/968436354.db2.gz OQROAFIBBJAJTC-UHFFFAOYSA-N 1 0 363.461 2.779 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c2nccn21 ZINC000895217037 968487180 /nfs/dbraw/zinc/48/71/80/968487180.db2.gz YXCKCXIQNVRVLC-ZTFGCOKTSA-N 1 0 370.501 2.557 20 10 FFCDRO CCn1cc([C@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC000895249157 968753054 /nfs/dbraw/zinc/75/30/54/968753054.db2.gz PMFPLCQSQNGMIB-HNAYVOBHSA-N 1 0 372.517 2.632 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066185705 969287538 /nfs/dbraw/zinc/28/75/38/969287538.db2.gz GINCEOFWXXLMDX-LJQANCHMSA-N 1 0 374.554 2.620 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 ZINC000180218870 969515855 /nfs/dbraw/zinc/51/58/55/969515855.db2.gz CCUNFNCHCXFWPA-CYBMUJFWSA-N 1 0 362.376 2.964 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(O)c1OC ZINC000892669475 969756619 /nfs/dbraw/zinc/75/66/19/969756619.db2.gz YUWDEFMQWYPNMA-UHFFFAOYSA-N 1 0 358.438 2.536 20 10 FFCDRO COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068671 974068864 /nfs/dbraw/zinc/06/88/64/974068864.db2.gz PFCTYABXBUWBEV-RDJZCZTQSA-N 1 0 364.461 2.936 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3CCCCCC3)CC2)cc1 ZINC000053847246 975337099 /nfs/dbraw/zinc/33/70/99/975337099.db2.gz ZPOFUZLTNUNDEV-UHFFFAOYSA-N 1 0 359.514 2.998 20 10 FFCDRO Cn1ncc2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)cnc21 ZINC000876531796 1014294704 /nfs/dbraw/zinc/29/47/04/1014294704.db2.gz PHZLMYVHDNJIGM-SFHVURJKSA-N 1 0 352.438 2.855 20 10 FFCDRO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876559484 1014303712 /nfs/dbraw/zinc/30/37/12/1014303712.db2.gz AFPPHVGFIUQLJT-UHFFFAOYSA-N 1 0 373.541 2.632 20 10 FFCDRO C[N@H+](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000126079458 1014330175 /nfs/dbraw/zinc/33/01/75/1014330175.db2.gz BLMTVIKGYCQTMD-UHFFFAOYSA-N 1 0 364.493 2.994 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066989540 976797949 /nfs/dbraw/zinc/79/79/49/976797949.db2.gz CHPKHRCBDUFTRJ-SFHVURJKSA-N 1 0 374.456 2.500 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cccc(O)c2)[NH+](C)C)cc1 ZINC000899102573 976913579 /nfs/dbraw/zinc/91/35/79/976913579.db2.gz QVQSLCHTGZZRBN-FQEVSTJZSA-N 1 0 370.497 2.903 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cccc(O)c2)[NH+](C)C)cc1 ZINC000899102574 976914222 /nfs/dbraw/zinc/91/42/22/976914222.db2.gz QVQSLCHTGZZRBN-HXUWFJFHSA-N 1 0 370.497 2.903 20 10 FFCDRO CC1(C)[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C[C@@H]1[NH3+] ZINC000876742154 1014372256 /nfs/dbraw/zinc/37/22/56/1014372256.db2.gz RGKLIANRDAVMRB-HOTGVXAUSA-N 1 0 367.440 2.746 20 10 FFCDRO Cc1cccc(C[NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1O ZINC000690592838 1014397729 /nfs/dbraw/zinc/39/77/29/1014397729.db2.gz XFSADKHSDWUKSL-MRXNPFEDSA-N 1 0 362.470 2.959 20 10 FFCDRO CC(=O)O[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001211729128 977516236 /nfs/dbraw/zinc/51/62/36/977516236.db2.gz RQBUQASNUCUXDZ-ROUUACIJSA-N 1 0 366.421 2.763 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000796582355 1014412439 /nfs/dbraw/zinc/41/24/39/1014412439.db2.gz WYGIQMPGUJJSSJ-OAQYLSRUSA-N 1 0 353.466 2.783 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@H]3C)cc2F)CC1 ZINC000178672038 977705777 /nfs/dbraw/zinc/70/57/77/977705777.db2.gz YXHZBLXWFIDPIA-HZPDHXFCSA-N 1 0 362.493 2.908 20 10 FFCDRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(O)c1 ZINC000877052873 1014462189 /nfs/dbraw/zinc/46/21/89/1014462189.db2.gz XTXWBJNUCRIBKW-UHFFFAOYSA-N 1 0 374.506 2.785 20 10 FFCDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877064830 1014465738 /nfs/dbraw/zinc/46/57/38/1014465738.db2.gz WWOFKFFIRLVQFS-UHFFFAOYSA-N 1 0 355.438 2.888 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCc4ccccc43)cc2)CC1 ZINC000877111447 1014477519 /nfs/dbraw/zinc/47/75/19/1014477519.db2.gz IRIQBWMTEFBLGV-QFIPXVFZSA-N 1 0 352.478 2.571 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)c(O)c1 ZINC000877117531 1014478622 /nfs/dbraw/zinc/47/86/22/1014478622.db2.gz GJFFXKQEQNDWPI-UHFFFAOYSA-N 1 0 374.506 2.916 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1C ZINC001268644857 978334988 /nfs/dbraw/zinc/33/49/88/978334988.db2.gz CQQLGCOMJXUMQB-AYOQOUSVSA-N 1 0 353.466 2.797 20 10 FFCDRO CCCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000825952542 1014543106 /nfs/dbraw/zinc/54/31/06/1014543106.db2.gz BVJFEZAUJIETMJ-YLJYHZDGSA-N 1 0 374.529 2.710 20 10 FFCDRO O=C(c1ccc(O)c(O)c1)N1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001272002372 979492788 /nfs/dbraw/zinc/49/27/88/979492788.db2.gz ATPSFEFEWWSMAS-UHFFFAOYSA-N 1 0 358.360 2.588 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000877538437 1014618651 /nfs/dbraw/zinc/61/86/51/1014618651.db2.gz COWOKCKDQXYWKO-GOTSBHOMSA-N 1 0 366.505 2.904 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)cc2)CC1 ZINC000877649694 1014660200 /nfs/dbraw/zinc/66/02/00/1014660200.db2.gz FDUKGROBZAOPEX-QFIPXVFZSA-N 1 0 352.478 2.879 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1 ZINC000877688048 1014681709 /nfs/dbraw/zinc/68/17/09/1014681709.db2.gz PFVGCUAIRRRFJJ-PKOBYXMFSA-N 1 0 369.465 2.795 20 10 FFCDRO O=C1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCCCCCN1 ZINC000877685297 1014678509 /nfs/dbraw/zinc/67/85/09/1014678509.db2.gz UDJQYTOJATWKGH-UHFFFAOYSA-N 1 0 359.514 2.530 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)cc1 ZINC001279151275 981675346 /nfs/dbraw/zinc/67/53/46/981675346.db2.gz XWKJHEQONGERJT-UHFFFAOYSA-N 1 0 355.507 2.701 20 10 FFCDRO COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000897986258 982584382 /nfs/dbraw/zinc/58/43/82/982584382.db2.gz AHIMPDKEVBVAPR-UKINESCASA-N 1 0 354.454 2.874 20 10 FFCDRO Cc1cc(CC(=O)N(CCO)C2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000911945215 983923211 /nfs/dbraw/zinc/92/32/11/983923211.db2.gz GUZZNVRLDMQWHD-UHFFFAOYSA-N 1 0 369.509 2.552 20 10 FFCDRO [NH3+][C@H](CCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000165183524 984438895 /nfs/dbraw/zinc/43/88/95/984438895.db2.gz ZBTADUPEGLZENW-HXUWFJFHSA-N 1 0 353.466 2.620 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC=C(F)C3)cc2F)CC1 ZINC000764726882 984671829 /nfs/dbraw/zinc/67/18/29/984671829.db2.gz UEAJEPYIGALEGM-UHFFFAOYSA-N 1 0 364.440 2.736 20 10 FFCDRO COc1cc2c(cc1C[N@H+](C)Cc1ccc(N3CCOCC3)cc1)OCO2 ZINC000761182479 984875328 /nfs/dbraw/zinc/87/53/28/984875328.db2.gz FVECDIGHRLVJPG-UHFFFAOYSA-N 1 0 370.449 2.893 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)cc(OC)c1OC ZINC000761220117 984925041 /nfs/dbraw/zinc/92/50/41/984925041.db2.gz UWKSQICASOGHBB-HZPDHXFCSA-N 1 0 364.486 2.650 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cnn(C4CCC4)c3)cc2)C1 ZINC000921575815 985408978 /nfs/dbraw/zinc/40/89/78/985408978.db2.gz UYAITIUAWLEKEM-GOSISDBHSA-N 1 0 367.497 2.600 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](C[NH+](C)C)C2)CCCC1 ZINC000651342270 1015132665 /nfs/dbraw/zinc/13/26/65/1015132665.db2.gz QCNABFWHYAYHDT-MRXNPFEDSA-N 1 0 369.509 2.939 20 10 FFCDRO COc1ccc([C@H]2C[C@H]([NH2+]CCc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001168589182 985653598 /nfs/dbraw/zinc/65/35/98/985653598.db2.gz AQEQBEMQXOPNTI-FOIQADDNSA-N 1 0 359.422 2.864 20 10 FFCDRO CC(C)c1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000878824201 1015238273 /nfs/dbraw/zinc/23/82/73/1015238273.db2.gz FDVZQAAWVONWJI-UHFFFAOYSA-N 1 0 357.458 2.872 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000921776121 986989726 /nfs/dbraw/zinc/98/97/26/986989726.db2.gz PSOLQONDUQOGFB-UHFFFAOYSA-N 1 0 358.417 2.642 20 10 FFCDRO COCC[N@H+](C)CCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000915266440 988349819 /nfs/dbraw/zinc/34/98/19/988349819.db2.gz BOACFGDZSYHPKX-UHFFFAOYSA-N 1 0 361.461 2.931 20 10 FFCDRO COc1ccc(N2CCCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1 ZINC000917088107 990126296 /nfs/dbraw/zinc/12/62/96/990126296.db2.gz OYTDUGDATICEBA-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C3CCCC3)CC2)cc1 ZINC000917836218 990282337 /nfs/dbraw/zinc/28/23/37/990282337.db2.gz LEMYKFVXHUUAHV-NRFANRHFSA-N 1 0 371.525 2.998 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000175440080 991203732 /nfs/dbraw/zinc/20/37/32/991203732.db2.gz IIWHKCSHVMAKEY-UHFFFAOYSA-N 1 0 362.518 2.695 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC000179567949 991295241 /nfs/dbraw/zinc/29/52/41/991295241.db2.gz OJIXJQGOAXELAY-KRWDZBQOSA-N 1 0 374.506 2.891 20 10 FFCDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648956 1015625814 /nfs/dbraw/zinc/62/58/14/1015625814.db2.gz HFPPFSYHTNOFLQ-OAHLLOKOSA-N 1 0 370.449 2.863 20 10 FFCDRO COc1ccc(CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000879651182 1015625996 /nfs/dbraw/zinc/62/59/96/1015625996.db2.gz LOXNZTCRKIYHQS-LSDHHAIUSA-N 1 0 372.465 2.807 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2cc(OC)ccc2O)N2CCOCC2)cc1 ZINC000181624912 991836368 /nfs/dbraw/zinc/83/63/68/991836368.db2.gz TUCDRDPLRJVQQC-FQEVSTJZSA-N 1 0 372.465 2.573 20 10 FFCDRO CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(c3cccc(F)n3)CC2)CC[N@@H+]1C ZINC001089866346 992676429 /nfs/dbraw/zinc/67/64/29/992676429.db2.gz HSAQNLMAVPADQD-DLBZAZTESA-N 1 0 360.477 2.594 20 10 FFCDRO Cc1csc([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000880007885 1015730342 /nfs/dbraw/zinc/73/03/42/1015730342.db2.gz JQNJEWPWRJNMMB-KRWDZBQOSA-N 1 0 372.538 2.965 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([S@](C)=O)cc3)c2)CC1 ZINC000185294013 993272323 /nfs/dbraw/zinc/27/23/23/993272323.db2.gz LSZIBDWCFLLOFO-SANMLTNESA-N 1 0 371.506 2.818 20 10 FFCDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000809725795 994582061 /nfs/dbraw/zinc/58/20/61/994582061.db2.gz BAQNIZIEXZFVEB-HNNXBMFYSA-N 1 0 366.458 2.900 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC000809784421 994612199 /nfs/dbraw/zinc/61/21/99/994612199.db2.gz JSUYKYUBORRDHQ-KRWDZBQOSA-N 1 0 361.486 2.519 20 10 FFCDRO C[N@H+](C[C@@H](O)CN(Cc1cccs1)c1ccc2c(c1)OCCO2)C1CC1 ZINC000809959483 994653298 /nfs/dbraw/zinc/65/32/98/994653298.db2.gz IFHMTCQMDBMMEE-QGZVFWFLSA-N 1 0 374.506 2.981 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]2C)cc1C ZINC001082469835 994685960 /nfs/dbraw/zinc/68/59/60/994685960.db2.gz MCZFMACJLGDYMN-CZUORRHYSA-N 1 0 352.425 2.985 20 10 FFCDRO CN(C)c1ccc([C@H](CN[C@H](c2ncc[nH]2)c2cccnc2)[NH+](C)C)cc1 ZINC000903448288 1015897799 /nfs/dbraw/zinc/89/77/99/1015897799.db2.gz MSXMFOBURKADBF-PMACEKPBSA-N 1 0 364.497 2.853 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3=CCOCC3)C[C@H]2C)cc1C ZINC001082723395 995359137 /nfs/dbraw/zinc/35/91/37/995359137.db2.gz MISXYSVNVSSCKI-VQIMIIECSA-N 1 0 358.482 2.677 20 10 FFCDRO CCn1nc(C)cc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001082760353 995432240 /nfs/dbraw/zinc/43/22/40/995432240.db2.gz ODTRWXJJQPYQLV-CRAIPNDOSA-N 1 0 370.497 2.779 20 10 FFCDRO COC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000812541781 995460292 /nfs/dbraw/zinc/46/02/92/995460292.db2.gz DZQPGMVQNJMIHL-QZTJIDSGSA-N 1 0 373.541 2.753 20 10 FFCDRO OCCCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000824563766 996990023 /nfs/dbraw/zinc/99/00/23/996990023.db2.gz CCPHKLURVBCWHS-FQEVSTJZSA-N 1 0 370.493 2.908 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000824692189 997055997 /nfs/dbraw/zinc/05/59/97/997055997.db2.gz ACPOXMJOMVWGFQ-MSOLQXFVSA-N 1 0 374.529 2.505 20 10 FFCDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825129897 997225827 /nfs/dbraw/zinc/22/58/27/997225827.db2.gz HMLIHNSBBDMCRP-WBVHZDCISA-N 1 0 363.458 2.557 20 10 FFCDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173542 997693489 /nfs/dbraw/zinc/69/34/89/997693489.db2.gz HXDJAAWLYBURAW-SFTDATJTSA-N 1 0 373.541 2.809 20 10 FFCDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000844313720 997770073 /nfs/dbraw/zinc/77/00/73/997770073.db2.gz UWFOJZWVWKGNGV-NSHDSACASA-N 1 0 360.366 2.946 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000844313394 997770198 /nfs/dbraw/zinc/77/01/98/997770198.db2.gz RDXDPNHYZAZPAF-DJJJIMSYSA-N 1 0 368.474 2.669 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144503839 998612487 /nfs/dbraw/zinc/61/24/87/998612487.db2.gz FHRTTZORAFETNS-CWTRNNRKSA-N 1 0 364.442 2.683 20 10 FFCDRO O=C1OC2(CN1c1ccccc1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509117 998622724 /nfs/dbraw/zinc/62/27/24/998622724.db2.gz LHZUULWDOAQHQH-UHFFFAOYSA-N 1 0 370.405 2.795 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCC[NH+](C)C)cc1 ZINC000733893098 999120713 /nfs/dbraw/zinc/12/07/13/999120713.db2.gz XGGXDXFJYYWFBC-HXUWFJFHSA-N 1 0 361.530 2.992 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC(OC)C2)cc1C ZINC001085236962 999227412 /nfs/dbraw/zinc/22/74/12/999227412.db2.gz AWQUNVRABKTFNJ-CSODTCANSA-N 1 0 360.498 2.946 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(O)c1 ZINC000740005846 999657230 /nfs/dbraw/zinc/65/72/30/999657230.db2.gz HTRBGZRKMHIRGK-FPOVZHCZSA-N 1 0 370.493 2.764 20 10 FFCDRO C[N@H+](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)[C@@H]1CCSC1 ZINC000766892763 1000091335 /nfs/dbraw/zinc/09/13/35/1000091335.db2.gz TWHVLHHPDFNOLV-CQSZACIVSA-N 1 0 367.478 2.772 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3cccc(OC)c3O)C2)nc1 ZINC000846165647 1000213875 /nfs/dbraw/zinc/21/38/75/1000213875.db2.gz PXDPHSUEQXZBBF-CYBMUJFWSA-N 1 0 371.437 2.512 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCO3)[C@H](O)CO2 ZINC000768448210 1000250754 /nfs/dbraw/zinc/25/07/54/1000250754.db2.gz BPMDIOWUEVNALO-NVXWUHKLSA-N 1 0 355.390 2.884 20 10 FFCDRO Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1C ZINC000768466263 1000262635 /nfs/dbraw/zinc/26/26/35/1000262635.db2.gz XCFJWAMBUPIMPQ-FQEVSTJZSA-N 1 0 354.450 2.757 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000768539505 1000290304 /nfs/dbraw/zinc/29/03/04/1000290304.db2.gz MKYLOFGFQFEEDH-ICFKLAHKSA-N 1 0 359.426 2.702 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000846674861 1000406798 /nfs/dbraw/zinc/40/67/98/1000406798.db2.gz WETNUTKAJKQQQZ-HUUCEWRRSA-N 1 0 367.440 2.763 20 10 FFCDRO C[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846703932 1000414234 /nfs/dbraw/zinc/41/42/34/1000414234.db2.gz RJMCLKKDZOHZMZ-SUMWQHHRSA-N 1 0 352.394 2.704 20 10 FFCDRO COc1ccc(CN2CC[NH+](Cc3ccccc3O)CC2)c(OC)c1OC ZINC000770510070 1000804045 /nfs/dbraw/zinc/80/40/45/1000804045.db2.gz WRSHDCDVNCRYSR-UHFFFAOYSA-N 1 0 372.465 2.736 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)c1 ZINC000772983450 1000940278 /nfs/dbraw/zinc/94/02/78/1000940278.db2.gz IJTNEKBCFJNAHU-CYBMUJFWSA-N 1 0 374.437 2.925 20 10 FFCDRO CCn1cnc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)c1 ZINC001086855085 1001264816 /nfs/dbraw/zinc/26/48/16/1001264816.db2.gz GFNCBCJTVWVNQR-ZWKOTPCHSA-N 1 0 370.497 2.908 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCN1C1CCCCC1 ZINC000785547233 1001451789 /nfs/dbraw/zinc/45/17/89/1001451789.db2.gz DSIYGPZACULQLK-NRFANRHFSA-N 1 0 371.525 2.937 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000774486041 1001927311 /nfs/dbraw/zinc/92/73/11/1001927311.db2.gz VKPAGDUNBCGVIW-UONOGXRCSA-N 1 0 354.454 2.529 20 10 FFCDRO CCOC(=O)[C@]1(F)C[N@H+](Cc2cc(C)cc(OC)c2O)CC12CCC2 ZINC001182856936 1002072517 /nfs/dbraw/zinc/07/25/17/1002072517.db2.gz ZIBAYHIVNRHKEW-LJQANCHMSA-N 1 0 351.418 2.967 20 10 FFCDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000827000987 1016594071 /nfs/dbraw/zinc/59/40/71/1016594071.db2.gz QYKOSQXUSXQZCE-SFHVURJKSA-N 1 0 368.433 2.998 20 10 FFCDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000746879309 1002282211 /nfs/dbraw/zinc/28/22/11/1002282211.db2.gz NGASZKOUSBCASD-UHFFFAOYSA-N 1 0 371.481 2.888 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@]3(CCN(C4COC4)C3=O)C2)c1O ZINC001276246593 1016610870 /nfs/dbraw/zinc/61/08/70/1016610870.db2.gz BIQYMMYYDSNPMW-OAQYLSRUSA-N 1 0 358.482 2.513 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[NH+]4CCC3CC4)cc2)CC1 ZINC000790714229 1002468564 /nfs/dbraw/zinc/46/85/64/1002468564.db2.gz OCBKCIJPVUWVFP-UHFFFAOYSA-N 1 0 356.514 2.913 20 10 FFCDRO COC1(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCCC1 ZINC000790954439 1002525474 /nfs/dbraw/zinc/52/54/74/1002525474.db2.gz RWKQGAPWRADQBP-GOSISDBHSA-N 1 0 359.514 2.827 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1OC ZINC000792192104 1002939606 /nfs/dbraw/zinc/93/96/06/1002939606.db2.gz BYUOMCYNIKWYDV-ZDUSSCGKSA-N 1 0 367.392 2.628 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000103507935 1003063700 /nfs/dbraw/zinc/06/37/00/1003063700.db2.gz BOXONYJUPBOPJG-HNNXBMFYSA-N 1 0 369.465 2.819 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC001197285117 1004164558 /nfs/dbraw/zinc/16/45/58/1004164558.db2.gz NNGZJSFLVHZOTK-FQEVSTJZSA-N 1 0 373.541 2.898 20 10 FFCDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775829969 1004526486 /nfs/dbraw/zinc/52/64/86/1004526486.db2.gz BUNMUDZHVBBDPY-BEFAXECRSA-N 1 0 372.465 2.630 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(N(C)C)cc1 ZINC000775830475 1004539390 /nfs/dbraw/zinc/53/93/90/1004539390.db2.gz JQQGJLLKQBSOEW-CQSZACIVSA-N 1 0 355.438 2.813 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775834830 1004562271 /nfs/dbraw/zinc/56/22/71/1004562271.db2.gz QTKONBRTGOUAEY-QGZVFWFLSA-N 1 0 366.509 2.582 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Oc3ccccc3)CC2)cc1 ZINC001194263912 1004692708 /nfs/dbraw/zinc/69/27/08/1004692708.db2.gz VQZXJQCQYADYRD-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)c2c1 ZINC000808205452 1004781439 /nfs/dbraw/zinc/78/14/39/1004781439.db2.gz DSSYINDZIGFXNW-MRXNPFEDSA-N 1 0 354.450 2.998 20 10 FFCDRO Cn1cnc(-c2cccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c2)n1 ZINC000775976917 1004948210 /nfs/dbraw/zinc/94/82/10/1004948210.db2.gz XFIKFSRLLMGLDS-UHFFFAOYSA-N 1 0 362.481 2.846 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC001199792662 1005030380 /nfs/dbraw/zinc/03/03/80/1005030380.db2.gz QBCVPPZTDVHPTI-NQIIRXRSSA-N 1 0 361.530 2.610 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3nc(C)c(C)s3)CC2)cc1 ZINC001199801180 1005031986 /nfs/dbraw/zinc/03/19/86/1005031986.db2.gz OBLXBHWHODBMRX-UHFFFAOYSA-N 1 0 360.527 2.680 20 10 FFCDRO CS(=O)(=O)Cc1ccc(F)cc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001200880092 1005139111 /nfs/dbraw/zinc/13/91/11/1005139111.db2.gz QAGQTUXRSBFJFX-UHFFFAOYSA-N 1 0 359.369 2.644 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC001201749905 1005260957 /nfs/dbraw/zinc/26/09/57/1005260957.db2.gz CQGWIWFGMXLVIM-QGZVFWFLSA-N 1 0 373.501 2.842 20 10 FFCDRO Fc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000850382171 1005812006 /nfs/dbraw/zinc/81/20/06/1005812006.db2.gz OTQOGLRHJZVLCL-KRWDZBQOSA-N 1 0 360.404 2.895 20 10 FFCDRO COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850473828 1005817769 /nfs/dbraw/zinc/81/77/69/1005817769.db2.gz GCYVRGAUVYAACG-MOPGFXCFSA-N 1 0 362.514 2.943 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc4c(c3)OCC(=O)N4)C2)cc1 ZINC000850488234 1005818225 /nfs/dbraw/zinc/81/82/25/1005818225.db2.gz MBHZUJVEJAPQIB-GDBMZVCRSA-N 1 0 367.449 2.956 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3cccc(OC)c3O)CC2=O)cc1 ZINC000850516055 1005819798 /nfs/dbraw/zinc/81/97/98/1005819798.db2.gz RLOPMOKYVQWQOM-KBPBESRZSA-N 1 0 356.422 2.866 20 10 FFCDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565160 1005822926 /nfs/dbraw/zinc/82/29/26/1005822926.db2.gz BQEIZPBJYUKBCF-GOSISDBHSA-N 1 0 373.541 2.919 20 10 FFCDRO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1O ZINC000109771952 1005862239 /nfs/dbraw/zinc/86/22/39/1005862239.db2.gz WMIMVIJCVOERDK-UHFFFAOYSA-N 1 0 371.456 2.702 20 10 FFCDRO CCC[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1O ZINC000110084309 1005899846 /nfs/dbraw/zinc/89/98/46/1005899846.db2.gz DBWQABVDRDLQEW-UHFFFAOYSA-N 1 0 355.438 2.630 20 10 FFCDRO CNS(=O)(=O)c1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000851732580 1005909827 /nfs/dbraw/zinc/90/98/27/1005909827.db2.gz UKDJSCUDOQVOHS-UHFFFAOYSA-N 1 0 373.522 2.825 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000852412386 1006013355 /nfs/dbraw/zinc/01/33/55/1006013355.db2.gz SJNYLPGZYKEAFZ-LJQANCHMSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000852465945 1006040427 /nfs/dbraw/zinc/04/04/27/1006040427.db2.gz NRRHJAFVCMAMCA-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO C[NH2+][C@@H](C)c1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000881350681 1006058065 /nfs/dbraw/zinc/05/80/65/1006058065.db2.gz GHFGEYYVLNGZRD-LBPRGKRZSA-N 1 0 372.860 2.897 20 10 FFCDRO COC1CCN(c2ccc(Cn3cc(C[NH2+]C4CCCC4)nn3)cc2)CC1 ZINC000881380006 1006072872 /nfs/dbraw/zinc/07/28/72/1006072872.db2.gz HXCLKPKGLUFCLC-UHFFFAOYSA-N 1 0 369.513 2.974 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000852758914 1006171636 /nfs/dbraw/zinc/17/16/36/1006171636.db2.gz HHBNTABLYZXAQC-SZPZYZBQSA-N 1 0 371.525 2.604 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000852789667 1006184965 /nfs/dbraw/zinc/18/49/65/1006184965.db2.gz KQVGCVRZFKOXEY-UHFFFAOYSA-N 1 0 356.470 2.918 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC000852791803 1006186495 /nfs/dbraw/zinc/18/64/95/1006186495.db2.gz MSKHEHSLZSPJIS-HXUWFJFHSA-N 1 0 352.482 2.783 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000852869177 1006213307 /nfs/dbraw/zinc/21/33/07/1006213307.db2.gz YGPWGVZRKAKKBW-IERDGZPVSA-N 1 0 367.493 2.600 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CC(C)(C)CO3)cc2)CC1 ZINC000881849028 1006242778 /nfs/dbraw/zinc/24/27/78/1006242778.db2.gz MACWUDXUCHUXQH-LJQANCHMSA-N 1 0 359.514 2.650 20 10 FFCDRO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)Cc1ccccc1O ZINC000111235108 1006363146 /nfs/dbraw/zinc/36/31/46/1006363146.db2.gz IPJDDIYPTHBMBO-KRWDZBQOSA-N 1 0 353.466 2.561 20 10 FFCDRO C[C@]1(NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]C1 ZINC000853340177 1006371394 /nfs/dbraw/zinc/37/13/94/1006371394.db2.gz OVKOBAOZTKXXRF-IBGZPJMESA-N 1 0 351.410 2.909 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000814804927 1006442621 /nfs/dbraw/zinc/44/26/21/1006442621.db2.gz KYDIRYCAUPZBFW-OPMZPASUSA-N 1 0 371.525 2.760 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000111479075 1006488599 /nfs/dbraw/zinc/48/85/99/1006488599.db2.gz IPRTWFCJKRBDOC-FXAWDEMLSA-N 1 0 374.529 2.758 20 10 FFCDRO CCc1nocc1C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000815112910 1006512995 /nfs/dbraw/zinc/51/29/95/1006512995.db2.gz HYBCKJKJNVUSPN-UHFFFAOYSA-N 1 0 358.486 2.548 20 10 FFCDRO O=c1oc2ccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cc2o1 ZINC000883181402 1006688182 /nfs/dbraw/zinc/68/81/82/1006688182.db2.gz ZZSMUBLTAGNMAV-UHFFFAOYSA-N 1 0 354.406 2.637 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C ZINC000854299233 1006764202 /nfs/dbraw/zinc/76/42/02/1006764202.db2.gz GXIAFHIBDBGFCU-AOIWGVFYSA-N 1 0 374.529 2.788 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000883628053 1006914605 /nfs/dbraw/zinc/91/46/05/1006914605.db2.gz YYZDJRDVUDFYSX-LPHOPBHVSA-N 1 0 374.529 2.756 20 10 FFCDRO Cn1c2ccc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc2oc1=O ZINC000816482478 1007063260 /nfs/dbraw/zinc/06/32/60/1007063260.db2.gz HOYAXEKRGGINDH-UHFFFAOYSA-N 1 0 367.449 2.600 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000855227133 1007192165 /nfs/dbraw/zinc/19/21/65/1007192165.db2.gz TXEHDFQULIJQIR-YWZLYKJASA-N 1 0 363.477 2.603 20 10 FFCDRO C[NH2+]CCOc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193887 1007305077 /nfs/dbraw/zinc/30/50/77/1007305077.db2.gz SHTUYDMLUOTZAN-UHFFFAOYSA-N 1 0 353.466 2.815 20 10 FFCDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000775364906 1007505083 /nfs/dbraw/zinc/50/50/83/1007505083.db2.gz SEYCNJGGCGXBPR-LBPRGKRZSA-N 1 0 360.410 2.707 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@H](C)C3(OC)CCOCC3)cc2)CC1 ZINC000817296977 1007528866 /nfs/dbraw/zinc/52/88/66/1007528866.db2.gz MRXCBQYWRHXICD-QGZVFWFLSA-N 1 0 362.514 2.976 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000775372625 1007578892 /nfs/dbraw/zinc/57/88/92/1007578892.db2.gz DTMFBQWNXJHMRG-CHWSQXEVSA-N 1 0 363.458 2.598 20 10 FFCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000817589322 1007660275 /nfs/dbraw/zinc/66/02/75/1007660275.db2.gz XEQGYPSBKMUZKI-HZPDHXFCSA-N 1 0 366.477 2.897 20 10 FFCDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000817589888 1007660458 /nfs/dbraw/zinc/66/04/58/1007660458.db2.gz RABVAPBCBFQXLS-CVEARBPZSA-N 1 0 363.477 2.571 20 10 FFCDRO CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817876719 1007794361 /nfs/dbraw/zinc/79/43/61/1007794361.db2.gz UHFZIAJQSIQHHQ-CYBMUJFWSA-N 1 0 370.444 2.683 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000817942715 1007819762 /nfs/dbraw/zinc/81/97/62/1007819762.db2.gz QKTBVOVRJPAVNS-QRWLVFNGSA-N 1 0 350.470 2.684 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818270010 1007907317 /nfs/dbraw/zinc/90/73/17/1007907317.db2.gz VNOHIZXVQJNVGX-QGZVFWFLSA-N 1 0 367.493 2.713 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000856596421 1007908105 /nfs/dbraw/zinc/90/81/05/1007908105.db2.gz FPEQYUYXAIFINJ-FQEVSTJZSA-N 1 0 358.486 2.576 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000114584405 1007969222 /nfs/dbraw/zinc/96/92/22/1007969222.db2.gz AOWUWSJJAVUCHB-UHFFFAOYSA-N 1 0 369.465 2.996 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1F ZINC000818965931 1007979983 /nfs/dbraw/zinc/97/99/83/1007979983.db2.gz DHVGHHIAIXAVPA-LJQANCHMSA-N 1 0 366.383 2.764 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C[C@H](O)COCc3ccccc3F)ccc21 ZINC000818985352 1007999799 /nfs/dbraw/zinc/99/97/99/1007999799.db2.gz RVZPDOWDOLQIOG-IBGZPJMESA-N 1 0 358.457 2.875 20 10 FFCDRO CCc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000818972353 1008012745 /nfs/dbraw/zinc/01/27/45/1008012745.db2.gz FAMWIXGCCBRHKT-OAQYLSRUSA-N 1 0 370.493 2.615 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000857846405 1008223415 /nfs/dbraw/zinc/22/34/15/1008223415.db2.gz KSAISMDIAWGNIS-FQEVSTJZSA-N 1 0 369.513 2.598 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(CO)cc(C)n3)CC2)cc1 ZINC000820608840 1008358131 /nfs/dbraw/zinc/35/81/31/1008358131.db2.gz AJPBMJCBGXROJL-UHFFFAOYSA-N 1 0 370.497 2.515 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000859364631 1008507337 /nfs/dbraw/zinc/50/73/37/1008507337.db2.gz LFOPSSFKVNPMAF-OAHLLOKOSA-N 1 0 355.482 2.906 20 10 FFCDRO CNc1ccc(C)cc1C[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC001177515488 1008636993 /nfs/dbraw/zinc/63/69/93/1008636993.db2.gz VHVYWGWQCJZPQA-UHFFFAOYSA-N 1 0 368.525 2.957 20 10 FFCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324802 1008637182 /nfs/dbraw/zinc/63/71/82/1008637182.db2.gz HPTFYSGCNBQKIF-UHFFFAOYSA-N 1 0 366.509 2.744 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000886324787 1008637377 /nfs/dbraw/zinc/63/73/77/1008637377.db2.gz GZFWYFNVUYOAMI-SFHVURJKSA-N 1 0 357.498 2.580 20 10 FFCDRO COc1ccccc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886325626 1008639795 /nfs/dbraw/zinc/63/97/95/1008639795.db2.gz MBJNUZQWMSJONU-UHFFFAOYSA-N 1 0 353.466 2.687 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822593118 1008706864 /nfs/dbraw/zinc/70/68/64/1008706864.db2.gz RQCHJQOEIOXZIU-QGZVFWFLSA-N 1 0 362.518 2.553 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000822691371 1008734747 /nfs/dbraw/zinc/73/47/47/1008734747.db2.gz ICUGBFCGFNZAAA-SFHVURJKSA-N 1 0 374.529 2.553 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000822691370 1008735422 /nfs/dbraw/zinc/73/54/22/1008735422.db2.gz ICUGBFCGFNZAAA-GOSISDBHSA-N 1 0 374.529 2.553 20 10 FFCDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177830544 1008761126 /nfs/dbraw/zinc/76/11/26/1008761126.db2.gz XRKVVYBIATXJCB-LAUBAEHRSA-N 1 0 371.500 2.832 20 10 FFCDRO CCOC(=O)CN(CC[NH3+])c1cc(F)c(OCC)c(C(F)(F)F)c1 ZINC001170995843 1008768121 /nfs/dbraw/zinc/76/81/21/1008768121.db2.gz DHHWGRBMAQVLTK-UHFFFAOYSA-N 1 0 352.328 2.571 20 10 FFCDRO COC(=O)c1cccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000773748135 1009016585 /nfs/dbraw/zinc/01/65/85/1009016585.db2.gz WVSVQSLIGMPXOY-UHFFFAOYSA-N 1 0 355.438 2.589 20 10 FFCDRO CC[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823602459 1009136255 /nfs/dbraw/zinc/13/62/55/1009136255.db2.gz NESGAOPVYUQFIP-ICSRJNTNSA-N 1 0 361.530 2.755 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC001179299675 1009300427 /nfs/dbraw/zinc/30/04/27/1009300427.db2.gz WEIJDAXRHZBMPZ-IBGZPJMESA-N 1 0 364.493 2.872 20 10 FFCDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000861341406 1009351354 /nfs/dbraw/zinc/35/13/54/1009351354.db2.gz PKOICRQJMYSAOW-OXJNMPFZSA-N 1 0 357.454 2.755 20 10 FFCDRO CN(C)c1ccc(/C=C/C(=O)NC2CC[NH+](CC(=O)C(C)(C)C)CC2)cc1 ZINC001180130759 1009558653 /nfs/dbraw/zinc/55/86/53/1009558653.db2.gz ZTCYKWUXFVZKBQ-DHZHZOJOSA-N 1 0 371.525 2.962 20 10 FFCDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2cc(C)ccc2O)c1 ZINC000862023445 1009666328 /nfs/dbraw/zinc/66/63/28/1009666328.db2.gz FDOKTDGSXMNTCJ-UHFFFAOYSA-N 1 0 369.465 2.797 20 10 FFCDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc2cccnc2c1O ZINC000862028238 1009669350 /nfs/dbraw/zinc/66/93/50/1009669350.db2.gz VCQBEIFPQHPRFM-UHFFFAOYSA-N 1 0 369.465 2.592 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c1 ZINC000862538044 1009870688 /nfs/dbraw/zinc/87/06/88/1009870688.db2.gz LQINONUGSKZHHU-XZDPQHSOSA-N 1 0 368.399 2.932 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000862760980 1009962364 /nfs/dbraw/zinc/96/23/64/1009962364.db2.gz YQEQMESMOMJWID-UHFFFAOYSA-N 1 0 367.493 2.919 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)CC1 ZINC000151575779 1010073278 /nfs/dbraw/zinc/07/32/78/1010073278.db2.gz RJWJVKZYZIHAKU-UHFFFAOYSA-N 1 0 367.484 2.714 20 10 FFCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 ZINC001181685743 1010192638 /nfs/dbraw/zinc/19/26/38/1010192638.db2.gz CDFRMTFSFBSXOO-HNNXBMFYSA-N 1 0 354.516 2.619 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c(O)c1OC ZINC001182368671 1010538871 /nfs/dbraw/zinc/53/88/71/1010538871.db2.gz GFXZBIWWNNTKAK-OAHLLOKOSA-N 1 0 360.410 2.620 20 10 FFCDRO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(N2CCCCC2)cc1 ZINC000866519186 1011007743 /nfs/dbraw/zinc/00/77/43/1011007743.db2.gz NSTGFZGZJAAYCT-JXFKEZNVSA-N 1 0 359.470 2.549 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2F)CC1 ZINC000868038174 1011151517 /nfs/dbraw/zinc/15/15/17/1011151517.db2.gz NBAPCGSRUBDYFP-UHFFFAOYSA-N 1 0 356.445 2.731 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172188120 1011662858 /nfs/dbraw/zinc/66/28/58/1011662858.db2.gz FCENBYLHDBRFJC-HUUCEWRRSA-N 1 0 353.466 2.698 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCCn3ccnc3)C[C@H]2C)cc1C ZINC001216993451 1032581478 /nfs/dbraw/zinc/58/14/78/1032581478.db2.gz GHLRYTLVEOSZAW-IEBWSBKVSA-N 1 0 370.497 2.617 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc3c(c2)OCCN3C)C1=O ZINC001275027552 1011826430 /nfs/dbraw/zinc/82/64/30/1011826430.db2.gz VFSLWMHSDYCUMM-KKSFZXQISA-N 1 0 357.498 2.881 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275027275 1011826725 /nfs/dbraw/zinc/82/67/25/1011826725.db2.gz SFFXZJLXXCQBEI-HRAATJIYSA-N 1 0 357.498 2.738 20 10 FFCDRO Cc1nc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cc(O)ccc3O)C2=O)cs1 ZINC001275035400 1011841779 /nfs/dbraw/zinc/84/17/79/1011841779.db2.gz SZSRYHYSQBDVNX-IBGZPJMESA-N 1 0 373.478 2.630 20 10 FFCDRO O=C1C[C@@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001275035572 1011843443 /nfs/dbraw/zinc/84/34/43/1011843443.db2.gz YFQIEKJMPIMVIP-MRXNPFEDSA-N 1 0 358.360 2.617 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)CC2)C1=O ZINC001275238512 1012122574 /nfs/dbraw/zinc/12/25/74/1012122574.db2.gz JTQRHOMCBJUKMZ-NRFANRHFSA-N 1 0 360.498 2.942 20 10 FFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001275241749 1012129966 /nfs/dbraw/zinc/12/99/66/1012129966.db2.gz LTFOPEZQCQQYFB-HXUWFJFHSA-N 1 0 360.454 2.542 20 10 FFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275247735 1012135162 /nfs/dbraw/zinc/13/51/62/1012135162.db2.gz FNPJNEVNFFNWNM-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)CN1CC(F)F ZINC001275577654 1012639596 /nfs/dbraw/zinc/63/95/96/1012639596.db2.gz DMOTXIQORWNXGF-UHFFFAOYSA-N 1 0 354.397 2.568 20 10 FFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275597915 1012673485 /nfs/dbraw/zinc/67/34/85/1012673485.db2.gz LFUNEYRRJSRXPE-OAQYLSRUSA-N 1 0 359.514 2.746 20 10 FFCDRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000871201152 1012783457 /nfs/dbraw/zinc/78/34/57/1012783457.db2.gz QHSXCIFGNXKWLE-UHFFFAOYSA-N 1 0 366.461 2.753 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)cc1 ZINC000828352840 1032676605 /nfs/dbraw/zinc/67/66/05/1032676605.db2.gz FRHMBCLIBFERKE-NRFANRHFSA-N 1 0 365.477 2.667 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827119281 1017334394 /nfs/dbraw/zinc/33/43/94/1017334394.db2.gz JKGPCEDGWNSZMR-FQEVSTJZSA-N 1 0 368.477 2.878 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCOC34CCCCC4)cc2)C1 ZINC000924731795 1017454234 /nfs/dbraw/zinc/45/42/34/1017454234.db2.gz ZXMUNFOKJZGQQA-ICSRJNTNSA-N 1 0 371.525 2.970 20 10 FFCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000827141953 1017509721 /nfs/dbraw/zinc/50/97/21/1017509721.db2.gz ZIOSGAGAMPGKGB-SJORKVTESA-N 1 0 372.469 2.686 20 10 FFCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925162440 1017645801 /nfs/dbraw/zinc/64/58/01/1017645801.db2.gz VRKVJPOLMFXHTI-RBSFLKMASA-N 1 0 367.440 2.904 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC000827364615 1017780982 /nfs/dbraw/zinc/78/09/82/1017780982.db2.gz JDBKARDPWHUTBR-ZOBUZTSGSA-N 1 0 363.477 2.588 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(C[NH3+])c3)cc2F)C[C@H](C)O1 ZINC000827364604 1017781142 /nfs/dbraw/zinc/78/11/42/1017781142.db2.gz JALZHNMQMHTUKZ-GJZGRUSLSA-N 1 0 371.456 2.828 20 10 FFCDRO C[C@@H]([NH3+])[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000925689940 1017819378 /nfs/dbraw/zinc/81/93/78/1017819378.db2.gz DSZGKWSFNKJMRW-KUHUBIRLSA-N 1 0 361.436 2.980 20 10 FFCDRO C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000827725129 1018631109 /nfs/dbraw/zinc/63/11/09/1018631109.db2.gz ACUJQVRGTNBJPL-OAHLLOKOSA-N 1 0 351.450 2.617 20 10 FFCDRO CCCC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O ZINC000801597754 1019159572 /nfs/dbraw/zinc/15/95/72/1019159572.db2.gz OARFGQOIZUQBLL-UHFFFAOYSA-N 1 0 359.426 2.613 20 10 FFCDRO COCCCn1nccc1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000801720495 1019293826 /nfs/dbraw/zinc/29/38/26/1019293826.db2.gz YSBKYMOIYPZLAX-UHFFFAOYSA-N 1 0 358.486 2.687 20 10 FFCDRO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000390737399 1019877312 /nfs/dbraw/zinc/87/73/12/1019877312.db2.gz QIKDRYRWPJJTJK-JKSUJKDBSA-N 1 0 362.470 2.995 20 10 FFCDRO O=C(COc1ccccc1C[NH2+]Cc1ccc2c(c1)CCO2)N1CCCC1 ZINC000725853456 1020269648 /nfs/dbraw/zinc/26/96/48/1020269648.db2.gz RLPXPVNXMKQWKR-UHFFFAOYSA-N 1 0 366.461 2.913 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000802658298 1020298615 /nfs/dbraw/zinc/29/86/15/1020298615.db2.gz SLTGWVZTDKSPOP-GOSISDBHSA-N 1 0 354.450 2.724 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C1 ZINC000800476542 1020345622 /nfs/dbraw/zinc/34/56/22/1020345622.db2.gz KQYGYSGGXOYSNW-ICSRJNTNSA-N 1 0 371.525 2.827 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1c(F)ccc(O)c1O)C1CC1 ZINC000828905348 1032897836 /nfs/dbraw/zinc/89/78/36/1032897836.db2.gz UWSKGYCBPYEXTE-MRXNPFEDSA-N 1 0 358.413 2.877 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000726163647 1020426440 /nfs/dbraw/zinc/42/64/40/1020426440.db2.gz LNHCANYYZBVKQB-MOPGFXCFSA-N 1 0 367.493 2.996 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1C ZINC000800899263 1020632981 /nfs/dbraw/zinc/63/29/81/1020632981.db2.gz JMYZHUNFJHYLNS-GOSISDBHSA-N 1 0 354.450 2.779 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)cc2)CC1 ZINC000828987970 1032936441 /nfs/dbraw/zinc/93/64/41/1032936441.db2.gz KDSAXAVCTVZIFB-KRWDZBQOSA-N 1 0 367.497 2.653 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000933184304 1020974448 /nfs/dbraw/zinc/97/44/48/1020974448.db2.gz KEDLGRZHAJJHMB-HOJAQTOUSA-N 1 0 360.498 2.994 20 10 FFCDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000933284945 1020990217 /nfs/dbraw/zinc/99/02/17/1020990217.db2.gz MJOSFRGXXCFGBW-LJQANCHMSA-N 1 0 359.514 2.696 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001218029872 1032961179 /nfs/dbraw/zinc/96/11/79/1032961179.db2.gz OISIUTBJNQTPRO-IAQYHMDHSA-N 1 0 367.401 2.640 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218030661 1032962368 /nfs/dbraw/zinc/96/23/68/1032962368.db2.gz TTZZHUXAOWKDDB-WBMJQRKESA-N 1 0 351.402 2.935 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1O)C(=O)NCC(F)(F)F ZINC001116589633 1021298265 /nfs/dbraw/zinc/29/82/65/1021298265.db2.gz ZRADOZHQEUIUIU-HTQZYQBOSA-N 1 0 369.181 2.872 20 10 FFCDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)cn1 ZINC001119247027 1022633303 /nfs/dbraw/zinc/63/33/03/1022633303.db2.gz OXFUWDHQTHUKOA-UHFFFAOYSA-N 1 0 352.438 2.676 20 10 FFCDRO CC(C)(C)OC1CC([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000779020868 1022660191 /nfs/dbraw/zinc/66/01/91/1022660191.db2.gz UVIBZPDESIFZSD-MUYFXNHWSA-N 1 0 359.514 2.824 20 10 FFCDRO O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@@H]3CCC[NH2+]C3)c21 ZINC001218284481 1033085555 /nfs/dbraw/zinc/08/55/55/1033085555.db2.gz ZZUZPTAWPDKPKX-DYVFJYSZSA-N 1 0 371.389 2.641 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCC(F)(F)F)[NH+](C)C)cc1 ZINC001119990873 1023196201 /nfs/dbraw/zinc/19/62/01/1023196201.db2.gz YRDPNYGWXNCYDA-OAHLLOKOSA-N 1 0 360.424 2.949 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)C[C@H]2C1 ZINC001120035004 1023215460 /nfs/dbraw/zinc/21/54/60/1023215460.db2.gz MGYRLPACKFMMAS-SFHLNBCPSA-N 1 0 368.525 2.935 20 10 FFCDRO COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCCCC4)c(C)c3)C[C@H]1COCC2 ZINC000829359620 1033120300 /nfs/dbraw/zinc/12/03/00/1033120300.db2.gz NENKYARRHDFVQS-SIKLNZKXSA-N 1 0 372.509 2.997 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2cc(N)cc(F)c2)[NH+](C)C)cc1 ZINC001120573430 1023368159 /nfs/dbraw/zinc/36/81/59/1023368159.db2.gz JVMSVAZGLLSJGE-LJQANCHMSA-N 1 0 373.476 2.576 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)[C@H]3CC[NH3+])CC2)cc1 ZINC001120589531 1023373745 /nfs/dbraw/zinc/37/37/45/1023373745.db2.gz PBCBOEIFFPVONQ-OXJNMPFZSA-N 1 0 374.529 2.823 20 10 FFCDRO CC[N@H+](C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)C(C)C ZINC000754020908 1023416738 /nfs/dbraw/zinc/41/67/38/1023416738.db2.gz WWAOOQJWBIGRKV-ICSRJNTNSA-N 1 0 363.546 2.545 20 10 FFCDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754052714 1023420120 /nfs/dbraw/zinc/42/01/20/1023420120.db2.gz YCEGPXWIVDFLGC-UYAOXDASSA-N 1 0 363.546 2.546 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c(O)c1C ZINC000756362833 1023701453 /nfs/dbraw/zinc/70/14/53/1023701453.db2.gz NQITWRADRHFTSU-HNNXBMFYSA-N 1 0 359.470 2.914 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(F)ccc1O ZINC000756457532 1023713276 /nfs/dbraw/zinc/71/32/76/1023713276.db2.gz RICRXMVPGDTGGB-DOMZBBRYSA-N 1 0 374.412 2.507 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000756482917 1023718338 /nfs/dbraw/zinc/71/83/38/1023718338.db2.gz LBCUWBLPVZYGKL-JYJNAYRXSA-N 1 0 364.486 2.719 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc([C@H]2CCC[N@H+](C)C2)n1CC1CC1 ZINC001123495407 1023832698 /nfs/dbraw/zinc/83/26/98/1023832698.db2.gz WKGIOPWYGYDVGG-KRWDZBQOSA-N 1 0 355.486 2.839 20 10 FFCDRO CN(Cc1ccco1)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000078680600 1023922096 /nfs/dbraw/zinc/92/20/96/1023922096.db2.gz VMBZEKWMVDTTCA-GOSISDBHSA-N 1 0 358.438 2.625 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137835590 1033173706 /nfs/dbraw/zinc/17/37/06/1033173706.db2.gz KHVRQNQSOIJAKR-FQEVSTJZSA-N 1 0 355.413 2.551 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000079171251 1024201051 /nfs/dbraw/zinc/20/10/51/1024201051.db2.gz CHQOGLANJYKDEL-UHFFFAOYSA-N 1 0 357.454 2.674 20 10 FFCDRO CC[C@@H](C)[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276851399 1033211694 /nfs/dbraw/zinc/21/16/94/1033211694.db2.gz JRJRYADQALGHBI-IIBYNOLFSA-N 1 0 357.498 2.892 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000245470554 1025438292 /nfs/dbraw/zinc/43/82/92/1025438292.db2.gz WNSLGSQUYBAUHD-AERCQKQUSA-N 1 0 371.525 2.760 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)ccc21 ZINC001141143342 1025517341 /nfs/dbraw/zinc/51/73/41/1025517341.db2.gz VOAQAJVDVDQGJF-SFHVURJKSA-N 1 0 357.498 2.740 20 10 FFCDRO Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146063 1025523684 /nfs/dbraw/zinc/52/36/84/1025523684.db2.gz JHYQKSVINNIAOC-KRWDZBQOSA-N 1 0 354.454 2.657 20 10 FFCDRO CC(C)N1CCC2(CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)C1=O ZINC001141146304 1025524408 /nfs/dbraw/zinc/52/44/08/1025524408.db2.gz RJUFGSDNMVHJBN-UHFFFAOYSA-N 1 0 357.498 2.738 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1 ZINC001141157392 1025538006 /nfs/dbraw/zinc/53/80/06/1025538006.db2.gz GUFZWPDIMNXIEO-PZJWPPBQSA-N 1 0 370.449 2.943 20 10 FFCDRO O=C1N(Cc2cccnc2)CCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141157344 1025538256 /nfs/dbraw/zinc/53/82/56/1025538256.db2.gz GIOYHGYJDUMPAB-UHFFFAOYSA-N 1 0 367.449 2.508 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001141311336 1025846069 /nfs/dbraw/zinc/84/60/69/1025846069.db2.gz FGVFUHUDRLJUTK-LJQANCHMSA-N 1 0 369.509 2.979 20 10 FFCDRO COc1ccc(C2([NH2+]CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000839541254 1026723649 /nfs/dbraw/zinc/72/36/49/1026723649.db2.gz UPVZCSRFINRMCJ-UHFFFAOYSA-N 1 0 353.466 2.656 20 10 FFCDRO C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000840176849 1026997852 /nfs/dbraw/zinc/99/78/52/1026997852.db2.gz FTOMFHPDUVJQDK-YWZLYKJASA-N 1 0 354.450 2.524 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000840322851 1027048179 /nfs/dbraw/zinc/04/81/79/1027048179.db2.gz UIVIDLFPPWDIEQ-XYJFISCASA-N 1 0 358.530 2.916 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000840481779 1027089371 /nfs/dbraw/zinc/08/93/71/1027089371.db2.gz NKJQQAIHAYGBHR-UWVAXJGDSA-N 1 0 360.546 2.974 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000840488930 1027092122 /nfs/dbraw/zinc/09/21/22/1027092122.db2.gz QGNDMHQWAOTDSO-QGZVFWFLSA-N 1 0 360.546 2.975 20 10 FFCDRO Cc1cccc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000092010769 1027196265 /nfs/dbraw/zinc/19/62/65/1027196265.db2.gz CWBPCTCETQMDFA-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092455347 1027335704 /nfs/dbraw/zinc/33/57/04/1027335704.db2.gz UOLXIVVMXZLLGE-KRWDZBQOSA-N 1 0 361.486 2.622 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001161134544 1028029143 /nfs/dbraw/zinc/02/91/43/1028029143.db2.gz BQYFHNPQVQHIGW-QGZVFWFLSA-N 1 0 363.502 2.550 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2C)cc1C ZINC001103870509 1028318664 /nfs/dbraw/zinc/31/86/64/1028318664.db2.gz FQQXHZQQAZYBRT-SJLPKXTDSA-N 1 0 370.497 2.625 20 10 FFCDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc(Br)cc3c2NC(=O)C3)C1 ZINC001162854751 1028679264 /nfs/dbraw/zinc/67/92/64/1028679264.db2.gz VVYFSPLZCKYQKP-CYBMUJFWSA-N 1 0 358.239 2.965 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncnc4cnc(F)cc43)cc2)CC1 ZINC001156655807 1029290353 /nfs/dbraw/zinc/29/03/53/1029290353.db2.gz LIFDCBIHOKOIQP-UHFFFAOYSA-N 1 0 352.417 2.528 20 10 FFCDRO C[C@H]1CCc2nnc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2C1 ZINC001156659280 1029292892 /nfs/dbraw/zinc/29/28/92/1029292892.db2.gz JLOGLSCJKLMADS-INIZCTEOSA-N 1 0 351.498 2.965 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157434226 1029586220 /nfs/dbraw/zinc/58/62/20/1029586220.db2.gz NPFYGMNZMOGHAC-AMVTXUCVSA-N 1 0 358.482 2.516 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840942530 1029936846 /nfs/dbraw/zinc/93/68/46/1029936846.db2.gz BJGIFJPLWSGQLJ-UHFFFAOYSA-N 1 0 355.482 2.518 20 10 FFCDRO COc1ccccc1-n1nccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041315 1029996147 /nfs/dbraw/zinc/99/61/47/1029996147.db2.gz FFRUAPVXFJNPCR-IBGZPJMESA-N 1 0 365.481 2.737 20 10 FFCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000841044476 1030000429 /nfs/dbraw/zinc/00/04/29/1030000429.db2.gz YMKVCQBUQSYHNQ-GOSISDBHSA-N 1 0 370.888 2.776 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841125283 1030059536 /nfs/dbraw/zinc/05/95/36/1030059536.db2.gz GLKLMGGWVUKNTR-UHFFFAOYSA-N 1 0 355.438 2.618 20 10 FFCDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(N)cc1 ZINC000841300300 1030172105 /nfs/dbraw/zinc/17/21/05/1030172105.db2.gz UFNJXZPBXYPYPY-UHFFFAOYSA-N 1 0 367.497 2.550 20 10 FFCDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841731207 1030433238 /nfs/dbraw/zinc/43/32/38/1030433238.db2.gz SQORCYNUBRLVBV-OXJNMPFZSA-N 1 0 352.482 2.946 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000841779816 1030462706 /nfs/dbraw/zinc/46/27/06/1030462706.db2.gz ZMXIQTPIGYLOGC-FQEVSTJZSA-N 1 0 368.481 2.663 20 10 FFCDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841842993 1030498399 /nfs/dbraw/zinc/49/83/99/1030498399.db2.gz ASFMPWPAPSIVIP-XJKSGUPXSA-N 1 0 370.444 2.539 20 10 FFCDRO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccccc1O ZINC001203551983 1030760332 /nfs/dbraw/zinc/76/03/32/1030760332.db2.gz WDHBAFJWEFMCPB-LJQANCHMSA-N 1 0 371.481 2.761 20 10 FFCDRO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccc2O)cs1 ZINC001203552122 1030760573 /nfs/dbraw/zinc/76/05/73/1030760573.db2.gz BMVZVMUUAGAPND-IAGOWNOFSA-N 1 0 357.479 2.923 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001203555524 1030762340 /nfs/dbraw/zinc/76/23/40/1030762340.db2.gz BZLGULQQGFNFDV-GOSISDBHSA-N 1 0 364.449 2.833 20 10 FFCDRO COc1cccc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1O ZINC001203591600 1030775864 /nfs/dbraw/zinc/77/58/64/1030775864.db2.gz KGUPCNJRSQGUTD-INIZCTEOSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1cccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)c1O ZINC001203592077 1030776280 /nfs/dbraw/zinc/77/62/80/1030776280.db2.gz BXLGBEWFPFOROC-UHFFFAOYSA-N 1 0 362.433 2.854 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1O ZINC001203601866 1030780984 /nfs/dbraw/zinc/78/09/84/1030780984.db2.gz OSXWBKMLTJYDKA-UHFFFAOYSA-N 1 0 372.387 2.778 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001203628512 1030794625 /nfs/dbraw/zinc/79/46/25/1030794625.db2.gz AFFZHCKQXZPURO-PXNSSMCTSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203627989 1030796258 /nfs/dbraw/zinc/79/62/58/1030796258.db2.gz UMXHXJLBCGTLGF-CABCVRRESA-N 1 0 354.422 2.838 20 10 FFCDRO O=C(c1cccnc1)N1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001203657394 1030809521 /nfs/dbraw/zinc/80/95/21/1030809521.db2.gz DJMXANSISMWSGG-HOTGVXAUSA-N 1 0 357.841 2.645 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCN(CC(F)(F)F)C3=O)CC2)c1 ZINC001203681370 1030823935 /nfs/dbraw/zinc/82/39/35/1030823935.db2.gz VHJHNOXPNCSCLS-UHFFFAOYSA-N 1 0 372.387 2.778 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1-n1ccnn1 ZINC000796702166 1030888780 /nfs/dbraw/zinc/88/87/80/1030888780.db2.gz KKNIKSAVNIWSEP-QGZVFWFLSA-N 1 0 363.465 2.955 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1O ZINC001203878411 1030953310 /nfs/dbraw/zinc/95/33/10/1030953310.db2.gz TXZHUEVDOXIQNT-PZJWPPBQSA-N 1 0 370.449 2.943 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)CN1c1cccc(F)c1 ZINC001203879218 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2.780 20 10 FFCDRO CC(C)NC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204242883 1031183751 /nfs/dbraw/zinc/18/37/51/1031183751.db2.gz UACPPNLMPITHLI-UHFFFAOYSA-N 1 0 368.525 2.548 20 10 FFCDRO Oc1ccc(C[NH+]2CCN(c3ncccc3C(F)(F)F)CC2)c(O)c1 ZINC001204272859 1031197978 /nfs/dbraw/zinc/19/79/78/1031197978.db2.gz UHIOLXWTUXWZBD-UHFFFAOYSA-N 1 0 353.344 2.834 20 10 FFCDRO CN1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001204274324 1031200350 /nfs/dbraw/zinc/20/03/50/1031200350.db2.gz NNVFTWFFPRQDEG-IBGZPJMESA-N 1 0 366.461 2.936 20 10 FFCDRO CS(=O)(=O)c1cccc(C2CC[NH+](Cc3ccc(O)cc3O)CC2)c1 ZINC001204277691 1031203910 /nfs/dbraw/zinc/20/39/10/1031203910.db2.gz IJDCTVHMZRJGDW-UHFFFAOYSA-N 1 0 361.463 2.881 20 10 FFCDRO O=C(NC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)C(F)(F)F ZINC001204320908 1031226630 /nfs/dbraw/zinc/22/66/30/1031226630.db2.gz DENSLDBAIVFKMJ-UHFFFAOYSA-N 1 0 355.404 2.930 20 10 FFCDRO COc1cc(CN2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)cc(O)c1O ZINC001204343900 1031240601 /nfs/dbraw/zinc/24/06/01/1031240601.db2.gz BOMNMGRHUDMIPE-ROUUACIJSA-N 1 0 354.450 2.813 20 10 FFCDRO Cc1cc(C)cc(OCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299611 1031295983 /nfs/dbraw/zinc/29/59/83/1031295983.db2.gz VDNPGONQDHTPRV-HXUWFJFHSA-N 1 0 355.482 2.955 20 10 FFCDRO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H]1CNCCO1 ZINC001205376956 1031695781 /nfs/dbraw/zinc/69/57/81/1031695781.db2.gz PNCASBWHAPRGOU-AWEZNQCLSA-N 1 0 365.271 2.728 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3CC(C)C3)CC2)cc1 ZINC001223305057 1033382988 /nfs/dbraw/zinc/38/29/88/1033382988.db2.gz DCXZWYSZTVRJRD-UHFFFAOYSA-N 1 0 374.529 2.553 20 10 FFCDRO C[N@H+](CCC(C)(C)C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000829929583 1033397745 /nfs/dbraw/zinc/39/77/45/1033397745.db2.gz YAJVIDFHYAKLSY-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000830531343 1033658702 /nfs/dbraw/zinc/65/87/02/1033658702.db2.gz HXJCXKBPMVMSIZ-GOSISDBHSA-N 1 0 354.450 2.636 20 10 FFCDRO COCCCN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3[O-])C2)C1=O ZINC001276967605 1033865455 /nfs/dbraw/zinc/86/54/55/1033865455.db2.gz RIXWBPNSVKOTBJ-GOSISDBHSA-N 1 0 370.852 2.646 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@@H]1C1CCC1)cc2=O ZINC000830989670 1033901578 /nfs/dbraw/zinc/90/15/78/1033901578.db2.gz XFBJARXAGMIMSP-MRXNPFEDSA-N 1 0 358.442 2.766 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1N(C)C ZINC000831576317 1034129246 /nfs/dbraw/zinc/12/92/46/1034129246.db2.gz DJMVIZKXQNYISH-CVEARBPZSA-N 1 0 369.431 2.904 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277025112 1034165446 /nfs/dbraw/zinc/16/54/46/1034165446.db2.gz BCTDTNAMQGTAMT-VLIAUNLRSA-N 1 0 362.445 2.979 20 10 FFCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001138340597 1034171145 /nfs/dbraw/zinc/17/11/45/1034171145.db2.gz WORXLBARXVSZGI-ZVZYQTTQSA-N 1 0 370.493 2.865 20 10 FFCDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)[C@H]1CCC2(C1)OCCO2 ZINC001138341932 1034172077 /nfs/dbraw/zinc/17/20/77/1034172077.db2.gz MPYILUXOLOHTMT-KRWDZBQOSA-N 1 0 358.482 2.818 20 10 FFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277027157 1034174460 /nfs/dbraw/zinc/17/44/60/1034174460.db2.gz ZZCHKSRECBLQNR-HXUWFJFHSA-N 1 0 362.445 2.981 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2cn(C)nc21 ZINC001138355246 1034190832 /nfs/dbraw/zinc/19/08/32/1034190832.db2.gz MLMJJBXHKUTUQV-LJQANCHMSA-N 1 0 354.498 2.938 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(NC(=O)c4ccccn4)CC3)ccc21 ZINC001138359105 1034194509 /nfs/dbraw/zinc/19/45/09/1034194509.db2.gz KVJIZOJVLCHIBY-UHFFFAOYSA-N 1 0 364.493 2.858 20 10 FFCDRO CCN(CC)c1ccc(CN2CC[NH+](CCC(C)(C)O)CC2)c(OC)c1 ZINC001138391100 1034224679 /nfs/dbraw/zinc/22/46/79/1034224679.db2.gz CEVZSXFFCYNRRP-UHFFFAOYSA-N 1 0 363.546 2.820 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(OC)c1 ZINC001138391576 1034227069 /nfs/dbraw/zinc/22/70/69/1034227069.db2.gz GCSHIIWSPVOAFT-LPHOPBHVSA-N 1 0 359.514 2.984 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC000831748505 1034255967 /nfs/dbraw/zinc/25/59/67/1034255967.db2.gz DTJZZNSOYANMHP-QRWLVFNGSA-N 1 0 371.456 2.519 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC001220679295 1034334969 /nfs/dbraw/zinc/33/49/69/1034334969.db2.gz ITUFRZRYQCRUHD-UHFFFAOYSA-N 1 0 364.534 2.892 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001138497885 1034336100 /nfs/dbraw/zinc/33/61/00/1034336100.db2.gz NSVMSSKTBTVBBD-VXKWHMMOSA-N 1 0 372.509 2.683 20 10 FFCDRO c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001138498744 1034338183 /nfs/dbraw/zinc/33/81/83/1034338183.db2.gz CCGIEBVCXTWISM-GOTSBHOMSA-N 1 0 363.505 2.982 20 10 FFCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)o1 ZINC001138499369 1034340216 /nfs/dbraw/zinc/34/02/16/1034340216.db2.gz GSBSOYDZPWMNMO-UHFFFAOYSA-N 1 0 356.470 2.848 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001277097477 1034517281 /nfs/dbraw/zinc/51/72/81/1034517281.db2.gz HSFCQFRIUCHAJC-YJYMSZOUSA-N 1 0 368.424 2.520 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000832266438 1034688393 /nfs/dbraw/zinc/68/83/93/1034688393.db2.gz GAZZQCWCWQQCDG-KRWDZBQOSA-N 1 0 355.486 2.953 20 10 FFCDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279897 1034697751 /nfs/dbraw/zinc/69/77/51/1034697751.db2.gz MNMHNXRQTSGKGB-KPZWWZAWSA-N 1 0 363.408 2.614 20 10 FFCDRO COc1cccc2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000832300252 1034714128 /nfs/dbraw/zinc/71/41/28/1034714128.db2.gz PYJRDSAMSXQNHH-INIZCTEOSA-N 1 0 353.422 2.937 20 10 FFCDRO COC(=O)c1ccc2c(c1)CN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C2 ZINC001139259393 1035031932 /nfs/dbraw/zinc/03/19/32/1035031932.db2.gz UQDIACZTZPMUEH-UHFFFAOYSA-N 1 0 370.449 2.765 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1SC ZINC001202948114 1035166716 /nfs/dbraw/zinc/16/67/16/1035166716.db2.gz VOBVBTIRCMCQLJ-QRQLOZEOSA-N 1 0 367.534 2.576 20 10 FFCDRO Cc1cc(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)ccc1N(C)C ZINC001139671702 1035193928 /nfs/dbraw/zinc/19/39/28/1035193928.db2.gz OMPYZQNIHLRZOT-QZTJIDSGSA-N 1 0 353.466 2.858 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@H]3CN(Cc4ccncc4)C(=O)[C@H]3C2)ccc1N(C)C ZINC001139671147 1035194356 /nfs/dbraw/zinc/19/43/56/1035194356.db2.gz HORLSFAPOQDHDP-PMACEKPBSA-N 1 0 364.493 2.546 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)[C@H](COC)C1=O ZINC001139671431 1035194474 /nfs/dbraw/zinc/19/44/74/1035194474.db2.gz LXLAGZDZPFRZNX-LJQANCHMSA-N 1 0 373.541 2.768 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccnnc4)C3)C2)cc1 ZINC001139982245 1035297025 /nfs/dbraw/zinc/29/70/25/1035297025.db2.gz HMTPTIVUVPLTBJ-NRFANRHFSA-N 1 0 368.481 2.604 20 10 FFCDRO CCN1CC[C@@]2(CCC[N@H+](Cc3c(O)cccc3Br)C2)C1=O ZINC001140099381 1035342234 /nfs/dbraw/zinc/34/22/34/1035342234.db2.gz DLVURHXXXZDCOA-QGZVFWFLSA-N 1 0 367.287 2.989 20 10 FFCDRO CO[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140184946 1035371791 /nfs/dbraw/zinc/37/17/91/1035371791.db2.gz LVAQCTFICMDKLS-JKSUJKDBSA-N 1 0 350.459 2.733 20 10 FFCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000834517972 1035403101 /nfs/dbraw/zinc/40/31/01/1035403101.db2.gz BAZYWFGLYFXBFP-OAGGEKHMSA-N 1 0 358.461 2.950 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465599 1035485723 /nfs/dbraw/zinc/48/57/23/1035485723.db2.gz QUAFWMRINSTONL-XLIONFOSSA-N 1 0 371.868 2.969 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001140467721 1035486239 /nfs/dbraw/zinc/48/62/39/1035486239.db2.gz WFLYHQPQUWYIGK-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccnc2N2CCOCC2)cc1 ZINC000835035177 1035490689 /nfs/dbraw/zinc/49/06/89/1035490689.db2.gz GKNYBTJIHASNRC-HWKANZROSA-N 1 0 352.482 2.787 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1 ZINC000835036901 1035491607 /nfs/dbraw/zinc/49/16/07/1035491607.db2.gz RMCJQMKBXBFZNS-ONEGZZNKSA-N 1 0 352.482 2.787 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000835036788 1035491769 /nfs/dbraw/zinc/49/17/69/1035491769.db2.gz NLJRVSFFFVLYPO-DDKKJVIOSA-N 1 0 370.449 2.524 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000835046602 1035492641 /nfs/dbraw/zinc/49/26/41/1035492641.db2.gz LDETWUOAKZBIBX-ONEGZZNKSA-N 1 0 370.472 2.926 20 10 FFCDRO O[C@@]1(CF)CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232195786 1035495208 /nfs/dbraw/zinc/49/52/08/1035495208.db2.gz YZCZBMZIIBXLBN-SFHVURJKSA-N 1 0 356.869 2.863 20 10 FFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000835071956 1035509687 /nfs/dbraw/zinc/50/96/87/1035509687.db2.gz AKKZYMYETUFGFX-OAQYLSRUSA-N 1 0 354.494 2.833 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001277204583 1035527223 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COc1ccc(Br)c(CN2CCc3c(=O)[nH]ccc3C2)c1O ZINC001231558038 1037682685 /nfs/dbraw/zinc/68/26/85/1037682685.db2.gz XGRFWVKZWWTNKN-UHFFFAOYSA-N 1 0 365.227 2.822 20 10 FFCDRO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)ccc3ccccc32)O1 ZINC001231587661 1037709369 /nfs/dbraw/zinc/70/93/69/1037709369.db2.gz NXNYUOZARHWSLZ-NRSPTQNISA-N 1 0 366.461 2.803 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)c1O ZINC001231591774 1037711911 /nfs/dbraw/zinc/71/19/11/1037711911.db2.gz DFNIQVQVUGDKNC-FUHWJXTLSA-N 1 0 372.490 2.696 20 10 FFCDRO COc1cc(O)c(C[NH2+]C2(C)CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC001207814139 1037747194 /nfs/dbraw/zinc/74/71/94/1037747194.db2.gz RNUACSLPEYRRBQ-UHFFFAOYSA-N 1 0 352.431 2.508 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231633813 1037754358 /nfs/dbraw/zinc/75/43/58/1037754358.db2.gz YXMIYJKRHDGIAU-CQSZACIVSA-N 1 0 366.458 2.938 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2cc(OC)c(OC)c(OC)c2)c(O)cc1O ZINC001231637034 1037757607 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357.479 2.955 20 10 FFCDRO CO[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC001231848372 1037945530 /nfs/dbraw/zinc/94/55/30/1037945530.db2.gz HFHMPYYMCMQWPM-DOTOQJQBSA-N 1 0 350.459 2.733 20 10 FFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231854088 1037951914 /nfs/dbraw/zinc/95/19/14/1037951914.db2.gz YUUIYCZWWKAHCB-FQEVSTJZSA-N 1 0 361.530 2.836 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001231853440 1037951939 /nfs/dbraw/zinc/95/19/39/1037951939.db2.gz WXWXNXKROSPVQU-UHFFFAOYSA-N 1 0 372.513 2.925 20 10 FFCDRO COc1ccc(N2CCN(CC3(C[NH+](C)C)CCCC3)CC2)c(OC)c1 ZINC001208188103 1038122010 /nfs/dbraw/zinc/12/20/10/1038122010.db2.gz SUUQHEXZDRXGMU-UHFFFAOYSA-N 1 0 361.530 2.948 20 10 FFCDRO COc1ccc(N2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(OC)c1 ZINC001255681673 1038123383 /nfs/dbraw/zinc/12/33/83/1038123383.db2.gz ASDOEECQWSCYLA-JWTNVVGKSA-N 1 0 359.514 2.841 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 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COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC001237066897 1038431332 /nfs/dbraw/zinc/43/13/32/1038431332.db2.gz DIHCZDAQZAHCGU-LBPRGKRZSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(Br)c1 ZINC001237067345 1038432831 /nfs/dbraw/zinc/43/28/31/1038432831.db2.gz IHKQTGFJAMDXBF-GFCCVEGCSA-N 1 0 371.275 2.606 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237074042 1038436970 /nfs/dbraw/zinc/43/69/70/1038436970.db2.gz ZCWZDASMGIOIKK-MNOVXSKESA-N 1 0 372.259 2.794 20 10 FFCDRO Oc1ccc(Cl)c(Cl)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001237083252 1038440101 /nfs/dbraw/zinc/44/01/01/1038440101.db2.gz ANWMUPKGTFGOQX-UHFFFAOYSA-N 1 0 358.313 2.912 20 10 FFCDRO CO[C@H](C)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001256237061 1038445496 /nfs/dbraw/zinc/44/54/96/1038445496.db2.gz PYGLBVPYTVBSLB-APWZRJJASA-N 1 0 364.534 2.810 20 10 FFCDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237113292 1038447241 /nfs/dbraw/zinc/44/72/41/1038447241.db2.gz VLSLAIHSPCXSHY-UHFFFAOYSA-N 1 0 373.375 2.921 20 10 FFCDRO COCCCC[NH+]1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237124422 1038450338 /nfs/dbraw/zinc/45/03/38/1038450338.db2.gz AXBNAFSHUQKCCA-UHFFFAOYSA-N 1 0 362.392 2.835 20 10 FFCDRO CC[NH+](CC)C[C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237125527 1038451041 /nfs/dbraw/zinc/45/10/41/1038451041.db2.gz MGMDMMIHLFXDPG-ZDUSSCGKSA-N 1 0 362.392 2.833 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001256524592 1038545426 /nfs/dbraw/zinc/54/54/26/1038545426.db2.gz XNNOWYHZQMBZDO-KLHJMIIUSA-N 1 0 356.466 2.774 20 10 FFCDRO FC(F)(F)Oc1ccc(N2CC[NH+](CCCC3OCCO3)CC2)cc1 ZINC001209310240 1038754511 /nfs/dbraw/zinc/75/45/11/1038754511.db2.gz BUOWDEQVNBSFGN-UHFFFAOYSA-N 1 0 360.376 2.860 20 10 FFCDRO COC1(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)ccc2O)CCC1 ZINC001278615767 1038819595 /nfs/dbraw/zinc/81/95/95/1038819595.db2.gz XFZREJIOCMWRDC-ROUUACIJSA-N 1 0 358.482 2.835 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)Cc3cccnc3)CC2)cc1 ZINC001258613202 1039454418 /nfs/dbraw/zinc/45/44/18/1039454418.db2.gz LIUAYMXPQVJENP-LJQANCHMSA-N 1 0 368.525 2.823 20 10 FFCDRO C[C@H]1C[C@@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001246998874 1039569448 /nfs/dbraw/zinc/56/94/48/1039569448.db2.gz HFFGQHCYSOSFQI-RXVVDRJESA-N 1 0 366.509 2.923 20 10 FFCDRO O=S1(=O)CCc2cc(C[NH2+]Cc3ccc(N4CCCC4)cc3)ccc21 ZINC001252860062 1039743080 /nfs/dbraw/zinc/74/30/80/1039743080.db2.gz MAVBKPHVLIAGNJ-UHFFFAOYSA-N 1 0 356.491 2.906 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)n2)cc1 ZINC001247917538 1040047242 /nfs/dbraw/zinc/04/72/42/1040047242.db2.gz CAUJHFQRJPHXEU-QXAKKESOSA-N 1 0 364.449 2.921 20 10 FFCDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC001253844907 1040407145 /nfs/dbraw/zinc/40/71/45/1040407145.db2.gz GYQQQXNFQBINGM-HNNXBMFYSA-N 1 0 366.255 2.993 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1O)C2 ZINC001278745535 1040429471 /nfs/dbraw/zinc/42/94/71/1040429471.db2.gz BQNYHZLOCVGECU-IEZWGBDMSA-N 1 0 354.450 2.653 20 10 FFCDRO Cc1csc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC001253980532 1040490686 /nfs/dbraw/zinc/49/06/86/1040490686.db2.gz BVQBTFSOJKUAFW-UHFFFAOYSA-N 1 0 370.522 2.914 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)cc2F)CC1 ZINC001253990220 1040496326 /nfs/dbraw/zinc/49/63/26/1040496326.db2.gz PJKLBLCTSSHWBH-KRWDZBQOSA-N 1 0 357.477 2.680 20 10 FFCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc4c(c3O)C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249237517 1040644779 /nfs/dbraw/zinc/64/47/79/1040644779.db2.gz GSHXNKISUBRIFO-QFBILLFUSA-N 1 0 358.482 2.729 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccncc2Br)no1)c1ccccc1O ZINC001249339593 1040690336 /nfs/dbraw/zinc/69/03/36/1040690336.db2.gz MQSSTGSRVWPONQ-GFCCVEGCSA-N 1 0 361.199 2.842 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC001249725493 1040963725 /nfs/dbraw/zinc/96/37/25/1040963725.db2.gz PAPQMMZEICXQDU-FQEVSTJZSA-N 1 0 363.454 2.727 20 10 FFCDRO CC[C@H](C)N1CCC2(CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)C1=O ZINC001276705917 1041004256 /nfs/dbraw/zinc/00/42/56/1041004256.db2.gz VWOICWOHKUWPEU-AWEZNQCLSA-N 1 0 362.470 2.719 20 10 FFCDRO c1cncc(COc2ccc(N3CC[NH+](C4CCOCC4)CC3)cc2)c1 ZINC001255046019 1041119173 /nfs/dbraw/zinc/11/91/73/1041119173.db2.gz NNYRMSUCPLVMOP-UHFFFAOYSA-N 1 0 353.466 2.962 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(O)cc1Br ZINC001250133546 1041123860 /nfs/dbraw/zinc/12/38/60/1041123860.db2.gz NFAPBJOBZDMESE-UHFFFAOYSA-N 1 0 355.232 2.538 20 10 FFCDRO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(Cl)cc2O)[nH]1 ZINC001278553755 1041128805 /nfs/dbraw/zinc/12/88/05/1041128805.db2.gz FKLJHQAYFKLBMB-IRXDYDNUSA-N 1 0 359.857 2.995 20 10 FFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC001255180979 1041184009 /nfs/dbraw/zinc/18/40/09/1041184009.db2.gz NTWNCHXEVYGARG-VJDPLVQDSA-N 1 0 373.497 2.765 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC001278568637 1041204418 /nfs/dbraw/zinc/20/44/18/1041204418.db2.gz CQICYQHLXWALQV-WMLDXEAASA-N 1 0 360.889 2.968 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)c(O)cc1O ZINC001276708244 1041238709 /nfs/dbraw/zinc/23/87/09/1041238709.db2.gz JEXKKJFCSIUOCS-UHFFFAOYSA-N 1 0 362.470 2.577 20 10 FFCDRO COc1cccc([C@H](O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001250710590 1041319585 /nfs/dbraw/zinc/31/95/85/1041319585.db2.gz WCHRZGATAOUERK-OAQYLSRUSA-N 1 0 356.466 2.697 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)CSC)C[C@H]2C)cc1C ZINC001214341780 1041383901 /nfs/dbraw/zinc/38/39/01/1041383901.db2.gz VLDGXQIEOUJLPG-BFYDXBDKSA-N 1 0 350.528 2.939 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000401681995 1041746345 /nfs/dbraw/zinc/74/63/45/1041746345.db2.gz VULVFXLVUALSKF-INIZCTEOSA-N 1 0 364.442 2.999 20 10 FFCDRO CC(C)[NH2+]C1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC1 ZINC001262926851 1041967700 /nfs/dbraw/zinc/96/77/00/1041967700.db2.gz PVXYNOVSPAZWPO-UHFFFAOYSA-N 1 0 372.498 2.764 20 10 FFCDRO Cc1cccnc1[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001263764860 1042472408 /nfs/dbraw/zinc/47/24/08/1042472408.db2.gz VJNSCOSASIJLSH-KRWDZBQOSA-N 1 0 367.497 2.702 20 10 FFCDRO Cc1cc(O)ccc1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001263964955 1042553333 /nfs/dbraw/zinc/55/33/33/1042553333.db2.gz DLVXBDNMUSEGAE-HXUWFJFHSA-N 1 0 355.482 2.728 20 10 FFCDRO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2ccc[nH]2)c(OC)c1 ZINC001279351146 1043021416 /nfs/dbraw/zinc/02/14/16/1043021416.db2.gz PGMMDPBTJZOFEE-IYBDPMFKSA-N 1 0 357.454 2.586 20 10 FFCDRO Cc1cc(O)c(CN2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)cc1Cl ZINC001279433121 1043107516 /nfs/dbraw/zinc/10/75/16/1043107516.db2.gz NAUOSXUDULBMRY-MAUKXSAKSA-N 1 0 360.889 2.757 20 10 FFCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(Br)c1 ZINC001237410449 1043147362 /nfs/dbraw/zinc/14/73/62/1043147362.db2.gz DBVZBHZSATYGBZ-IAQYHMDHSA-N 1 0 355.276 2.737 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(Cl)cc2O)c1 ZINC001237444621 1043169338 /nfs/dbraw/zinc/16/93/38/1043169338.db2.gz QYVVQYXNLAYYTJ-KRWDZBQOSA-N 1 0 360.841 2.979 20 10 FFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c([O-])ccc(F)c3F)CC2)C1 ZINC001279489621 1043174438 /nfs/dbraw/zinc/17/44/38/1043174438.db2.gz MWOYJVCCHNGGLY-UHFFFAOYSA-N 1 0 367.484 2.910 20 10 FFCDRO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279490514 1043176728 /nfs/dbraw/zinc/17/67/28/1043176728.db2.gz RAQCKAJXRFZOPO-UHFFFAOYSA-N 1 0 353.413 2.686 20 10 FFCDRO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(C)cccc1O ZINC001237485725 1043198339 /nfs/dbraw/zinc/19/83/39/1043198339.db2.gz QWJIGFSJTSJRKR-OAHLLOKOSA-N 1 0 350.459 2.768 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001237486607 1043198972 /nfs/dbraw/zinc/19/89/72/1043198972.db2.gz SRYQKUJSFJHLFC-SJBKTWHCSA-N 1 0 367.493 2.959 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237668238 1043299284 /nfs/dbraw/zinc/29/92/84/1043299284.db2.gz AWKNJDJDSJLFGE-IBGZPJMESA-N 1 0 351.443 2.965 20 10 FFCDRO COc1cc(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237670688 1043301513 /nfs/dbraw/zinc/30/15/13/1043301513.db2.gz VXARTFDTPWHSOF-UHFFFAOYSA-N 1 0 366.458 2.708 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c(OC)c1 ZINC001237683096 1043308635 /nfs/dbraw/zinc/30/86/35/1043308635.db2.gz FBLFHRVQXOSJJE-OCCSQVGLSA-N 1 0 366.458 2.897 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3OC)C2)c(O)c(OC)c1 ZINC001237683298 1043308780 /nfs/dbraw/zinc/30/87/80/1043308780.db2.gz GMJWVJQDOVWVSX-HNNXBMFYSA-N 1 0 374.437 2.856 20 10 FFCDRO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C[C@@H]1C ZINC001237683936 1043310012 /nfs/dbraw/zinc/31/00/12/1043310012.db2.gz LPDCMFFRBLPJDU-KBPBESRZSA-N 1 0 351.443 2.821 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)cc1Br ZINC001237685067 1043311190 /nfs/dbraw/zinc/31/11/90/1043311190.db2.gz NBMQGWHSAKHLGN-SWLSCSKDSA-N 1 0 367.287 2.906 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc1Br ZINC001237687067 1043313270 /nfs/dbraw/zinc/31/32/70/1043313270.db2.gz ZBFYMSRXJNYNCK-CYBMUJFWSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)c1O ZINC001237685681 1043313555 /nfs/dbraw/zinc/31/35/55/1043313555.db2.gz NYNVGTUXUHTMLI-IBGZPJMESA-N 1 0 374.872 2.717 20 10 FFCDRO Cc1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)c(C(=O)c2ccccc2)c1 ZINC001237773020 1043349229 /nfs/dbraw/zinc/34/92/29/1043349229.db2.gz HUYWBYPUGPILFO-UHFFFAOYSA-N 1 0 372.490 2.967 20 10 FFCDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)NCC(F)F)ccc1N(C)C ZINC001279735153 1043555251 /nfs/dbraw/zinc/55/52/51/1043555251.db2.gz KACLRLLCZAPKHP-LVFSCSRESA-N 1 0 365.468 2.947 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)CCOC)cc1 ZINC001279748241 1043579730 /nfs/dbraw/zinc/57/97/30/1043579730.db2.gz WWGABZPDMGGATF-GHTZIAJQSA-N 1 0 359.514 2.602 20 10 FFCDRO CCCc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001238379788 1043677100 /nfs/dbraw/zinc/67/71/00/1043677100.db2.gz DWSUDIIAAXBGSH-UHFFFAOYSA-N 1 0 373.522 2.527 20 10 FFCDRO CO[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238801276 1043903663 /nfs/dbraw/zinc/90/36/63/1043903663.db2.gz OTRZPMHURDWLFY-JDGZLABWSA-N 1 0 374.466 2.757 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NCC1([NH+]2CCSCC2)CCCC1 ZINC001311582414 1043943427 /nfs/dbraw/zinc/94/34/27/1043943427.db2.gz BUUZNSHTMJJOEH-UHFFFAOYSA-N 1 0 367.490 2.692 20 10 FFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C2)C1 ZINC001279955815 1043980664 /nfs/dbraw/zinc/98/06/64/1043980664.db2.gz KXAKQAHDQGAXCQ-OAQYLSRUSA-N 1 0 358.482 2.873 20 10 FFCDRO O=C(c1ccc2c(n1)CC[N@@H+](Cc1ccccc1O)C2)N1CCCCO1 ZINC001279971177 1044008332 /nfs/dbraw/zinc/00/83/32/1044008332.db2.gz SDBIHLRPUADGIM-UHFFFAOYSA-N 1 0 353.422 2.513 20 10 FFCDRO COc1cccc(C[NH2+]C23CC(C(=O)NC4CCC(F)CC4)(C2)C3)c1O ZINC001279977761 1044024102 /nfs/dbraw/zinc/02/41/02/1044024102.db2.gz RWESNFGOOQCSIF-UHFFFAOYSA-N 1 0 362.445 2.810 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CC=CC3)C2)c1O ZINC001279982038 1044031190 /nfs/dbraw/zinc/03/11/90/1044031190.db2.gz UDCJSJKLWNIMJD-LAUBAEHRSA-N 1 0 356.466 2.791 20 10 FFCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001280067679 1044161670 /nfs/dbraw/zinc/16/16/70/1044161670.db2.gz LSZXDCJANKAYFZ-KNQAVFIVSA-N 1 0 353.510 2.863 20 10 FFCDRO O=C(Nc1cn[nH]c1)[C@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292110 1044560406 /nfs/dbraw/zinc/56/04/06/1044560406.db2.gz HKIWPNFBARHWSJ-VQIMIIECSA-N 1 0 358.417 2.885 20 10 FFCDRO CN(C(=O)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2)C1CC(F)(F)C1 ZINC001280298566 1044565799 /nfs/dbraw/zinc/56/57/99/1044565799.db2.gz OAVBFATUWWRTAM-UHFFFAOYSA-N 1 0 354.372 2.800 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)cc2F)CC1 ZINC001319701136 1045244005 /nfs/dbraw/zinc/24/40/05/1045244005.db2.gz CQXBZAHAJGFIFX-GOSISDBHSA-N 1 0 357.477 2.611 20 10 FFCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C ZINC001318433331 1045299336 /nfs/dbraw/zinc/29/93/36/1045299336.db2.gz KQJZJLRZWPVWMH-UHFFFAOYSA-N 1 0 371.441 2.987 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC001320131523 1045354407 /nfs/dbraw/zinc/35/44/07/1045354407.db2.gz TUDLHNBDCWSHGY-NVXWUHKLSA-N 1 0 374.506 2.958 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)C(=O)NCC(F)(F)F ZINC001320253034 1045375714 /nfs/dbraw/zinc/37/57/14/1045375714.db2.gz OJLZAFMONCPOGF-HTQZYQBOSA-N 1 0 369.181 2.872 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@](C)(CO)c3ccccc3)cc2F)CC1 ZINC001324311360 1045964719 /nfs/dbraw/zinc/96/47/19/1045964719.db2.gz ALINEWUXAIADNK-OAQYLSRUSA-N 1 0 357.473 2.575 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CN(C)Cc4ccccc43)cc2F)CC1 ZINC001323023874 1046312439 /nfs/dbraw/zinc/31/24/39/1046312439.db2.gz AABOGHRWZPMRQZ-NRFANRHFSA-N 1 0 368.500 2.854 20 10 FFCDRO Cc1ccc(F)cc1C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289600537 1047707405 /nfs/dbraw/zinc/70/74/05/1047707405.db2.gz RRSXWOGXXYNNDO-LJQANCHMSA-N 1 0 371.456 2.802 20 10 FFCDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328086415 1048171418 /nfs/dbraw/zinc/17/14/18/1048171418.db2.gz SDVBVVKEEJTOSJ-VGOFRKELSA-N 1 0 371.500 2.832 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)cc2F)CC1 ZINC001331966695 1048190105 /nfs/dbraw/zinc/19/01/05/1048190105.db2.gz UCQXRRYOOWFPRB-RXVVDRJESA-N 1 0 361.505 2.872 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC001332087051 1048241616 /nfs/dbraw/zinc/24/16/16/1048241616.db2.gz FHGNMDXSQGVKEV-XLIONFOSSA-N 1 0 359.514 2.650 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001332431908 1048392722 /nfs/dbraw/zinc/39/27/22/1048392722.db2.gz OFZJORCLCAGYPS-ZCNNSNEGSA-N 1 0 359.514 2.648 20 10 FFCDRO Cc1ncc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC001333748217 1049100205 /nfs/dbraw/zinc/10/02/05/1049100205.db2.gz OURUSGSSRHPNOA-KRWDZBQOSA-N 1 0 361.515 2.620 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC2(C3CC3)CCOCC2)[NH+](C)C)cc1 ZINC001333890800 1049160075 /nfs/dbraw/zinc/16/00/75/1049160075.db2.gz FXVMLYXRBSKFHR-IBGZPJMESA-N 1 0 374.529 2.614 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=CCC[NH2+]CC2)cc1 ZINC001341688795 1050310452 /nfs/dbraw/zinc/31/04/52/1050310452.db2.gz LXCZHHHKKYYAMC-FQEVSTJZSA-N 1 0 357.498 2.570 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)cc1 ZINC001340788059 1051134880 /nfs/dbraw/zinc/13/48/80/1051134880.db2.gz CBMVHBJLIFWAQB-WBTXTPOCSA-N 1 0 359.514 2.778 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340945430 1051276756 /nfs/dbraw/zinc/27/67/56/1051276756.db2.gz RQWSZIYRADTHMX-VGOFRKELSA-N 1 0 368.477 2.987 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001303801367 1051451016 /nfs/dbraw/zinc/45/10/16/1051451016.db2.gz MSYBSDFLFWREHF-RDTXWAMCSA-N 1 0 355.482 2.738 20 10 FFCDRO C[C@@H](CC[NH+](C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001542490751 1071242037 /nfs/dbraw/zinc/24/20/37/1071242037.db2.gz XQSFPIOBVRJXDF-FXAWDEMLSA-N 1 0 361.530 2.848 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccco3)n[nH]2)[NH+](C)C)cc1 ZINC001304768362 1051689993 /nfs/dbraw/zinc/68/99/93/1051689993.db2.gz LBEIBXOBIKDTLT-GOSISDBHSA-N 1 0 367.453 2.768 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC001345079561 1052244718 /nfs/dbraw/zinc/24/47/18/1052244718.db2.gz XSIOHIGXVXKLSI-IAGOWNOFSA-N 1 0 360.498 2.720 20 10 FFCDRO CCC1(CC)[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)[C@@H]1OC ZINC001307745610 1052344303 /nfs/dbraw/zinc/34/43/03/1052344303.db2.gz QZQNCRRZFANPFL-BEVDRBHNSA-N 1 0 361.530 2.798 20 10 FFCDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000753586057 1052381246 /nfs/dbraw/zinc/38/12/46/1052381246.db2.gz DOEPMHUPZPNVRD-UHFFFAOYSA-N 1 0 374.441 2.660 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC001308290797 1052442708 /nfs/dbraw/zinc/44/27/08/1052442708.db2.gz XOGUYISRMXMLAR-UWJYYQICSA-N 1 0 365.477 2.807 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001308551597 1052467938 /nfs/dbraw/zinc/46/79/38/1052467938.db2.gz NRPLVLDHBBNPCF-HDICACEKSA-N 1 0 374.529 2.584 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@@]3(C)CCCCO3)CC2)cc(OC)c1OC ZINC001308669916 1052484436 /nfs/dbraw/zinc/48/44/36/1052484436.db2.gz MAYOOKLMJCMKNN-HXUWFJFHSA-N 1 0 364.486 2.794 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(C2CC2)n1 ZINC001335433293 1053359889 /nfs/dbraw/zinc/35/98/89/1053359889.db2.gz PBBRKXZCBIDADR-UHFFFAOYSA-N 1 0 358.461 2.688 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]C[C@@H](O)C2CC2)NC(=O)OC(C)(C)C)cc1 ZINC001336733426 1054175460 /nfs/dbraw/zinc/17/54/60/1054175460.db2.gz QLCXRPZWEOYHSJ-QZTJIDSGSA-N 1 0 363.502 2.679 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000848895803 1055320432 /nfs/dbraw/zinc/32/04/32/1055320432.db2.gz YMXZQUZSFZYGNM-CMDGGOBGSA-N 1 0 356.422 2.592 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1O ZINC000848898793 1055324482 /nfs/dbraw/zinc/32/44/82/1055324482.db2.gz YLAFFVFLBPOFDS-LEWJYISDSA-N 1 0 354.494 2.927 20 10 FFCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000848925849 1055376455 /nfs/dbraw/zinc/37/64/55/1055376455.db2.gz FYIPEQOVNPWFJO-QGZVFWFLSA-N 1 0 364.449 2.747 20 10 FFCDRO Cc1ccc(NC(=[NH2+])NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC001349910316 1055535413 /nfs/dbraw/zinc/53/54/13/1055535413.db2.gz ASZBAIMCFTZVLH-QGZVFWFLSA-N 1 0 365.481 2.833 20 10 FFCDRO C[NH+](C)CCn1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000847569619 1056071883 /nfs/dbraw/zinc/07/18/83/1056071883.db2.gz GCPCJXBWITYPFR-UHFFFAOYSA-N 1 0 368.437 2.586 20 10 FFCDRO Nc1ccc(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001353147790 1056122490 /nfs/dbraw/zinc/12/24/90/1056122490.db2.gz CVNAXFMOUXIWNG-FQEVSTJZSA-N 1 0 350.466 2.734 20 10 FFCDRO C[C@H]1C[N@H+](CCCNCc2c(O)cccc2Br)CCCO1 ZINC001351331728 1056203229 /nfs/dbraw/zinc/20/32/29/1056203229.db2.gz ZKDMASYMUCTVEK-ZDUSSCGKSA-N 1 0 357.292 2.745 20 10 FFCDRO Cc1ccc(CNC(=[NH2+])NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000849116861 1056770750 /nfs/dbraw/zinc/77/07/50/1056770750.db2.gz ZBRPUYOMCXFKPL-UHFFFAOYSA-N 1 0 374.435 2.924 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccccn3)cc2F)CC1 ZINC001443593430 1058222204 /nfs/dbraw/zinc/22/22/04/1058222204.db2.gz TYNOAADFOVKMQU-INIZCTEOSA-N 1 0 370.472 2.783 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001454577717 1059572192 /nfs/dbraw/zinc/57/21/92/1059572192.db2.gz IFMJQZDMFBVHLX-KRWDZBQOSA-N 1 0 351.410 2.506 20 10 FFCDRO CCO[C@H](CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C[NH+](C)C ZINC001455563132 1059825088 /nfs/dbraw/zinc/82/50/88/1059825088.db2.gz SBVQWBIFVGVZOL-LJQANCHMSA-N 1 0 373.497 2.799 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(OCC(F)(F)F)o2)cc1 ZINC000848393475 1059925405 /nfs/dbraw/zinc/92/54/05/1059925405.db2.gz DGCKISXNGMQTQV-CYBMUJFWSA-N 1 0 371.359 2.717 20 10 FFCDRO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001517457458 1060511989 /nfs/dbraw/zinc/51/19/89/1060511989.db2.gz IPGPQOJLHTXLSZ-KBPBESRZSA-N 1 0 361.515 2.899 20 10 FFCDRO CCC(CC)(CCO)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001461259928 1061271343 /nfs/dbraw/zinc/27/13/43/1061271343.db2.gz BCWSJNPNQDNZNE-UHFFFAOYSA-N 1 0 351.510 2.856 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H](C2CC2)C(F)(F)F)[NH+](C)C)cc1 ZINC001476709928 1061463329 /nfs/dbraw/zinc/46/33/29/1061463329.db2.gz KGLHCVWMEKMYQO-CVEARBPZSA-N 1 0 372.435 2.995 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000765844684 1061598068 /nfs/dbraw/zinc/59/80/68/1061598068.db2.gz HSCPUWHRIKXQHB-QRWLVFNGSA-N 1 0 371.437 2.816 20 10 FFCDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001462376641 1061598764 /nfs/dbraw/zinc/59/87/64/1061598764.db2.gz NQRWRPAMUNLTAZ-OCCSQVGLSA-N 1 0 350.434 2.991 20 10 FFCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)C1 ZINC001477846192 1061817925 /nfs/dbraw/zinc/81/79/25/1061817925.db2.gz DKIHBPJJSNTXMU-INIZCTEOSA-N 1 0 350.482 2.955 20 10 FFCDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3cccc(Br)c3O)C[N@@H+]2C1 ZINC001528323175 1061860437 /nfs/dbraw/zinc/86/04/37/1061860437.db2.gz PFBRRMNNBWMCCB-BNOWGMLFSA-N 1 0 367.287 2.891 20 10 FFCDRO CC[NH+]1CCN(C2CN(C(=O)c3sccc3-n3c(C)ccc3C)C2)CC1 ZINC001522287991 1061876310 /nfs/dbraw/zinc/87/63/10/1061876310.db2.gz BXIIHXPDSKFBEO-UHFFFAOYSA-N 1 0 372.538 2.618 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001478174865 1061926843 /nfs/dbraw/zinc/92/68/43/1061926843.db2.gz QGPRCLYMCUILNR-GOEBONIOSA-N 1 0 357.429 2.994 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001478174866 1061927705 /nfs/dbraw/zinc/92/77/05/1061927705.db2.gz QGPRCLYMCUILNR-HOCLYGCPSA-N 1 0 357.429 2.994 20 10 FFCDRO COCCN(CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001479532215 1062502399 /nfs/dbraw/zinc/50/23/99/1062502399.db2.gz BLTDTZGZBKRKMR-LJQANCHMSA-N 1 0 364.534 2.669 20 10 FFCDRO COCCN(CC[NH+](C)C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001464999085 1062935317 /nfs/dbraw/zinc/93/53/17/1062935317.db2.gz ZXIIIYLBOCQMRL-UHFFFAOYSA-N 1 0 357.498 2.673 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2)CC1 ZINC001438903690 1063068025 /nfs/dbraw/zinc/06/80/25/1063068025.db2.gz SXVISOMNURDNAG-OAQYLSRUSA-N 1 0 363.505 2.860 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C(F)(F)F)[NH+](C)C)cc1 ZINC001466980309 1063609388 /nfs/dbraw/zinc/60/93/88/1063609388.db2.gz HEUUQULQVIUUIG-CQSZACIVSA-N 1 0 360.424 2.995 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001467944738 1063890843 /nfs/dbraw/zinc/89/08/43/1063890843.db2.gz ACIMBDRINLTMHZ-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001473237308 1065227129 /nfs/dbraw/zinc/22/71/29/1065227129.db2.gz BRFVHJCMFMZIJI-RTBURBONSA-N 1 0 361.530 2.894 20 10 FFCDRO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)C1 ZINC001473729684 1065335798 /nfs/dbraw/zinc/33/57/98/1065335798.db2.gz HIVBTSADWOEVAQ-NRFANRHFSA-N 1 0 371.481 2.879 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(C)c3)CC2)c(OC)c1 ZINC001473732523 1065338408 /nfs/dbraw/zinc/33/84/08/1065338408.db2.gz LFDWHJYFGPGUFJ-FQEVSTJZSA-N 1 0 356.466 2.868 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]Cc1nc(-c2ccccn2)n[nH]1 ZINC001474524155 1065543428 /nfs/dbraw/zinc/54/34/28/1065543428.db2.gz PONGGNTWYKEHSX-UHFFFAOYSA-N 1 0 360.215 2.625 20 10 FFCDRO CC1(C)[C@H](NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@@H]1[NH3+] ZINC001576385623 1078222736 /nfs/dbraw/zinc/22/27/36/1078222736.db2.gz ZXSSXSGGOXLRPF-UONOGXRCSA-N 1 0 350.426 2.644 20 10 FFCDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001578236984 1078453485 /nfs/dbraw/zinc/45/34/85/1078453485.db2.gz UTQLZCNWYORWBE-UXHICEINSA-N 1 0 353.466 2.706 20 10 FFCDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N)cc2)cc1C(F)(F)F ZINC001579350016 1078619644 /nfs/dbraw/zinc/61/96/44/1078619644.db2.gz IVKORUGMPNOYLG-UHFFFAOYSA-N 1 0 358.385 2.981 20 10 FFCDRO Cc1cc2c(cc1Br)N(C(=O)C1=CC[C@H]([NH3+])C1)C[C@@H](C)O2 ZINC001579643777 1078653309 /nfs/dbraw/zinc/65/33/09/1078653309.db2.gz IWMMVPSWOONSMK-PWSUYJOCSA-N 1 0 351.244 2.919 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC[NH+]1CCCC1 ZINC001554175189 1075609233 /nfs/dbraw/zinc/60/92/33/1075609233.db2.gz KFIPOUANFOQGNF-UHFFFAOYSA-N 1 0 355.486 2.983 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC001556481159 1075745557 /nfs/dbraw/zinc/74/55/57/1075745557.db2.gz MWEVYDPPOSYKPJ-ZDUSSCGKSA-N 1 0 355.276 2.893 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001557898532 1075907952 /nfs/dbraw/zinc/90/79/52/1075907952.db2.gz WBCJRJGLLLKDPK-YDNGGVEASA-N 1 0 366.461 2.995 20 10 FFCDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001560261068 1076258004 /nfs/dbraw/zinc/25/80/04/1076258004.db2.gz LYWVBHMOCZBZGY-UHFFFAOYSA-N 1 0 371.481 2.746 20 10 FFCDRO OCCOC1(C[NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC001560609488 1076283635 /nfs/dbraw/zinc/28/36/35/1076283635.db2.gz MKUGGNXUSWTPJG-UHFFFAOYSA-N 1 0 358.276 2.956 20 10 FFCDRO COc1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cc(OC)c1 ZINC001560622321 1076284969 /nfs/dbraw/zinc/28/49/69/1076284969.db2.gz LCYPUKJZQMWRLD-UHFFFAOYSA-N 1 0 356.466 2.873 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCOCCCNC(=O)OC(C)(C)C)c1O ZINC001560963130 1076313977 /nfs/dbraw/zinc/31/39/77/1076313977.db2.gz NZXZRZIQEDTXOL-UHFFFAOYSA-N 1 0 368.474 2.730 20 10 FFCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)cc(C)c1O ZINC001561014606 1076319802 /nfs/dbraw/zinc/31/98/02/1076319802.db2.gz VZSALKBPAHRFAL-HNNXBMFYSA-N 1 0 357.292 2.664 20 10 FFCDRO Cc1cc(CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001565193572 1076695725 /nfs/dbraw/zinc/69/57/25/1076695725.db2.gz CJGJNDWMXUYRMA-YLJYHZDGSA-N 1 0 352.482 2.940 20 10 FFCDRO Cc1cc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001565193569 1076695748 /nfs/dbraw/zinc/69/57/48/1076695748.db2.gz CJGJNDWMXUYRMA-FXAWDEMLSA-N 1 0 352.482 2.940 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3cnccc3n2)[NH+](C)C)cc1 ZINC001586060657 1079537887 /nfs/dbraw/zinc/53/78/87/1079537887.db2.gz JWLCLDKMLCCRQE-FQEVSTJZSA-N 1 0 363.465 2.729 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000373138515 512188608 /nfs/dbraw/zinc/18/86/08/512188608.db2.gz KWPPQEPMWDXSPW-LJQANCHMSA-N 1 0 358.457 2.996 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC000369045263 512199434 /nfs/dbraw/zinc/19/94/34/512199434.db2.gz GFHZMYZFXPRXCF-UHFFFAOYSA-N 1 0 353.532 2.566 20 10 FFCDRO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571732 507047565 /nfs/dbraw/zinc/04/75/65/507047565.db2.gz OTAUVMSQDXSGOG-QGZVFWFLSA-N 1 0 359.514 2.792 20 10 FFCDRO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387288 507086532 /nfs/dbraw/zinc/08/65/32/507086532.db2.gz KOXXMZMUEYMLET-MRXNPFEDSA-N 1 0 373.522 2.721 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3cccc4c3OCO4)SC2=S)CC1 ZINC000063823854 507773666 /nfs/dbraw/zinc/77/36/66/507773666.db2.gz IRNKFDFQHGEWIX-ZROIWOOFSA-N 1 0 362.476 2.711 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116305 507909941 /nfs/dbraw/zinc/90/99/41/507909941.db2.gz KEJDWAIEYLMKDI-ROUUACIJSA-N 1 0 355.486 2.722 20 10 FFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079410312 507959967 /nfs/dbraw/zinc/95/99/67/507959967.db2.gz UUIUPHVELLHKSC-CQSZACIVSA-N 1 0 350.434 2.862 20 10 FFCDRO CC[NH+](CC)CCSCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000074191375 507996359 /nfs/dbraw/zinc/99/63/59/507996359.db2.gz WSXZGQCSNARIDR-UHFFFAOYSA-N 1 0 351.516 2.553 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](c1ccccc1)C1CC1)cc2=O ZINC000179104027 509265859 /nfs/dbraw/zinc/26/58/59/509265859.db2.gz SSOGWGYBKUAAFL-GOSISDBHSA-N 1 0 366.421 2.853 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000163233352 509353829 /nfs/dbraw/zinc/35/38/29/509353829.db2.gz INTGUJLSRKREER-FXAWDEMLSA-N 1 0 356.514 2.911 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1OC ZINC000179590634 509526272 /nfs/dbraw/zinc/52/62/72/509526272.db2.gz APUUQMDTHCJVBW-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])s2)nnc1C1CC[NH2+]CC1 ZINC000192458049 509528129 /nfs/dbraw/zinc/52/81/29/509528129.db2.gz VEYOGBGVYJKJPH-UHFFFAOYSA-N 1 0 354.461 2.842 20 10 FFCDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000183254782 509682476 /nfs/dbraw/zinc/68/24/76/509682476.db2.gz OXPFEDODNHESJK-FQEVSTJZSA-N 1 0 354.498 2.870 20 10 FFCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176908311 509757303 /nfs/dbraw/zinc/75/73/03/509757303.db2.gz WLUZMLBPSKVIOJ-QGZVFWFLSA-N 1 0 358.486 2.576 20 10 FFCDRO CNC(=O)CC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000180378695 509894117 /nfs/dbraw/zinc/89/41/17/509894117.db2.gz FHDPIVCWEDKQQD-UHFFFAOYSA-N 1 0 355.276 2.811 20 10 FFCDRO COCCCCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183697844 509932724 /nfs/dbraw/zinc/93/27/24/509932724.db2.gz ZJOQIHLKNHAUPU-UHFFFAOYSA-N 1 0 352.475 2.651 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180718870 510071214 /nfs/dbraw/zinc/07/12/14/510071214.db2.gz XZEFWNKJZOKYHQ-UXBLZVDNSA-N 1 0 358.413 2.841 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180752172 510090881 /nfs/dbraw/zinc/09/08/81/510090881.db2.gz LLZUECCZGMIDAE-XSBJJCPUSA-N 1 0 366.461 2.792 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000193991255 510165602 /nfs/dbraw/zinc/16/56/02/510165602.db2.gz WYBNURQOKKJBKX-QHAWAJNXSA-N 1 0 356.510 2.943 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000178028080 510385481 /nfs/dbraw/zinc/38/54/81/510385481.db2.gz JNPCNJSUPFBVOC-OAHLLOKOSA-N 1 0 371.481 2.866 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c1O ZINC000266152875 510436181 /nfs/dbraw/zinc/43/61/81/510436181.db2.gz KXKKXIHZVFDEEI-SFHVURJKSA-N 1 0 367.449 2.719 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191605501 510747000 /nfs/dbraw/zinc/74/70/00/510747000.db2.gz SEOOJVVEBLRVQY-UHFFFAOYSA-N 1 0 366.509 2.986 20 10 FFCDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(F)ccc1O ZINC000185344181 510815171 /nfs/dbraw/zinc/81/51/71/510815171.db2.gz TWZLEDKRMWGNAP-HNAYVOBHSA-N 1 0 372.440 2.652 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000182317563 510849575 /nfs/dbraw/zinc/84/95/75/510849575.db2.gz FXOGYOQKVCKMHU-ZDUSSCGKSA-N 1 0 354.406 2.738 20 10 FFCDRO CCOCc1cc(C[NH2+][C@]2(CO)CCOc3ccccc32)ccc1OC ZINC000282196189 510882590 /nfs/dbraw/zinc/88/25/90/510882590.db2.gz CHXYSEWMGNEVPK-NRFANRHFSA-N 1 0 357.450 2.992 20 10 FFCDRO CCN(Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000297386267 510926293 /nfs/dbraw/zinc/92/62/93/510926293.db2.gz DSNVLKGAFWAIDM-INIZCTEOSA-N 1 0 368.543 2.557 20 10 FFCDRO CCN(Cc1ccc(N2CCC(OC)CC2)cc1)[C@H](C)CS(C)(=O)=O ZINC000297386277 510926342 /nfs/dbraw/zinc/92/63/42/510926342.db2.gz DSNVLKGAFWAIDM-MRXNPFEDSA-N 1 0 368.543 2.557 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1 ZINC000278450911 510993346 /nfs/dbraw/zinc/99/33/46/510993346.db2.gz LKVMVFYRERUDCC-GDBMZVCRSA-N 1 0 372.469 2.540 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000270854132 511005418 /nfs/dbraw/zinc/00/54/18/511005418.db2.gz MGBQALBXXYKBNH-UHFFFAOYSA-N 1 0 366.458 2.899 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000287180796 511043859 /nfs/dbraw/zinc/04/38/59/511043859.db2.gz VFKSPSUSWWMJAV-QWRGUYRKSA-N 1 0 362.289 2.630 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)cc1F ZINC000288486868 511077692 /nfs/dbraw/zinc/07/76/92/511077692.db2.gz QLRSMVXQZVBUMM-MRXNPFEDSA-N 1 0 359.445 2.992 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1O ZINC000282699070 511077787 /nfs/dbraw/zinc/07/77/87/511077787.db2.gz LVLLPRJJLIGXFQ-CQSZACIVSA-N 1 0 352.228 2.987 20 10 FFCDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(N2CCCCCC2)cc1 ZINC000289973557 511122891 /nfs/dbraw/zinc/12/28/91/511122891.db2.gz XMWDQIWDPMGVBC-KRWDZBQOSA-N 1 0 357.502 2.892 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000279778499 511212990 /nfs/dbraw/zinc/21/29/90/511212990.db2.gz LDEARHARTRXRRZ-UHFFFAOYSA-N 1 0 362.289 2.520 20 10 FFCDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]1C ZINC000280053278 511318632 /nfs/dbraw/zinc/31/86/32/511318632.db2.gz WFGAQHWCDJQDCV-NBHGPNQESA-N 1 0 374.525 2.963 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c(O)c1C ZINC000273426028 511526316 /nfs/dbraw/zinc/52/63/16/511526316.db2.gz UDCWLKVIRRUGPG-SFHVURJKSA-N 1 0 369.513 2.662 20 10 FFCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000273635078 511558941 /nfs/dbraw/zinc/55/89/41/511558941.db2.gz TUPIKHAOUMRIOB-KRWDZBQOSA-N 1 0 356.514 2.935 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1O ZINC000280832326 511620785 /nfs/dbraw/zinc/62/07/85/511620785.db2.gz WYHGZMPFGKIRHM-RDTXWAMCSA-N 1 0 363.479 2.973 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1 ZINC000296191205 511650932 /nfs/dbraw/zinc/65/09/32/511650932.db2.gz YLGLYYSAZMBAIY-UHFFFAOYSA-N 1 0 371.510 2.648 20 10 FFCDRO O=C(NCc1ccccc1O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000299483941 511655012 /nfs/dbraw/zinc/65/50/12/511655012.db2.gz HPSIHMQMVMSCAR-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272361 511680497 /nfs/dbraw/zinc/68/04/97/511680497.db2.gz DRCAUXREHWIUGH-OIRASMEMSA-N 1 0 373.902 2.883 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284509402 511752383 /nfs/dbraw/zinc/75/23/83/511752383.db2.gz BHQNEBVMIBXYOI-FQELHTAISA-N 1 0 369.513 2.889 20 10 FFCDRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000284545254 511765401 /nfs/dbraw/zinc/76/54/01/511765401.db2.gz BCXPWTVDSQCCTL-GOSISDBHSA-N 1 0 351.406 2.861 20 10 FFCDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293727021 512064538 /nfs/dbraw/zinc/06/45/38/512064538.db2.gz OBXZDLYVQYHHNM-HZPDHXFCSA-N 1 0 365.493 2.865 20 10 FFCDRO CN1CCN(C)[C@H](C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000293787727 512084419 /nfs/dbraw/zinc/08/44/19/512084419.db2.gz QLZGMYYMNDTOAV-TZIWHRDSSA-N 1 0 353.510 2.902 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)nc1 ZINC000375687649 512456796 /nfs/dbraw/zinc/45/67/96/512456796.db2.gz KGTNHXYAXHQAFW-UHFFFAOYSA-N 1 0 355.438 2.589 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1O ZINC000371845503 512600144 /nfs/dbraw/zinc/60/01/44/512600144.db2.gz FEKRSRHBCMJSAN-PBHICJAKSA-N 1 0 367.921 2.512 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369859032 512651277 /nfs/dbraw/zinc/65/12/77/512651277.db2.gz LUPHVXLSYVNDOB-VQTJNVASSA-N 1 0 374.529 2.536 20 10 FFCDRO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372413684 512862280 /nfs/dbraw/zinc/86/22/80/512862280.db2.gz PHOBCRXMGKIIFP-FQEVSTJZSA-N 1 0 357.498 2.500 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@]23CCOC3)C1 ZINC000422064391 513557317 /nfs/dbraw/zinc/55/73/17/513557317.db2.gz FHPJMGYUYHZOFC-JOCHJYFZSA-N 1 0 367.493 2.799 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000471590176 514943948 /nfs/dbraw/zinc/94/39/48/514943948.db2.gz UXWOCYTUFIZHME-HZPDHXFCSA-N 1 0 372.513 2.785 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000472200184 515167753 /nfs/dbraw/zinc/16/77/53/515167753.db2.gz ZVLIGGWZITUYIZ-INIZCTEOSA-N 1 0 372.513 2.787 20 10 FFCDRO CO[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C1CC1 ZINC000511560899 515943956 /nfs/dbraw/zinc/94/39/56/515943956.db2.gz PTGXETLWNWOXJC-OAQYLSRUSA-N 1 0 369.509 2.949 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2nncs2)C1 ZINC000572941251 518429806 /nfs/dbraw/zinc/42/98/06/518429806.db2.gz AQLKSRFXADEWTI-UHFFFAOYSA-N 1 0 369.494 2.922 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(C2)CCOC3)C1 ZINC000579364485 518646522 /nfs/dbraw/zinc/64/65/22/518646522.db2.gz JUPCGJIDDKMJMY-UHFFFAOYSA-N 1 0 367.493 2.657 20 10 FFCDRO CCn1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000618043165 520843282 /nfs/dbraw/zinc/84/32/82/520843282.db2.gz WRRJYASXJUOMRL-UHFFFAOYSA-N 1 0 365.481 2.685 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC(C[NH+](C)C)C2)CCCC1 ZINC000615502764 521423409 /nfs/dbraw/zinc/42/34/09/521423409.db2.gz OZRFRKDDTLXWHJ-UHFFFAOYSA-N 1 0 355.482 2.549 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH2+][C@H](C(C)C)C3)ccc21 ZINC000621153421 522662764 /nfs/dbraw/zinc/66/27/64/522662764.db2.gz RUMTZVLXDHHVSR-IBGZPJMESA-N 1 0 357.498 2.975 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738398628 598466084 /nfs/dbraw/zinc/46/60/84/598466084.db2.gz XREBPVQFRRDYAR-UHFFFAOYSA-N 1 0 360.215 2.625 20 10 FFCDRO CN1CCCc2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)ccc21 ZINC000821625684 607477221 /nfs/dbraw/zinc/47/72/21/607477221.db2.gz UCMCGMDHKGSKPO-UHFFFAOYSA-N 1 0 352.417 2.678 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000154900943 728814937 /nfs/dbraw/zinc/81/49/37/728814937.db2.gz ZKJBPCLOUHYDNC-INIZCTEOSA-N 1 0 367.559 2.998 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000898116915 735316475 /nfs/dbraw/zinc/31/64/75/735316475.db2.gz UTGCFNLHZKPKHP-AWEZNQCLSA-N 1 0 356.260 2.891 20 10 FFCDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000744450073 735356391 /nfs/dbraw/zinc/35/63/91/735356391.db2.gz KNERBKKMWNRRGO-UHFFFAOYSA-N 1 0 352.450 2.874 20 10 FFCDRO CS[C@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899097783 735447039 /nfs/dbraw/zinc/44/70/39/735447039.db2.gz GRGUPPIXHBOMQG-IRXDYDNUSA-N 1 0 350.532 2.502 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCSC)cc2F)CC1 ZINC000077668638 728282008 /nfs/dbraw/zinc/28/20/08/728282008.db2.gz GNKXIAZWSHQDAG-UHFFFAOYSA-N 1 0 368.522 2.520 20 10 FFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092733714 728470586 /nfs/dbraw/zinc/47/05/86/728470586.db2.gz LLAJEZGEDZDIJT-GFCCVEGCSA-N 1 0 355.276 2.893 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000121323232 728624468 /nfs/dbraw/zinc/62/44/68/728624468.db2.gz OMPOKKZZRYSJJZ-VWLOTQADSA-N 1 0 358.507 2.893 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000125522065 728684589 /nfs/dbraw/zinc/68/45/89/728684589.db2.gz MDUFYDKCAXBFGN-DNVCBOLYSA-N 1 0 368.905 2.616 20 10 FFCDRO [O-]c1c(Br)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134108979 728728691 /nfs/dbraw/zinc/72/86/91/728728691.db2.gz JAQUAQGYPYGVDN-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000182441026 729278330 /nfs/dbraw/zinc/27/83/30/729278330.db2.gz IHXBNGJYFUUABA-NSHDSACASA-N 1 0 364.471 2.884 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccccc2O)c(C)s1 ZINC000183623056 729308996 /nfs/dbraw/zinc/30/89/96/729308996.db2.gz XDJPXLDMEWAHGK-GFCCVEGCSA-N 1 0 354.497 2.700 20 10 FFCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000186421573 729364733 /nfs/dbraw/zinc/36/47/33/729364733.db2.gz ATOYJIIPBSGLBW-LLVKDONJSA-N 1 0 352.406 2.690 20 10 FFCDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCSc2nccs2)C1 ZINC000246061377 729579484 /nfs/dbraw/zinc/57/94/84/729579484.db2.gz ZEJHPCIUCJTULN-KBPBESRZSA-N 1 0 354.545 2.751 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000779038193 738431239 /nfs/dbraw/zinc/43/12/39/738431239.db2.gz JXWCQEBZDOLICM-UWVGGRQHSA-N 1 0 350.278 2.547 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000378870601 729830422 /nfs/dbraw/zinc/83/04/22/729830422.db2.gz MQLUWDWQKRTAAI-CYBMUJFWSA-N 1 0 350.415 2.610 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)C1 ZINC000924727063 738441962 /nfs/dbraw/zinc/44/19/62/738441962.db2.gz DGUFEENMKZMRFH-VBZNHOPUSA-N 1 0 359.539 2.905 20 10 FFCDRO CCOc1cncc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000856717670 730349450 /nfs/dbraw/zinc/34/94/50/730349450.db2.gz HBFLCQLUXMRYOF-DHDCSXOGSA-N 1 0 363.508 2.776 20 10 FFCDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143133 730417746 /nfs/dbraw/zinc/41/77/46/730417746.db2.gz GEKMZESJUFVVCS-UHFFFAOYSA-N 1 0 351.397 2.842 20 10 FFCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000858766497 730433165 /nfs/dbraw/zinc/43/31/65/730433165.db2.gz NMMPYPWQAHXVLG-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO COC1CC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000860242428 730493183 /nfs/dbraw/zinc/49/31/83/730493183.db2.gz QTRJXABAYMWGMQ-NRAUKZCXSA-N 1 0 352.862 2.551 20 10 FFCDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000925101453 738478389 /nfs/dbraw/zinc/47/83/89/738478389.db2.gz HPQBMXGWKXPGIA-JTQLQIEISA-N 1 0 362.480 2.506 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000865710969 730988443 /nfs/dbraw/zinc/98/84/43/730988443.db2.gz GLLVKNSXPGKKSO-KBUNVGBDSA-N 1 0 358.154 2.565 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 ZINC000866492035 731066566 /nfs/dbraw/zinc/06/65/66/731066566.db2.gz CCWFZLFUCAYIBV-LXZKKBNFSA-N 1 0 350.459 2.722 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)cc1 ZINC000866577332 731076100 /nfs/dbraw/zinc/07/61/00/731076100.db2.gz FVYNSAIAOIWZAO-OAHLLOKOSA-N 1 0 362.495 2.810 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc21 ZINC000655517474 731466556 /nfs/dbraw/zinc/46/65/56/731466556.db2.gz COZQSGSUMKFTRQ-HNNXBMFYSA-N 1 0 357.376 2.524 20 10 FFCDRO CN(C)[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000922750807 738195285 /nfs/dbraw/zinc/19/52/85/738195285.db2.gz FWRJCANUYKNWGL-KRWDZBQOSA-N 1 0 359.436 2.620 20 10 FFCDRO CONC(=O)C1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000872791945 731831937 /nfs/dbraw/zinc/83/19/37/731831937.db2.gz LPXWCNVENKSJIN-UHFFFAOYSA-N 1 0 350.459 2.588 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)[C@H]3CC3(F)F)CC2)cc1 ZINC000876900309 732294580 /nfs/dbraw/zinc/29/45/80/732294580.db2.gz HNGHYEQDEUONIV-CRAIPNDOSA-N 1 0 353.457 2.841 20 10 FFCDRO O=C1C[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCN1 ZINC000877071048 732321634 /nfs/dbraw/zinc/32/16/34/732321634.db2.gz CIDPWBIZEZPCNQ-KGLIPLIRSA-N 1 0 353.413 2.515 20 10 FFCDRO Cc1ccc(C[NH2+]C2(CNC(=O)OC(C)(C)C)CCOCC2)c(O)c1 ZINC000877656587 732406944 /nfs/dbraw/zinc/40/69/44/732406944.db2.gz MTICZZHTKBXCFD-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@H]2C1 ZINC000877793006 732433195 /nfs/dbraw/zinc/43/31/95/732433195.db2.gz LSUQHFWMYGTFLZ-HKUYNNGSSA-N 1 0 357.475 2.926 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(Br)no1)c1ccc(N(C)C)cc1 ZINC000878454897 732535220 /nfs/dbraw/zinc/53/52/20/732535220.db2.gz KJHUOHNGVMNRHB-ZWNOBZJWSA-N 1 0 354.248 2.887 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCO[C@H]2CCOC2)c1O ZINC000927078962 738689060 /nfs/dbraw/zinc/68/90/60/738689060.db2.gz BEXQBJJBHAAMDP-PWSUYJOCSA-N 1 0 360.248 2.619 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCOCC2)c1ccc(Br)cc1O ZINC000927156836 738698053 /nfs/dbraw/zinc/69/80/53/738698053.db2.gz RYQDZBJYWCNNSX-LKTVYLICSA-N 1 0 356.260 2.735 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(-c4ccon4)s3)cc2)CC1 ZINC000882880143 733306483 /nfs/dbraw/zinc/30/64/83/733306483.db2.gz DCWGRSVSVMNCTO-UHFFFAOYSA-N 1 0 356.455 2.557 20 10 FFCDRO CCOC(=O)c1csc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882879678 733306631 /nfs/dbraw/zinc/30/66/31/733306631.db2.gz HLIAHPJINXEUPY-UHFFFAOYSA-N 1 0 360.483 2.684 20 10 FFCDRO CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666659 734206069 /nfs/dbraw/zinc/20/60/69/734206069.db2.gz OPLHXDISTYLCHT-QGZVFWFLSA-N 1 0 364.559 2.721 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2scnc2Cl)[NH+](C)C)cc1 ZINC000891252048 734404967 /nfs/dbraw/zinc/40/49/67/734404967.db2.gz FFZTZIBATSKZFP-CYBMUJFWSA-N 1 0 352.891 2.895 20 10 FFCDRO CCc1nc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891255627 734405461 /nfs/dbraw/zinc/40/54/61/734405461.db2.gz QUBILJMKMSMXOG-QGZVFWFLSA-N 1 0 360.527 2.733 20 10 FFCDRO CCC1([NH3+])CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000891368493 734420257 /nfs/dbraw/zinc/42/02/57/734420257.db2.gz CNQGNGBBZDWNKD-UHFFFAOYSA-N 1 0 362.543 2.653 20 10 FFCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000892606595 734579955 /nfs/dbraw/zinc/57/99/55/734579955.db2.gz JNIFFJBCJYSKKW-LBPRGKRZSA-N 1 0 360.376 2.583 20 10 FFCDRO CCCCNC(=S)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000730155937 734618800 /nfs/dbraw/zinc/61/88/00/734618800.db2.gz DLTIILJZPYIDKB-UHFFFAOYSA-N 1 0 352.523 2.732 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCSC)cc2F)CC1 ZINC000736012501 734972554 /nfs/dbraw/zinc/97/25/54/734972554.db2.gz BGMRLHUMJVTFTB-UHFFFAOYSA-N 1 0 353.507 2.727 20 10 FFCDRO Oc1ccc(Br)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897261341 735212093 /nfs/dbraw/zinc/21/20/93/735212093.db2.gz FSDKORYBRADRIO-AWEZNQCLSA-N 1 0 356.260 2.661 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443413 738891889 /nfs/dbraw/zinc/89/18/89/738891889.db2.gz SBGNWDWGGDZFRW-INWMFGNUSA-N 1 0 352.862 2.551 20 10 FFCDRO C[C@@H]1CC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)C1 ZINC000747916480 735603064 /nfs/dbraw/zinc/60/30/64/735603064.db2.gz RTIGJTNXWQWNKO-HOTGVXAUSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCC1 ZINC000749131150 735696923 /nfs/dbraw/zinc/69/69/23/735696923.db2.gz GMXLQEGJUWCXPZ-INIZCTEOSA-N 1 0 350.528 2.980 20 10 FFCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)C1CCCCC1 ZINC000789348116 739340750 /nfs/dbraw/zinc/34/07/50/739340750.db2.gz JUVIWFKEXSMLSQ-KRWDZBQOSA-N 1 0 355.862 2.962 20 10 FFCDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000903188531 736051430 /nfs/dbraw/zinc/05/14/30/736051430.db2.gz FESGXSCAOJEEJZ-AWEZNQCLSA-N 1 0 352.500 2.610 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000904392740 736248256 /nfs/dbraw/zinc/24/82/56/736248256.db2.gz YQICBOYNYPJACX-AWEZNQCLSA-N 1 0 369.303 2.793 20 10 FFCDRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000755527647 736259404 /nfs/dbraw/zinc/25/94/04/736259404.db2.gz AISRHNSXIXXPQW-CRAIPNDOSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCOC1 ZINC000755527653 736259480 /nfs/dbraw/zinc/25/94/80/736259480.db2.gz AISRHNSXIXXPQW-YJBOKZPZSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000756458704 736332984 /nfs/dbraw/zinc/33/29/84/736332984.db2.gz KDJVYPFTLHGAEG-AAEUAGOBSA-N 1 0 365.813 2.865 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756552730 736342262 /nfs/dbraw/zinc/34/22/62/736342262.db2.gz HBWZVDAYQBENFY-NWDGAFQWSA-N 1 0 374.298 2.580 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000760451553 736640140 /nfs/dbraw/zinc/64/01/40/736640140.db2.gz NICUDGIHMZQOOR-HNNXBMFYSA-N 1 0 361.364 2.988 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nnc(COC)s3)cc2F)CC1 ZINC000763352593 736930120 /nfs/dbraw/zinc/93/01/20/736930120.db2.gz ITBPMAOTRIXGBX-UHFFFAOYSA-N 1 0 365.478 2.578 20 10 FFCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765287173 737105012 /nfs/dbraw/zinc/10/50/12/737105012.db2.gz SEYOXYOYRVQMMY-HUUCEWRRSA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[S@@](C)=O ZINC000765285445 737105045 /nfs/dbraw/zinc/10/50/45/737105045.db2.gz IOUIHTHMCUQDCV-LFPIHBKWSA-N 1 0 353.488 2.832 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(F)cc1 ZINC000765978665 737180041 /nfs/dbraw/zinc/18/00/41/737180041.db2.gz DVYIJDZIVJGKBJ-HNNXBMFYSA-N 1 0 362.470 2.911 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)O[C@@H]1CCOC1 ZINC000914156620 737516971 /nfs/dbraw/zinc/51/69/71/737516971.db2.gz CUYTWOXNUQVWRX-LSDHHAIUSA-N 1 0 354.834 2.525 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000772951743 737858703 /nfs/dbraw/zinc/85/87/03/737858703.db2.gz XTZPVHRWMZLCBP-ZDUSSCGKSA-N 1 0 367.540 2.915 20 10 FFCDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004153 737863236 /nfs/dbraw/zinc/86/32/36/737863236.db2.gz GLOJEWAXXBZBTQ-HUUCEWRRSA-N 1 0 365.905 2.837 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000815110499 741902537 /nfs/dbraw/zinc/90/25/37/741902537.db2.gz WUOXWWDCVSZYFS-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)ccc1O ZINC000775522604 738098851 /nfs/dbraw/zinc/09/88/51/738098851.db2.gz VNJQYXHQZVDBFN-WPGHFRTFSA-N 1 0 357.292 2.915 20 10 FFCDRO COc1cc(C)nc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1 ZINC000776727499 738226017 /nfs/dbraw/zinc/22/60/17/738226017.db2.gz YQFZMNYFLPSNQB-GDNBJRDFSA-N 1 0 363.508 2.694 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCS1 ZINC000924004791 738357078 /nfs/dbraw/zinc/35/70/78/738357078.db2.gz BDLYDKNRRHXLFH-NVXWUHKLSA-N 1 0 362.543 2.522 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C[C@H]1CCCS1(=O)=O ZINC000929755161 739018416 /nfs/dbraw/zinc/01/84/16/739018416.db2.gz JQQSICXPGNQEIQ-CYBMUJFWSA-N 1 0 362.289 2.554 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOCC1 ZINC000787449951 739137819 /nfs/dbraw/zinc/13/78/19/739137819.db2.gz NDDVUGKFMGTSTA-RHSMWYFYSA-N 1 0 366.889 2.943 20 10 FFCDRO COc1cc(O)c(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)cc1OC ZINC000789866130 739392420 /nfs/dbraw/zinc/39/24/20/739392420.db2.gz KMRIBFOYZOETPP-SREVYHEPSA-N 1 0 352.431 2.580 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC000790540635 739467397 /nfs/dbraw/zinc/46/73/97/739467397.db2.gz VZDKMWQRXIOIBZ-QGZVFWFLSA-N 1 0 350.482 2.811 20 10 FFCDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792998404 739728753 /nfs/dbraw/zinc/72/87/53/739728753.db2.gz VGPGNESBANMPTQ-AXAPSJFSSA-N 1 0 355.404 2.870 20 10 FFCDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1=O ZINC000792998929 739729494 /nfs/dbraw/zinc/72/94/94/739729494.db2.gz VGPGNESBANMPTQ-KFNAQCHYSA-N 1 0 355.404 2.870 20 10 FFCDRO COc1cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(O)cc1C ZINC000799138835 740391354 /nfs/dbraw/zinc/39/13/54/740391354.db2.gz IJPNJEMTABRHPR-UHFFFAOYSA-N 1 0 360.376 2.600 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805185073 740948230 /nfs/dbraw/zinc/94/82/30/740948230.db2.gz WUSKKHSYRGZLJE-LBPRGKRZSA-N 1 0 370.291 2.686 20 10 FFCDRO CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136771 741042269 /nfs/dbraw/zinc/04/22/69/741042269.db2.gz CEXFMJCPDFIKFH-CZUORRHYSA-N 1 0 353.894 2.674 20 10 FFCDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000806139068 741042992 /nfs/dbraw/zinc/04/29/92/741042992.db2.gz IDSXGRDFSCBHPI-MSOLQXFVSA-N 1 0 350.528 2.836 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000808706432 741254295 /nfs/dbraw/zinc/25/42/95/741254295.db2.gz JZJBOUQQZZGZSP-WBMJQRKESA-N 1 0 352.862 2.785 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000809700775 741333788 /nfs/dbraw/zinc/33/37/88/741333788.db2.gz NZJPYPDGTPLMDN-DZGCQCFKSA-N 1 0 369.303 2.758 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000809712822 741335684 /nfs/dbraw/zinc/33/56/84/741335684.db2.gz FSIBQUAKICOHRI-UHFFFAOYSA-N 1 0 363.259 2.703 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)cn1C ZINC000809713755 741336098 /nfs/dbraw/zinc/33/60/98/741336098.db2.gz ZCFRZJLNLLICRW-UHFFFAOYSA-N 1 0 353.216 2.570 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(O)cc1C ZINC000811786605 741558408 /nfs/dbraw/zinc/55/84/08/741558408.db2.gz SQKMSQDZINQCTO-LBPRGKRZSA-N 1 0 360.376 2.600 20 10 FFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C(C)=O)c3O)[C@H]2C1 ZINC000815139542 741905812 /nfs/dbraw/zinc/90/58/12/741905812.db2.gz JMVMOLDQCWRVRK-DLBZAZTESA-N 1 0 352.862 2.543 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1O ZINC000817864734 742219303 /nfs/dbraw/zinc/21/93/03/742219303.db2.gz BAYDITDTRDBMIC-WZRBSPASSA-N 1 0 357.292 2.969 20 10 FFCDRO COC[C@]1(CN[C@H](C)c2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000817974291 742225912 /nfs/dbraw/zinc/22/59/12/742225912.db2.gz KODVWQRITBWDJM-MLGOLLRUSA-N 1 0 357.292 2.882 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnn(CC(F)F)c3)C2)cc1 ZINC000818220250 742251377 /nfs/dbraw/zinc/25/13/77/742251377.db2.gz GTIZFYIJGHOYOY-CQSZACIVSA-N 1 0 350.413 2.773 20 10 FFCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000818351378 742266060 /nfs/dbraw/zinc/26/60/60/742266060.db2.gz ROAYYJGXIGBFDM-AWEZNQCLSA-N 1 0 374.934 2.652 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(C(F)(F)F)c1 ZINC000824501391 743093145 /nfs/dbraw/zinc/09/31/45/743093145.db2.gz JSOPITALFGEONB-SJORKVTESA-N 1 0 357.420 2.676 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824655207 743124681 /nfs/dbraw/zinc/12/46/81/743124681.db2.gz VARNBWDFJPIVFG-GLQYFDAESA-N 1 0 356.260 2.517 20 10 FFCDRO Oc1cc(Br)ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000824803435 743151465 /nfs/dbraw/zinc/15/14/65/743151465.db2.gz WMLYOSRJYLAIPI-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000824902625 743175595 /nfs/dbraw/zinc/17/55/95/743175595.db2.gz ZNZRIBKQDGUMHF-HNNXBMFYSA-N 1 0 356.260 2.925 20 10 FFCDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)[nH]1 ZINC000824933929 743180870 /nfs/dbraw/zinc/18/08/70/743180870.db2.gz LFNGTXWJRSADJW-GFCCVEGCSA-N 1 0 351.248 2.961 20 10 FFCDRO COc1cccc([C@H](O)C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825283369 743240946 /nfs/dbraw/zinc/24/09/46/743240946.db2.gz KOWQHLUDJCDUNH-MRXNPFEDSA-N 1 0 352.228 2.987 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000825342499 743252433 /nfs/dbraw/zinc/25/24/33/743252433.db2.gz DCHBHRGNDREZIS-INIZCTEOSA-N 1 0 352.228 2.987 20 10 FFCDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825550049 743292090 /nfs/dbraw/zinc/29/20/90/743292090.db2.gz WJXFEWUIGMMPDC-KBPBESRZSA-N 1 0 372.259 2.697 20 10 FFCDRO CCC[C@@H](OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095335 743504625 /nfs/dbraw/zinc/50/46/25/743504625.db2.gz DRKALASFCCZNIH-NVXWUHKLSA-N 1 0 354.878 2.941 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000827204252 743532151 /nfs/dbraw/zinc/53/21/51/743532151.db2.gz PQGUARSMWVUTFV-UHFFFAOYSA-N 1 0 358.276 2.827 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)[C@]1(O)CCCOC1 ZINC000827596147 743608827 /nfs/dbraw/zinc/60/88/27/743608827.db2.gz VRTRTAJJGQRIJO-INIZCTEOSA-N 1 0 358.276 2.812 20 10 FFCDRO CO[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000830545064 745378357 /nfs/dbraw/zinc/37/83/57/745378357.db2.gz WFTCUXPJHVJNHF-SJLPKXTDSA-N 1 0 366.889 2.941 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000831052346 745473457 /nfs/dbraw/zinc/47/34/57/745473457.db2.gz RYFPDGUKSBKNCI-HOTGVXAUSA-N 1 0 358.511 2.919 20 10 FFCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000831143137 745489706 /nfs/dbraw/zinc/48/97/06/745489706.db2.gz GBCOYRUQPZWTSS-INIZCTEOSA-N 1 0 351.466 2.507 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cncc(C(F)(F)F)c2)cc1 ZINC000832284817 745671500 /nfs/dbraw/zinc/67/15/00/745671500.db2.gz MUNIKZIGEMYFRS-HNNXBMFYSA-N 1 0 352.360 2.596 20 10 FFCDRO COc1cccc(Cl)c1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286362 745671985 /nfs/dbraw/zinc/67/19/85/745671985.db2.gz YKOPADUVAFDPGD-QGZVFWFLSA-N 1 0 361.873 2.773 20 10 FFCDRO CCN(C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1)S(C)(=O)=O ZINC000835028148 745932656 /nfs/dbraw/zinc/93/26/56/745932656.db2.gz KBPLDXLGYIVVHD-VOTSOKGWSA-N 1 0 365.543 2.512 20 10 FFCDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000835028935 745933282 /nfs/dbraw/zinc/93/32/82/745933282.db2.gz NWCLPUMLIQOWFM-DWTRPJMMSA-N 1 0 355.404 2.861 20 10 FFCDRO COc1cc(N2CC[NH+](CCc3cncs3)CC2)cc(OC)c1OC ZINC000839556605 746855075 /nfs/dbraw/zinc/85/50/75/746855075.db2.gz LPUXJTUMIUGTEQ-UHFFFAOYSA-N 1 0 363.483 2.534 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000840975190 747247738 /nfs/dbraw/zinc/24/77/38/747247738.db2.gz DTURPXQURHLZMZ-IEZWGBDMSA-N 1 0 352.544 2.937 20 10 FFCDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]CCC2(F)F)ccc1N1CCCCC1 ZINC000841082217 747265761 /nfs/dbraw/zinc/26/57/61/747265761.db2.gz XCPOEUPQOODISX-MRXNPFEDSA-N 1 0 354.401 2.672 20 10 FFCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706006 747436793 /nfs/dbraw/zinc/43/67/93/747436793.db2.gz BIMFCGWDOLZOGF-GOSISDBHSA-N 1 0 362.543 2.523 20 10 FFCDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707655 747437673 /nfs/dbraw/zinc/43/76/73/747437673.db2.gz WYRNDCPJVSTSFC-RDJZCZTQSA-N 1 0 362.543 2.509 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841921081 747486268 /nfs/dbraw/zinc/48/62/68/747486268.db2.gz OUBVRVXWBKICIT-CQSZACIVSA-N 1 0 370.291 2.828 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000841985779 747497365 /nfs/dbraw/zinc/49/73/65/747497365.db2.gz BQEPUZACMLJSCS-BXUZGUMPSA-N 1 0 370.291 2.684 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000842918757 747720836 /nfs/dbraw/zinc/72/08/36/747720836.db2.gz IOGLATLHVNDFKM-ZBEGNZNMSA-N 1 0 358.276 2.983 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c1 ZINC000843421292 747834011 /nfs/dbraw/zinc/83/40/11/747834011.db2.gz BAANSAPVNJZYRG-UHFFFAOYSA-N 1 0 351.443 2.629 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843487051 747843939 /nfs/dbraw/zinc/84/39/39/747843939.db2.gz MZOCJBMOAJSOCK-MNOVXSKESA-N 1 0 365.275 2.717 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000844400023 748020702 /nfs/dbraw/zinc/02/07/02/748020702.db2.gz SPTSBXIGYDXJPH-OAHLLOKOSA-N 1 0 361.511 2.830 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844433393 748028679 /nfs/dbraw/zinc/02/86/79/748028679.db2.gz FVQVGGJWQBRXNP-GOSISDBHSA-N 1 0 351.441 2.832 20 10 FFCDRO CC[N@H+](CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1)C(C)C ZINC000844945007 748142225 /nfs/dbraw/zinc/14/22/25/748142225.db2.gz HGFYLLZZVAKTBI-UHFFFAOYSA-N 1 0 350.507 2.503 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)c1 ZINC000846146064 748415118 /nfs/dbraw/zinc/41/51/18/748415118.db2.gz PUKWJIDHAKKIMC-CHWSQXEVSA-N 1 0 364.467 2.721 20 10 FFCDRO C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]1CC[NH3+] ZINC000846695661 748525191 /nfs/dbraw/zinc/52/51/91/748525191.db2.gz VYXGMGSELOTIIX-SUMWQHHRSA-N 1 0 358.511 2.906 20 10 FFCDRO C[N@H+](Cc1ccccc1O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846824203 748552552 /nfs/dbraw/zinc/55/25/52/748552552.db2.gz KHFGIZHFFLJCRU-IBGZPJMESA-N 1 0 350.459 2.586 20 10 FFCDRO CC[C@](C)(CO)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847590960 748736594 /nfs/dbraw/zinc/73/65/94/748736594.db2.gz LPUVTDRMGQBUPZ-CRAIPNDOSA-N 1 0 354.878 2.535 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000848532834 748952415 /nfs/dbraw/zinc/95/24/15/748952415.db2.gz FMGCQDLXPWJQMQ-CMPLNLGQSA-N 1 0 371.275 2.823 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(=O)OC(C)(C)C ZINC000848566152 748962358 /nfs/dbraw/zinc/96/23/58/748962358.db2.gz RQWXQCRMHOYWGQ-CQSZACIVSA-N 1 0 352.450 2.730 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000848596073 748970201 /nfs/dbraw/zinc/97/02/01/748970201.db2.gz RYHRKGZELWRARS-CQSZACIVSA-N 1 0 357.332 2.587 20 10 FFCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356362 749350918 /nfs/dbraw/zinc/35/09/18/749350918.db2.gz RPLBZBHVWQGQFN-SJLPKXTDSA-N 1 0 350.528 2.837 20 10 FFCDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(OC)c1O)CC(C)C ZINC000073596738 845572771 /nfs/dbraw/zinc/57/27/71/845572771.db2.gz WKQKTOWRTKEOKK-INIZCTEOSA-N 1 0 351.491 2.957 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)c(O)c1OC ZINC000893238989 971053461 /nfs/dbraw/zinc/05/34/61/971053461.db2.gz XCMOULYDVWIILD-QGZVFWFLSA-N 1 0 370.449 2.690 20 10 FFCDRO CN1C[C@@H](CC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CC1=O ZINC000896310792 971415968 /nfs/dbraw/zinc/41/59/68/971415968.db2.gz OAIPTKNYDZKJNU-KRWDZBQOSA-N 1 0 354.450 2.929 20 10 FFCDRO COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000896363039 971457880 /nfs/dbraw/zinc/45/78/80/971457880.db2.gz WHDJYVHGNSVRBS-IBGZPJMESA-N 1 0 358.438 2.765 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)OCC1=O ZINC001275894091 1013151032 /nfs/dbraw/zinc/15/10/32/1013151032.db2.gz OYCGHYWOGHWNCK-SCLBCKFNSA-N 1 0 352.862 2.647 20 10 FFCDRO O=C1N(Cc2ncccn2)CC[C@]12CCC[N@H+]2Cc1ccc(Cl)cc1O ZINC001275895532 1013155816 /nfs/dbraw/zinc/15/58/16/1013155816.db2.gz KYSBPKAIZCZMAD-LJQANCHMSA-N 1 0 372.856 2.603 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001271241376 972392032 /nfs/dbraw/zinc/39/20/32/972392032.db2.gz BVTWSXKXKPMCKI-UHFFFAOYSA-N 1 0 372.387 2.978 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](C)[C@H]3CCCCN(C)C3=O)cc2)CC1 ZINC000872265273 1013191839 /nfs/dbraw/zinc/19/18/39/1013191839.db2.gz GQEQZFJWOSZZPJ-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872281186 1013197936 /nfs/dbraw/zinc/19/79/36/1013197936.db2.gz QKZMWOQHIQVCRG-FQEVSTJZSA-N 1 0 359.514 2.792 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CCCC1 ZINC000653127047 962049147 /nfs/dbraw/zinc/04/91/47/962049147.db2.gz WZMAMLRGAISTSC-CABCVRRESA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1Cn1cccn1 ZINC000873007131 1013344197 /nfs/dbraw/zinc/34/41/97/1013344197.db2.gz HOVQIWQSLKPBCO-GOSISDBHSA-N 1 0 354.454 2.926 20 10 FFCDRO C/C(=C/c1ccncc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246972 962570306 /nfs/dbraw/zinc/57/03/06/962570306.db2.gz RCCBXJAZGHBRDI-HZMYXVCSSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnc3cnccc3c2)[NH+](C)C)cc1 ZINC000891250794 962598473 /nfs/dbraw/zinc/59/84/73/962598473.db2.gz ZYJFSQWUDQRBCS-FQEVSTJZSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnc3cnccc3c2)[NH+](C)C)cc1 ZINC000891250796 962598680 /nfs/dbraw/zinc/59/86/80/962598680.db2.gz ZYJFSQWUDQRBCS-HXUWFJFHSA-N 1 0 363.465 2.729 20 10 FFCDRO CC(C)c1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n(C)n1 ZINC000891251609 962603976 /nfs/dbraw/zinc/60/39/76/962603976.db2.gz HEDRQHOTYYWZPD-LJQANCHMSA-N 1 0 357.502 2.642 20 10 FFCDRO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253352 962604445 /nfs/dbraw/zinc/60/44/45/962604445.db2.gz RMJHXUPTECHQRC-ACJLOTCBSA-N 1 0 357.502 2.615 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2c[nH]c3ncccc23)[NH+](C)C)cc1 ZINC000891253377 962608722 /nfs/dbraw/zinc/60/87/22/962608722.db2.gz RSWJZSVMPGWNAL-LJQANCHMSA-N 1 0 365.481 2.591 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Cn1cccn1 ZINC000873050257 1013365217 /nfs/dbraw/zinc/36/52/17/1013365217.db2.gz LINYCVJVNYHMQX-IEBWSBKVSA-N 1 0 370.497 2.677 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1Cn1cccn1 ZINC000873072337 1013375738 /nfs/dbraw/zinc/37/57/38/1013375738.db2.gz UNSKOGVWIXIACG-SANMLTNESA-N 1 0 369.490 2.967 20 10 FFCDRO COc1ccc(C[NH2+]CCOc2ncccc2F)cc1Cn1cccn1 ZINC000873093477 1013382577 /nfs/dbraw/zinc/38/25/77/1013382577.db2.gz RRRUHJOGLRLQSD-UHFFFAOYSA-N 1 0 356.401 2.643 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276086759 1013428070 /nfs/dbraw/zinc/42/80/70/1013428070.db2.gz UAKRDVPPSMPDNW-FQEVSTJZSA-N 1 0 355.413 2.693 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891370238 963648420 /nfs/dbraw/zinc/64/84/20/963648420.db2.gz YJQGOCBSVQPEMQ-BCDXTJNWSA-N 1 0 374.554 2.570 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[NH2+]CCC34CCC4)CC2)cc1 ZINC000891489338 964382615 /nfs/dbraw/zinc/38/26/15/964382615.db2.gz RANGYTMEIQPISI-UHFFFAOYSA-N 1 0 372.513 2.592 20 10 FFCDRO O=C(C[NH+]1CCCCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051229138 964415273 /nfs/dbraw/zinc/41/52/73/964415273.db2.gz KJSLFPUQDZRGBH-UHFFFAOYSA-N 1 0 363.477 2.545 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C[C@@H]3CCOC3)cc2)CC1 ZINC000933664927 965049381 /nfs/dbraw/zinc/04/93/81/965049381.db2.gz HWTHZZRARYHETQ-PZJWPPBQSA-N 1 0 374.525 2.929 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)cc1C ZINC001022464280 965486426 /nfs/dbraw/zinc/48/64/26/965486426.db2.gz WLLSOHGTXVSIGY-RMJJICAUSA-N 1 0 358.482 2.556 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCO[C@H]2CCCCO2)c2cc(F)ccc2n1C ZINC000894795893 965697270 /nfs/dbraw/zinc/69/72/70/965697270.db2.gz YDEDPEJNVCELIG-KRWDZBQOSA-N 1 0 364.417 2.737 20 10 FFCDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000892257902 966411365 /nfs/dbraw/zinc/41/13/65/966411365.db2.gz VIIAHXFEEBDKBM-HKUYNNGSSA-N 1 0 367.449 2.572 20 10 FFCDRO COc1ccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)c(O)c1OC ZINC000892277340 966756212 /nfs/dbraw/zinc/75/62/12/966756212.db2.gz XYHFXRUCQMGXNT-UHFFFAOYSA-N 1 0 371.481 2.769 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCCc1ccccc1)cc2=O ZINC000052802961 967932018 /nfs/dbraw/zinc/93/20/18/967932018.db2.gz SHUVVNOAQSFGQU-UHFFFAOYSA-N 1 0 368.437 2.676 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNCc3nccn3C3CC3)CC2)cc1 ZINC000892462701 968875295 /nfs/dbraw/zinc/87/52/95/968875295.db2.gz VZOHZWJHZWGWRH-UHFFFAOYSA-N 1 0 369.513 2.529 20 10 FFCDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(O)c1OC ZINC000892475997 969021399 /nfs/dbraw/zinc/02/13/99/969021399.db2.gz OPVUZAYQTLCUSK-UHFFFAOYSA-N 1 0 364.486 2.534 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1 ZINC000180831435 969706876 /nfs/dbraw/zinc/70/68/76/969706876.db2.gz MYITYGASIQHAKW-UHFFFAOYSA-N 1 0 357.429 2.596 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066698641 969867991 /nfs/dbraw/zinc/86/79/91/969867991.db2.gz ROYSBAPTALOLCZ-IAGOWNOFSA-N 1 0 363.502 2.813 20 10 FFCDRO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)c1 ZINC000895477218 970657197 /nfs/dbraw/zinc/65/71/97/970657197.db2.gz SBEIWOPIDVBYNI-DJJJIMSYSA-N 1 0 361.438 2.938 20 10 FFCDRO C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000125067550 973031087 /nfs/dbraw/zinc/03/10/87/973031087.db2.gz VWJICXHXZDVNKB-QZTJIDSGSA-N 1 0 374.529 2.615 20 10 FFCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000104316135 973525094 /nfs/dbraw/zinc/52/50/94/973525094.db2.gz ZQVBAAJLFAHVBR-HXUWFJFHSA-N 1 0 359.514 2.650 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001116040083 1032085022 /nfs/dbraw/zinc/08/50/22/1032085022.db2.gz LPDHUQAGQWLMOP-PMACEKPBSA-N 1 0 374.529 2.537 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(S(N)(=O)=O)c1 ZINC000876511566 1014288267 /nfs/dbraw/zinc/28/82/67/1014288267.db2.gz MTXJCCDAULZOHT-UHFFFAOYSA-N 1 0 373.522 2.956 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c(C(F)F)nc3ccccn32)cc1 ZINC000876507152 1014288499 /nfs/dbraw/zinc/28/84/99/1014288499.db2.gz WWEDMGLHFUQNMY-AWEZNQCLSA-N 1 0 373.407 2.768 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccnc(Cl)c3)cc2)CC1 ZINC000893606999 975902041 /nfs/dbraw/zinc/90/20/41/975902041.db2.gz CSFMSVVGEOZFKV-QPJJXVBHSA-N 1 0 370.884 2.816 20 10 FFCDRO Cn1nc2c(c1C[N@H+](C)Cc1ccc(N3CCOCC3)cc1)CCCC2 ZINC000876550880 1014299981 /nfs/dbraw/zinc/29/99/81/1014299981.db2.gz FQSNLCDNOAZSOC-UHFFFAOYSA-N 1 0 354.498 2.768 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)N(C)C)cc1 ZINC000898448794 976460624 /nfs/dbraw/zinc/46/06/24/976460624.db2.gz XGSZZIYERUDCFK-IBGZPJMESA-N 1 0 353.470 2.727 20 10 FFCDRO CCOC(=O)CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000876641178 1014335848 /nfs/dbraw/zinc/33/58/48/1014335848.db2.gz JTAXEFOFPUYHOP-UHFFFAOYSA-N 1 0 360.498 2.813 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC[C@]3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC000899097609 976906447 /nfs/dbraw/zinc/90/64/47/976906447.db2.gz CJJXRUZGEGZEKQ-AEFFLSMTSA-N 1 0 366.456 2.796 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CCc2ccncc2)[NH+](C)C)cc1 ZINC000899103086 976913548 /nfs/dbraw/zinc/91/35/48/976913548.db2.gz VYQUPQXZWBGVRI-FQEVSTJZSA-N 1 0 369.513 2.634 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCCOC(C)(C)C2)[NH+](C)C)cc1 ZINC000899102531 976914452 /nfs/dbraw/zinc/91/44/52/976914452.db2.gz QGHDQJBFWAITPR-GOSISDBHSA-N 1 0 362.518 2.566 20 10 FFCDRO CC(C)O[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899098597 976922527 /nfs/dbraw/zinc/92/25/27/976922527.db2.gz PQZBSPSJCJYZMV-RTBURBONSA-N 1 0 362.518 2.564 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1O ZINC000893978750 977621362 /nfs/dbraw/zinc/62/13/62/977621362.db2.gz UMYRAFFVLUBBFD-UHFFFAOYSA-N 1 0 366.412 2.619 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000876985357 1014441512 /nfs/dbraw/zinc/44/15/12/1014441512.db2.gz AEAWZKUGMDHEFU-UHFFFAOYSA-N 1 0 356.466 2.701 20 10 FFCDRO CO[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCOC1 ZINC000876999796 1014444934 /nfs/dbraw/zinc/44/49/34/1014444934.db2.gz ZCVYPNSZSVXGCZ-KBXCAEBGSA-N 1 0 370.440 2.898 20 10 FFCDRO COCC1(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC[NH2+]CC1 ZINC000261762438 978089465 /nfs/dbraw/zinc/08/94/65/978089465.db2.gz QLIIAAMEWKBRPV-UHFFFAOYSA-N 1 0 373.472 2.979 20 10 FFCDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877034516 1014455789 /nfs/dbraw/zinc/45/57/89/1014455789.db2.gz JGVUYDHDRWYLKL-JTSKRJEESA-N 1 0 354.494 2.902 20 10 FFCDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877066236 1014467990 /nfs/dbraw/zinc/46/79/90/1014467990.db2.gz HOFCBFPAXMLWIR-HNNXBMFYSA-N 1 0 356.514 2.719 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000877082783 1014470666 /nfs/dbraw/zinc/47/06/66/1014470666.db2.gz CKVCHPCJELGPHC-YCRPNKLZSA-N 1 0 358.457 2.999 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c(O)c1OC ZINC000894264670 978502291 /nfs/dbraw/zinc/50/22/91/978502291.db2.gz NTYCDNWHJFAGNW-NRFANRHFSA-N 1 0 357.450 2.936 20 10 FFCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877305280 1014543906 /nfs/dbraw/zinc/54/39/06/1014543906.db2.gz LOUJOSWADLVJTL-SFHVURJKSA-N 1 0 358.482 2.978 20 10 FFCDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(OCc3ccccc3)cc1O)CC2 ZINC000897346600 979112086 /nfs/dbraw/zinc/11/20/86/979112086.db2.gz XHJQFPSEGLHWIX-KRWDZBQOSA-N 1 0 364.449 2.747 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000163342867 979771430 /nfs/dbraw/zinc/77/14/30/979771430.db2.gz OERKDDFJGSAHAV-SFHVURJKSA-N 1 0 366.509 2.752 20 10 FFCDRO CCOc1cccc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1O ZINC000828035437 979938999 /nfs/dbraw/zinc/93/89/99/979938999.db2.gz HDANNVRALCCXMS-UHFFFAOYSA-N 1 0 373.453 2.841 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3COc4ccc(F)cc4C3)cc2)CC1 ZINC000877537212 1014617235 /nfs/dbraw/zinc/61/72/35/1014617235.db2.gz IVTVWSJURMYINA-GOSISDBHSA-N 1 0 356.441 2.880 20 10 FFCDRO C[C@]12C[N@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877669040 1014668250 /nfs/dbraw/zinc/66/82/50/1014668250.db2.gz UYVASQMTJYPDGV-OYRHEFFESA-N 1 0 350.418 2.544 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000906222438 980599297 /nfs/dbraw/zinc/59/92/97/980599297.db2.gz NSGAHZOGKZYODJ-QGZVFWFLSA-N 1 0 364.449 2.529 20 10 FFCDRO O=C(c1cc(O)c(O)c(O)c1)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001272049539 980731372 /nfs/dbraw/zinc/73/13/72/980731372.db2.gz RSHXLQQACSDHIU-UHFFFAOYSA-N 1 0 360.454 2.674 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1C ZINC000877800304 1014733499 /nfs/dbraw/zinc/73/34/99/1014733499.db2.gz VSOHCFMYRCVOSI-NZSAHSFTSA-N 1 0 360.498 2.641 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1O ZINC000877803750 1014734608 /nfs/dbraw/zinc/73/46/08/1014734608.db2.gz YRTCMNVGUGROPW-QYZOEREBSA-N 1 0 360.498 2.586 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877923395 1014767918 /nfs/dbraw/zinc/76/79/18/1014767918.db2.gz NRBPQPGSQFUKAU-NRFANRHFSA-N 1 0 374.525 2.931 20 10 FFCDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000897576426 982307166 /nfs/dbraw/zinc/30/71/66/982307166.db2.gz FMEUOTUAIOXMSV-SFHVURJKSA-N 1 0 370.497 2.794 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3c4ccccc4OC[C@H]3CO)CC2)cc1 ZINC000897951019 982563992 /nfs/dbraw/zinc/56/39/92/982563992.db2.gz XBVQJHOBMRQOFG-OPAMFIHVSA-N 1 0 368.477 2.996 20 10 FFCDRO O=C(NCc1ccccc1O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000842006634 982567518 /nfs/dbraw/zinc/56/75/18/982567518.db2.gz NUKNXXBHPZSITH-FUHWJXTLSA-N 1 0 357.429 2.724 20 10 FFCDRO COc1ccc(C[N@H+](CCCO)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000898173003 982634191 /nfs/dbraw/zinc/63/41/91/982634191.db2.gz DPZKHTREIUPWEV-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000878358079 1015002554 /nfs/dbraw/zinc/00/25/54/1015002554.db2.gz LNNCRQATMHMQBM-XLIONFOSSA-N 1 0 362.514 2.620 20 10 FFCDRO COc1cc(N2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)cc(OC)c1OC ZINC000878430580 1015039665 /nfs/dbraw/zinc/03/96/65/1015039665.db2.gz LVNODHDVWXNYDE-MRXNPFEDSA-N 1 0 364.486 2.650 20 10 FFCDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764482120 984521479 /nfs/dbraw/zinc/52/14/79/984521479.db2.gz ZOGLDBHJYOFMPJ-SJORKVTESA-N 1 0 362.518 2.614 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C[C@H]3CCOC3)CC2)cc1 ZINC000764685640 984636676 /nfs/dbraw/zinc/63/66/76/984636676.db2.gz XDEQWGZPLQWWDQ-RTBURBONSA-N 1 0 361.530 2.612 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764786150 984723341 /nfs/dbraw/zinc/72/33/41/984723341.db2.gz ZSDCTWAPXRCGGQ-HXUWFJFHSA-N 1 0 354.498 2.879 20 10 FFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)n1 ZINC000765252171 985005585 /nfs/dbraw/zinc/00/55/85/985005585.db2.gz IELIFGXWHAAEMA-KBXCAEBGSA-N 1 0 367.497 2.646 20 10 FFCDRO C[C@@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000765409730 985067448 /nfs/dbraw/zinc/06/74/48/985067448.db2.gz DMILVELOAGWWSY-MRXNPFEDSA-N 1 0 353.466 2.515 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)ccc1N1CCOCC1 ZINC000921561886 985401274 /nfs/dbraw/zinc/40/12/74/985401274.db2.gz XQLGEMPTPQJPQV-UHFFFAOYSA-N 1 0 358.461 2.949 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccco2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139817701 985466425 /nfs/dbraw/zinc/46/64/25/985466425.db2.gz YZJMMGFZFASKRP-UHFFFAOYSA-N 1 0 367.428 2.825 20 10 FFCDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000056343043 986716452 /nfs/dbraw/zinc/71/64/52/986716452.db2.gz HRNNWTZMNOVUMA-UHFFFAOYSA-N 1 0 358.486 2.927 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000176583200 987934599 /nfs/dbraw/zinc/93/45/99/987934599.db2.gz XZAZRBQYURXVKN-PKOBYXMFSA-N 1 0 374.529 2.790 20 10 FFCDRO O=C(/C=C/c1cnccn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761978336 988012711 /nfs/dbraw/zinc/01/27/11/988012711.db2.gz CVNJKXFAQFZJRF-UKINESCASA-N 1 0 372.856 2.630 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1Cn1cccn1 ZINC000922523302 988668662 /nfs/dbraw/zinc/66/86/62/988668662.db2.gz JYHPKZKZYSRKRG-MOPGFXCFSA-N 1 0 372.538 2.609 20 10 FFCDRO OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCC2(CC1)OCCO2 ZINC000922623542 988755881 /nfs/dbraw/zinc/75/58/81/988755881.db2.gz PKLHCOOCSNSLFE-UHFFFAOYSA-N 1 0 360.498 2.815 20 10 FFCDRO COCC[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000074065015 989506482 /nfs/dbraw/zinc/50/64/82/989506482.db2.gz GRBWRCRUTYZGCI-UHFFFAOYSA-N 1 0 363.502 2.815 20 10 FFCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000916836873 989995346 /nfs/dbraw/zinc/99/53/46/989995346.db2.gz SYHOECSMQDGMEG-OAHLLOKOSA-N 1 0 362.474 2.980 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000763441224 990696597 /nfs/dbraw/zinc/69/65/97/990696597.db2.gz FEKZCYLUAIOITP-UZLBHIALSA-N 1 0 361.413 2.804 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000763441223 990696601 /nfs/dbraw/zinc/69/66/01/990696601.db2.gz FEKZCYLUAIOITP-OXQOHEQNSA-N 1 0 361.413 2.804 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1O ZINC000879651247 1015625762 /nfs/dbraw/zinc/62/57/62/1015625762.db2.gz ONFTWBSBOVECIZ-ZDUSSCGKSA-N 1 0 353.422 2.574 20 10 FFCDRO Nc1ccc(CCNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237932432 991399662 /nfs/dbraw/zinc/39/96/62/991399662.db2.gz WTFZVIYBCZMDQR-UHFFFAOYSA-N 1 0 366.509 2.530 20 10 FFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000068549365 991467281 /nfs/dbraw/zinc/46/72/81/991467281.db2.gz YMVUMEVBORTGFE-ROUUACIJSA-N 1 0 374.529 2.615 20 10 FFCDRO Cn1c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)nnc1C1CCC1 ZINC000181461135 991772597 /nfs/dbraw/zinc/77/25/97/991772597.db2.gz BMHDIOQHATZLNB-KRWDZBQOSA-N 1 0 356.470 2.969 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)ccc21 ZINC000182526324 992095590 /nfs/dbraw/zinc/09/55/90/992095590.db2.gz LUGUAZXKNLSEJZ-QUCCMNQESA-N 1 0 356.514 2.695 20 10 FFCDRO OCCO[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183063373 992352920 /nfs/dbraw/zinc/35/29/20/992352920.db2.gz HCFSQMMYVIMTHX-FQEVSTJZSA-N 1 0 357.450 2.945 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H](C)[C@H]1C[NH2+]CCO1)N=[N+]=[N-] ZINC001170563397 994312554 /nfs/dbraw/zinc/31/25/54/994312554.db2.gz LWCWQTGMCYXKDP-CJKKJBIBSA-N 1 0 374.445 2.702 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3O)C2)CC1 ZINC000809714933 994591152 /nfs/dbraw/zinc/59/11/52/994591152.db2.gz VUVHEAXREOXQBP-QGZVFWFLSA-N 1 0 361.486 2.519 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cncc(C)c3)C[C@H]2C)cc1C ZINC001082458356 994675752 /nfs/dbraw/zinc/67/57/52/994675752.db2.gz JWLZYKRGBZGZGT-VQIMIIECSA-N 1 0 353.466 2.957 20 10 FFCDRO COC(=O)COc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC001170630938 995101166 /nfs/dbraw/zinc/10/11/66/995101166.db2.gz RAZCIILZCBRISX-UHFFFAOYSA-N 1 0 358.482 2.972 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCc1ccccc1O3)[C@@H](O)CO2 ZINC000811782565 995243769 /nfs/dbraw/zinc/24/37/69/995243769.db2.gz OTWAKVVRNWHWHA-GHTZIAJQSA-N 1 0 353.418 2.788 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000824086447 996792356 /nfs/dbraw/zinc/79/23/56/996792356.db2.gz VUSXADUNTRTWJY-ZWKOTPCHSA-N 1 0 357.498 2.580 20 10 FFCDRO NC(=O)c1cccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC2)c1 ZINC000824608717 997011945 /nfs/dbraw/zinc/01/19/45/997011945.db2.gz NUBPOLWOVXBMMC-UHFFFAOYSA-N 1 0 365.477 2.787 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)C2)cc1 ZINC000824692196 997055937 /nfs/dbraw/zinc/05/59/37/997055937.db2.gz ACPOXMJOMVWGFQ-ZWKOTPCHSA-N 1 0 374.529 2.505 20 10 FFCDRO OC1CCN(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000825111185 997216278 /nfs/dbraw/zinc/21/62/78/997216278.db2.gz LTLDHQUTBORQLF-UHFFFAOYSA-N 1 0 365.521 2.796 20 10 FFCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000730787720 997482250 /nfs/dbraw/zinc/48/22/50/997482250.db2.gz PUZOSNDXABYROU-KRWDZBQOSA-N 1 0 359.445 2.684 20 10 FFCDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173883 997693308 /nfs/dbraw/zinc/69/33/08/997693308.db2.gz BWZPRBKJVURAEI-NRFANRHFSA-N 1 0 367.493 2.520 20 10 FFCDRO Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c(C)n1-c1ccccn1 ZINC000844193380 997700570 /nfs/dbraw/zinc/70/05/70/997700570.db2.gz LMKDCERASIBQRN-INIZCTEOSA-N 1 0 361.449 2.952 20 10 FFCDRO O=C1[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000826889603 1016156815 /nfs/dbraw/zinc/15/68/15/1016156815.db2.gz WOLXOJXFDQXBFN-GASCZTMLSA-N 1 0 370.836 2.663 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/C(C)(C)C)CC2)cc1 ZINC000731893206 998315096 /nfs/dbraw/zinc/31/50/96/998315096.db2.gz FONJJXARAISCAM-ZHACJKMWSA-N 1 0 359.514 2.926 20 10 FFCDRO Cc1cc2ccccc2nc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515494 998626990 /nfs/dbraw/zinc/62/69/90/998626990.db2.gz QICJPFOEEILWAW-UHFFFAOYSA-N 1 0 365.433 2.982 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN([C@H]3CCCc4ccccc43)CC2)c(O)c1 ZINC001144515435 998627292 /nfs/dbraw/zinc/62/72/92/998627292.db2.gz OPMDZGJLYWMFQS-IBGZPJMESA-N 1 0 354.450 2.999 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000732458105 998672298 /nfs/dbraw/zinc/67/22/98/998672298.db2.gz GFENYZWGYKYPCM-LJQANCHMSA-N 1 0 372.513 2.542 20 10 FFCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000826957807 1016250434 /nfs/dbraw/zinc/25/04/34/1016250434.db2.gz HPUAUDFLFRWRGI-PZJWPPBQSA-N 1 0 366.461 2.669 20 10 FFCDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000735491173 999432171 /nfs/dbraw/zinc/43/21/71/999432171.db2.gz BGJODXLSOJCSAS-LVCYWYKZSA-N 1 0 372.557 2.706 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000742391450 999771583 /nfs/dbraw/zinc/77/15/83/999771583.db2.gz ISWXKYGSGYPBPL-BEFAXECRSA-N 1 0 355.486 2.550 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000743203965 999806177 /nfs/dbraw/zinc/80/61/77/999806177.db2.gz CXAUMJLLJDLLSE-UHFFFAOYSA-N 1 0 372.517 2.955 20 10 FFCDRO C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000766854445 1000079835 /nfs/dbraw/zinc/07/98/35/1000079835.db2.gz IOERFTPYMLCBGH-UTKZUKDTSA-N 1 0 371.525 2.507 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000767371235 1000111783 /nfs/dbraw/zinc/11/17/83/1000111783.db2.gz MGTHCOVLZVPDPP-PZJWPPBQSA-N 1 0 370.518 2.815 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@](C)(CO)C2CC2)C1 ZINC000768057178 1000174345 /nfs/dbraw/zinc/17/43/45/1000174345.db2.gz WUCFSDFJLKNKAT-JOCHJYFZSA-N 1 0 369.509 2.685 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cncc(C)c3)CC2)cc1 ZINC000768204117 1000191518 /nfs/dbraw/zinc/19/15/18/1000191518.db2.gz YAVKDZGAZLCLSL-SFHVURJKSA-N 1 0 354.498 2.871 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3cccc(OC)c3O)C2)nc1 ZINC000846165648 1000214164 /nfs/dbraw/zinc/21/41/64/1000214164.db2.gz PXDPHSUEQXZBBF-ZDUSSCGKSA-N 1 0 371.437 2.512 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000846168206 1000215846 /nfs/dbraw/zinc/21/58/46/1000215846.db2.gz IKNMTGVKBIXYJV-KBPBESRZSA-N 1 0 366.458 2.687 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)c1O ZINC000846140375 1000217494 /nfs/dbraw/zinc/21/74/94/1000217494.db2.gz PMIZHLGYMPJIIJ-LSDHHAIUSA-N 1 0 357.454 2.872 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1O ZINC000846141071 1000217846 /nfs/dbraw/zinc/21/78/46/1000217846.db2.gz KMADOACTPZZDFD-CQSZACIVSA-N 1 0 358.438 2.719 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)[C@@H](O)CO2 ZINC000768440705 1000248406 /nfs/dbraw/zinc/24/84/06/1000248406.db2.gz UHPJFWAXWWRYHR-XLIONFOSSA-N 1 0 355.434 2.999 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439371 1000248769 /nfs/dbraw/zinc/24/87/69/1000248769.db2.gz GODRJMPGQASVSN-QAPCUYQASA-N 1 0 360.498 2.634 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439373 1000249253 /nfs/dbraw/zinc/24/92/53/1000249253.db2.gz GODRJMPGQASVSN-YJBOKZPZSA-N 1 0 360.498 2.634 20 10 FFCDRO C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000846593398 1000381443 /nfs/dbraw/zinc/38/14/43/1000381443.db2.gz OEAACAUXASUFDT-FLJMFPIGSA-N 1 0 352.434 2.892 20 10 FFCDRO CC(=O)NC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769193272 1000449046 /nfs/dbraw/zinc/44/90/46/1000449046.db2.gz UUTWDJBXHREZMV-UHFFFAOYSA-N 1 0 360.458 2.686 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)c(O)c1 ZINC000769445404 1000522596 /nfs/dbraw/zinc/52/25/96/1000522596.db2.gz HSOLQDSIEYLUGI-UHFFFAOYSA-N 1 0 354.450 2.810 20 10 FFCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000770379910 1000756679 /nfs/dbraw/zinc/75/66/79/1000756679.db2.gz KJZQDPMSOWPREM-SFHVURJKSA-N 1 0 374.485 2.885 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]1C ZINC000787420582 1001688807 /nfs/dbraw/zinc/68/88/07/1001688807.db2.gz JDEBLJVYXMRRSK-HOCLYGCPSA-N 1 0 361.442 2.969 20 10 FFCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(I)cc2O)C1 ZINC001232978015 1036212000 /nfs/dbraw/zinc/21/20/00/1036212000.db2.gz URVITXVKONEOHS-CQSZACIVSA-N 1 0 372.250 2.665 20 10 FFCDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000788549341 1001818877 /nfs/dbraw/zinc/81/88/77/1001818877.db2.gz WBNFGBZAWGCCIL-BFYDXBDKSA-N 1 0 361.465 2.599 20 10 FFCDRO COc1cc(C)c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c(O)c1 ZINC001182929972 1002112057 /nfs/dbraw/zinc/11/20/57/1002112057.db2.gz RQROBAYAKZNPJS-UHFFFAOYSA-N 1 0 357.454 2.613 20 10 FFCDRO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCc2cc(O)c(O)cc2C1 ZINC001183566826 1002309949 /nfs/dbraw/zinc/30/99/49/1002309949.db2.gz JKORSWFIDMJKCQ-GOSISDBHSA-N 1 0 366.461 2.895 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1C ZINC000774977476 1003195089 /nfs/dbraw/zinc/19/50/89/1003195089.db2.gz LERBJUUPRMWVAQ-IBGZPJMESA-N 1 0 367.493 2.995 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000793391369 1003363992 /nfs/dbraw/zinc/36/39/92/1003363992.db2.gz WOLDBRNFAKIXFY-ZDUSSCGKSA-N 1 0 372.421 2.694 20 10 FFCDRO O=C(C[C@@H]1CCCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793762349 1003483198 /nfs/dbraw/zinc/48/31/98/1003483198.db2.gz ZROHNYLINGKLOS-FQEVSTJZSA-N 1 0 371.525 2.652 20 10 FFCDRO COc1ccc(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)c(O)c1 ZINC000794378070 1003619624 /nfs/dbraw/zinc/61/96/24/1003619624.db2.gz OSFIWXZYCYBHCN-WDZFZDKYSA-N 1 0 370.449 2.671 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c1O ZINC000775676161 1003625862 /nfs/dbraw/zinc/62/58/62/1003625862.db2.gz MXEYNYAPUMRVLN-LPHOPBHVSA-N 1 0 359.514 2.513 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1OC ZINC000804721011 1003801391 /nfs/dbraw/zinc/80/13/91/1003801391.db2.gz ZVXZXQHNZAJFBP-INIZCTEOSA-N 1 0 371.437 2.975 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4C[C@H]43)cc2F)CC1 ZINC000806750469 1004403293 /nfs/dbraw/zinc/40/32/93/1004403293.db2.gz SIDOJBMHXKJHKI-QFBILLFUSA-N 1 0 360.477 2.662 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000807033193 1004493688 /nfs/dbraw/zinc/49/36/88/1004493688.db2.gz YNURYXSVIAZVMR-MRXNPFEDSA-N 1 0 363.477 2.747 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c(C)n1-c1ccccc1C ZINC000808223840 1004778381 /nfs/dbraw/zinc/77/83/81/1004778381.db2.gz PCKYOSXIKONWFA-GOSISDBHSA-N 1 0 355.482 2.589 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cn(C)nc3C)C2)cc1C ZINC001086661133 1004779187 /nfs/dbraw/zinc/77/91/87/1004779187.db2.gz ZZHNSGQMPBAXTH-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)C3CCCCC3)CC2)cc1 ZINC000775618044 1004835157 /nfs/dbraw/zinc/83/51/57/1004835157.db2.gz OYBLLLOBBIHEKK-QGZVFWFLSA-N 1 0 359.514 2.902 20 10 FFCDRO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000104944772 1004890904 /nfs/dbraw/zinc/89/09/04/1004890904.db2.gz HJYHSWOCAWILNR-UHFFFAOYSA-N 1 0 372.513 2.829 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC(C3CC3)C3CC3)cc2F)CC1 ZINC000106524496 1005332129 /nfs/dbraw/zinc/33/21/29/1005332129.db2.gz OTYAJZWVXYUBOL-UHFFFAOYSA-N 1 0 374.504 2.955 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 ZINC000776346473 1005384927 /nfs/dbraw/zinc/38/49/27/1005384927.db2.gz IAVSSMJTOPOZLD-YLJYHZDGSA-N 1 0 371.525 2.650 20 10 FFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850252270 1005799571 /nfs/dbraw/zinc/79/95/71/1005799571.db2.gz OXQWSPLDUQJQID-ZWKOTPCHSA-N 1 0 367.486 2.608 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)C2)cc1 ZINC000850347845 1005808915 /nfs/dbraw/zinc/80/89/15/1005808915.db2.gz YUJSHYGMGSCEHF-GOSISDBHSA-N 1 0 365.477 2.973 20 10 FFCDRO Cc1cccc2ncc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)n21 ZINC000850405897 1005813843 /nfs/dbraw/zinc/81/38/43/1005813843.db2.gz JSGNKSQVWXCRRW-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c1O ZINC000850576848 1005823385 /nfs/dbraw/zinc/82/33/85/1005823385.db2.gz PWQQUUDNBYLEMA-IEBWSBKVSA-N 1 0 369.509 2.868 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000850756206 1005836573 /nfs/dbraw/zinc/83/65/73/1005836573.db2.gz PZIRIZJZGVELJI-UHFFFAOYSA-N 1 0 366.465 2.573 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)[NH+]3CCCCC3)C2)cc1 ZINC000851923458 1005923130 /nfs/dbraw/zinc/92/31/30/1005923130.db2.gz QYDFPWRDJOMCKF-KRWDZBQOSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000852186295 1005948953 /nfs/dbraw/zinc/94/89/53/1005948953.db2.gz DUANILIZTNSKHG-KURKYZTESA-N 1 0 374.529 2.694 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)C1CCOCC1 ZINC000852321746 1005976607 /nfs/dbraw/zinc/97/66/07/1005976607.db2.gz RHKBRHHAMTWUCF-OAQYLSRUSA-N 1 0 362.514 2.833 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](CN4CCCC4=O)C3)cc2)CC1 ZINC000852678093 1006134331 /nfs/dbraw/zinc/13/43/31/1006134331.db2.gz BVSSYVQGXHHDSU-LJQANCHMSA-N 1 0 371.525 2.746 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)cc1 ZINC000852793000 1006186354 /nfs/dbraw/zinc/18/63/54/1006186354.db2.gz MGTNTYGFSMQZRW-UHFFFAOYSA-N 1 0 351.450 2.651 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)cc1F ZINC000852815076 1006196414 /nfs/dbraw/zinc/19/64/14/1006196414.db2.gz VNCBDBVHIXQNCB-IBGZPJMESA-N 1 0 369.440 2.718 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC001134681953 1006443677 /nfs/dbraw/zinc/44/36/77/1006443677.db2.gz ODWKRQANCLUNKL-UYAOXDASSA-N 1 0 367.493 2.723 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCC(N4CCOC4=O)CC3)c2c1 ZINC000853608200 1006474081 /nfs/dbraw/zinc/47/40/81/1006474081.db2.gz JSWDZGVFJPQSND-UHFFFAOYSA-N 1 0 356.422 2.971 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000111511251 1006506807 /nfs/dbraw/zinc/50/68/07/1006506807.db2.gz LRXUHOWDNDAYSD-LJQANCHMSA-N 1 0 374.529 2.791 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853749481 1006525061 /nfs/dbraw/zinc/52/50/61/1006525061.db2.gz UBXHTOMRSWLZNU-GOSISDBHSA-N 1 0 358.530 2.982 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)C3CCCC3)C2)cc1 ZINC000854300144 1006765808 /nfs/dbraw/zinc/76/58/08/1006765808.db2.gz PQZZITATTZXQSS-QGZVFWFLSA-N 1 0 374.529 2.790 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(C)cc1O ZINC000883371740 1006768032 /nfs/dbraw/zinc/76/80/32/1006768032.db2.gz YAZBVTSJBGMVSK-AZUAARDMSA-N 1 0 361.530 2.538 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000883370654 1006768848 /nfs/dbraw/zinc/76/88/48/1006768848.db2.gz PLGIIVMGNJSFOP-CTNGQTDRSA-N 1 0 374.573 2.590 20 10 FFCDRO Cc1ccc(N)cc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883572249 1006877466 /nfs/dbraw/zinc/87/74/66/1006877466.db2.gz CMLAIOCMHUQCBS-UHFFFAOYSA-N 1 0 353.470 2.651 20 10 FFCDRO C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000883627813 1006915828 /nfs/dbraw/zinc/91/58/28/1006915828.db2.gz PNUKGNPIFMKEBS-INIZCTEOSA-N 1 0 374.529 2.756 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000112450989 1006935023 /nfs/dbraw/zinc/93/50/23/1006935023.db2.gz CAINBJDIQFOWTA-UHFFFAOYSA-N 1 0 362.518 2.695 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000816494976 1007072206 /nfs/dbraw/zinc/07/22/06/1007072206.db2.gz GLKKKGMGJGNWQF-UHFFFAOYSA-N 1 0 367.449 2.852 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775256323 1007088399 /nfs/dbraw/zinc/08/83/99/1007088399.db2.gz XXXSIBDVJRXGFG-INIZCTEOSA-N 1 0 371.456 2.629 20 10 FFCDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc2ccccc2c1O)C(F)(F)F ZINC000816562919 1007120102 /nfs/dbraw/zinc/12/01/02/1007120102.db2.gz DJVCWUBIELWHSG-KRWDZBQOSA-N 1 0 365.355 2.819 20 10 FFCDRO C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000817156254 1007442841 /nfs/dbraw/zinc/44/28/41/1007442841.db2.gz JHABNEJUDLNUNH-IPJUCJBFSA-N 1 0 374.529 2.756 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC3CCC([NH+](C)C)CC3)CC2)cc1 ZINC000817178599 1007457905 /nfs/dbraw/zinc/45/79/05/1007457905.db2.gz BJUQKRIAPWPMMA-UHFFFAOYSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1(F)F ZINC000817441615 1007607570 /nfs/dbraw/zinc/60/75/70/1007607570.db2.gz OIHQIGBMYHBFSA-LJQANCHMSA-N 1 0 363.452 2.880 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1C[NH+](C2CCCCC2)C1 ZINC000856209269 1007725358 /nfs/dbraw/zinc/72/53/58/1007725358.db2.gz JLOZKJGXZICLPU-UHFFFAOYSA-N 1 0 371.525 2.528 20 10 FFCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210507 1007726688 /nfs/dbraw/zinc/72/66/88/1007726688.db2.gz FQACHVNYAIROOD-UHFFFAOYSA-N 1 0 359.514 2.530 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856533384 1007874017 /nfs/dbraw/zinc/87/40/17/1007874017.db2.gz FGEMXDMWYFEDAZ-LEWJYISDSA-N 1 0 366.509 2.883 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc4c(c3)c(C)nn4C)C2)cc1 ZINC000818222212 1007888065 /nfs/dbraw/zinc/88/80/65/1007888065.db2.gz VJSJQWVDDHUYDD-MRXNPFEDSA-N 1 0 365.481 2.901 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(-n4cncn4)cc3)C2)cc1 ZINC000818221792 1007888312 /nfs/dbraw/zinc/88/83/12/1007888312.db2.gz UECOCFBEWVFBIU-SFHVURJKSA-N 1 0 363.465 2.892 20 10 FFCDRO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984753 1008000509 /nfs/dbraw/zinc/00/05/09/1008000509.db2.gz GFNKLEFEARUKAT-NRFANRHFSA-N 1 0 353.510 2.652 20 10 FFCDRO CCOc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819095037 1008032147 /nfs/dbraw/zinc/03/21/47/1008032147.db2.gz SAGKADWFDQDVOC-HXUWFJFHSA-N 1 0 368.477 2.991 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1F ZINC000819121120 1008049021 /nfs/dbraw/zinc/04/90/21/1008049021.db2.gz HALTUEHBXIHOJY-HXUWFJFHSA-N 1 0 362.420 2.749 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COc3ccc(C)cc3)C2)cc1 ZINC000819381272 1008128143 /nfs/dbraw/zinc/12/81/43/1008128143.db2.gz XEYQSANBFKVKAG-ICSRJNTNSA-N 1 0 370.493 2.859 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3cc(C)cc(F)c3)CC2)cc1 ZINC000819460789 1008159196 /nfs/dbraw/zinc/15/91/96/1008159196.db2.gz CRTFWGSVQFTNOD-HXUWFJFHSA-N 1 0 373.472 2.738 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC000819581941 1008182546 /nfs/dbraw/zinc/18/25/46/1008182546.db2.gz GSFPMYYPTVODCZ-SFHVURJKSA-N 1 0 359.514 2.904 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3c4ccccc4CN(C)C3=O)CC2)cc1 ZINC000857873666 1008232724 /nfs/dbraw/zinc/23/27/24/1008232724.db2.gz YZRARPYAUQCPHQ-OAQYLSRUSA-N 1 0 365.477 2.967 20 10 FFCDRO CCC(CC)[C@@H](CNC(=O)NCc1cc(C)ccc1O)[NH+]1CCOCC1 ZINC000858130240 1008307716 /nfs/dbraw/zinc/30/77/16/1008307716.db2.gz DENRMQUELCSNTM-GOSISDBHSA-N 1 0 363.502 2.637 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000858280547 1008338693 /nfs/dbraw/zinc/33/86/93/1008338693.db2.gz WJFCWSDRPVBBGV-OAHLLOKOSA-N 1 0 366.458 2.516 20 10 FFCDRO CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858504748 1008370950 /nfs/dbraw/zinc/37/09/50/1008370950.db2.gz XODGHQDGKUASAZ-WMLDXEAASA-N 1 0 362.445 2.965 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H]3CCCC[N@H+](C)C3)C2)cc1 ZINC000858553120 1008381277 /nfs/dbraw/zinc/38/12/77/1008381277.db2.gz XOKYYPFRPIMXQQ-ROUUACIJSA-N 1 0 374.529 2.553 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859213710 1008488453 /nfs/dbraw/zinc/48/84/53/1008488453.db2.gz AHBRUSAXQRTKSI-UHFFFAOYSA-N 1 0 368.525 2.562 20 10 FFCDRO COCCC[N@H+](C)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859590296 1008581716 /nfs/dbraw/zinc/58/17/16/1008581716.db2.gz BMZSMPRUQOIDRG-UHFFFAOYSA-N 1 0 371.481 2.605 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000859757161 1008652282 /nfs/dbraw/zinc/65/22/82/1008652282.db2.gz YKOUYEQAUPJMGR-UHFFFAOYSA-N 1 0 354.454 2.865 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(C)n1-c1ccc(F)cn1 ZINC000860131667 1008849696 /nfs/dbraw/zinc/84/96/96/1008849696.db2.gz OFTLNQOOZMZRDS-JNAXZKDPSA-N 1 0 357.429 2.656 20 10 FFCDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886751238 1008859676 /nfs/dbraw/zinc/85/96/76/1008859676.db2.gz LCRNOQSVUSSJKY-SFHVURJKSA-N 1 0 361.530 2.929 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000823243753 1008991320 /nfs/dbraw/zinc/99/13/20/1008991320.db2.gz POXQFEQSQHLZAO-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO CCO/C=C/[C@](O)(C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC001179637415 1009395874 /nfs/dbraw/zinc/39/58/74/1009395874.db2.gz YMZRXLOKOWVPLF-NFAHFFEMSA-N 1 0 368.346 2.964 20 10 FFCDRO CCO/C=C\[C@](O)(C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C(F)(F)F ZINC001179637416 1009396063 /nfs/dbraw/zinc/39/60/63/1009396063.db2.gz YMZRXLOKOWVPLF-YVACAVLKSA-N 1 0 368.346 2.964 20 10 FFCDRO CN(c1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)cc1)C1CCCCC1 ZINC000861567234 1009467576 /nfs/dbraw/zinc/46/75/76/1009467576.db2.gz CYWVWTZDQQLMKN-UHFFFAOYSA-N 1 0 374.529 2.763 20 10 FFCDRO O=C(NCc1ccc2cccnc2c1O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000862026342 1009668077 /nfs/dbraw/zinc/66/80/77/1009668077.db2.gz KZRQJBIQSBVAJR-QGZVFWFLSA-N 1 0 371.506 2.774 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1F ZINC000862252917 1009765575 /nfs/dbraw/zinc/76/55/75/1009765575.db2.gz IHUYOUYOVRZXTL-BEFAXECRSA-N 1 0 364.440 2.852 20 10 FFCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000862366995 1009810234 /nfs/dbraw/zinc/81/02/34/1009810234.db2.gz RDYBEEICQNTICQ-CZUORRHYSA-N 1 0 366.458 2.515 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000889658278 1010042912 /nfs/dbraw/zinc/04/29/12/1010042912.db2.gz BSWHPXIXVKUVKU-MRXNPFEDSA-N 1 0 368.481 2.704 20 10 FFCDRO CCN(Cc1ccncc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889674904 1010050342 /nfs/dbraw/zinc/05/03/42/1010050342.db2.gz ZTOPSIGLXSEWGA-UHFFFAOYSA-N 1 0 367.497 2.565 20 10 FFCDRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773160965 1010061876 /nfs/dbraw/zinc/06/18/76/1010061876.db2.gz IYGJNPANNVFTSI-IXDOHACOSA-N 1 0 362.518 2.612 20 10 FFCDRO CCc1cc(C[NH+]2CCN(c3nccnn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000863273301 1010153476 /nfs/dbraw/zinc/15/34/76/1010153476.db2.gz BAYYOJHFYJCXPB-UHFFFAOYSA-N 1 0 355.486 2.759 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC[C@H]1C(=O)OC(C)(C)C ZINC000863303712 1010167491 /nfs/dbraw/zinc/16/74/91/1010167491.db2.gz YQJACEVNVQSMSK-SUYBPPKGSA-N 1 0 363.454 2.618 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C)cc1C ZINC001093610930 1010371468 /nfs/dbraw/zinc/37/14/68/1010371468.db2.gz FQXQFAKYHJVDNK-VQIMIIECSA-N 1 0 353.466 2.897 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CC(=O)[O-])C3CCCC3)cc2)CC1 ZINC000864523168 1010492724 /nfs/dbraw/zinc/49/27/24/1010492724.db2.gz GXIVQIDYGUBBRI-IBGZPJMESA-N 1 0 359.514 2.809 20 10 FFCDRO COC(=O)C[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000774204723 1010505343 /nfs/dbraw/zinc/50/53/43/1010505343.db2.gz JOBOCMDYZFDXKW-OAHLLOKOSA-N 1 0 372.465 2.903 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000864637040 1010537670 /nfs/dbraw/zinc/53/76/70/1010537670.db2.gz GPIXRJRUINRTFI-UHFFFAOYSA-N 1 0 369.513 2.707 20 10 FFCDRO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000120756220 1010864957 /nfs/dbraw/zinc/86/49/57/1010864957.db2.gz RLCONNNMCZJZJE-UHFFFAOYSA-N 1 0 356.514 2.982 20 10 FFCDRO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000777437925 1011291142 /nfs/dbraw/zinc/29/11/42/1011291142.db2.gz JFSDSMJOTNUBQQ-OAQYLSRUSA-N 1 0 374.431 2.895 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)c1ccccc1O ZINC000868617795 1011389482 /nfs/dbraw/zinc/38/94/82/1011389482.db2.gz OXUTXRFJJGWZDR-OAHLLOKOSA-N 1 0 372.469 2.678 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)CN1CC(F)F ZINC001275034684 1011841999 /nfs/dbraw/zinc/84/19/99/1011841999.db2.gz KEPNTBKRLPARSC-UHFFFAOYSA-N 1 0 354.397 2.568 20 10 FFCDRO O=C(NCCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001275035475 1011843529 /nfs/dbraw/zinc/84/35/29/1011843529.db2.gz VJZGZXUTGOANFC-AWEZNQCLSA-N 1 0 372.387 2.769 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3ccccc3O)CC2)CN1Cc1cnoc1 ZINC001275232522 1012114803 /nfs/dbraw/zinc/11/48/03/1012114803.db2.gz ROYBNSNJSSSPGB-UHFFFAOYSA-N 1 0 355.438 2.785 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CN(CC2CCCC2)C(=O)CO3)c1 ZINC001275239053 1012122320 /nfs/dbraw/zinc/12/23/20/1012122320.db2.gz QIKAXRYFLPAWNI-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(CCN(CC(=O)C(C)(C)C)C3=O)C2)c1 ZINC001275237462 1012127196 /nfs/dbraw/zinc/12/71/96/1012127196.db2.gz AZQRWKNPKAFZJZ-NRFANRHFSA-N 1 0 358.482 2.740 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1CCn1ccnc1 ZINC001275253687 1012153254 /nfs/dbraw/zinc/15/32/54/1012153254.db2.gz DRIJDGJHXNCCOY-IAGOWNOFSA-N 1 0 374.872 2.508 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001275279037 1012190673 /nfs/dbraw/zinc/19/06/73/1012190673.db2.gz GKYZKJKQBVGQHD-XCLFUZPHSA-N 1 0 360.454 2.546 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1O ZINC001275280216 1012199947 /nfs/dbraw/zinc/19/99/47/1012199947.db2.gz WCERVEWHEABZIM-QGZVFWFLSA-N 1 0 372.387 2.926 20 10 FFCDRO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1ccc(O)cc1O ZINC001275673520 1012823536 /nfs/dbraw/zinc/82/35/36/1012823536.db2.gz ZUDAKVNFIBESOO-INIZCTEOSA-N 1 0 358.360 2.617 20 10 FFCDRO CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000827567869 1018497191 /nfs/dbraw/zinc/49/71/91/1018497191.db2.gz ZYAVTPNKFPTTQE-FQEVSTJZSA-N 1 0 367.493 2.866 20 10 FFCDRO COc1cc(O)c(C[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1OC ZINC000827762688 1018643033 /nfs/dbraw/zinc/64/30/33/1018643033.db2.gz QRLUGGVPBFOTKT-UHFFFAOYSA-N 1 0 371.437 2.619 20 10 FFCDRO CCOC(=O)[C@@]12CN(Cc3c(O)ccc(F)c3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222136697 1032782944 /nfs/dbraw/zinc/78/29/44/1032782944.db2.gz YDZNHKRYUQZJOP-SGTLLEGYSA-N 1 0 370.852 2.549 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000382469941 1019063151 /nfs/dbraw/zinc/06/31/51/1019063151.db2.gz PAUPFOAKHDXOLW-JSGCOSHPSA-N 1 0 364.442 2.904 20 10 FFCDRO CCCC[N@H+](CC(=O)NCC(=O)c1ccccc1)Cc1ccccc1O ZINC000801594716 1019155685 /nfs/dbraw/zinc/15/56/85/1019155685.db2.gz LUIXSQXDIGGUNW-UHFFFAOYSA-N 1 0 354.450 2.993 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900130302 1020210030 /nfs/dbraw/zinc/21/00/30/1020210030.db2.gz SHBDATCNMASJDZ-UHFFFAOYSA-N 1 0 353.466 2.970 20 10 FFCDRO C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)C1 ZINC000725803685 1020264262 /nfs/dbraw/zinc/26/42/62/1020264262.db2.gz NVEPODGGMWPGIM-XLIONFOSSA-N 1 0 359.514 2.602 20 10 FFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000800477048 1020345800 /nfs/dbraw/zinc/34/58/00/1020345800.db2.gz QNLPQHWIFUFUET-CMKODMSKSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000726611469 1020494251 /nfs/dbraw/zinc/49/42/51/1020494251.db2.gz QYBOCTIOWJSFOU-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222360870 1032912133 /nfs/dbraw/zinc/91/21/33/1032912133.db2.gz UOBHYAGZJQEZSD-OAHLLOKOSA-N 1 0 372.250 2.715 20 10 FFCDRO C[N@H+](Cc1cn(Cc2ccc(N3CCOCC3)cc2)nn1)C1CCCCC1 ZINC000900602436 1020538409 /nfs/dbraw/zinc/53/84/09/1020538409.db2.gz WWJSWEBIYIKKKJ-UHFFFAOYSA-N 1 0 369.513 2.928 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3ccnn3CC[NH+](C)C)cc2)CC1 ZINC000900625164 1020553491 /nfs/dbraw/zinc/55/34/91/1020553491.db2.gz CWPZGDSGBZEAHG-UHFFFAOYSA-N 1 0 369.513 2.611 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc(F)c1N1CCOCC1 ZINC000903014970 1020626497 /nfs/dbraw/zinc/62/64/97/1020626497.db2.gz CGKHTDQGVXPUBT-WGJQMSHFSA-N 1 0 364.436 2.705 20 10 FFCDRO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903087663 1020671245 /nfs/dbraw/zinc/67/12/45/1020671245.db2.gz GEDDFJWATCZLJI-IEBWSBKVSA-N 1 0 368.424 2.794 20 10 FFCDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000903093089 1020673359 /nfs/dbraw/zinc/67/33/59/1020673359.db2.gz GZODQQOGVIGUEA-UYAOXDASSA-N 1 0 359.514 2.826 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001074758294 1020681307 /nfs/dbraw/zinc/68/13/07/1020681307.db2.gz PVEHZCPUTOGJMG-NQYYFHDYSA-N 1 0 360.498 2.898 20 10 FFCDRO C[NH+](C)CCn1nccc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000901056228 1020793848 /nfs/dbraw/zinc/79/38/48/1020793848.db2.gz WRNXXLBQMBMUAB-UHFFFAOYSA-N 1 0 368.437 2.586 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CCC[C@H]3F)ccc(O)c21 ZINC001217980899 1032931208 /nfs/dbraw/zinc/93/12/08/1032931208.db2.gz NFKWIKQDOQCEBA-CJNGLKHVSA-N 1 0 355.365 2.637 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccc2ccccc2c1O ZINC000903398469 1020821886 /nfs/dbraw/zinc/82/18/86/1020821886.db2.gz SEMFLUZAPPYZMF-HIFRSBDPSA-N 1 0 350.422 2.971 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001217988458 1032935343 /nfs/dbraw/zinc/93/53/43/1032935343.db2.gz OITOQVDTCADTLJ-LRDDRELGSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O[C@H]3CCC[NH2+]CC3)c21 ZINC001217998743 1032942391 /nfs/dbraw/zinc/94/23/91/1032942391.db2.gz CSNRDQJUGVQHCH-LBPRGKRZSA-N 1 0 366.373 2.891 20 10 FFCDRO C[C@@H](Oc1cccc2c1C(=O)c1cccc(O)c1C2=O)C1CC[NH2+]CC1 ZINC001218004322 1032944993 /nfs/dbraw/zinc/94/49/93/1032944993.db2.gz FGELFCAUMKQJGL-GFCCVEGCSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C1c2cccc(O[C@H]3CC[NH2+]CC[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001218020860 1032958526 /nfs/dbraw/zinc/95/85/26/1032958526.db2.gz WHJPXDWZYZRFKV-HIFRSBDPSA-N 1 0 355.365 2.637 20 10 FFCDRO Cn1cnc(/C=C\C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000934940138 1021477435 /nfs/dbraw/zinc/47/74/35/1021477435.db2.gz IVDJJJCQXNKOEX-XTKXOIQPSA-N 1 0 374.872 2.573 20 10 FFCDRO Cn1cnc(/C=C/C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000934940135 1021478125 /nfs/dbraw/zinc/47/81/25/1021478125.db2.gz IVDJJJCQXNKOEX-QQOXCAACSA-N 1 0 374.872 2.573 20 10 FFCDRO COC(=O)c1cc2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc2n1C ZINC001222482342 1033002388 /nfs/dbraw/zinc/00/23/88/1033002388.db2.gz ANXFZHMPAUKWHR-UHFFFAOYSA-N 1 0 352.438 2.924 20 10 FFCDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117782798 1021884481 /nfs/dbraw/zinc/88/44/81/1021884481.db2.gz RSDCPRCDKSICNH-UHFFFAOYSA-N 1 0 373.520 2.969 20 10 FFCDRO COc1ccc([C@H]2CC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)cc1 ZINC000155281931 1022236106 /nfs/dbraw/zinc/23/61/06/1022236106.db2.gz ZYWFYIPOSDKMJQ-IBGZPJMESA-N 1 0 367.493 2.867 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccn3C3CC3)cc2)CC1 ZINC001119440095 1022768267 /nfs/dbraw/zinc/76/82/67/1022768267.db2.gz BYGCFEPRGQIXIF-UHFFFAOYSA-N 1 0 352.482 2.815 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834435 1023158110 /nfs/dbraw/zinc/15/81/10/1023158110.db2.gz JQRSGSIQZADGBN-HXUWFJFHSA-N 1 0 372.557 2.519 20 10 FFCDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000752802855 1023206807 /nfs/dbraw/zinc/20/68/07/1023206807.db2.gz KRQPCTSZLTUQDD-CHWSQXEVSA-N 1 0 364.442 2.856 20 10 FFCDRO CC(C)n1cc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000754795472 1023518881 /nfs/dbraw/zinc/51/88/81/1023518881.db2.gz XVYOJZHYVIYEQP-INIZCTEOSA-N 1 0 357.502 2.839 20 10 FFCDRO C[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1cc2c(cc1O)CCCC2 ZINC000756561221 1023728016 /nfs/dbraw/zinc/72/80/16/1023728016.db2.gz CSQMDQSOMCESTP-INIZCTEOSA-N 1 0 373.541 2.864 20 10 FFCDRO C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000756640482 1023739322 /nfs/dbraw/zinc/73/93/22/1023739322.db2.gz BKXPTCLTYHONIX-AWEZNQCLSA-N 1 0 365.493 2.809 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+]CCC1(F)F)C(=O)c1ccccc1C2=O ZINC001218452735 1033163237 /nfs/dbraw/zinc/16/32/37/1033163237.db2.gz FGRRVZNCOZGJLD-HNNXBMFYSA-N 1 0 373.355 2.852 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(NC(N)=O)cc1 ZINC000079000939 1024059166 /nfs/dbraw/zinc/05/91/66/1024059166.db2.gz ISZLPWMFIXXLJL-OAHLLOKOSA-N 1 0 354.454 2.865 20 10 FFCDRO COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCCCSc1nccs1 ZINC001121876694 1024126173 /nfs/dbraw/zinc/12/61/73/1024126173.db2.gz VYVYFGVZWAPVJK-KRWDZBQOSA-N 1 0 363.508 2.551 20 10 FFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000079293800 1024235048 /nfs/dbraw/zinc/23/50/48/1024235048.db2.gz STHKUZPFXHFGPC-SFHVURJKSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000079577454 1024300643 /nfs/dbraw/zinc/30/06/43/1024300643.db2.gz CTLISKPDDPPGTK-UHFFFAOYSA-N 1 0 374.529 2.793 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000758983287 1024411088 /nfs/dbraw/zinc/41/10/88/1024411088.db2.gz NWFVOTVSUJOJBD-UHFFFAOYSA-N 1 0 374.460 2.950 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C12CCCC2 ZINC000829629687 1033255422 /nfs/dbraw/zinc/25/54/22/1033255422.db2.gz LGZNZBINRZPUAE-RBUKOAKNSA-N 1 0 359.514 2.696 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)ccc21 ZINC001141139807 1025506893 /nfs/dbraw/zinc/50/68/93/1025506893.db2.gz CDXRLUXKYKDATF-YWZLYKJASA-N 1 0 359.470 2.614 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@]12CCC(=O)N2C ZINC001141141111 1025509770 /nfs/dbraw/zinc/50/97/70/1025509770.db2.gz PEUDJBDEJGOZLE-FPOVZHCZSA-N 1 0 357.498 2.881 20 10 FFCDRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(O)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001141159547 1025542092 /nfs/dbraw/zinc/54/20/92/1025542092.db2.gz FYEKMFXNCPHZSA-GGPKGHCWSA-N 1 0 358.438 2.555 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)c1 ZINC001141160305 1025542999 /nfs/dbraw/zinc/54/29/99/1025542999.db2.gz USSCQKXXSOTDLD-UHFFFAOYSA-N 1 0 362.433 2.910 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC001141159781 1025543443 /nfs/dbraw/zinc/54/34/43/1025543443.db2.gz KXDYJOWRTKENEA-RTWAWAEBSA-N 1 0 368.477 2.616 20 10 FFCDRO C[C@@]1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCCO1 ZINC000837507817 1025860892 /nfs/dbraw/zinc/86/08/92/1025860892.db2.gz PJXXFQUBYMDVCY-QFIPXVFZSA-N 1 0 371.525 2.794 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccccc1O ZINC000838906649 1026530106 /nfs/dbraw/zinc/53/01/06/1026530106.db2.gz LQMXJUNTPBFJMZ-HZPDHXFCSA-N 1 0 367.449 2.896 20 10 FFCDRO COc1c(O)c(CN2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000839136455 1026601780 /nfs/dbraw/zinc/60/17/80/1026601780.db2.gz TWDPZTJCTRJDHW-UHFFFAOYSA-N 1 0 357.410 2.625 20 10 FFCDRO CCn1nc(C)c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1C ZINC000839146498 1026605153 /nfs/dbraw/zinc/60/51/53/1026605153.db2.gz JZPDRQMZUBZDLX-UHFFFAOYSA-N 1 0 364.440 2.924 20 10 FFCDRO COC[C@@H](Cc1ccccc1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839579433 1026744145 /nfs/dbraw/zinc/74/41/45/1026744145.db2.gz GGWRQQKPZULZNP-OAQYLSRUSA-N 1 0 369.509 2.558 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000840485385 1027090372 /nfs/dbraw/zinc/09/03/72/1027090372.db2.gz SMCHYBUONIZPGN-DYESRHJHSA-N 1 0 358.530 2.729 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000093358971 1027700010 /nfs/dbraw/zinc/70/00/10/1027700010.db2.gz AQPKTJRVCBNWII-UHFFFAOYSA-N 1 0 364.493 2.992 20 10 FFCDRO COc1ccnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)n1 ZINC001160616319 1027777823 /nfs/dbraw/zinc/77/78/23/1027777823.db2.gz FVPCFASTLQFEDN-QZTJIDSGSA-N 1 0 352.394 2.750 20 10 FFCDRO Fc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1N1CCOCC1 ZINC000093683603 1027798487 /nfs/dbraw/zinc/79/84/87/1027798487.db2.gz ZLSFUDGCRMKDRL-LJQANCHMSA-N 1 0 361.505 2.970 20 10 FFCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001161532155 1028218521 /nfs/dbraw/zinc/21/85/21/1028218521.db2.gz OCRRGSZYBIVOMM-CZUORRHYSA-N 1 0 371.403 2.622 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2C)cc1C ZINC001103835453 1028283406 /nfs/dbraw/zinc/28/34/06/1028283406.db2.gz OUURHNBRLYTJFN-SJLPKXTDSA-N 1 0 368.481 2.682 20 10 FFCDRO Cc1ccnc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1C(N)=O ZINC001155629667 1028825472 /nfs/dbraw/zinc/82/54/72/1028825472.db2.gz KUXVXIFUHBQKIQ-JRBPQWBISA-N 1 0 366.509 2.888 20 10 FFCDRO C[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CN1C(=O)OC(C)(C)C ZINC000690922918 1028905438 /nfs/dbraw/zinc/90/54/38/1028905438.db2.gz QCZLNNGIBFZLHZ-JSGCOSHPSA-N 1 0 364.442 2.999 20 10 FFCDRO CCc1nccc(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001156261380 1029116524 /nfs/dbraw/zinc/11/65/24/1029116524.db2.gz URSRVWCLACBEDS-UHFFFAOYSA-N 1 0 355.486 2.672 20 10 FFCDRO C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000781397102 1029187219 /nfs/dbraw/zinc/18/72/19/1029187219.db2.gz XEAJSPNTUSAWOG-APWZRJJASA-N 1 0 373.497 2.733 20 10 FFCDRO COc1cc(C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC001156655462 1029290776 /nfs/dbraw/zinc/29/07/76/1029290776.db2.gz CKVXGGLOJSIKDB-UHFFFAOYSA-N 1 0 371.441 2.671 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3cnc(Cl)cn3)cc2)CC1 ZINC001156656063 1029290906 /nfs/dbraw/zinc/29/09/06/1029290906.db2.gz NNHVTDIFDYSWAU-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO CCc1cc(N(C)Cc2ccc(N(C)C)cc2)nc(N2CCOCC2)[nH+]1 ZINC001156921305 1029406710 /nfs/dbraw/zinc/40/67/10/1029406710.db2.gz WZZQSBABLJRFKB-UHFFFAOYSA-N 1 0 355.486 2.578 20 10 FFCDRO C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000782562174 1029746946 /nfs/dbraw/zinc/74/69/46/1029746946.db2.gz KROOZWPOKXGGGY-KRWDZBQOSA-N 1 0 374.529 2.710 20 10 FFCDRO Cc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nn1C ZINC000840908517 1029918212 /nfs/dbraw/zinc/91/82/12/1029918212.db2.gz SCEQYXSMZISRPH-UHFFFAOYSA-N 1 0 353.514 2.550 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000840912564 1029923282 /nfs/dbraw/zinc/92/32/82/1029923282.db2.gz RQKLUEVZQRBGQF-UHFFFAOYSA-N 1 0 363.456 2.970 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000840952485 1029941441 /nfs/dbraw/zinc/94/14/41/1029941441.db2.gz BDOQQASYGXQMEZ-GOSISDBHSA-N 1 0 363.502 2.787 20 10 FFCDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(N)cc2)c(OC)c1 ZINC000841034005 1029991900 /nfs/dbraw/zinc/99/19/00/1029991900.db2.gz FDMNRNHGZCUOKV-CQSZACIVSA-N 1 0 357.454 2.835 20 10 FFCDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841046186 1030000213 /nfs/dbraw/zinc/00/02/13/1030000213.db2.gz XMWWPAJYONQTEW-QRWLVFNGSA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841073145 1030018203 /nfs/dbraw/zinc/01/82/03/1030018203.db2.gz RBZKZKPALDWRIX-INIZCTEOSA-N 1 0 372.513 2.710 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1CC1 ZINC000841182997 1030096211 /nfs/dbraw/zinc/09/62/11/1030096211.db2.gz MBLFXVRQKRFQKX-QGZVFWFLSA-N 1 0 351.410 2.894 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1O ZINC000783504866 1030127400 /nfs/dbraw/zinc/12/74/00/1030127400.db2.gz NYDBZXUNOHMUNT-RDJZCZTQSA-N 1 0 353.466 2.945 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc4n[nH]nc43)c2)CC1 ZINC000783693471 1030237337 /nfs/dbraw/zinc/23/73/37/1030237337.db2.gz QLHHLZYABORZJH-UHFFFAOYSA-N 1 0 364.453 2.741 20 10 FFCDRO CC[C@@H](CNC(=O)NCCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000841692474 1030408237 /nfs/dbraw/zinc/40/82/37/1030408237.db2.gz HDZWSTVXHIVUQF-NRFANRHFSA-N 1 0 366.509 2.947 20 10 FFCDRO Nc1ccc(CCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000841694753 1030410529 /nfs/dbraw/zinc/41/05/29/1030410529.db2.gz KCYHTCJXKOMMKK-FQEVSTJZSA-N 1 0 352.482 2.948 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@H]21 ZINC000841707141 1030418919 /nfs/dbraw/zinc/41/89/19/1030418919.db2.gz OETNEFLGGUDBQL-QXAKKESOSA-N 1 0 374.554 2.509 20 10 FFCDRO CCC[NH2+]CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782684 1030462274 /nfs/dbraw/zinc/46/22/74/1030462274.db2.gz PVVYLCRFNRZIST-UHFFFAOYSA-N 1 0 370.444 2.556 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3CCC(=O)[O-])cc2)CC1 ZINC000841810328 1030481987 /nfs/dbraw/zinc/48/19/87/1030481987.db2.gz BENTYWYBEBKMJC-UYAOXDASSA-N 1 0 359.514 2.952 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCCOCC1 ZINC000784567102 1030686028 /nfs/dbraw/zinc/68/60/28/1030686028.db2.gz WCQBPDXSHLJUCW-FQEVSTJZSA-N 1 0 371.525 2.652 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000699642180 1030701329 /nfs/dbraw/zinc/70/13/29/1030701329.db2.gz XGCSBYWXGDUBOU-MAUKXSAKSA-N 1 0 363.502 2.867 20 10 FFCDRO Cc1ccc([C@H](CNC(=O)Cc2ccc(O)c(O)c2)[NH+]2CCCC2)cc1 ZINC001142709165 1030745592 /nfs/dbraw/zinc/74/55/92/1030745592.db2.gz RBYKCSRJFFOZKG-SFHVURJKSA-N 1 0 354.450 2.902 20 10 FFCDRO Cc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccccc4O)C3)C2)nn1 ZINC001203552307 1030762370 /nfs/dbraw/zinc/76/23/70/1030762370.db2.gz ITOGYYNEQNTEIR-NRFANRHFSA-N 1 0 368.481 2.610 20 10 FFCDRO CCN(CC)C(=O)c1cccnc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203558624 1030768309 /nfs/dbraw/zinc/76/83/09/1030768309.db2.gz QOVVKQDFPNILBS-UHFFFAOYSA-N 1 0 368.481 2.591 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1O ZINC001203594237 1030779523 /nfs/dbraw/zinc/77/95/23/1030779523.db2.gz VUTZFJULPKZGKC-UHFFFAOYSA-N 1 0 366.461 2.856 20 10 FFCDRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1O ZINC001203658360 1030808610 /nfs/dbraw/zinc/80/86/10/1030808610.db2.gz KLDTYTKZSNTMLY-CABCVRRESA-N 1 0 363.870 2.991 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC12COC2 ZINC001203665226 1030814335 /nfs/dbraw/zinc/81/43/35/1030814335.db2.gz CNMJNQSECYGHGD-OAHLLOKOSA-N 1 0 368.861 2.771 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1 ZINC001203671109 1030817022 /nfs/dbraw/zinc/81/70/22/1030817022.db2.gz JMVQICPGXMUEDM-QFBILLFUSA-N 1 0 370.424 2.630 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203879601 1030954876 /nfs/dbraw/zinc/95/48/76/1030954876.db2.gz UMARAZSGDIGKAJ-OAQYLSRUSA-N 1 0 367.449 2.508 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 ZINC001203930272 1030988392 /nfs/dbraw/zinc/98/83/92/1030988392.db2.gz QOOKQONAQBCCHW-SFHVURJKSA-N 1 0 363.502 2.820 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001203931243 1030990431 /nfs/dbraw/zinc/99/04/31/1030990431.db2.gz DSRLBDFAVYHCNE-FGZHOGPDSA-N 1 0 366.509 2.623 20 10 FFCDRO CC(C)C(=O)N[C@H]1COCCC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001203933171 1030993190 /nfs/dbraw/zinc/99/31/90/1030993190.db2.gz IJKHVRGNLHKOJE-FQEVSTJZSA-N 1 0 373.541 2.896 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001203942043 1030998208 /nfs/dbraw/zinc/99/82/08/1030998208.db2.gz JXUWNCQHLPFSII-ZWKOTPCHSA-N 1 0 363.502 2.603 20 10 FFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(N(C)C)c3ccccc13)C2 ZINC001204240203 1031182044 /nfs/dbraw/zinc/18/20/44/1031182044.db2.gz LNODDQYQCUJONV-LJQANCHMSA-N 1 0 368.477 2.917 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1)N1CCC(=O)CC1 ZINC001204320802 1031226835 /nfs/dbraw/zinc/22/68/35/1031226835.db2.gz AUEKQZVMFMZNTN-UHFFFAOYSA-N 1 0 369.509 2.690 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)cc(O)c1O ZINC001204345123 1031240522 /nfs/dbraw/zinc/24/05/22/1031240522.db2.gz HYFUERIUEXNVAU-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204345872 1031242220 /nfs/dbraw/zinc/24/22/20/1031242220.db2.gz COHMGKPMXLRVBP-UHFFFAOYSA-N 1 0 366.458 2.843 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)ncn1 ZINC001143116456 1031246048 /nfs/dbraw/zinc/24/60/48/1031246048.db2.gz BXEJDHHPVFSJSS-UHFFFAOYSA-N 1 0 356.470 2.811 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc(O)c1O ZINC001204350053 1031246171 /nfs/dbraw/zinc/24/61/71/1031246171.db2.gz WJBJFVDVNRYZJV-LJQANCHMSA-N 1 0 374.462 2.797 20 10 FFCDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350829 1031342523 /nfs/dbraw/zinc/34/25/23/1031342523.db2.gz ZIDUGZGYAUYLIC-UHFFFAOYSA-N 1 0 354.410 2.753 20 10 FFCDRO CN(CCOc1ccccc1F)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350588 1031344640 /nfs/dbraw/zinc/34/46/40/1031344640.db2.gz PQBLVMINTJOXPJ-UHFFFAOYSA-N 1 0 371.456 2.574 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000799716552 1031863668 /nfs/dbraw/zinc/86/36/68/1031863668.db2.gz UQIJWXNWHCHBMT-QGZVFWFLSA-N 1 0 355.482 2.874 20 10 FFCDRO COc1cc(O)c(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205788962 1031994859 /nfs/dbraw/zinc/99/48/59/1031994859.db2.gz UHDQEWRLPUEUCL-SECBINFHSA-N 1 0 365.218 2.579 20 10 FFCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccc(I)c2O)C1 ZINC001205851941 1032031465 /nfs/dbraw/zinc/03/14/65/1032031465.db2.gz DDMZRNXKTSSUMG-PWSUYJOCSA-N 1 0 360.239 2.556 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cccc(F)c4O)CC[N@@H+]3C2)n1 ZINC001138125295 1033804081 /nfs/dbraw/zinc/80/40/81/1033804081.db2.gz NHHWBAURBCQRCN-RTBURBONSA-N 1 0 371.456 2.710 20 10 FFCDRO c1cc(N2CCCCC2)ccc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001138218540 1033971064 /nfs/dbraw/zinc/97/10/64/1033971064.db2.gz KLWQFBCDYTYSQT-SZPZYZBQSA-N 1 0 355.526 2.972 20 10 FFCDRO Cc1c(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c2ccccc2n1C ZINC001138255656 1034025354 /nfs/dbraw/zinc/02/53/54/1034025354.db2.gz OKORTWHCOQJJBT-UHFFFAOYSA-N 1 0 374.492 2.986 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCCS3)cc2)CC1 ZINC001224850110 1034034044 /nfs/dbraw/zinc/03/40/44/1034034044.db2.gz GUBDXMJYKGTKFP-SFHVURJKSA-N 1 0 362.543 2.523 20 10 FFCDRO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000831352885 1034047747 /nfs/dbraw/zinc/04/77/47/1034047747.db2.gz FEHCPKDJQPLGRR-RBUKOAKNSA-N 1 0 361.530 2.893 20 10 FFCDRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212757 1034048452 /nfs/dbraw/zinc/04/84/52/1034048452.db2.gz VFWJRERMASAXNT-QMTHXVAHSA-N 1 0 365.861 2.741 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 ZINC000831578064 1034131821 /nfs/dbraw/zinc/13/18/21/1034131821.db2.gz WEYSGFHFNVSWMS-HOTGVXAUSA-N 1 0 369.431 2.985 20 10 FFCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340352 1034170284 /nfs/dbraw/zinc/17/02/84/1034170284.db2.gz UGWKVECBUCTPQW-HNNXBMFYSA-N 1 0 358.482 2.866 20 10 FFCDRO Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)CCCN5C)C[C@H]3O2)n1 ZINC001138357928 1034195601 /nfs/dbraw/zinc/19/56/01/1034195601.db2.gz YLTIWMTZWBFLPL-CMKODMSKSA-N 1 0 368.481 2.592 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138359712 1034197078 /nfs/dbraw/zinc/19/70/78/1034197078.db2.gz XTWZMPCCXAUHHU-QGZVFWFLSA-N 1 0 354.454 2.521 20 10 FFCDRO O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138495331 1034332119 /nfs/dbraw/zinc/33/21/19/1034332119.db2.gz HMXSIZPWQFBQCO-UXHICEINSA-N 1 0 363.461 2.691 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC001138499703 1034341195 /nfs/dbraw/zinc/34/11/95/1034341195.db2.gz FHTLPSORXDGTCQ-PKOBYXMFSA-N 1 0 373.497 2.574 20 10 FFCDRO CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500336 1034343394 /nfs/dbraw/zinc/34/33/94/1034343394.db2.gz XUISEAMLSXLXAC-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000832266104 1034686569 /nfs/dbraw/zinc/68/65/69/1034686569.db2.gz CUKXLUUFBVKXRV-SFHVURJKSA-N 1 0 355.413 2.997 20 10 FFCDRO CCCn1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1C1CC1 ZINC000832266868 1034688418 /nfs/dbraw/zinc/68/84/18/1034688418.db2.gz KEHSRHYJIJMOQX-SFHVURJKSA-N 1 0 355.486 2.666 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000832273389 1034695700 /nfs/dbraw/zinc/69/57/00/1034695700.db2.gz NRTIVLYLHPSEJW-RLFYNMQTSA-N 1 0 359.420 2.951 20 10 FFCDRO CCc1c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]c(C)c1C(C)=O ZINC000832273440 1034696267 /nfs/dbraw/zinc/69/62/67/1034696267.db2.gz OCAJMXNQQZJYTQ-KRWDZBQOSA-N 1 0 356.470 2.584 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000832293346 1034707192 /nfs/dbraw/zinc/70/71/92/1034707192.db2.gz VHSKKTRRPOFDFS-SFHVURJKSA-N 1 0 359.445 2.865 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000832293283 1034707761 /nfs/dbraw/zinc/70/77/61/1034707761.db2.gz UAJSFPKDTUNMRK-LJQANCHMSA-N 1 0 359.445 2.867 20 10 FFCDRO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300571 1034714250 /nfs/dbraw/zinc/71/42/50/1034714250.db2.gz ZEKAIRLPKFXOCJ-YCRPNKLZSA-N 1 0 367.493 2.825 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](NC(=O)N(C)C)C3)cc2)CC1 ZINC000832550055 1034855997 /nfs/dbraw/zinc/85/59/97/1034855997.db2.gz INMQBVQVGLPVDU-GOSISDBHSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1cc(CN2CCN(c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139253145 1035030136 /nfs/dbraw/zinc/03/01/36/1035030136.db2.gz NMVBTQCRFSCKSY-UHFFFAOYSA-N 1 0 355.482 2.785 20 10 FFCDRO CCCCN(CC(=O)OCC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259048 1035031731 /nfs/dbraw/zinc/03/17/31/1035031731.db2.gz FVJSAQIJFKIDAQ-UHFFFAOYSA-N 1 0 352.475 2.628 20 10 FFCDRO CCN1CC2(CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)[C@@H](COC)C1=O ZINC001139671430 1035193878 /nfs/dbraw/zinc/19/38/78/1035193878.db2.gz LXLAGZDZPFRZNX-IBGZPJMESA-N 1 0 373.541 2.768 20 10 FFCDRO Cc1cc(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)ccc1N(C)C ZINC001139671083 1035194165 /nfs/dbraw/zinc/19/41/65/1035194165.db2.gz GJQBUWAAODVJJX-UHFFFAOYSA-N 1 0 364.497 2.561 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)ccc1N(C)C ZINC001139671709 1035194313 /nfs/dbraw/zinc/19/43/13/1035194313.db2.gz OSWQDXZSIRGDDA-KNQAVFIVSA-N 1 0 367.493 2.983 20 10 FFCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3c(O)cccc3Br)C2)N1 ZINC001140099839 1035341559 /nfs/dbraw/zinc/34/15/59/1035341559.db2.gz VMFXBFLNSPSGIP-MRXNPFEDSA-N 1 0 353.260 2.789 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)c1O ZINC001140179507 1035370029 /nfs/dbraw/zinc/37/00/29/1035370029.db2.gz FSTIPRCJIAZWDQ-QXAKKESOSA-N 1 0 374.481 2.542 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1O ZINC001140180176 1035370161 /nfs/dbraw/zinc/37/01/61/1035370161.db2.gz CVGQTBUOSPFTCX-PMACEKPBSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1O ZINC001140180903 1035370531 /nfs/dbraw/zinc/37/05/31/1035370531.db2.gz ODUSUNORKXVIGS-NRFANRHFSA-N 1 0 368.481 2.670 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccnc(N4CCCC4)n3)CC2)c1O ZINC001140184061 1035371489 /nfs/dbraw/zinc/37/14/89/1035371489.db2.gz LLNAJNSSRUZVEY-UHFFFAOYSA-N 1 0 367.497 2.721 20 10 FFCDRO Oc1cccc2c1[C@@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)CC2 ZINC000834578262 1035408982 /nfs/dbraw/zinc/40/89/82/1035408982.db2.gz IYTRSTUZPZAION-UXHICEINSA-N 1 0 352.478 2.913 20 10 FFCDRO COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140282997 1035417300 /nfs/dbraw/zinc/41/73/00/1035417300.db2.gz HTEBSXKKSOYYGG-YADHBBJMSA-N 1 0 374.525 2.665 20 10 FFCDRO CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140306709 1035428279 /nfs/dbraw/zinc/42/82/79/1035428279.db2.gz VOZOAYSOQFNFER-WIYYLYMNSA-N 1 0 373.541 2.992 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342639 1035445461 /nfs/dbraw/zinc/44/54/61/1035445461.db2.gz RPFYEMBLWGJKFT-NWDGAFQWSA-N 1 0 356.850 2.506 20 10 FFCDRO O=C(COC1CC[NH+](Cc2c(O)cccc2Cl)CC1)N1CCCC1 ZINC001140342560 1035445553 /nfs/dbraw/zinc/44/55/53/1035445553.db2.gz PFIODRPORXZFGE-UHFFFAOYSA-N 1 0 352.862 2.649 20 10 FFCDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c(O)cccc3Cl)CC2)C1 ZINC001140342619 1035445634 /nfs/dbraw/zinc/44/56/34/1035445634.db2.gz QZWGKNLDWMZVOA-AWEZNQCLSA-N 1 0 366.889 2.895 20 10 FFCDRO COCCN1CC[C@]2(CCC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001140467722 1035486068 /nfs/dbraw/zinc/48/60/68/1035486068.db2.gz WFLYHQPQUWYIGK-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000835026919 1035489823 /nfs/dbraw/zinc/48/98/23/1035489823.db2.gz YXMXPSQAUNMKLQ-ARJAWSKDSA-N 1 0 364.493 2.687 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000835035781 1035490625 /nfs/dbraw/zinc/49/06/25/1035490625.db2.gz FHXJDWPHRBXTGK-SNAWJCMRSA-N 1 0 374.506 2.838 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000835048336 1035493210 /nfs/dbraw/zinc/49/32/10/1035493210.db2.gz QFMCBRLGOASKOT-JKTFDMFLSA-N 1 0 364.493 2.942 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000835054710 1035494497 /nfs/dbraw/zinc/49/44/97/1035494497.db2.gz MHHXTKACCSVZTC-SOFGYWHQSA-N 1 0 373.522 2.806 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000835074215 1035512685 /nfs/dbraw/zinc/51/26/85/1035512685.db2.gz QSHNTPZRFQTLHD-DLBZAZTESA-N 1 0 372.469 2.828 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232259870 1035532143 /nfs/dbraw/zinc/53/21/43/1035532143.db2.gz LWTUPZWHCOTZMZ-FOIQADDNSA-N 1 0 372.852 2.857 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc1Cl ZINC001232261738 1035534275 /nfs/dbraw/zinc/53/42/75/1035534275.db2.gz NPASIIDZRUVDHZ-KDOFPFPSSA-N 1 0 353.846 2.911 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)cc1Cl ZINC001232265431 1035538204 /nfs/dbraw/zinc/53/82/04/1035538204.db2.gz LDOPCRHSQQOINN-ZDUSSCGKSA-N 1 0 352.862 2.745 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCN(C(C)=O)C3)CC2)cc1Cl ZINC001232269019 1035541550 /nfs/dbraw/zinc/54/15/50/1035541550.db2.gz YWCMTGLVDOAPOG-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)C1=O ZINC001277212139 1035568614 /nfs/dbraw/zinc/56/86/14/1035568614.db2.gz DSJUJXNNZROCBK-HRAATJIYSA-N 1 0 359.514 2.984 20 10 FFCDRO COC(=O)c1c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccc2n1C ZINC001232401524 1035651286 /nfs/dbraw/zinc/65/12/86/1035651286.db2.gz XEHLKFFPRVTCAY-UHFFFAOYSA-N 1 0 367.493 2.883 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1O ZINC001140744991 1036034882 /nfs/dbraw/zinc/03/48/82/1036034882.db2.gz RVWBZKHPMXSNBR-HFSMHLIXSA-N 1 0 370.449 2.750 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001140749701 1036053315 /nfs/dbraw/zinc/05/33/15/1036053315.db2.gz JUEXIVUGKIGTHT-KRWDZBQOSA-N 1 0 356.422 2.549 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)c(O)c1 ZINC001232839883 1036093022 /nfs/dbraw/zinc/09/30/22/1036093022.db2.gz XLGWYOBYSMERSR-UHFFFAOYSA-N 1 0 357.498 2.825 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c(O)c1 ZINC001232839597 1036093232 /nfs/dbraw/zinc/09/32/32/1036093232.db2.gz RHCGFZJBYLPWJQ-FQEVSTJZSA-N 1 0 365.477 2.912 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c(O)c1 ZINC001232838486 1036094795 /nfs/dbraw/zinc/09/47/95/1036094795.db2.gz KPVYZLNWQVVHKA-DENIHFKCSA-N 1 0 365.477 2.564 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1c1ccccc1 ZINC001232841590 1036096751 /nfs/dbraw/zinc/09/67/51/1036096751.db2.gz KYTXILCLEYYHIV-RTBURBONSA-N 1 0 354.450 2.847 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccc(I)cc2O)CC[C@@]1(C)O ZINC001232974439 1036207434 /nfs/dbraw/zinc/20/74/34/1036207434.db2.gz OCCOLMBLIKIAAB-IINYFYTJSA-N 1 0 361.223 2.590 20 10 FFCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001232979562 1036209890 /nfs/dbraw/zinc/20/98/90/1036209890.db2.gz GESMGLLSVNXIIE-CYBMUJFWSA-N 1 0 361.223 2.998 20 10 FFCDRO CCOC[C@H]1CN(Cc2ccc(N(CC)CC)cc2O)Cc2nnn(C)c21 ZINC001140852324 1036284474 /nfs/dbraw/zinc/28/44/74/1036284474.db2.gz KDRQIMBWFYERNW-MRXNPFEDSA-N 1 0 373.501 2.503 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000836289637 1036413251 /nfs/dbraw/zinc/41/32/51/1036413251.db2.gz MBXCIZJHVDKZAQ-AZUAARDMSA-N 1 0 356.514 2.768 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)N3[C@@H]4CC[C@H]3CN(C)C4)cs2)cc1 ZINC001277344758 1036433832 /nfs/dbraw/zinc/43/38/32/1036433832.db2.gz BLKFLIHWUDICRR-IYBDPMFKSA-N 1 0 356.495 2.795 20 10 FFCDRO CN(C)c1ccc(CN2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c(Cl)c1 ZINC001140925076 1036463120 /nfs/dbraw/zinc/46/31/20/1036463120.db2.gz ZVZATDJSGOORDH-HNNXBMFYSA-N 1 0 361.921 2.796 20 10 FFCDRO CCOC(=O)c1c(C[N@H+](CCC(=O)OC)C2CC2)c2ccccc2n1C ZINC001233273242 1036479693 /nfs/dbraw/zinc/47/96/93/1036479693.db2.gz UMLGVBBMAZUSQX-UHFFFAOYSA-N 1 0 358.438 2.883 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2C[C@H](C(=O)OC)C3(CC3)C2)c2ccccc2n1C ZINC001233273599 1036480335 /nfs/dbraw/zinc/48/03/35/1036480335.db2.gz JMHQTXSQBPCSOS-MRXNPFEDSA-N 1 0 370.449 2.740 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)C[C@]12CCN(c1cccnc1)C2=O ZINC001233333373 1036538237 /nfs/dbraw/zinc/53/82/37/1036538237.db2.gz TWIHPNHWNMGTOZ-ZUOKHONESA-N 1 0 373.403 2.940 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)nc1 ZINC001233455396 1036633836 /nfs/dbraw/zinc/63/38/36/1036633836.db2.gz JDYCUIZQTONZQV-ZDUSSCGKSA-N 1 0 369.343 2.863 20 10 FFCDRO COc1cccc(C(=O)C2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)c1 ZINC001233483045 1036650680 /nfs/dbraw/zinc/65/06/80/1036650680.db2.gz MDCAKIMVPJRFHU-UHFFFAOYSA-N 1 0 357.406 2.907 20 10 FFCDRO O=C1N(CC2CCCC2)CCC12CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233483807 1036650776 /nfs/dbraw/zinc/65/07/76/1036650776.db2.gz MTAODEMWQHJJCC-UHFFFAOYSA-N 1 0 374.481 2.808 20 10 FFCDRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233483824 1036651033 /nfs/dbraw/zinc/65/10/33/1036651033.db2.gz NGPQCIAZOIHSDM-UHFFFAOYSA-N 1 0 372.421 2.667 20 10 FFCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233483548 1036651398 /nfs/dbraw/zinc/65/13/98/1036651398.db2.gz CXSRRVIXEHAXHT-ZDUSSCGKSA-N 1 0 352.431 2.635 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486684 1036655623 /nfs/dbraw/zinc/65/56/23/1036655623.db2.gz XTZCPLHBTPBOOG-YPMHNXCESA-N 1 0 352.431 2.539 20 10 FFCDRO CC[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233487334 1036655963 /nfs/dbraw/zinc/65/59/63/1036655963.db2.gz ZMPOZUMRPRDOGP-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO CC[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233486319 1036655977 /nfs/dbraw/zinc/65/59/77/1036655977.db2.gz IMUFGMBPHRYNMA-ZDUSSCGKSA-N 1 0 352.431 2.635 20 10 FFCDRO COC(=O)CC[N@H+](Cc1ccccc1)Cc1c(O)cc(OC)cc1OC ZINC001141028086 1036764842 /nfs/dbraw/zinc/76/48/42/1036764842.db2.gz ATSHRGBEBVYZQM-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)cc(OC)c2O)C1=O ZINC001277421715 1036910609 /nfs/dbraw/zinc/91/06/09/1036910609.db2.gz GZNWSSOTIGNGJQ-VLIAUNLRSA-N 1 0 362.470 2.775 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(OC)cc(OC)c3O)C2)C1=O ZINC001277422012 1036912063 /nfs/dbraw/zinc/91/20/63/1036912063.db2.gz MLPCFEDDMSOPLU-JLTOFOAXSA-N 1 0 362.470 2.632 20 10 FFCDRO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)cc(OC)c1O ZINC001277422948 1036920082 /nfs/dbraw/zinc/92/00/82/1036920082.db2.gz WKJQUCZSOPCIGQ-IAOVAPTHSA-N 1 0 362.470 2.773 20 10 FFCDRO c1c(C[NH+]2CCC(N3CCOCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074511 1036922047 /nfs/dbraw/zinc/92/20/47/1036922047.db2.gz KJYRVBLYALRYFC-UHFFFAOYSA-N 1 0 355.526 2.682 20 10 FFCDRO COCC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CCN(C)CC1 ZINC001141076211 1036925444 /nfs/dbraw/zinc/92/54/44/1036925444.db2.gz MSYDRZWMSPHRCG-UHFFFAOYSA-N 1 0 357.542 2.928 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1Br ZINC001277426902 1036952539 /nfs/dbraw/zinc/95/25/39/1036952539.db2.gz LPDUJVAPSRMMJK-INIZCTEOSA-N 1 0 353.260 2.517 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCc4ncnc(OC)c4CC3)c2c1 ZINC001234544901 1037080820 /nfs/dbraw/zinc/08/08/20/1037080820.db2.gz MXVXHCPUXUARQT-UHFFFAOYSA-N 1 0 365.433 2.953 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(CCC(C)(C)O)CC3)c2c1 ZINC001234568917 1037092305 /nfs/dbraw/zinc/09/23/05/1037092305.db2.gz HFFVPIYBICLNSL-UHFFFAOYSA-N 1 0 358.482 2.833 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3Cc4ccnn4CC[C@@H]3CO)c2c1 ZINC001234570066 1037092368 /nfs/dbraw/zinc/09/23/68/1037092368.db2.gz WURFRDIIAIIJJK-MRXNPFEDSA-N 1 0 353.422 2.517 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235120005 1037371626 /nfs/dbraw/zinc/37/16/26/1037371626.db2.gz RZSKYVFHXPJDCN-QFIPXVFZSA-N 1 0 368.477 2.926 20 10 FFCDRO Cc1cc(CN2CCCO[C@]3(C[NH2+]CCOC3)C2)c(C)n1-c1ccccc1 ZINC001235201955 1037408917 /nfs/dbraw/zinc/40/89/17/1037408917.db2.gz SCVZEPBANDGLRC-JOCHJYFZSA-N 1 0 369.509 2.675 20 10 FFCDRO Cc1cc(CN2CCCO[C@@]3(C[NH2+]CCOC3)C2)c(C)n1-c1ccccc1 ZINC001235201963 1037409485 /nfs/dbraw/zinc/40/94/85/1037409485.db2.gz SCVZEPBANDGLRC-QFIPXVFZSA-N 1 0 369.509 2.675 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCO[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001235211246 1037415011 /nfs/dbraw/zinc/41/50/11/1037415011.db2.gz BHVABXGIUIMPRK-CTNGQTDRSA-N 1 0 361.530 2.971 20 10 FFCDRO CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001277942690 1037525544 /nfs/dbraw/zinc/52/55/44/1037525544.db2.gz FIOVWRXUJWZCIU-GOSISDBHSA-N 1 0 359.514 2.977 20 10 FFCDRO O=C([O-])c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001231452234 1037590876 /nfs/dbraw/zinc/59/08/76/1037590876.db2.gz IBOQFAIRABMHGH-OALUTQOASA-N 1 0 352.434 2.654 20 10 FFCDRO COc1cc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c(O)cc1O ZINC001231632991 1037751061 /nfs/dbraw/zinc/75/10/61/1037751061.db2.gz HDUXANLRXOPHDU-UHFFFAOYSA-N 1 0 366.458 2.843 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c(O)cc1O ZINC001231634430 1037755594 /nfs/dbraw/zinc/75/55/94/1037755594.db2.gz IQDMTPBHTHDADY-GPMSIDNRSA-N 1 0 363.454 2.655 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)c1 ZINC001231636843 1037757946 /nfs/dbraw/zinc/75/79/46/1037757946.db2.gz ALKHGMAGEGDVOJ-UHFFFAOYSA-N 1 0 358.438 2.827 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231636819 1037758614 /nfs/dbraw/zinc/75/86/14/1037758614.db2.gz AHHHLTRJTRWRTQ-JSGCOSHPSA-N 1 0 366.458 2.842 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@H](OC)c3ccccc3)CC2)c(O)cc1O ZINC001231638859 1037762461 /nfs/dbraw/zinc/76/24/61/1037762461.db2.gz HKCSKALEILSBOC-NRFANRHFSA-N 1 0 372.465 2.612 20 10 FFCDRO Oc1cc2c(cc1CN1CCN(c3ccccc3Cl)CC1)C[NH2+]CCO2 ZINC001235819725 1037768178 /nfs/dbraw/zinc/76/81/78/1037768178.db2.gz HHDXEFZDJIRCEY-UHFFFAOYSA-N 1 0 373.884 2.850 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cccc(F)c3)cc2)CC1 ZINC001536934516 1070088456 /nfs/dbraw/zinc/08/84/56/1070088456.db2.gz WPYSJOKDKBAOLJ-JXMROGBWSA-N 1 0 353.441 2.907 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CCCCO4)CC[C@H]32)c(O)c1 ZINC001231844216 1037941204 /nfs/dbraw/zinc/94/12/04/1037941204.db2.gz JGESQCKITCBQJP-RLLQIKCJSA-N 1 0 374.481 2.685 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)c(O)c1 ZINC001231844764 1037942406 /nfs/dbraw/zinc/94/24/06/1037942406.db2.gz PMDZYGOWSUJPBW-OAQYLSRUSA-N 1 0 368.481 2.528 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c(O)c1 ZINC001231844951 1037942438 /nfs/dbraw/zinc/94/24/38/1037942438.db2.gz SWYKSELSBRMOEA-ILZDJORESA-N 1 0 358.482 2.611 20 10 FFCDRO COCCN1CCOC[C@@]2(CCC[N@H+](Cc3c(C)cc(C)cc3O)C2)C1 ZINC001231844983 1037943244 /nfs/dbraw/zinc/94/32/44/1037943244.db2.gz VBUCIAGYARZBRC-NRFANRHFSA-N 1 0 362.514 2.570 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001231852800 1037948427 /nfs/dbraw/zinc/94/84/27/1037948427.db2.gz OGTCVJDXMVQQHF-APWZRJJASA-N 1 0 359.514 2.840 20 10 FFCDRO COc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)n1 ZINC001231857698 1037956268 /nfs/dbraw/zinc/95/62/68/1037956268.db2.gz NNBRGILYSARNLM-KRWDZBQOSA-N 1 0 372.469 2.603 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1CN1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001236165073 1037959456 /nfs/dbraw/zinc/95/94/56/1037959456.db2.gz ICHNIUWLGJJLSZ-NRFANRHFSA-N 1 0 368.477 2.660 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)cc1Cl ZINC001231869366 1037965871 /nfs/dbraw/zinc/96/58/71/1037965871.db2.gz MYIQOFZXWDTESW-CALCHBBNSA-N 1 0 371.868 2.953 20 10 FFCDRO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001236302656 1038032217 /nfs/dbraw/zinc/03/22/17/1038032217.db2.gz AHDRRDDBKIZWBP-FQEVSTJZSA-N 1 0 353.466 2.518 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)OCCO3)c(O)cc1Br ZINC001236746578 1038234096 /nfs/dbraw/zinc/23/40/96/1038234096.db2.gz DZAKJRGJHFWLDN-UHFFFAOYSA-N 1 0 358.232 2.502 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)[C@@H](C)C2)cc1OC ZINC001236749523 1038234955 /nfs/dbraw/zinc/23/49/55/1038234955.db2.gz GFZDNQOQOIPCDQ-MEDUHNTESA-N 1 0 363.376 2.935 20 10 FFCDRO COc1cc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(O)cc1Br ZINC001236752221 1038237396 /nfs/dbraw/zinc/23/73/96/1038237396.db2.gz UPSICSIRSKHWPR-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1ccc(OC2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)nc1 ZINC001236753857 1038240723 /nfs/dbraw/zinc/24/07/23/1038240723.db2.gz QSAOJJZNGKHODZ-UHFFFAOYSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc1OC ZINC001236755500 1038243677 /nfs/dbraw/zinc/24/36/77/1038243677.db2.gz FCFMJPUMBIJONI-UZLBHIALSA-N 1 0 363.454 2.569 20 10 FFCDRO Oc1cc(C[NH+]2CCC(n3cccn3)CC2)c(O)cc1Br ZINC001236762435 1038250650 /nfs/dbraw/zinc/25/06/50/1038250650.db2.gz PESBDBISGGGURJ-UHFFFAOYSA-N 1 0 352.232 2.894 20 10 FFCDRO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3cc(OCc4ccccc4)ccc3O)[C@H]2C1 ZINC001236779123 1038262866 /nfs/dbraw/zinc/26/28/66/1038262866.db2.gz QHEXLDNVAJLJTM-XJABCFGWSA-N 1 0 369.461 2.943 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c(O)c1 ZINC001236788826 1038267680 /nfs/dbraw/zinc/26/76/80/1038267680.db2.gz PHDZGSCNCHMRLP-IBGZPJMESA-N 1 0 372.509 2.806 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c(O)c1 ZINC001236789598 1038270864 /nfs/dbraw/zinc/27/08/64/1038270864.db2.gz ZTBJVZQWKZIQSH-UHFFFAOYSA-N 1 0 374.506 2.851 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)c(Cl)c1 ZINC001236806448 1038282504 /nfs/dbraw/zinc/28/25/04/1038282504.db2.gz WHZZFTZEZCQTDJ-LLVKDONJSA-N 1 0 365.817 2.506 20 10 FFCDRO CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812623 1038285434 /nfs/dbraw/zinc/28/54/34/1038285434.db2.gz 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ZINC001237055366 1038425863 /nfs/dbraw/zinc/42/58/63/1038425863.db2.gz NDRYIHSOIUXGMC-UHFFFAOYSA-N 1 0 357.454 2.947 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(Br)c1 ZINC001237066892 1038431492 /nfs/dbraw/zinc/43/14/92/1038431492.db2.gz ATFWCHYUTFJWQA-LLVKDONJSA-N 1 0 367.247 2.592 20 10 FFCDRO CC[N@H+](CCn1cccn1)Cc1c(O)cc(OC)cc1Br ZINC001237066814 1038431722 /nfs/dbraw/zinc/43/17/22/1038431722.db2.gz CNQIVKVMOMBOSF-UHFFFAOYSA-N 1 0 354.248 2.882 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c(Br)c1 ZINC001237073624 1038436281 /nfs/dbraw/zinc/43/62/81/1038436281.db2.gz TZTBRWSHICQZFG-IAQYHMDHSA-N 1 0 355.276 2.689 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@](C)(F)C2)[NH+](C)C)cc1 ZINC001256237003 1038445957 /nfs/dbraw/zinc/44/59/57/1038445957.db2.gz OMKNIVWKGYRXTM-HKUYNNGSSA-N 1 0 350.482 2.889 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001237110250 1038446564 /nfs/dbraw/zinc/44/65/64/1038446564.db2.gz BPKUIQVXRMTHIU-OKILXGFUSA-N 1 0 372.387 2.586 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237122176 1038448820 /nfs/dbraw/zinc/44/88/20/1038448820.db2.gz FIKONYIOTWMQPL-UHFFFAOYSA-N 1 0 360.332 2.707 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](CC[N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001209071686 1038656946 /nfs/dbraw/zinc/65/69/46/1038656946.db2.gz HLMVCCOBQSHTIW-INIZCTEOSA-N 1 0 362.470 2.776 20 10 FFCDRO CNC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001257212174 1038746048 /nfs/dbraw/zinc/74/60/48/1038746048.db2.gz FJZNYXSAAAJTET-UHFFFAOYSA-N 1 0 352.482 2.719 20 10 FFCDRO Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc(CO)n1 ZINC001258068718 1039151395 /nfs/dbraw/zinc/15/13/95/1039151395.db2.gz YYWBQVNQTKWBID-HNNXBMFYSA-N 1 0 362.861 2.713 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2OCC3)[NH+](C)C)cc1 ZINC001537483868 1070192664 /nfs/dbraw/zinc/19/26/64/1070192664.db2.gz RLLKXJAIYIGMAP-LJQANCHMSA-N 1 0 353.466 2.720 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001252306839 1039491024 /nfs/dbraw/zinc/49/10/24/1039491024.db2.gz PQKJYIKBGOTKRM-MRXNPFEDSA-N 1 0 366.255 2.822 20 10 FFCDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCc2ccc(O)c(O)c2)cc1 ZINC001252763599 1039694000 /nfs/dbraw/zinc/69/40/00/1039694000.db2.gz RMZGNQAOYBOHIU-QGZVFWFLSA-N 1 0 359.466 2.967 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CN(Cc4cn[nH]c4)C3)CC2)ccc1N(C)C ZINC001278685567 1039760559 /nfs/dbraw/zinc/76/05/59/1039760559.db2.gz APHYSAWRQXKDLM-UHFFFAOYSA-N 1 0 353.514 2.882 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(C)C[NH2+]CC[C@H]3O)n2)cc1 ZINC001247749535 1039932352 /nfs/dbraw/zinc/93/23/52/1039932352.db2.gz IFCAPIOJYPHUDE-YLJYHZDGSA-N 1 0 352.438 2.756 20 10 FFCDRO Cc1cccc(CS(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001259752374 1040165945 /nfs/dbraw/zinc/16/59/45/1040165945.db2.gz UJFCEIQVYRQVPU-UHFFFAOYSA-N 1 0 374.506 2.785 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001249174123 1040616325 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FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H](OCC)C2)c(O)c1 ZINC001249743684 1040972646 /nfs/dbraw/zinc/97/26/46/1040972646.db2.gz NGOOCJVKQYKSPS-QGZVFWFLSA-N 1 0 351.443 2.725 20 10 FFCDRO Cc1cc(CN2CCN(CCC[NH+](C)C)CC2)c(O)cc1Br ZINC001250129119 1041123919 /nfs/dbraw/zinc/12/39/19/1041123919.db2.gz YAXCAPBUDHERGV-UHFFFAOYSA-N 1 0 370.335 2.532 20 10 FFCDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001261276821 1041126612 /nfs/dbraw/zinc/12/66/12/1041126612.db2.gz UEZPBZICLDCMCR-GOSISDBHSA-N 1 0 354.450 2.625 20 10 FFCDRO C[N@H+](Cc1ccccc1O)C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255065943 1041127429 /nfs/dbraw/zinc/12/74/29/1041127429.db2.gz BVCQAFNQWJUJKQ-ALOPSCKCSA-N 1 0 362.470 2.991 20 10 FFCDRO CC(C)(CF)NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001255083556 1041132365 /nfs/dbraw/zinc/13/23/65/1041132365.db2.gz KJFPVOLWHVLGKL-UHFFFAOYSA-N 1 0 362.493 2.766 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC34CCOCC4)cc2F)CC1 ZINC001261851478 1041447077 /nfs/dbraw/zinc/44/70/77/1041447077.db2.gz VNLBGNUAMHNWFH-SFHVURJKSA-N 1 0 361.505 2.874 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nn2cnc3ccccc32)[NH+](C)C)cc1 ZINC001263026056 1042043667 /nfs/dbraw/zinc/04/36/67/1042043667.db2.gz AFAHTJJNEJDIQB-LJQANCHMSA-N 1 0 366.469 2.658 20 10 FFCDRO C/C(=C\c1cccnc1)C(=O)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001263227988 1042185023 /nfs/dbraw/zinc/18/50/23/1042185023.db2.gz GEFQMDHNESMODC-AWSZGFQOSA-N 1 0 363.461 2.994 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001279141777 1042916237 /nfs/dbraw/zinc/91/62/37/1042916237.db2.gz YUVWBTOCQJZVFQ-SQNIBIBYSA-N 1 0 354.450 2.795 20 10 FFCDRO Cc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2c(C)ccc(C)c2O)n(C)n1 ZINC001279235058 1042958500 /nfs/dbraw/zinc/95/85/00/1042958500.db2.gz LESPFCQIPGPMTA-PMACEKPBSA-N 1 0 354.498 2.900 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@H]21 ZINC001279234910 1042958622 /nfs/dbraw/zinc/95/86/22/1042958622.db2.gz IKIPLTAVHSNFCI-MSOLQXFVSA-N 1 0 373.522 2.859 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)NCC(F)(F)F)C3)C2)c(O)c1 ZINC001279337404 1043010318 /nfs/dbraw/zinc/01/03/18/1043010318.db2.gz ADIWOTKFBVYASG-UHFFFAOYSA-N 1 0 371.403 2.870 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCC3(CN(Cc4cccc(=O)[nH]4)C3)C2)c(O)c1 ZINC001279338412 1043010648 /nfs/dbraw/zinc/01/06/48/1043010648.db2.gz KKAFULMMUGGVFS-UHFFFAOYSA-N 1 0 353.466 2.899 20 10 FFCDRO COCCOCN1CCCC2(CC[NH+](Cc3ccc(C)cc3O)CC2)C1 ZINC001279337992 1043010799 /nfs/dbraw/zinc/01/07/99/1043010799.db2.gz DYWQHPSZWGPKOW-UHFFFAOYSA-N 1 0 362.514 2.999 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CN(Cc4ccc[nH]4)CCO3)C2)c(O)c1 ZINC001279338850 1043011305 /nfs/dbraw/zinc/01/13/05/1043011305.db2.gz QQFJOZWGQYUDPA-NRFANRHFSA-N 1 0 355.482 2.896 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237230380 1043066050 /nfs/dbraw/zinc/06/60/50/1043066050.db2.gz SDDNPHDRZULBND-AWEZNQCLSA-N 1 0 370.234 2.838 20 10 FFCDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2ccnc2)cc1Cl ZINC001279432176 1043106214 /nfs/dbraw/zinc/10/62/14/1043106214.db2.gz BUORIGWTXFWOMI-CALCHBBNSA-N 1 0 360.889 2.899 20 10 FFCDRO COc1cc(C(=O)N2CCC3(C[NH+](C4CCCC4)C3)CC2)cc(O)c1O ZINC001279506870 1043201717 /nfs/dbraw/zinc/20/17/17/1043201717.db2.gz RMHORLZDRGOBHQ-UHFFFAOYSA-N 1 0 360.454 2.587 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001237488135 1043202254 /nfs/dbraw/zinc/20/22/54/1043202254.db2.gz JJJGDKZWCDDOBX-RTBURBONSA-N 1 0 351.450 2.861 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c(O)c(OC)c1 ZINC001237670290 1043301287 /nfs/dbraw/zinc/30/12/87/1043301287.db2.gz RTKWQJFJGKYHOQ-DZGCQCFKSA-N 1 0 367.339 2.637 20 10 FFCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cccc(I)c3O)C[C@H]21 ZINC001237784772 1043355378 /nfs/dbraw/zinc/35/53/78/1043355378.db2.gz YTJHLRKVNVIUFE-SMDDNHRTSA-N 1 0 372.250 2.523 20 10 FFCDRO Oc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCCC(F)(F)F)cc(O)c1O ZINC001279682019 1043459592 /nfs/dbraw/zinc/45/95/92/1043459592.db2.gz JPSPGDVILNZIKQ-STQMWFEESA-N 1 0 360.376 2.795 20 10 FFCDRO Cc1cc(F)cc(CN2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)c1O ZINC001238061984 1043507605 /nfs/dbraw/zinc/50/76/05/1043507605.db2.gz RYSFTALPNZXKGD-DKSSEZFCSA-N 1 0 373.428 2.688 20 10 FFCDRO COc1ccc(N2CCCC3(C[NH+](CCn4ccnc4)C3)C2)c(OC)c1 ZINC001279758134 1043595630 /nfs/dbraw/zinc/59/56/30/1043595630.db2.gz CMXGWCLLIDZGSX-UHFFFAOYSA-N 1 0 356.470 2.503 20 10 FFCDRO COc1ccc(N2CC3(C2)CC[N@H+](Cc2cccc(=O)[nH]2)C3)c(OC)c1 ZINC001279759528 1043598331 /nfs/dbraw/zinc/59/83/31/1043598331.db2.gz ULCUXGSRYOBPLO-UHFFFAOYSA-N 1 0 355.438 2.517 20 10 FFCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)nn2C)c(OC)c1 ZINC001279760017 1043600582 /nfs/dbraw/zinc/60/05/82/1043600582.db2.gz XCUGPGKVRBLOGW-ROUUACIJSA-N 1 0 356.470 2.599 20 10 FFCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)cc1F ZINC001279761496 1043601938 /nfs/dbraw/zinc/60/19/38/1043601938.db2.gz BUPOJXFWNSMFBJ-HXUWFJFHSA-N 1 0 363.477 2.605 20 10 FFCDRO O=C([C@@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2)N1CCCCO1 ZINC001279858790 1043783524 /nfs/dbraw/zinc/78/35/24/1043783524.db2.gz AGSMZFUGFPDJHW-IBGZPJMESA-N 1 0 355.482 2.663 20 10 FFCDRO O=C(N1CCCCO1)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279861351 1043787484 /nfs/dbraw/zinc/78/74/84/1043787484.db2.gz XICVFNHJJJUEIT-WIYYLYMNSA-N 1 0 355.482 2.663 20 10 FFCDRO COc1cccc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)c1O ZINC001279977327 1044022430 /nfs/dbraw/zinc/02/24/30/1044022430.db2.gz IBARJHHBKYTSNI-UYSNPLJNSA-N 1 0 362.445 2.620 20 10 FFCDRO O=C(Nc1nnco1)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279981811 1044029516 /nfs/dbraw/zinc/02/95/16/1044029516.db2.gz HQHUUKYXZAUUSR-QHBPRCKVSA-N 1 0 362.817 2.525 20 10 FFCDRO C[C@@H]1CN(C(=O)C23CC([NH2+]Cc4cc(Cl)ccc4O)(C2)C3)C[C@@H](C)O1 ZINC001279983386 1044033819 /nfs/dbraw/zinc/03/38/19/1044033819.db2.gz JBSAQHYXYOXOOM-NYYJTOMGSA-N 1 0 364.873 2.694 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCO3)CC2)c1 ZINC001279985973 1044040259 /nfs/dbraw/zinc/04/02/59/1044040259.db2.gz MIRRTSNADFRVOM-KRWDZBQOSA-N 1 0 360.454 2.557 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(C[C@H]3C(=O)NC3CCC(F)CC3)C2)c1 ZINC001279986847 1044041485 /nfs/dbraw/zinc/04/14/85/1044041485.db2.gz YNQURRRIXPJMMT-DQPZFDDXSA-N 1 0 362.445 2.620 20 10 FFCDRO Cn1ccnc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001280292333 1044559021 /nfs/dbraw/zinc/55/90/21/1044559021.db2.gz KFGKBXAWOQJQEU-HNNXBMFYSA-N 1 0 358.417 2.506 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC001320130469 1045353197 /nfs/dbraw/zinc/35/31/97/1045353197.db2.gz LDBBGCBNHXBRCN-XJKSGUPXSA-N 1 0 364.511 2.795 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nn1 ZINC001320307078 1045387634 /nfs/dbraw/zinc/38/76/34/1045387634.db2.gz TVAHDTZLWQJRCX-UHFFFAOYSA-N 1 0 369.469 2.502 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c(O)c1 ZINC001321079595 1045537483 /nfs/dbraw/zinc/53/74/83/1045537483.db2.gz JDCUHQZIMRJSIH-UHFFFAOYSA-N 1 0 359.445 2.582 20 10 FFCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001325893128 1046678623 /nfs/dbraw/zinc/67/86/23/1046678623.db2.gz XCZJKVBJGYEOFW-YLJYHZDGSA-N 1 0 359.514 2.902 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2coc(C[NH3+])c2)cc1 ZINC001327107358 1047190222 /nfs/dbraw/zinc/19/02/22/1047190222.db2.gz QMCOQEOWPQQJHE-SFHVURJKSA-N 1 0 357.454 2.626 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nccc3cccnc32)[NH+](C)C)cc1 ZINC001289602497 1047708318 /nfs/dbraw/zinc/70/83/18/1047708318.db2.gz SBPDKMBEZZYLQS-SFHVURJKSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3ncn(C)c32)[NH+](C)C)cc1 ZINC001289602328 1047708323 /nfs/dbraw/zinc/70/83/23/1047708323.db2.gz OYRZHRITDYCEPB-IBGZPJMESA-N 1 0 365.481 2.672 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001328659927 1048406932 /nfs/dbraw/zinc/40/69/32/1048406932.db2.gz QIKSCPVSBPJCRX-UHFFFAOYSA-N 1 0 352.482 2.850 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC001329175676 1048606096 /nfs/dbraw/zinc/60/60/96/1048606096.db2.gz ZLHQJKNTDYVNSQ-ILXRZTDVSA-N 1 0 364.453 2.555 20 10 FFCDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)Cc1ccccc1 ZINC000829003975 1048616534 /nfs/dbraw/zinc/61/65/34/1048616534.db2.gz WFXWOGRAGXHQNI-WOJBJXKFSA-N 1 0 368.477 2.860 20 10 FFCDRO CC(C)(C)[NH2+]CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001329773714 1048903261 /nfs/dbraw/zinc/90/32/61/1048903261.db2.gz KTYPMGSULPGDPA-ZDUSSCGKSA-N 1 0 355.429 2.761 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1Cl ZINC001333945269 1049178407 /nfs/dbraw/zinc/17/84/07/1049178407.db2.gz NYIAHOPQHMLKEA-ZDUSSCGKSA-N 1 0 367.854 2.679 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C4CC4)s3)cc2)CC1 ZINC001330812657 1049340831 /nfs/dbraw/zinc/34/08/31/1049340831.db2.gz IPALMEOCOPBERO-UHFFFAOYSA-N 1 0 356.495 2.702 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC001331273270 1049542550 /nfs/dbraw/zinc/54/25/50/1049542550.db2.gz XDCRHSCAAYGAOT-HOTGVXAUSA-N 1 0 369.303 2.888 20 10 FFCDRO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC001341979601 1050575700 /nfs/dbraw/zinc/57/57/00/1050575700.db2.gz IVAFEPCWNQJMLO-AAMPLPPQSA-N 1 0 356.397 2.812 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cccn2C)[NH+](C)C)cc1 ZINC001340490996 1050888116 /nfs/dbraw/zinc/88/81/16/1050888116.db2.gz KKNWAMCNEVGXPF-IBGZPJMESA-N 1 0 357.502 2.535 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCC34CC[NH2+]CC4)C2)cc1 ZINC001340721049 1051081615 /nfs/dbraw/zinc/08/16/15/1051081615.db2.gz TXCNGGYKDDABSO-PXNSSMCTSA-N 1 0 371.525 2.950 20 10 FFCDRO O=C(NCCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCC1 ZINC000749113206 1051592044 /nfs/dbraw/zinc/59/20/44/1051592044.db2.gz AHBCLQCUGONBMJ-UHFFFAOYSA-N 1 0 374.485 2.981 20 10 FFCDRO COC(=O)C1(C2(O)CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)CCC1 ZINC001343332408 1052167280 /nfs/dbraw/zinc/16/72/80/1052167280.db2.gz CUSXQFLNRONGET-UHFFFAOYSA-N 1 0 364.461 2.562 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC001345079474 1052244356 /nfs/dbraw/zinc/24/43/56/1052244356.db2.gz XSIOHIGXVXKLSI-DLBZAZTESA-N 1 0 360.498 2.720 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1C ZINC001308380460 1052451955 /nfs/dbraw/zinc/45/19/55/1052451955.db2.gz WOCKTYVISBFTPJ-IAGOWNOFSA-N 1 0 354.516 2.591 20 10 FFCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001308434813 1052456377 /nfs/dbraw/zinc/45/63/77/1052456377.db2.gz ZDAIDVDKRWXNBF-UNMCSNQZSA-N 1 0 354.494 2.861 20 10 FFCDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001308590348 1052474369 /nfs/dbraw/zinc/47/43/69/1052474369.db2.gz TVDVGCLUVSNPMG-NSHDSACASA-N 1 0 354.859 2.886 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCC[NH2+]1 ZINC001346104707 1052750064 /nfs/dbraw/zinc/75/00/64/1052750064.db2.gz DXWVYMGFPAHTQZ-YOEHRIQHSA-N 1 0 367.440 2.905 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001346140915 1052765746 /nfs/dbraw/zinc/76/57/46/1052765746.db2.gz IDKILQBMQCXYSP-RBUKOAKNSA-N 1 0 362.518 2.646 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC001335400615 1053339752 /nfs/dbraw/zinc/33/97/52/1053339752.db2.gz RQXGRRYMTDYUGK-HUUCEWRRSA-N 1 0 358.408 2.564 20 10 FFCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001337070337 1054455206 /nfs/dbraw/zinc/45/52/06/1054455206.db2.gz NEUNIGHZZSWNDI-KRWDZBQOSA-N 1 0 352.482 2.932 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001337784374 1055016054 /nfs/dbraw/zinc/01/60/54/1055016054.db2.gz AYCJHMYFCKJHMF-OAHLLOKOSA-N 1 0 370.453 2.903 20 10 FFCDRO Cc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C2CC2)n1 ZINC001351906913 1055057308 /nfs/dbraw/zinc/05/73/08/1055057308.db2.gz ZMFVVGODUDZGQM-LJQANCHMSA-N 1 0 367.497 2.761 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847323309 1055496593 /nfs/dbraw/zinc/49/65/93/1055496593.db2.gz DUTBNFREOUHGQS-UXHICEINSA-N 1 0 354.498 2.879 20 10 FFCDRO COc1cccc([C@H](CNC(=O)NCc2ccc(N)cc2)[NH+]2CCCC2)c1 ZINC001356548773 1055573091 /nfs/dbraw/zinc/57/30/91/1055573091.db2.gz UAWSYJPBXTXETM-FQEVSTJZSA-N 1 0 368.481 2.914 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001350243257 1055689766 /nfs/dbraw/zinc/68/97/66/1055689766.db2.gz HJYRNOWPCLINOJ-INIZCTEOSA-N 1 0 368.472 2.917 20 10 FFCDRO CC(C)C[C@@](C)(C[NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001357368667 1055881130 /nfs/dbraw/zinc/88/11/30/1055881130.db2.gz QNBRNDZPUOGODL-NRFANRHFSA-N 1 0 361.530 2.523 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4O3)cc2F)CC1 ZINC001200161964 1055908720 /nfs/dbraw/zinc/90/87/20/1055908720.db2.gz UMOMTRJOGOSHRE-SFHVURJKSA-N 1 0 355.457 2.671 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC001357488279 1055922209 /nfs/dbraw/zinc/92/22/09/1055922209.db2.gz XNRQDPSRPIBDCA-HOJAQTOUSA-N 1 0 359.514 2.648 20 10 FFCDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001353195020 1056173808 /nfs/dbraw/zinc/17/38/08/1056173808.db2.gz CVDGCWJZZQVPII-YWZLYKJASA-N 1 0 354.450 2.697 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001544998933 1071721091 /nfs/dbraw/zinc/72/10/91/1071721091.db2.gz XVJMYHWBUFNJED-QAPCUYQASA-N 1 0 354.450 2.667 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(CS(C)(=O)=O)cc3)cc2)CC1 ZINC001200572660 1058635742 /nfs/dbraw/zinc/63/57/42/1058635742.db2.gz QLTHYVHHWNUSSG-UHFFFAOYSA-N 1 0 373.522 2.595 20 10 FFCDRO Cc1cc(CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)n1-c1ccccc1 ZINC001451750957 1059141606 /nfs/dbraw/zinc/14/16/06/1059141606.db2.gz WLYPIFSEFYANMU-MSOLQXFVSA-N 1 0 369.509 2.550 20 10 FFCDRO C[N@@H+]1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](c2ccccc2)C1 ZINC001452180200 1059194209 /nfs/dbraw/zinc/19/42/09/1059194209.db2.gz SWHCCSQEYBNMIH-AEFFLSMTSA-N 1 0 365.437 2.924 20 10 FFCDRO CCO[C@@H](CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C[NH+](C)C ZINC001455563131 1059821899 /nfs/dbraw/zinc/82/18/99/1059821899.db2.gz SBVQWBIFVGVZOL-IBGZPJMESA-N 1 0 373.497 2.799 20 10 FFCDRO COc1ccc2c(c1)[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000848393520 1059924950 /nfs/dbraw/zinc/92/49/50/1059924950.db2.gz FWEQFHMLXCDYAN-CTNGQTDRSA-N 1 0 367.493 2.997 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H](c2ccccc2)N(C)C)[NH+](C)C)cc1 ZINC001456927149 1060229052 /nfs/dbraw/zinc/22/90/52/1060229052.db2.gz ALHWDBKMCTZFMN-SFTDATJTSA-N 1 0 368.525 2.774 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)CC1 ZINC000848536040 1060239373 /nfs/dbraw/zinc/23/93/73/1060239373.db2.gz JRDPKQNBRWIIGU-UHFFFAOYSA-N 1 0 369.490 2.693 20 10 FFCDRO COc1c(C)ncnc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000848674845 1060438303 /nfs/dbraw/zinc/43/83/03/1060438303.db2.gz ZKEQJRWFFCYUCZ-UHFFFAOYSA-N 1 0 367.497 2.938 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)o1 ZINC000876665473 1061163149 /nfs/dbraw/zinc/16/31/49/1061163149.db2.gz BUBCARDIPSNEND-KRWDZBQOSA-N 1 0 356.470 2.719 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC001461633800 1061365343 /nfs/dbraw/zinc/36/53/43/1061365343.db2.gz RIQRVKAMSLRSCA-FQEVSTJZSA-N 1 0 371.477 2.730 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)Cc3cccc(Cl)c3)cc2)CC1 ZINC001461728083 1061390937 /nfs/dbraw/zinc/39/09/37/1061390937.db2.gz JVCFXILMFHAIRU-NRFANRHFSA-N 1 0 373.928 2.785 20 10 FFCDRO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC001462508790 1061651123 /nfs/dbraw/zinc/65/11/23/1061651123.db2.gz PRVLOSORVBGVFG-HXUWFJFHSA-N 1 0 365.470 2.889 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC001477823157 1061812398 /nfs/dbraw/zinc/81/23/98/1061812398.db2.gz HVSVHSVZCSFUFH-AZUAARDMSA-N 1 0 356.514 2.768 20 10 FFCDRO CO[C@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001478516267 1062036768 /nfs/dbraw/zinc/03/67/68/1062036768.db2.gz GOBYEBOVXFAHDE-OTWHNJEPSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1C ZINC001497274190 1063687301 /nfs/dbraw/zinc/68/73/01/1063687301.db2.gz WGTKSYPYHUGSPC-ZYSHUDEJSA-N 1 0 370.497 2.525 20 10 FFCDRO Cc1ccc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001467833079 1063863283 /nfs/dbraw/zinc/86/32/83/1063863283.db2.gz CJZFHLNSAHGHTQ-UHFFFAOYSA-N 1 0 358.511 2.808 20 10 FFCDRO C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC001468323324 1063966454 /nfs/dbraw/zinc/96/64/54/1063966454.db2.gz SMGNMOQHZIFQAV-QGZVFWFLSA-N 1 0 374.529 2.710 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(O)cc2)[NH+](C)C)cc1 ZINC001472280725 1064998761 /nfs/dbraw/zinc/99/87/61/1064998761.db2.gz LHPVDYGYVPLTAG-FZXOMJPYSA-N 1 0 353.466 2.891 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1OC ZINC001473910915 1065418237 /nfs/dbraw/zinc/41/82/37/1065418237.db2.gz HGUDQQHCRRHNJC-UHFFFAOYSA-N 1 0 373.472 2.885 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001474269918 1065481992 /nfs/dbraw/zinc/48/19/92/1065481992.db2.gz PSNWWNUKOJUMAQ-CYBMUJFWSA-N 1 0 354.219 2.987 20 10 FFCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001576385618 1078222750 /nfs/dbraw/zinc/22/27/50/1078222750.db2.gz ZXSSXSGGOXLRPF-KBPBESRZSA-N 1 0 350.426 2.644 20 10 FFCDRO CCc1nnc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1CCCSc1nccs1 ZINC001578308867 1078461827 /nfs/dbraw/zinc/46/18/27/1078461827.db2.gz SDYGFDUBNLEVBN-OLZOCXBDSA-N 1 0 366.560 2.653 20 10 FFCDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001579011976 1078562320 /nfs/dbraw/zinc/56/23/20/1078562320.db2.gz FQYZVGXSUXORRY-SFHVURJKSA-N 1 0 355.482 2.853 20 10 FFCDRO O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC001580484214 1078814320 /nfs/dbraw/zinc/81/43/20/1078814320.db2.gz GCNCIUUCQBZEDH-OAHLLOKOSA-N 1 0 350.365 2.759 20 10 FFCDRO CC(C)Oc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001583476039 1079220630 /nfs/dbraw/zinc/22/06/30/1079220630.db2.gz QZYBINMLNOMQBS-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC001583882968 1079278970 /nfs/dbraw/zinc/27/89/70/1079278970.db2.gz BOIGUQOZMZLXAL-UHFFFAOYSA-N 1 0 360.479 2.730 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc(Cl)cc1O)CCc1ccccc1 ZINC001560784933 1076299686 /nfs/dbraw/zinc/29/96/86/1076299686.db2.gz YULGOMXHOGEMDQ-UHFFFAOYSA-N 1 0 353.871 2.793 20 10 FFCDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001560930919 1076311287 /nfs/dbraw/zinc/31/12/87/1076311287.db2.gz SJDRGTANJNLFGI-CQSZACIVSA-N 1 0 374.412 2.846 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3(c4ccccc4)CC3)cc2)CC1 ZINC001565271344 1076707472 /nfs/dbraw/zinc/70/74/72/1076707472.db2.gz PUBJLPIGHSKCHR-UHFFFAOYSA-N 1 0 364.493 2.927 20 10 FFCDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccccc1 ZINC000366627136 512114511 /nfs/dbraw/zinc/11/45/11/512114511.db2.gz LUUMNNFGTPITPT-AWEZNQCLSA-N 1 0 354.406 2.606 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000056382324 506999452 /nfs/dbraw/zinc/99/94/52/506999452.db2.gz SRWNCEREYDQQNA-UHFFFAOYSA-N 1 0 372.513 2.544 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1cccs1)cc2=O ZINC000052283225 507805264 /nfs/dbraw/zinc/80/52/64/507805264.db2.gz NISSPXBRTVEXEL-LLVKDONJSA-N 1 0 360.439 2.866 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(O)c1 ZINC000092011712 508033148 /nfs/dbraw/zinc/03/31/48/508033148.db2.gz YTEGJCPJWAKSSH-APWZRJJASA-N 1 0 359.470 2.860 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000092977363 508111769 /nfs/dbraw/zinc/11/17/69/508111769.db2.gz DTDCELJRLCCXPF-UHFFFAOYSA-N 1 0 367.497 2.863 20 10 FFCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093813518 508156190 /nfs/dbraw/zinc/15/61/90/508156190.db2.gz WINYNJGVOJOLDI-HNNXBMFYSA-N 1 0 358.232 2.548 20 10 FFCDRO C[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101629744 508251158 /nfs/dbraw/zinc/25/11/58/508251158.db2.gz ADKPMRQTEHTFGZ-KURKYZTESA-N 1 0 359.514 2.743 20 10 FFCDRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1c(O)cccc1Cl ZINC000113319278 508260735 /nfs/dbraw/zinc/26/07/35/508260735.db2.gz WHMLTCLXTXAGJE-UHFFFAOYSA-N 1 0 354.859 2.586 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2F)CC1 ZINC000106702453 508403730 /nfs/dbraw/zinc/40/37/30/508403730.db2.gz SAYOMYLGVMVZGM-KRWDZBQOSA-N 1 0 363.477 2.543 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3ccncc3)CC2)cc1 ZINC000156410967 508416376 /nfs/dbraw/zinc/41/63/76/508416376.db2.gz XGYRZJKTCJODLT-GOSISDBHSA-N 1 0 354.498 2.953 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1OC ZINC000367226566 512396141 /nfs/dbraw/zinc/39/61/41/512396141.db2.gz NLOFHGSZMLAHDV-MRXNPFEDSA-N 1 0 351.443 2.569 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000156641612 508455012 /nfs/dbraw/zinc/45/50/12/508455012.db2.gz VJHUURDLDIHIHE-KRWDZBQOSA-N 1 0 372.440 2.808 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000152527828 508463882 /nfs/dbraw/zinc/46/38/82/508463882.db2.gz HKJJABSPLJSMFU-OXQOHEQNSA-N 1 0 374.456 2.753 20 10 FFCDRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127602313 508474934 /nfs/dbraw/zinc/47/49/34/508474934.db2.gz HJXMWHQCVZHQME-SHACYNPGSA-N 1 0 356.507 2.860 20 10 FFCDRO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000128043790 508539317 /nfs/dbraw/zinc/53/93/17/508539317.db2.gz BDLHQASJKQEKHA-LJQANCHMSA-N 1 0 361.511 2.683 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000159542751 508856137 /nfs/dbraw/zinc/85/61/37/508856137.db2.gz DQDDEAFBKOTHNO-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000152009264 509128724 /nfs/dbraw/zinc/12/87/24/509128724.db2.gz TXKLTKVNSABJNX-QGZVFWFLSA-N 1 0 358.530 2.538 20 10 FFCDRO CCCOc1ccc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c(O)c1 ZINC000121226747 509153433 /nfs/dbraw/zinc/15/34/33/509153433.db2.gz HMHNCBCQUIUJSV-UHFFFAOYSA-N 1 0 372.513 2.974 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000185685375 509303584 /nfs/dbraw/zinc/30/35/84/509303584.db2.gz GBZSBSCLIDUYEI-LLVKDONJSA-N 1 0 366.405 2.665 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000165412725 509571100 /nfs/dbraw/zinc/57/11/00/509571100.db2.gz DHXRKBIYRXGGQP-QRWLVFNGSA-N 1 0 371.456 2.615 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnc(C)s3)CC2)cc1 ZINC000237273197 509608035 /nfs/dbraw/zinc/60/80/35/509608035.db2.gz WZEGCZASENUMRE-UHFFFAOYSA-N 1 0 360.527 2.762 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)c1 ZINC000186376772 509677477 /nfs/dbraw/zinc/67/74/77/509677477.db2.gz ZLDFXVBOQUFYNH-HNNXBMFYSA-N 1 0 354.516 2.801 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000267964425 509690751 /nfs/dbraw/zinc/69/07/51/509690751.db2.gz UDSLCJGKJUTWSX-SFHVURJKSA-N 1 0 367.559 2.635 20 10 FFCDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000186449442 509714587 /nfs/dbraw/zinc/71/45/87/509714587.db2.gz OGJHGHWFTFLSCR-GOEBONIOSA-N 1 0 365.449 2.544 20 10 FFCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000183378677 509749214 /nfs/dbraw/zinc/74/92/14/509749214.db2.gz DHXGDZMYQYBORC-CYBMUJFWSA-N 1 0 355.276 2.811 20 10 FFCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000237943515 509781861 /nfs/dbraw/zinc/78/18/61/509781861.db2.gz GDEACJVVTGGDLL-GOSISDBHSA-N 1 0 355.457 2.979 20 10 FFCDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180401068 509906463 /nfs/dbraw/zinc/90/64/63/509906463.db2.gz CKHASYRICCWEHQ-UHFFFAOYSA-N 1 0 366.458 2.852 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000268844381 510095785 /nfs/dbraw/zinc/09/57/85/510095785.db2.gz BGYZWMKTRXAZAY-YLJYHZDGSA-N 1 0 358.530 2.667 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000184076313 510118906 /nfs/dbraw/zinc/11/89/06/510118906.db2.gz FWUTYHRKEHWPHX-QGZVFWFLSA-N 1 0 368.525 2.850 20 10 FFCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000265812761 510243058 /nfs/dbraw/zinc/24/30/58/510243058.db2.gz UQBLBABRAQMDKT-UHFFFAOYSA-N 1 0 364.442 2.952 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000177856155 510290836 /nfs/dbraw/zinc/29/08/36/510290836.db2.gz CKFYABZPLDGUBF-HNNXBMFYSA-N 1 0 353.532 2.607 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269206048 510291142 /nfs/dbraw/zinc/29/11/42/510291142.db2.gz MDDZWJWKWIXMTK-FPYGCLRLSA-N 1 0 363.461 2.821 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c1 ZINC000184964710 510606171 /nfs/dbraw/zinc/60/61/71/510606171.db2.gz DYVDLNKMJQGUTC-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000263691698 510793612 /nfs/dbraw/zinc/79/36/12/510793612.db2.gz PXCSOGIRFZEPGV-KURKYZTESA-N 1 0 373.541 2.773 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000182214315 510817198 /nfs/dbraw/zinc/81/71/98/510817198.db2.gz GJXNNTVJVVRMNP-UHFFFAOYSA-N 1 0 354.406 2.567 20 10 FFCDRO COc1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)ccc1OCC(N)=O ZINC000285353506 510873412 /nfs/dbraw/zinc/87/34/12/510873412.db2.gz VHSZMCUTUNKDCU-CQSZACIVSA-N 1 0 358.438 2.733 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000275342799 510876728 /nfs/dbraw/zinc/87/67/28/510876728.db2.gz PCNPGMCYIHTJHJ-SNVBAGLBSA-N 1 0 350.278 2.548 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)c1O ZINC000275495611 510901814 /nfs/dbraw/zinc/90/18/14/510901814.db2.gz JFKGZRDXHADPTR-WMLDXEAASA-N 1 0 351.834 2.798 20 10 FFCDRO CC(C)[NH+]1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000277363603 510961844 /nfs/dbraw/zinc/96/18/44/510961844.db2.gz MLAWKNRXXQTTFW-UHFFFAOYSA-N 1 0 365.861 2.683 20 10 FFCDRO Cc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000277369976 510962345 /nfs/dbraw/zinc/96/23/45/510962345.db2.gz CFAHOWQMUNLHOS-QGZVFWFLSA-N 1 0 370.497 2.720 20 10 FFCDRO OC[C@]1([NH2+]Cc2cc(Br)ccc2O)CCOc2ccccc21 ZINC000282471373 510990734 /nfs/dbraw/zinc/99/07/34/510990734.db2.gz URIJHRYVZSVDEF-QGZVFWFLSA-N 1 0 364.239 2.915 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278513782 510995086 /nfs/dbraw/zinc/99/50/86/510995086.db2.gz QGDJTDOWQDANNC-CJNGLKHVSA-N 1 0 360.410 2.953 20 10 FFCDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000278545862 510998285 /nfs/dbraw/zinc/99/82/85/510998285.db2.gz YHICZMHPWFSDBD-AWEZNQCLSA-N 1 0 365.275 2.647 20 10 FFCDRO COCCOCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000289772734 511114706 /nfs/dbraw/zinc/11/47/06/511114706.db2.gz PLDGONMROOJZLG-UHFFFAOYSA-N 1 0 370.493 2.976 20 10 FFCDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289947027 511121646 /nfs/dbraw/zinc/12/16/46/511121646.db2.gz VTWOWTSGCUOROQ-IBGZPJMESA-N 1 0 361.530 2.991 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000362642260 511208740 /nfs/dbraw/zinc/20/87/40/511208740.db2.gz RYYFXRKRIRKAMS-BBRMVZONSA-N 1 0 372.259 2.591 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]1SC ZINC000298444303 511287536 /nfs/dbraw/zinc/28/75/36/511287536.db2.gz NQDULMQQSJQYIB-UHOSZYNNSA-N 1 0 368.518 2.785 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccc(F)c(C)c1)cc2=O ZINC000271796706 511326856 /nfs/dbraw/zinc/32/68/56/511326856.db2.gz OJKCJDNYOHXELE-GFCCVEGCSA-N 1 0 372.400 2.910 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@H]1SC ZINC000298596193 511342244 /nfs/dbraw/zinc/34/22/44/511342244.db2.gz YSUQOUVHJZDCBO-XUVXKRRUSA-N 1 0 364.555 2.894 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](N4CCOCC4)C[C@H]3C)cc2)CC1 ZINC000295368602 511380324 /nfs/dbraw/zinc/38/03/24/511380324.db2.gz SEZBMRYQCFSNMF-WIYYLYMNSA-N 1 0 373.541 2.597 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(Cl)cn3)CC2)cc1 ZINC000301490908 511697093 /nfs/dbraw/zinc/69/70/93/511697093.db2.gz MVJLUWMXADPVNO-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000281217795 511763034 /nfs/dbraw/zinc/76/30/34/511763034.db2.gz TVNDHZDMXHYYFG-RDJZCZTQSA-N 1 0 363.477 2.571 20 10 FFCDRO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(C)cc1O ZINC000366443135 512026749 /nfs/dbraw/zinc/02/67/49/512026749.db2.gz FPSYUADFDJADQA-IEBWSBKVSA-N 1 0 350.528 2.949 20 10 FFCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000297120862 512027761 /nfs/dbraw/zinc/02/77/61/512027761.db2.gz YNEPZUWGTCYHMZ-MSOLQXFVSA-N 1 0 351.450 2.941 20 10 FFCDRO CO[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444278341 514177062 /nfs/dbraw/zinc/17/70/62/514177062.db2.gz TYUJUZMQHGGKEJ-MRXNPFEDSA-N 1 0 355.482 2.655 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000471590177 514944377 /nfs/dbraw/zinc/94/43/77/514944377.db2.gz UXWOCYTUFIZHME-IYBDPMFKSA-N 1 0 372.513 2.785 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ncon2)C1 ZINC000515762296 517467775 /nfs/dbraw/zinc/46/77/75/517467775.db2.gz BZHWRCFJAXFINA-AWEZNQCLSA-N 1 0 367.453 2.668 20 10 FFCDRO CCOc1cccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1O ZINC000825648961 607704230 /nfs/dbraw/zinc/70/42/30/607704230.db2.gz ICJSDHSWAMIQKB-UHFFFAOYSA-N 1 0 351.410 2.750 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)CC2)cc1 ZINC000154145342 728797364 /nfs/dbraw/zinc/79/73/64/728797364.db2.gz CNTFRMZCYJBMJY-RTBURBONSA-N 1 0 366.527 2.609 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000154674582 728809614 /nfs/dbraw/zinc/80/96/14/728809614.db2.gz XLJLPVMYDXGGAK-CQSZACIVSA-N 1 0 356.561 2.999 20 10 FFCDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000154815724 728812841 /nfs/dbraw/zinc/81/28/41/728812841.db2.gz MBIWEGQABZXJGO-ZDUSSCGKSA-N 1 0 367.287 2.893 20 10 FFCDRO C[C@]1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCNC1=O ZINC000897868656 735287440 /nfs/dbraw/zinc/28/74/40/735287440.db2.gz KWRPDOOXAWXEIO-KRWDZBQOSA-N 1 0 366.303 2.808 20 10 FFCDRO COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(C)cc(OC)c1O)CCO2 ZINC000897998888 735301865 /nfs/dbraw/zinc/30/18/65/735301865.db2.gz ZGHUKKISOHRVOP-RTBURBONSA-N 1 0 351.443 2.501 20 10 FFCDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000898398106 735355036 /nfs/dbraw/zinc/35/50/36/735355036.db2.gz CBZIBZVTWLEFPC-HSZRJFAPSA-N 1 0 359.923 2.832 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCOC3CCSCC3)cc2)CC1 ZINC000898433954 735360785 /nfs/dbraw/zinc/36/07/85/735360785.db2.gz FIZRKZYSBZOCRZ-UHFFFAOYSA-N 1 0 350.528 2.650 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)[C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000899105708 735448313 /nfs/dbraw/zinc/44/83/13/735448313.db2.gz YTPHFVSWAWDKHF-SJORKVTESA-N 1 0 350.532 2.502 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C/c3csc([N+](=O)[O-])c3)SC2=S)CC1 ZINC000063823862 728138484 /nfs/dbraw/zinc/13/84/84/728138484.db2.gz GSWVTUHKZFGPCE-WDZFZDKYSA-N 1 0 369.493 2.952 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1F ZINC000066978551 728179669 /nfs/dbraw/zinc/17/96/69/728179669.db2.gz MFVUKLLFIVHPDB-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000125825844 728688442 /nfs/dbraw/zinc/68/84/42/728688442.db2.gz RHMPXIBPNKFHMG-MFKMUULPSA-N 1 0 372.259 2.985 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1Br ZINC000127082177 728705416 /nfs/dbraw/zinc/70/54/16/728705416.db2.gz XPNSMYBKUCNAST-ZDUSSCGKSA-N 1 0 362.271 2.948 20 10 FFCDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCSc1nccs1 ZINC000173561414 729050403 /nfs/dbraw/zinc/05/04/03/729050403.db2.gz LROPYERRVRRZBD-CQSZACIVSA-N 1 0 357.545 2.535 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1C ZINC000180558797 729218729 /nfs/dbraw/zinc/21/87/29/729218729.db2.gz IGECKWRCOFYTGN-SFHVURJKSA-N 1 0 366.527 2.835 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000182495243 729280094 /nfs/dbraw/zinc/28/00/94/729280094.db2.gz AJOOHEFDWYRDQC-QZTJIDSGSA-N 1 0 368.568 2.685 20 10 FFCDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185256601 729345334 /nfs/dbraw/zinc/34/53/34/729345334.db2.gz LMSLZALMWRIMLJ-CQSZACIVSA-N 1 0 366.527 2.593 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)ccc1OC ZINC000186576554 729366770 /nfs/dbraw/zinc/36/67/70/729366770.db2.gz HMWUJDDGUVWTPC-AZUAARDMSA-N 1 0 351.487 2.887 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000187792870 729381248 /nfs/dbraw/zinc/38/12/48/729381248.db2.gz CSZYSJVGGBBMHW-IBGZPJMESA-N 1 0 350.528 2.771 20 10 FFCDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000237588750 729561965 /nfs/dbraw/zinc/56/19/65/729561965.db2.gz IIPOBKXEXOQDRJ-UHFFFAOYSA-N 1 0 350.260 2.935 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1O ZINC000779050255 738432037 /nfs/dbraw/zinc/43/20/37/738432037.db2.gz NPDNQSHLWIGHRN-NHYWBVRUSA-N 1 0 358.276 2.901 20 10 FFCDRO COCCOc1ccc(C[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000858098669 730416517 /nfs/dbraw/zinc/41/65/17/730416517.db2.gz CPJGQNJERXEUSS-UHFFFAOYSA-N 1 0 367.243 2.865 20 10 FFCDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858175971 730418772 /nfs/dbraw/zinc/41/87/72/730418772.db2.gz YSEZGNWYHCDTEN-NSHDSACASA-N 1 0 364.243 2.975 20 10 FFCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Br)C1(O)CCOCC1 ZINC000858179619 730418934 /nfs/dbraw/zinc/41/89/34/730418934.db2.gz QIKKEGCOEJFOPJ-UHFFFAOYSA-N 1 0 358.276 2.812 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)ccc1O ZINC000858603949 730429702 /nfs/dbraw/zinc/42/97/02/730429702.db2.gz YIJCFMPQAJOFBO-HZMBPMFUSA-N 1 0 353.260 2.959 20 10 FFCDRO O=C(NCCCSc1nccs1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000859758182 730465127 /nfs/dbraw/zinc/46/51/27/730465127.db2.gz SIOQYNNMTTVTSR-UHFFFAOYSA-N 1 0 364.496 2.929 20 10 FFCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1F ZINC000862221905 730677844 /nfs/dbraw/zinc/67/78/44/730677844.db2.gz JSOLIYLENGSBHH-AWEZNQCLSA-N 1 0 351.441 2.769 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000862406979 730698289 /nfs/dbraw/zinc/69/82/89/730698289.db2.gz SXKSYGMGYBQVEC-AWEZNQCLSA-N 1 0 369.303 2.841 20 10 FFCDRO COC(=O)[C@@]1(OC)CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000862475142 730704171 /nfs/dbraw/zinc/70/41/71/730704171.db2.gz AJYWBXFGQHIUTK-MRXNPFEDSA-N 1 0 360.376 2.535 20 10 FFCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000863652001 730799028 /nfs/dbraw/zinc/79/90/28/730799028.db2.gz NUDOKTHMUIYLRS-HNNXBMFYSA-N 1 0 369.849 2.544 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1cc(F)ccc1O ZINC000866492483 731066542 /nfs/dbraw/zinc/06/65/42/731066542.db2.gz HPVSOYXHAHEATJ-PJODQICGSA-N 1 0 354.422 2.552 20 10 FFCDRO COc1ccc(C[NH2+]CCN(C)CC(F)(F)F)cc1Cn1cccn1 ZINC000873051683 731868397 /nfs/dbraw/zinc/86/83/97/731868397.db2.gz MUUBUFYEJRYNSK-UHFFFAOYSA-N 1 0 356.392 2.524 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000876992712 732308786 /nfs/dbraw/zinc/30/87/86/732308786.db2.gz IDZAPUFQHFANET-UHFFFAOYSA-N 1 0 360.479 2.775 20 10 FFCDRO O=C1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCCN1 ZINC000876998666 732309841 /nfs/dbraw/zinc/30/98/41/732309841.db2.gz LTTFHGBLAYNYNI-AWEZNQCLSA-N 1 0 353.413 2.515 20 10 FFCDRO CC[C@](C)(C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000877345842 732347205 /nfs/dbraw/zinc/34/72/05/732347205.db2.gz KYIQGHMICVJMEK-LJQANCHMSA-N 1 0 352.475 2.650 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000877575539 732391245 /nfs/dbraw/zinc/39/12/45/732391245.db2.gz XJYVKUYFYYLNGW-OAHLLOKOSA-N 1 0 350.459 2.816 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@]34OCCC[C@H]3C4(F)F)cc2)CC1 ZINC000877630314 732401818 /nfs/dbraw/zinc/40/18/18/732401818.db2.gz HBRRVLMGYOVPLG-MSOLQXFVSA-N 1 0 352.425 2.552 20 10 FFCDRO Cc1ccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c(O)c1 ZINC000877653579 732406642 /nfs/dbraw/zinc/40/66/42/732406642.db2.gz NUGYMLCGIIXZFD-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO Cc1cc(Br)c(O)c(CNc2cnn(CC[NH+](C)C)c2)c1 ZINC000781632470 738643029 /nfs/dbraw/zinc/64/30/29/738643029.db2.gz XDCAUMWHALPURS-UHFFFAOYSA-N 1 0 353.264 2.833 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)c(F)cc1[O-] ZINC000926946978 738671787 /nfs/dbraw/zinc/67/17/87/738671787.db2.gz HQUQAKMSVDJPPV-BYYOYISRSA-N 1 0 360.223 2.748 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)cc(F)c1[O-] ZINC000926947524 738671809 /nfs/dbraw/zinc/67/18/09/738671809.db2.gz KENSLBJWCLSGGL-FTBFGRRBSA-N 1 0 360.223 2.748 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CCC([N@H+](C)CCCO)CC2)c1 ZINC000781913393 738672082 /nfs/dbraw/zinc/67/20/82/738672082.db2.gz TXENAIMXFCUWGR-UHFFFAOYSA-N 1 0 371.319 2.742 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c4c(nn3C)CCSC4)C2)cc1 ZINC000883165283 733345024 /nfs/dbraw/zinc/34/50/24/733345024.db2.gz BALUFCQRDDNVFQ-AWEZNQCLSA-N 1 0 358.511 2.587 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(F)(F)F)ccn2)cc1 ZINC000884009890 733468780 /nfs/dbraw/zinc/46/87/80/733468780.db2.gz LCBVWWXBBXCGAM-AWEZNQCLSA-N 1 0 352.360 2.596 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000886668170 733814469 /nfs/dbraw/zinc/81/44/69/733814469.db2.gz OCXMJGZGUSQNHN-ZOBUZTSGSA-N 1 0 368.905 2.757 20 10 FFCDRO CN(Cc1cccs1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889674097 734206680 /nfs/dbraw/zinc/20/66/80/734206680.db2.gz YIZUVCASLQOAOW-UHFFFAOYSA-N 1 0 358.511 2.842 20 10 FFCDRO Cc1cccc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c1O ZINC000700311800 734354570 /nfs/dbraw/zinc/35/45/70/734354570.db2.gz WJMUMYUALZOKAL-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000725849722 734396309 /nfs/dbraw/zinc/39/63/09/734396309.db2.gz WASKPSRMZFUIPH-GOSISDBHSA-N 1 0 360.479 2.573 20 10 FFCDRO CCc1cnc(N2CCN(Cc3ccc(OC)c(OC)c3O)CC2)s1 ZINC000892033839 734508798 /nfs/dbraw/zinc/50/87/98/734508798.db2.gz IPFPULQGOKJRDW-UHFFFAOYSA-N 1 0 363.483 2.751 20 10 FFCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892622424 734581541 /nfs/dbraw/zinc/58/15/41/734581541.db2.gz OYJIGFKMADXVJC-OAGGEKHMSA-N 1 0 354.466 2.580 20 10 FFCDRO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1O ZINC000732202957 734723494 /nfs/dbraw/zinc/72/34/94/734723494.db2.gz KEXPAFIDLTWYCJ-UHFFFAOYSA-N 1 0 374.238 2.795 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000733329526 734809566 /nfs/dbraw/zinc/80/95/66/734809566.db2.gz UVENNSIZDARGHM-INIZCTEOSA-N 1 0 369.303 2.888 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cn3ccnc3s2)cc(F)c1N1CCOCC1 ZINC000894842738 734926089 /nfs/dbraw/zinc/92/60/89/734926089.db2.gz CVAUIPXTXMGHSW-UHFFFAOYSA-N 1 0 364.421 2.800 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCC[C@H]2CC2(F)F)[NH+](C)C)cc1 ZINC000895923781 735074051 /nfs/dbraw/zinc/07/40/51/735074051.db2.gz XZTKCEMFRLOMBM-HOCLYGCPSA-N 1 0 354.445 2.700 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896568468 735175097 /nfs/dbraw/zinc/17/50/97/735175097.db2.gz NFWWOTCEILSYGP-WBVHZDCISA-N 1 0 360.527 2.520 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)c1 ZINC000897539569 735244474 /nfs/dbraw/zinc/24/44/74/735244474.db2.gz IWTVPXZANGPQIN-UHFFFAOYSA-N 1 0 359.413 2.693 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1cc(F)ccc1O ZINC000903424096 736090830 /nfs/dbraw/zinc/09/08/30/736090830.db2.gz MBYFMBKCVRWCCB-GFCCVEGCSA-N 1 0 352.431 2.778 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)c1O ZINC000903424329 736091530 /nfs/dbraw/zinc/09/15/30/736091530.db2.gz RJVDKXXNQWMANE-ZDUSSCGKSA-N 1 0 364.467 2.647 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(N(C)C)cc1 ZINC000903434187 736094009 /nfs/dbraw/zinc/09/40/09/736094009.db2.gz JVTFYFJQEWHHQH-GXTWGEPZSA-N 1 0 361.877 2.831 20 10 FFCDRO Cc1cc(Br)cc(CN2CCc3sc(C[NH3+])nc3C2)c1O ZINC000903942961 736193002 /nfs/dbraw/zinc/19/30/02/736193002.db2.gz YYNZKJBCZGJOQG-UHFFFAOYSA-N 1 0 368.300 2.937 20 10 FFCDRO Cc1cc(Br)cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903972906 736196866 /nfs/dbraw/zinc/19/68/66/736196866.db2.gz MDOLQPAESDMBNS-HNNXBMFYSA-N 1 0 369.303 2.711 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756397196 736327734 /nfs/dbraw/zinc/32/77/34/736327734.db2.gz OYRDBYQXSRFJDD-NHYWBVRUSA-N 1 0 364.442 2.559 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000756779223 736361114 /nfs/dbraw/zinc/36/11/14/736361114.db2.gz RMGIJFZXJCORHS-GFCCVEGCSA-N 1 0 351.397 2.857 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000757706275 736421357 /nfs/dbraw/zinc/42/13/57/736421357.db2.gz VWDXGNHORHBHRP-SWLSCSKDSA-N 1 0 370.490 2.731 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000758506144 736495758 /nfs/dbraw/zinc/49/57/58/736495758.db2.gz MKGOTHMIPWVYKM-UHFFFAOYSA-N 1 0 369.870 2.756 20 10 FFCDRO CS[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1[NH+](C)C ZINC000760210638 736621847 /nfs/dbraw/zinc/62/18/47/736621847.db2.gz YEKFHNZNSWMDPT-IRXDYDNUSA-N 1 0 358.511 2.607 20 10 FFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000761451858 736736490 /nfs/dbraw/zinc/73/64/90/736736490.db2.gz NZZNKCOGCGARDO-ZDUSSCGKSA-N 1 0 365.524 2.537 20 10 FFCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CCOC1 ZINC000763571087 736948661 /nfs/dbraw/zinc/94/86/61/736948661.db2.gz HKACYZLVHMLCPT-KBXCAEBGSA-N 1 0 354.878 2.633 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cccc(Br)c1O ZINC000764781752 737049032 /nfs/dbraw/zinc/04/90/32/737049032.db2.gz XZMKKZLUWAPNFT-LLVKDONJSA-N 1 0 358.280 2.684 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000765406953 737115607 /nfs/dbraw/zinc/11/56/07/737115607.db2.gz BPNUEXPBPAQJOH-INIZCTEOSA-N 1 0 361.511 2.772 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)CC1 ZINC000765976810 737179535 /nfs/dbraw/zinc/17/95/35/737179535.db2.gz AKOORVFZDMVGOK-HXUWFJFHSA-N 1 0 356.491 2.699 20 10 FFCDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000766308468 737217514 /nfs/dbraw/zinc/21/75/14/737217514.db2.gz NNUWWOHGCZGJNH-CQSZACIVSA-N 1 0 363.893 2.681 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000768235635 737408126 /nfs/dbraw/zinc/40/81/26/737408126.db2.gz BOWSKMMRMXCVJT-UHFFFAOYSA-N 1 0 356.451 2.728 20 10 FFCDRO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768341342 737414996 /nfs/dbraw/zinc/41/49/96/737414996.db2.gz HCFZCLWWEAKQFZ-SFHVURJKSA-N 1 0 360.479 2.573 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000769289237 737514454 /nfs/dbraw/zinc/51/44/54/737514454.db2.gz BCNQSQRNERTEIJ-AWEZNQCLSA-N 1 0 355.276 2.988 20 10 FFCDRO O[C@H]([C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000769381698 737522351 /nfs/dbraw/zinc/52/23/51/737522351.db2.gz QHJPQHBFIAYMSN-HZPDHXFCSA-N 1 0 362.367 2.550 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)cc1F ZINC000770676935 737651519 /nfs/dbraw/zinc/65/15/19/737651519.db2.gz RSGHLNXDQKVMGT-LJQANCHMSA-N 1 0 352.450 2.874 20 10 FFCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000917014323 737736349 /nfs/dbraw/zinc/73/63/49/737736349.db2.gz SJINVAFWRVQCGV-PMACEKPBSA-N 1 0 350.503 2.520 20 10 FFCDRO CC[C@H]([NH2+][C@@H](CCSC)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000773051654 737866277 /nfs/dbraw/zinc/86/62/77/737866277.db2.gz LZSOXCSLDGRWSW-IRXDYDNUSA-N 1 0 353.532 2.935 20 10 FFCDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000921738258 738035494 /nfs/dbraw/zinc/03/54/94/738035494.db2.gz PLBFRFSHNIFSEB-WMZOPIPTSA-N 1 0 368.568 2.685 20 10 FFCDRO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000775486743 738096426 /nfs/dbraw/zinc/09/64/26/738096426.db2.gz GRTWOTCWSNSETE-INIZCTEOSA-N 1 0 368.886 2.976 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCCOC)cc1F ZINC000776812388 738235654 /nfs/dbraw/zinc/23/56/54/738235654.db2.gz ILFQPHJJRGSXOC-MJGOQNOKSA-N 1 0 354.466 2.582 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c[nH+]cn2c1 ZINC000785879305 739007067 /nfs/dbraw/zinc/00/70/67/739007067.db2.gz CXIDFJQFSIHZKV-UHFFFAOYSA-N 1 0 352.463 2.818 20 10 FFCDRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000788675214 739271188 /nfs/dbraw/zinc/27/11/88/739271188.db2.gz MVXMVEDFAQWMIA-HNNXBMFYSA-N 1 0 361.511 2.854 20 10 FFCDRO CC1(NC(=S)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000789295740 739334464 /nfs/dbraw/zinc/33/44/64/739334464.db2.gz YCYYELGOCXPRIW-UHFFFAOYSA-N 1 0 358.555 2.735 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000933085872 739569031 /nfs/dbraw/zinc/56/90/31/739569031.db2.gz HCZFICCEBHQOCZ-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc(Br)ccc1O ZINC000795155715 739976224 /nfs/dbraw/zinc/97/62/24/739976224.db2.gz PHZKNTFOIDGOBM-CYBMUJFWSA-N 1 0 372.332 2.603 20 10 FFCDRO CCOCc1cc(C[NH2+]CC2CCN(C(=O)OC)CC2)ccc1OC ZINC000796508382 740148779 /nfs/dbraw/zinc/14/87/79/740148779.db2.gz AOJRURXKBAANQS-UHFFFAOYSA-N 1 0 350.459 2.800 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC000796516767 740149576 /nfs/dbraw/zinc/14/95/76/740149576.db2.gz NLWMQPQSHRKTRG-QGZVFWFLSA-N 1 0 359.436 2.886 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c2c1c(F)ccc2O ZINC000797115039 740213356 /nfs/dbraw/zinc/21/33/56/740213356.db2.gz YAFQSOJQAHOQBF-MPKXVKKWSA-N 1 0 362.367 2.932 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000798964535 740377805 /nfs/dbraw/zinc/37/78/05/740377805.db2.gz RKUNCEUHXYOWMT-LJQANCHMSA-N 1 0 351.443 2.583 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000799159621 740394529 /nfs/dbraw/zinc/39/45/29/740394529.db2.gz JSGNPSPEZPLVQR-LJQANCHMSA-N 1 0 351.443 2.501 20 10 FFCDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O ZINC000799725841 740445639 /nfs/dbraw/zinc/44/56/39/740445639.db2.gz KBJBQLPVQBGHOI-HNNXBMFYSA-N 1 0 370.421 2.690 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1cc(Cl)ccc1O)CCc1ccccc1 ZINC000800311832 740511017 /nfs/dbraw/zinc/51/10/17/740511017.db2.gz RVRIKEVRRBGRIP-UHFFFAOYSA-N 1 0 353.871 2.793 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000800899341 740562264 /nfs/dbraw/zinc/56/22/64/740562264.db2.gz KVNBXLGECHLZQF-INIZCTEOSA-N 1 0 360.841 2.815 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC[C@@H]1CCCO1 ZINC000805011944 740925655 /nfs/dbraw/zinc/92/56/55/740925655.db2.gz YVHOYTVXRQMKTF-CVEARBPZSA-N 1 0 368.861 2.915 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000806183586 741046022 /nfs/dbraw/zinc/04/60/22/741046022.db2.gz VFBAOEACVMXSEL-CVEARBPZSA-N 1 0 360.479 2.814 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1O ZINC000808688550 741252142 /nfs/dbraw/zinc/25/21/42/741252142.db2.gz UAHKNKOTJOJJTR-GFCCVEGCSA-N 1 0 360.907 2.676 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000809700777 741333721 /nfs/dbraw/zinc/33/37/21/741333721.db2.gz NZJPYPDGTPLMDN-UKRRQHHQSA-N 1 0 369.303 2.758 20 10 FFCDRO C[NH+](C)CCN(Cc1cc(Br)ccc1O)C[C@@H]1CCCO1 ZINC000809737271 741338568 /nfs/dbraw/zinc/33/85/68/741338568.db2.gz DREBILDOFHIJIZ-HNNXBMFYSA-N 1 0 357.292 2.697 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1O ZINC000809793328 741344733 /nfs/dbraw/zinc/34/47/33/741344733.db2.gz CPFHZJLOHOMOKN-UHFFFAOYSA-N 1 0 358.829 2.984 20 10 FFCDRO COCC[C@@H](COC)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000810174563 741394819 /nfs/dbraw/zinc/39/48/19/741394819.db2.gz VXDYYLCUCGRXHC-INIZCTEOSA-N 1 0 351.447 2.726 20 10 FFCDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1N(C)C ZINC000815012742 741881807 /nfs/dbraw/zinc/88/18/07/741881807.db2.gz LMTBWWUIXVSZBR-HNNXBMFYSA-N 1 0 361.511 2.901 20 10 FFCDRO CCN(C1CC[NH+](Cc2ccc3ccccc3c2O)CC1)S(C)(=O)=O ZINC000816508422 742036550 /nfs/dbraw/zinc/03/65/50/742036550.db2.gz LZYCXXDEFPZCIT-UHFFFAOYSA-N 1 0 362.495 2.791 20 10 FFCDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c(C)n1-c1cccc(Cl)c1 ZINC000818012218 742229688 /nfs/dbraw/zinc/22/96/88/742229688.db2.gz KXVDDVYZUUBGDR-KRWDZBQOSA-N 1 0 361.873 2.937 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncc(CN(C)C)s3)C2)cc1 ZINC000818222533 742251100 /nfs/dbraw/zinc/25/11/00/742251100.db2.gz UPVBPTXNMJHUGF-HNNXBMFYSA-N 1 0 360.527 2.829 20 10 FFCDRO O=S(=O)(CC[NH2+]CCCSc1nccs1)c1ccc(F)cc1 ZINC000819063662 742332664 /nfs/dbraw/zinc/33/26/64/742332664.db2.gz PEDBAOGWPMJTCS-UHFFFAOYSA-N 1 0 360.501 2.828 20 10 FFCDRO CC(C)OC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120045 742339763 /nfs/dbraw/zinc/33/97/63/742339763.db2.gz IQYRWBBWDARREF-HOCLYGCPSA-N 1 0 358.429 2.632 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)S(C)(=O)=O ZINC000824043894 743013112 /nfs/dbraw/zinc/01/31/12/743013112.db2.gz GFLPNYKGQHQXEV-AWEZNQCLSA-N 1 0 352.525 2.907 20 10 FFCDRO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@H](O)C(F)F ZINC000824637244 743120638 /nfs/dbraw/zinc/12/06/38/743120638.db2.gz WYPUCYHRHXZMRA-CABZTGNLSA-N 1 0 354.191 2.658 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1C ZINC000824831242 743158583 /nfs/dbraw/zinc/15/85/83/743158583.db2.gz VPLZEQSQFFWZJJ-DZGCQCFKSA-N 1 0 356.388 2.852 20 10 FFCDRO C[C@@H]1CN=C(N2CCN(Cc3ccc(Br)cc3O)CC2)S1 ZINC000824862447 743167222 /nfs/dbraw/zinc/16/72/22/743167222.db2.gz ILAMYQZPEWNHOD-LLVKDONJSA-N 1 0 370.316 2.764 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1Cl ZINC000825160680 743220542 /nfs/dbraw/zinc/22/05/42/743220542.db2.gz UONOQRCZERPEQY-UHFFFAOYSA-N 1 0 368.886 2.563 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1Cl ZINC000825259115 743237199 /nfs/dbraw/zinc/23/71/99/743237199.db2.gz GONGTTJZGBCFQP-AWEZNQCLSA-N 1 0 359.857 2.821 20 10 FFCDRO COc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825744252 743322134 /nfs/dbraw/zinc/32/21/34/743322134.db2.gz JBYOYBGNXUXOIW-GJZGRUSLSA-N 1 0 350.503 2.585 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000825803908 743329894 /nfs/dbraw/zinc/32/98/94/743329894.db2.gz MFSBLPKQPAATFR-XJKSGUPXSA-N 1 0 370.287 2.812 20 10 FFCDRO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CCO1 ZINC000826083628 743365995 /nfs/dbraw/zinc/36/59/95/743365995.db2.gz IYDQVNUIAJFBPG-XJKSGUPXSA-N 1 0 366.259 2.898 20 10 FFCDRO C[NH+](C)C1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCCC1 ZINC000827032599 743491940 /nfs/dbraw/zinc/49/19/40/743491940.db2.gz HGHZCWLPDZSDLK-UHFFFAOYSA-N 1 0 358.511 2.920 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCCCC[NH3+])cc2F)C[C@@H](C)O1 ZINC000827363991 743563372 /nfs/dbraw/zinc/56/33/72/743563372.db2.gz CEMZFGOWMNHGON-HUUCEWRRSA-N 1 0 351.466 2.575 20 10 FFCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@](C)(C(F)F)O1 ZINC000827955263 745007576 /nfs/dbraw/zinc/00/75/76/745007576.db2.gz CMUWLJAUHCKPJG-KXBFYZLASA-N 1 0 353.457 2.683 20 10 FFCDRO CCC[NH2+][C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358972 745059240 /nfs/dbraw/zinc/05/92/40/745059240.db2.gz PHHHIHHEIOVURH-CYBMUJFWSA-N 1 0 355.429 2.761 20 10 FFCDRO CO[C@@H](C)c1nc(C)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832265917 745668708 /nfs/dbraw/zinc/66/87/08/745668708.db2.gz BSMZSTFQEUZXIE-SWLSCSKDSA-N 1 0 362.499 2.655 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000832272308 745669581 /nfs/dbraw/zinc/66/95/81/745669581.db2.gz FBPHGETWGZSZEJ-RTBURBONSA-N 1 0 355.507 2.899 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccncc2C(F)(F)F)cc1 ZINC000832286315 745671960 /nfs/dbraw/zinc/67/19/60/745671960.db2.gz XZHYUVGNANQHKB-OAHLLOKOSA-N 1 0 352.360 2.596 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2coc(Br)c2)cc1 ZINC000832293349 745673655 /nfs/dbraw/zinc/67/36/55/745673655.db2.gz VJCVIILIWQFRNP-CYBMUJFWSA-N 1 0 352.232 2.538 20 10 FFCDRO COCCOC1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCOCC1 ZINC000834856193 745915164 /nfs/dbraw/zinc/91/51/64/745915164.db2.gz LWUOQWKZXKNBMS-DZGCQCFKSA-N 1 0 353.434 2.881 20 10 FFCDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834880675 745917990 /nfs/dbraw/zinc/91/79/90/745917990.db2.gz BCFAPOBEVHNOPV-ZRGWGRIASA-N 1 0 368.905 2.879 20 10 FFCDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccc(Br)cc1O ZINC000834915714 745923925 /nfs/dbraw/zinc/92/39/25/745923925.db2.gz TWEULDLOVSHBRC-SUHUHFCYSA-N 1 0 353.260 2.959 20 10 FFCDRO Brc1cc(C[NH2+]CCc2nnc[nH]2)ccc1N1CCCCC1 ZINC000838989175 746751578 /nfs/dbraw/zinc/75/15/78/746751578.db2.gz HUZUUWRXTVRYFW-UHFFFAOYSA-N 1 0 364.291 2.890 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CN1C1CC1 ZINC000839146712 746788304 /nfs/dbraw/zinc/78/83/04/746788304.db2.gz RVIQPLCPFYYKKT-UKRRQHHQSA-N 1 0 351.441 2.516 20 10 FFCDRO COc1c(O)c(CN(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000839186035 746797793 /nfs/dbraw/zinc/79/77/93/746797793.db2.gz HSMLLDYBHJAHSC-UHFFFAOYSA-N 1 0 365.455 2.934 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000839649697 746881618 /nfs/dbraw/zinc/88/16/18/746881618.db2.gz HDSWBYNRGPNQKD-ZFWWWQNUSA-N 1 0 364.511 2.796 20 10 FFCDRO O=C(NCCCSc1nccs1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839681743 746892601 /nfs/dbraw/zinc/89/26/01/746892601.db2.gz SHAUTVHNOHXKAR-AWEZNQCLSA-N 1 0 371.597 2.959 20 10 FFCDRO Brc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1N1CCCCC1 ZINC000841081771 747265051 /nfs/dbraw/zinc/26/50/51/747265051.db2.gz YJMTZYUJCFETBQ-HALDLXJZSA-N 1 0 350.304 2.747 20 10 FFCDRO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000841099531 747268897 /nfs/dbraw/zinc/26/88/97/747268897.db2.gz LGIWARDQFRQSGB-NVXWUHKLSA-N 1 0 369.303 2.873 20 10 FFCDRO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000841104027 747270132 /nfs/dbraw/zinc/27/01/32/747270132.db2.gz MPHIASWJVJCRGE-HOCLYGCPSA-N 1 0 369.849 2.672 20 10 FFCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707054 747436828 /nfs/dbraw/zinc/43/68/28/747436828.db2.gz MSFIMEACMBJKNB-GOSISDBHSA-N 1 0 364.559 2.755 20 10 FFCDRO CCCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000841707737 747437601 /nfs/dbraw/zinc/43/76/01/747437601.db2.gz YRYRALPGCWGVSJ-SFHVURJKSA-N 1 0 362.543 2.523 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841893895 747483150 /nfs/dbraw/zinc/48/31/50/747483150.db2.gz LCFMOKVCBMDBQV-NSHDSACASA-N 1 0 365.218 2.592 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[NH2+]CC3)cc2Cl)C1 ZINC000841895319 747484070 /nfs/dbraw/zinc/48/40/70/747484070.db2.gz AJFYMWAGGYQOCD-CQSZACIVSA-N 1 0 350.894 2.691 20 10 FFCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841897822 747485030 /nfs/dbraw/zinc/48/50/30/747485030.db2.gz XPBSFOXZFBTXIN-UONOGXRCSA-N 1 0 352.910 2.970 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC000842672505 747655218 /nfs/dbraw/zinc/65/52/18/747655218.db2.gz UGVOJUVTBLIHQP-UHFFFAOYSA-N 1 0 365.474 2.609 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000842918754 747720899 /nfs/dbraw/zinc/72/08/99/747720899.db2.gz IOGLATLHVNDFKM-BDJLRTHQSA-N 1 0 358.276 2.983 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCS(=O)(=O)c1ccc(F)cc1 ZINC000843350534 747814987 /nfs/dbraw/zinc/81/49/87/747814987.db2.gz OSOLNTKABDQZHI-UHFFFAOYSA-N 1 0 362.470 2.901 20 10 FFCDRO COc1ccc(N(C)CCN(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000844402691 748022686 /nfs/dbraw/zinc/02/26/86/748022686.db2.gz TUXHKYBGRXEBEW-UHFFFAOYSA-N 1 0 362.495 2.667 20 10 FFCDRO C[C@H]1CCCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)[C@H]1CC[NH3+] ZINC000846695658 748525541 /nfs/dbraw/zinc/52/55/41/748525541.db2.gz VYXGMGSELOTIIX-GUYCJALGSA-N 1 0 358.511 2.906 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC(F)(F)F)nn2)c1 ZINC000846845169 748556959 /nfs/dbraw/zinc/55/69/59/748556959.db2.gz UICQQULFPSNARZ-JTQLQIEISA-N 1 0 357.332 2.983 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847337084 748679435 /nfs/dbraw/zinc/67/94/35/748679435.db2.gz VSANJVXXLSYMKE-KBPBESRZSA-N 1 0 354.545 2.941 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)c1O ZINC000848529469 748950526 /nfs/dbraw/zinc/95/05/26/748950526.db2.gz VGNPPONDMLXYKP-IGJMFERPSA-N 1 0 364.305 2.926 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000848532840 748952514 /nfs/dbraw/zinc/95/25/14/748952514.db2.gz FMGCQDLXPWJQMQ-ZYHUDNBSSA-N 1 0 371.275 2.823 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000848543113 748954838 /nfs/dbraw/zinc/95/48/38/748954838.db2.gz AEXMBYHDOQWLJL-OWXODZSWSA-N 1 0 350.278 2.581 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=[NH2+])N3CCOCC3)cc2Cl)C1 ZINC000848986850 749041010 /nfs/dbraw/zinc/04/10/10/749041010.db2.gz HPCBDMXDBXZUBP-AWEZNQCLSA-N 1 0 350.894 2.933 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(C(F)(F)F)cnn3C)C2)cc1 ZINC000850345939 749345983 /nfs/dbraw/zinc/34/59/83/749345983.db2.gz ACLMPBPVRGGKFN-LBPRGKRZSA-N 1 0 354.376 2.816 20 10 FFCDRO COC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C1CCOCC1 ZINC000850351160 749349710 /nfs/dbraw/zinc/34/97/10/749349710.db2.gz KFGOZEFMRNJOER-CQSZACIVSA-N 1 0 374.275 2.695 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1C ZINC000850355864 749351342 /nfs/dbraw/zinc/35/13/42/749351342.db2.gz MELDGVAFQRUKLS-NUJGCVRESA-N 1 0 350.528 2.836 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([S@](C)=O)C3)CC2)cc1 ZINC000850357103 749351445 /nfs/dbraw/zinc/35/14/45/749351445.db2.gz XXZCXENZEYBTHB-XKPFWTEKSA-N 1 0 350.528 2.943 20 10 FFCDRO C[C@@H](Cn1cncn1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000850430001 749364017 /nfs/dbraw/zinc/36/40/17/749364017.db2.gz KRGMSUSTBOFQFO-ZDUSSCGKSA-N 1 0 351.401 2.527 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1O ZINC000850485118 749371659 /nfs/dbraw/zinc/37/16/59/749371659.db2.gz XOZGGHIKNJBDBI-FIXISWKDSA-N 1 0 374.275 2.865 20 10 FFCDRO COc1cc(NCC[NH2+]Cc2ccc(OC)c(OC)c2O)cc(OC)c1 ZINC000893182742 970875063 /nfs/dbraw/zinc/87/50/63/970875063.db2.gz PORFIVYBHUFQHG-UHFFFAOYSA-N 1 0 362.426 2.628 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000840343689 971100210 /nfs/dbraw/zinc/10/02/10/971100210.db2.gz UBKNJHRRGBTVFL-SJORKVTESA-N 1 0 358.530 2.942 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000820426738 945447115 /nfs/dbraw/zinc/44/71/15/945447115.db2.gz NDKHFGQKYGZZEV-CYBMUJFWSA-N 1 0 370.482 2.616 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000840385524 971220485 /nfs/dbraw/zinc/22/04/85/971220485.db2.gz ZPFUUGMXOMIMCE-SHFXZJCHSA-N 1 0 358.530 2.916 20 10 FFCDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888587355 1013070559 /nfs/dbraw/zinc/07/05/59/1013070559.db2.gz GQRYIKIQZTWSAZ-HNNXBMFYSA-N 1 0 364.453 2.812 20 10 FFCDRO COc1ccc(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)cc1Cn1cccn1 ZINC000896411129 971477413 /nfs/dbraw/zinc/47/74/13/971477413.db2.gz CWQRWYRFRINGNK-VQTJNVASSA-N 1 0 357.454 2.715 20 10 FFCDRO C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1ccc(I)cc1O ZINC001205916601 1032064513 /nfs/dbraw/zinc/06/45/13/1032064513.db2.gz UTPAISWCRDSKON-GHMZBOCLSA-N 1 0 360.239 2.556 20 10 FFCDRO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001275893282 1013150155 /nfs/dbraw/zinc/15/01/55/1013150155.db2.gz FTTIGXCIIFOZLE-GOSISDBHSA-N 1 0 352.862 2.649 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCO2)cc1C ZINC001087115923 960534470 /nfs/dbraw/zinc/53/44/70/960534470.db2.gz JTEKUOBHEINILE-BPAFIMBUSA-N 1 0 360.498 2.899 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(C)(C)O)C1 ZINC000683491109 960787478 /nfs/dbraw/zinc/78/74/78/960787478.db2.gz FWTCTQACHAYTAB-OAHLLOKOSA-N 1 0 357.498 2.683 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@@H](O)C2)C1 ZINC000683501863 960794248 /nfs/dbraw/zinc/79/42/48/960794248.db2.gz ZVUUZNHDGXQEHJ-DLBZAZTESA-N 1 0 369.509 2.685 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@]3(CCN(CC(F)F)C3=O)C2)ccc1N(C)C ZINC001275951310 1013220986 /nfs/dbraw/zinc/22/09/86/1013220986.db2.gz IVSYOOQYJOZBJY-IBGZPJMESA-N 1 0 351.441 2.751 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4cscn4)C3)C2=O)cc1 ZINC001275969823 1013243410 /nfs/dbraw/zinc/24/34/10/1013243410.db2.gz MPXWYQUGOKJLTE-HXUWFJFHSA-N 1 0 370.522 2.834 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@]23C[C@H]2COC3)cc1C ZINC000960016821 1013304454 /nfs/dbraw/zinc/30/44/54/1013304454.db2.gz VFQYHTXBWZTIMW-WFXMLNOXSA-N 1 0 358.482 2.511 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C ZINC000728285571 962301620 /nfs/dbraw/zinc/30/16/20/962301620.db2.gz JGDPTFZAAFJFLR-UHFFFAOYSA-N 1 0 373.541 2.822 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C3CCC3)CC2)cc1 ZINC000728288915 962468425 /nfs/dbraw/zinc/46/84/25/962468425.db2.gz KESRGHOTAVKZAA-FQEVSTJZSA-N 1 0 357.498 2.608 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnn2C2CCC2)[NH+](C)C)cc1 ZINC000891243336 962539154 /nfs/dbraw/zinc/53/91/54/962539154.db2.gz MNJOAKMDGUVOKO-IBGZPJMESA-N 1 0 355.486 2.707 20 10 FFCDRO COc1ccc(C[NH2+]CCC(=O)NC2CCCCC2)cc1Cn1cccn1 ZINC000873023049 1013352834 /nfs/dbraw/zinc/35/28/34/1013352834.db2.gz WIUMVSJCUQSZEZ-UHFFFAOYSA-N 1 0 370.497 2.869 20 10 FFCDRO C/C(=C/c1cccnc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248531 962577295 /nfs/dbraw/zinc/57/72/95/962577295.db2.gz YFMSRDWSWCTWDP-JDQHYLEWSA-N 1 0 352.482 2.970 20 10 FFCDRO Cc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1O ZINC000891248016 962579412 /nfs/dbraw/zinc/57/94/12/962579412.db2.gz JXGVBFWYPAUHEN-IBGZPJMESA-N 1 0 355.482 2.728 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3c(s2)CCOC3)[NH+](C)C)cc1 ZINC000891250624 962592511 /nfs/dbraw/zinc/59/25/11/962592511.db2.gz AYWNKCJEGVLVFR-KRWDZBQOSA-N 1 0 373.522 2.920 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCCOc2cccnc2)[NH+](C)C)cc1 ZINC000891252341 962606679 /nfs/dbraw/zinc/60/66/79/962606679.db2.gz JNSVJJJKYGJBJM-HXUWFJFHSA-N 1 0 370.497 2.726 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Cc2c[nH]c3ncccc23)[NH+](C)C)cc1 ZINC000891253376 962607187 /nfs/dbraw/zinc/60/71/87/962607187.db2.gz RSWJZSVMPGWNAL-IBGZPJMESA-N 1 0 365.481 2.591 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3nccnc3c2)[NH+](C)C)cc1 ZINC000891256838 962618600 /nfs/dbraw/zinc/61/86/00/962618600.db2.gz AGHDYSKFXFAQFB-FQEVSTJZSA-N 1 0 363.465 2.729 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001276064500 1013387231 /nfs/dbraw/zinc/38/72/31/1013387231.db2.gz SJXGPRTZMFJVKJ-HXUWFJFHSA-N 1 0 355.413 2.551 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1Cn1cccn1 ZINC000873135948 1013397476 /nfs/dbraw/zinc/39/74/76/1013397476.db2.gz QQNPKSYIXIOWOV-YSIASYRMSA-N 1 0 373.497 2.596 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1C ZINC000873141153 1013399054 /nfs/dbraw/zinc/39/90/54/1013399054.db2.gz ADQACHVACTZLPY-QGZVFWFLSA-N 1 0 366.469 2.590 20 10 FFCDRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c1OC ZINC000891662058 964759851 /nfs/dbraw/zinc/75/98/51/964759851.db2.gz KMQFLFKMOQKOJO-UHFFFAOYSA-N 1 0 370.449 2.758 20 10 FFCDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000093415534 965456162 /nfs/dbraw/zinc/45/61/62/965456162.db2.gz PNTLJGGIWZUXHA-NRFANRHFSA-N 1 0 374.456 2.836 20 10 FFCDRO COC[C@@]1(C[NH2+]Cc2ccc(OC)c(OC)c2O)OCCc2ccccc21 ZINC000894532081 965457314 /nfs/dbraw/zinc/45/73/14/965457314.db2.gz PFTUUHCTHIRLKG-OAQYLSRUSA-N 1 0 373.449 2.614 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(C)n1-c1cccc(C)c1 ZINC000773536932 1013585085 /nfs/dbraw/zinc/58/50/85/1013585085.db2.gz ZMRITPLOQAYXPV-FQEVSTJZSA-N 1 0 366.509 2.522 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C(C)C ZINC000120833697 965860292 /nfs/dbraw/zinc/86/02/92/965860292.db2.gz DQXYEAKDRBUQDE-QGZVFWFLSA-N 1 0 360.498 2.895 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccccc2Cn2cccn2)c(O)c1OC ZINC000892482917 969086728 /nfs/dbraw/zinc/08/67/28/969086728.db2.gz XATOEGKJPIRJNL-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC3(CCCC3)C1)cc2=O ZINC000782636119 969245747 /nfs/dbraw/zinc/24/57/47/969245747.db2.gz FJBIZCCWFOEBBD-UHFFFAOYSA-N 1 0 358.442 2.768 20 10 FFCDRO C[NH+](C)CCOc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875057390 1013959577 /nfs/dbraw/zinc/95/95/77/1013959577.db2.gz OARPMLBWORTWDK-UHFFFAOYSA-N 1 0 355.438 2.558 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(OC)c(OC)c3O)C2)cc1 ZINC000895310632 970302569 /nfs/dbraw/zinc/30/25/69/970302569.db2.gz QJRQMKVLHSLODW-HNNXBMFYSA-N 1 0 358.438 2.787 20 10 FFCDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000125073854 973084315 /nfs/dbraw/zinc/08/43/15/973084315.db2.gz SYIJWGASYQVKBX-ZWKOTPCHSA-N 1 0 374.529 2.758 20 10 FFCDRO C[NH2+]C[C@H]1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000653049302 1014215618 /nfs/dbraw/zinc/21/56/18/1014215618.db2.gz BIWXTLQMFKFPKA-OAHLLOKOSA-N 1 0 355.482 2.597 20 10 FFCDRO Cc1noc(C(F)F)c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608660 975913489 /nfs/dbraw/zinc/91/34/89/975913489.db2.gz YGTDKSSGCFZSFS-UHFFFAOYSA-N 1 0 364.396 2.602 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000898449567 976460396 /nfs/dbraw/zinc/46/03/96/976460396.db2.gz HJRCKEDVEGIUHQ-HXUWFJFHSA-N 1 0 361.530 2.878 20 10 FFCDRO CO[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC000899097988 976904968 /nfs/dbraw/zinc/90/49/68/976904968.db2.gz JZIRDUZVOXHKCF-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)Cc2cccnc2)[NH+](C)C)cc1 ZINC000899101350 976911740 /nfs/dbraw/zinc/91/17/40/976911740.db2.gz JJIVYTUCKMEVLV-IBGZPJMESA-N 1 0 355.486 2.592 20 10 FFCDRO O[C@@H](C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1)C(F)(F)F ZINC000876778320 1014389371 /nfs/dbraw/zinc/38/93/71/1014389371.db2.gz BGQNHEGNSICTJI-SFHVURJKSA-N 1 0 372.431 2.783 20 10 FFCDRO Cc1cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1-c1ccc(C)c(F)c1 ZINC000728913627 977427846 /nfs/dbraw/zinc/42/78/46/977427846.db2.gz DPXAODACJMDSLK-IAGOWNOFSA-N 1 0 355.457 2.876 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000876897997 1014413851 /nfs/dbraw/zinc/41/38/51/1014413851.db2.gz PLQNQSQEZWLWLU-UHFFFAOYSA-N 1 0 354.450 2.709 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccc(F)cc1 ZINC000876966554 1014435043 /nfs/dbraw/zinc/43/50/43/1014435043.db2.gz UBYVVHCZDRHBOH-LJQANCHMSA-N 1 0 372.484 2.728 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)cc1 ZINC000729297997 978232003 /nfs/dbraw/zinc/23/20/03/978232003.db2.gz NBSYSEDMXVEWAP-HXUWFJFHSA-N 1 0 359.514 2.854 20 10 FFCDRO C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000729343808 978246874 /nfs/dbraw/zinc/24/68/74/978246874.db2.gz BTRHJWAKWHUXQC-GOSISDBHSA-N 1 0 359.514 2.967 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)cc1C ZINC000968711729 1014474330 /nfs/dbraw/zinc/47/43/30/1014474330.db2.gz DEBGABCPOPDXGF-HBFSDRIKSA-N 1 0 360.498 2.755 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(O)c1 ZINC000877146381 1014489391 /nfs/dbraw/zinc/48/93/91/1014489391.db2.gz RXKGMTZWLCQDLS-SFHVURJKSA-N 1 0 353.466 2.692 20 10 FFCDRO O=C(CCc1ccc(O)c(O)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000201645128 979094623 /nfs/dbraw/zinc/09/46/23/979094623.db2.gz UREVKHFJGPOPQL-SFHVURJKSA-N 1 0 354.450 2.984 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)cc2)CC1 ZINC000877516682 1014608951 /nfs/dbraw/zinc/60/89/51/1014608951.db2.gz CTYUGSGHGJPICO-SFHVURJKSA-N 1 0 372.431 2.927 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)[C@]12CCCO2 ZINC000877598409 1014639950 /nfs/dbraw/zinc/63/99/50/1014639950.db2.gz NRPISBJDZPJAPC-UMSONDCASA-N 1 0 360.498 2.838 20 10 FFCDRO COc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1N ZINC000904501447 980287920 /nfs/dbraw/zinc/28/79/20/980287920.db2.gz ZHYRQQGLPVYEFC-GOSISDBHSA-N 1 0 371.485 2.768 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccccc3C[NH3+])CC2)c(OC)c1 ZINC000904623747 980306337 /nfs/dbraw/zinc/30/63/37/980306337.db2.gz CMYPVLBSNFLMGN-UHFFFAOYSA-N 1 0 370.453 2.517 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000026761310 980437780 /nfs/dbraw/zinc/43/77/80/980437780.db2.gz NVLGLUNFQDGVNE-UHFFFAOYSA-N 1 0 371.441 2.623 20 10 FFCDRO CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)c3cc(O)c(O)c(O)c3)C2)C1 ZINC001272050137 980745439 /nfs/dbraw/zinc/74/54/39/980745439.db2.gz XKKPUDYLFQUXHM-CQSZACIVSA-N 1 0 362.470 2.778 20 10 FFCDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000877727786 1014700569 /nfs/dbraw/zinc/70/05/69/1014700569.db2.gz YVJBBTGYBXVLEQ-YLJYHZDGSA-N 1 0 371.433 2.639 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(CO)cc3OC)c2)CC1 ZINC000907452392 981253827 /nfs/dbraw/zinc/25/38/27/981253827.db2.gz MDPUPESJEZZMIS-UHFFFAOYSA-N 1 0 369.465 2.582 20 10 FFCDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877822210 1014739845 /nfs/dbraw/zinc/73/98/45/1014739845.db2.gz PKBHXMMUFKBLAQ-MRXNPFEDSA-N 1 0 364.461 2.828 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)cc1 ZINC000911277822 982186749 /nfs/dbraw/zinc/18/67/49/982186749.db2.gz XJZURJSXNACOHJ-KPFFTGBYSA-N 1 0 357.498 2.655 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC000897582489 982331243 /nfs/dbraw/zinc/33/12/43/982331243.db2.gz ZBSQAKSWOIHCDS-MJGOQNOKSA-N 1 0 369.465 2.545 20 10 FFCDRO CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000841956579 982467039 /nfs/dbraw/zinc/46/70/39/982467039.db2.gz CFMDAIIVJACNJM-FQEVSTJZSA-N 1 0 352.482 2.727 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(c4cnn(C)c4)CCCO3)CC2)cc1 ZINC000898057762 982603502 /nfs/dbraw/zinc/60/35/02/982603502.db2.gz WYYNEGQFRDJNOT-OAQYLSRUSA-N 1 0 370.497 2.693 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000826030858 1014911702 /nfs/dbraw/zinc/91/17/02/1014911702.db2.gz TWCODXBJRZOPJU-FQEVSTJZSA-N 1 0 359.514 2.779 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C(/C)C3CC3)CC2)cc1 ZINC000055046043 984316134 /nfs/dbraw/zinc/31/61/34/984316134.db2.gz XDBBJNXNBUXKIF-MSUUIHNZSA-N 1 0 357.498 2.680 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000056863934 984465225 /nfs/dbraw/zinc/46/52/25/984465225.db2.gz JUXLMXPDIDMYFF-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO COc1ccccc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000157398118 984545537 /nfs/dbraw/zinc/54/55/37/984545537.db2.gz MDNAMJKJFJURBM-UHFFFAOYSA-N 1 0 367.493 2.854 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000157824537 984677904 /nfs/dbraw/zinc/67/79/04/984677904.db2.gz QVILXBDHZLQOOK-UHFFFAOYSA-N 1 0 372.465 2.791 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764808540 984727065 /nfs/dbraw/zinc/72/70/65/984727065.db2.gz FNXGTVSFMXXFPI-AEFFLSMTSA-N 1 0 374.456 2.753 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C ZINC000764979899 984888643 /nfs/dbraw/zinc/88/86/43/984888643.db2.gz HTKAHRRZSVDZGA-FQEVSTJZSA-N 1 0 368.477 2.563 20 10 FFCDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000765632765 985246520 /nfs/dbraw/zinc/24/65/20/985246520.db2.gz GOQBBUXXTGXDRT-GDBMZVCRSA-N 1 0 365.449 2.544 20 10 FFCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000921582443 985411352 /nfs/dbraw/zinc/41/13/52/985411352.db2.gz IZOFYKGQIFZVDD-AWEZNQCLSA-N 1 0 372.444 2.951 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2F)C[C@H](C)O1 ZINC000173919346 986018589 /nfs/dbraw/zinc/01/85/89/986018589.db2.gz XGIRCTUNEXNPSG-GJZGRUSLSA-N 1 0 363.477 2.540 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000174447263 986214456 /nfs/dbraw/zinc/21/44/56/986214456.db2.gz VMZXSWMDULUEFP-GOSISDBHSA-N 1 0 358.530 2.942 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N(C)C)cc1 ZINC000151777391 986855322 /nfs/dbraw/zinc/85/53/22/986855322.db2.gz NCKTWIYVEYZGKI-VGOFRKELSA-N 1 0 353.510 2.822 20 10 FFCDRO COc1ccc(F)c(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000878904399 1015276297 /nfs/dbraw/zinc/27/62/97/1015276297.db2.gz AMIAAQZMAUQPDY-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cc1 ZINC000153275477 987831779 /nfs/dbraw/zinc/83/17/79/987831779.db2.gz PRPAJIRFKDILGW-YJBOKZPZSA-N 1 0 372.465 2.962 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153291513 987848770 /nfs/dbraw/zinc/84/87/70/987848770.db2.gz ZMUWBNVAJXFVST-IEBWSBKVSA-N 1 0 372.465 2.962 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccc(C(=O)N(C)C)c3)C2)cc1 ZINC000922237041 988226179 /nfs/dbraw/zinc/22/61/79/988226179.db2.gz HFYBINLXGWKYAP-GOSISDBHSA-N 1 0 353.466 2.766 20 10 FFCDRO C[NH+](C)CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000922631690 988769982 /nfs/dbraw/zinc/76/99/82/988769982.db2.gz MJCDQWZVALLVRT-FQEVSTJZSA-N 1 0 372.488 2.840 20 10 FFCDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000918120765 990338980 /nfs/dbraw/zinc/33/89/80/990338980.db2.gz KZTGHETYMKDTMD-SFHVURJKSA-N 1 0 374.529 2.539 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000879587836 1015598226 /nfs/dbraw/zinc/59/82/26/1015598226.db2.gz GCVYBHBQXGLKQG-INIZCTEOSA-N 1 0 370.419 2.579 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C ZINC000237864887 991371509 /nfs/dbraw/zinc/37/15/09/991371509.db2.gz IKPAWDXSVSKYOP-GOSISDBHSA-N 1 0 354.450 2.779 20 10 FFCDRO C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000068549359 991467450 /nfs/dbraw/zinc/46/74/50/991467450.db2.gz BFLOQZVWHDCPKT-MSOLQXFVSA-N 1 0 374.529 2.758 20 10 FFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cccc(I)c3O)[C@@H]2C1 ZINC001237781636 992713250 /nfs/dbraw/zinc/71/32/50/992713250.db2.gz ZHOIXYSPPBWQNC-BXUZGUMPSA-N 1 0 372.250 2.523 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)CC1 ZINC000184284546 992715267 /nfs/dbraw/zinc/71/52/67/992715267.db2.gz IVUCMOXCPNEJIQ-UHFFFAOYSA-N 1 0 353.422 2.810 20 10 FFCDRO CCOc1cc(NC2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)ncn1 ZINC000184960457 993096987 /nfs/dbraw/zinc/09/69/87/993096987.db2.gz IHURDBMQJDXMIL-UHFFFAOYSA-N 1 0 372.469 2.974 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000072591599 993196377 /nfs/dbraw/zinc/19/63/77/993196377.db2.gz OUFGKSFEXDVMFS-QUCCMNQESA-N 1 0 357.450 2.813 20 10 FFCDRO Cc1ccccc1CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001132899244 995193303 /nfs/dbraw/zinc/19/33/03/995193303.db2.gz QNTWWIXOZJFPCG-UHFFFAOYSA-N 1 0 351.494 2.996 20 10 FFCDRO CO[C@@](C)(C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000812542940 995453773 /nfs/dbraw/zinc/45/37/73/995453773.db2.gz MMMFLHLIUFRFET-JOCHJYFZSA-N 1 0 371.525 2.650 20 10 FFCDRO COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000812541783 995460860 /nfs/dbraw/zinc/46/08/60/995460860.db2.gz DZQPGMVQNJMIHL-ZWKOTPCHSA-N 1 0 373.541 2.753 20 10 FFCDRO CCOCc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)ccc1OC ZINC000747854566 995680875 /nfs/dbraw/zinc/68/08/75/995680875.db2.gz ONRLJGBELCNRBR-UHFFFAOYSA-N 1 0 371.481 2.753 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NOCC1CCC1 ZINC000824081286 996791225 /nfs/dbraw/zinc/79/12/25/996791225.db2.gz FHFDQBOKOBFMPQ-UHFFFAOYSA-N 1 0 372.513 2.750 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C1 ZINC000824086444 996792401 /nfs/dbraw/zinc/79/24/01/996792401.db2.gz VUSXADUNTRTWJY-QZTJIDSGSA-N 1 0 357.498 2.580 20 10 FFCDRO Cn1ccnc1[C@H]1N(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000824620312 997035056 /nfs/dbraw/zinc/03/50/56/997035056.db2.gz JHRXMMKVWJIUAB-LJQANCHMSA-N 1 0 353.514 2.755 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)ccc1OC ZINC000825328294 997316753 /nfs/dbraw/zinc/31/67/53/997316753.db2.gz ZJIIOYHGFNLKEK-PKOBYXMFSA-N 1 0 359.470 2.975 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000844166792 997689566 /nfs/dbraw/zinc/68/95/66/997689566.db2.gz IXSBAQNOUAWDAA-LJQANCHMSA-N 1 0 373.884 2.835 20 10 FFCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000844188074 997699564 /nfs/dbraw/zinc/69/95/64/997699564.db2.gz NWCMZKZVSQLOSS-JKIFEVAISA-N 1 0 367.440 2.761 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000844313395 997771302 /nfs/dbraw/zinc/77/13/02/997771302.db2.gz RDXDPNHYZAZPAF-ORAYPTAESA-N 1 0 368.474 2.669 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000844899988 998212226 /nfs/dbraw/zinc/21/22/26/998212226.db2.gz YEJWANJZNPRYEO-UHFFFAOYSA-N 1 0 374.529 2.647 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCCF)[C@H]3C2)cc1 ZINC001085104328 998953237 /nfs/dbraw/zinc/95/32/37/998953237.db2.gz YVDAIVSERXCPOD-CJNGLKHVSA-N 1 0 361.421 2.745 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2n[nH]cc2C)cc1C ZINC001085194723 999106422 /nfs/dbraw/zinc/10/64/22/999106422.db2.gz RAMGXDQLWMGZDR-IAGOWNOFSA-N 1 0 356.470 2.866 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000733891776 999113157 /nfs/dbraw/zinc/11/31/57/999113157.db2.gz TXZIJWUGJLEJQH-SFHVURJKSA-N 1 0 359.514 2.998 20 10 FFCDRO CCOc1ccc(C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c(O)c1 ZINC000734845801 999348006 /nfs/dbraw/zinc/34/80/06/999348006.db2.gz HISHQMDOJNALKL-JOCHJYFZSA-N 1 0 370.493 2.908 20 10 FFCDRO COCCOC1CC[NH+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000735071316 999386494 /nfs/dbraw/zinc/38/64/94/999386494.db2.gz YUDZEWTXRHMGPK-UHFFFAOYSA-N 1 0 373.449 2.959 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000740006967 999657157 /nfs/dbraw/zinc/65/71/57/999657157.db2.gz PTTJYKGEDPFTJR-GHTZIAJQSA-N 1 0 370.493 2.764 20 10 FFCDRO CN(C)c1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000741258906 999716956 /nfs/dbraw/zinc/71/69/56/999716956.db2.gz QWDWZHCEBKPJON-OAQYLSRUSA-N 1 0 357.473 2.618 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC001086111792 999769611 /nfs/dbraw/zinc/76/96/11/999769611.db2.gz CPGPTESYZXYJQC-XMTFNYHQSA-N 1 0 368.481 2.515 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC000743852941 999833630 /nfs/dbraw/zinc/83/36/30/999833630.db2.gz MIARQRSBIWGBIR-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000745855561 999935042 /nfs/dbraw/zinc/93/50/42/999935042.db2.gz WFHUSLWMAULBHT-BPQIPLTHSA-N 1 0 361.486 2.566 20 10 FFCDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000746423422 999987997 /nfs/dbraw/zinc/98/79/97/999987997.db2.gz UZCQZOTXMZVAEL-HXUWFJFHSA-N 1 0 368.525 2.936 20 10 FFCDRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC001169865260 1000082811 /nfs/dbraw/zinc/08/28/11/1000082811.db2.gz BCXSAMWVKRPPEF-UHFFFAOYSA-N 1 0 362.289 2.600 20 10 FFCDRO C[N@H+](CC(=O)Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCSC1 ZINC000766892762 1000091442 /nfs/dbraw/zinc/09/14/42/1000091442.db2.gz TWHVLHHPDFNOLV-AWEZNQCLSA-N 1 0 367.478 2.772 20 10 FFCDRO COc1cccc(O)c1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000846050260 1000197694 /nfs/dbraw/zinc/19/76/94/1000197694.db2.gz ZOKVHNJMUXISGA-UGKGYDQZSA-N 1 0 368.477 2.876 20 10 FFCDRO COc1ccc(O)c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000846050242 1000197849 /nfs/dbraw/zinc/19/78/49/1000197849.db2.gz ZMAAVMNMERWCOY-UNMCSNQZSA-N 1 0 368.477 2.876 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)[C@H](O)CO2 ZINC000768440667 1000248990 /nfs/dbraw/zinc/24/89/90/1000248990.db2.gz UHPJFWAXWWRYHR-FXAWDEMLSA-N 1 0 355.434 2.999 20 10 FFCDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768443120 1000249042 /nfs/dbraw/zinc/24/90/42/1000249042.db2.gz ZJSCTLNLQYZDNT-LJQANCHMSA-N 1 0 368.433 2.669 20 10 FFCDRO CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000768449341 1000250364 /nfs/dbraw/zinc/25/03/64/1000250364.db2.gz GMJMMICRDDXASA-HXUWFJFHSA-N 1 0 368.477 2.914 20 10 FFCDRO CCOc1cc(NC2CC[NH+](Cc3c(O)cccc3OC)CC2)ncn1 ZINC000768536640 1000289020 /nfs/dbraw/zinc/28/90/20/1000289020.db2.gz ZIHMWCIXKCPDKF-UHFFFAOYSA-N 1 0 358.442 2.666 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1 ZINC000768818656 1000358945 /nfs/dbraw/zinc/35/89/45/1000358945.db2.gz UTLGOOYNEPIGGL-INIZCTEOSA-N 1 0 371.456 2.985 20 10 FFCDRO C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000846593400 1000381779 /nfs/dbraw/zinc/38/17/79/1000381779.db2.gz OEAACAUXASUFDT-ZQAUEJBPSA-N 1 0 352.434 2.892 20 10 FFCDRO O=C(CCOCC1CC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768913172 1000384298 /nfs/dbraw/zinc/38/42/98/1000384298.db2.gz HTILGWGFZCVFDA-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000846662906 1000403305 /nfs/dbraw/zinc/40/33/05/1000403305.db2.gz BEJPXSILRCVJII-IBGZPJMESA-N 1 0 350.466 2.983 20 10 FFCDRO Cc1cccc2c(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c[nH]c21 ZINC000846663234 1000408198 /nfs/dbraw/zinc/40/81/98/1000408198.db2.gz FYQNSJBKSXVACG-LJQANCHMSA-N 1 0 350.466 2.901 20 10 FFCDRO CCO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C[C@H]1C[NH3+] ZINC000846692369 1000410584 /nfs/dbraw/zinc/41/05/84/1000410584.db2.gz AOKFHHCUFGNJAE-DNVCBOLYSA-N 1 0 359.445 2.669 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000846696251 1000412020 /nfs/dbraw/zinc/41/20/20/1000412020.db2.gz DCLNZFLYNLTDDL-JXFKEZNVSA-N 1 0 355.482 2.926 20 10 FFCDRO COCC[NH2+][C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846702299 1000413443 /nfs/dbraw/zinc/41/34/43/1000413443.db2.gz HJEWJAORNNUDLK-KRWDZBQOSA-N 1 0 352.394 2.970 20 10 FFCDRO CC(=O)NCC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769055830 1000424561 /nfs/dbraw/zinc/42/45/61/1000424561.db2.gz IXSCFEXCEYXOAE-UHFFFAOYSA-N 1 0 374.485 2.933 20 10 FFCDRO COc1ccc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c(O)c1 ZINC000846951622 1000494967 /nfs/dbraw/zinc/49/49/67/1000494967.db2.gz ZDJTXHMLMVYWDB-IBGZPJMESA-N 1 0 354.450 2.897 20 10 FFCDRO COc1ccc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c(O)c1 ZINC000846951624 1000495601 /nfs/dbraw/zinc/49/56/01/1000495601.db2.gz ZDJTXHMLMVYWDB-LJQANCHMSA-N 1 0 354.450 2.897 20 10 FFCDRO CCOc1ccc(C[N@H+](CCO)Cc2cc(OC)ccc2OC)c(O)c1 ZINC000769403247 1000508298 /nfs/dbraw/zinc/50/82/98/1000508298.db2.gz HCTQFSFDRNTLPX-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)cc1F ZINC000769447544 1000522935 /nfs/dbraw/zinc/52/29/35/1000522935.db2.gz XOVNQNKRTQBNNE-UHFFFAOYSA-N 1 0 355.457 2.911 20 10 FFCDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000770382565 1000758743 /nfs/dbraw/zinc/75/87/43/1000758743.db2.gz UOKODFVVWKMXGT-TZMCWYRMSA-N 1 0 364.442 2.999 20 10 FFCDRO [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC(=O)c1cccc(O)c1O ZINC001148224525 1001075321 /nfs/dbraw/zinc/07/53/21/1001075321.db2.gz OMEBGTYAMBOEOX-JSRAGOMMSA-N 1 0 372.424 2.815 20 10 FFCDRO CCOC(=O)[C@@H](CC)N(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000787438583 1001690960 /nfs/dbraw/zinc/69/09/60/1001690960.db2.gz DIPOSOUVFSHAOH-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccnn1C ZINC000788077017 1001754634 /nfs/dbraw/zinc/75/46/34/1001754634.db2.gz RIDHIEIEHONNMU-QGZVFWFLSA-N 1 0 360.477 2.925 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccnc(OC)c3)CC2)cc1 ZINC000788570255 1001826344 /nfs/dbraw/zinc/82/63/44/1001826344.db2.gz IYAWPQCNKVMQOI-QGZVFWFLSA-N 1 0 370.497 2.572 20 10 FFCDRO CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000788606875 1001831456 /nfs/dbraw/zinc/83/14/56/1001831456.db2.gz AJZOGJLPKDRLDE-GJZGRUSLSA-N 1 0 365.428 2.917 20 10 FFCDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000790068827 1002263079 /nfs/dbraw/zinc/26/30/79/1002263079.db2.gz CQJAMQBIWCWLST-UHFFFAOYSA-N 1 0 358.413 2.940 20 10 FFCDRO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2ccc(Cl)cc2O)CCC1 ZINC001183802766 1002398985 /nfs/dbraw/zinc/39/89/85/1002398985.db2.gz XKAZIVNPYOHVCB-UHFFFAOYSA-N 1 0 360.907 2.776 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[N@@H+]1CCC[C@@H](C)C1 ZINC000746982638 1002587866 /nfs/dbraw/zinc/58/78/66/1002587866.db2.gz FYKUJQOUQZJHIQ-SJORKVTESA-N 1 0 358.530 2.989 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000792892434 1003221717 /nfs/dbraw/zinc/22/17/17/1003221717.db2.gz DEDSTALGPSPJIB-NQIIRXRSSA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(O)c1 ZINC000792891326 1003221794 /nfs/dbraw/zinc/22/17/94/1003221794.db2.gz WOFYLCPJBUOWFI-KRWDZBQOSA-N 1 0 361.417 2.642 20 10 FFCDRO CCN1CC2(CC1=O)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001203648369 1003430442 /nfs/dbraw/zinc/43/04/42/1003430442.db2.gz KAFOHKHCVLFBRW-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806634163 1004380914 /nfs/dbraw/zinc/38/09/14/1004380914.db2.gz FQCOAWWPCJGUPY-QFBILLFUSA-N 1 0 356.514 2.837 20 10 FFCDRO CCc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)[nH]n1 ZINC001086648389 1004514556 /nfs/dbraw/zinc/51/45/56/1004514556.db2.gz BROBFKQUJGSFPR-FUHWJXTLSA-N 1 0 370.497 2.977 20 10 FFCDRO Cc1c(C(=O)NCC[NH2+]CCO)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559203 1004521283 /nfs/dbraw/zinc/52/12/83/1004521283.db2.gz IXWXGDROIPKDSB-UHFFFAOYSA-N 1 0 363.461 2.764 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775836608 1004563570 /nfs/dbraw/zinc/56/35/70/1004563570.db2.gz OEFATDVOVBICRU-CQSZACIVSA-N 1 0 355.438 2.829 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCCO2 ZINC000101726222 1004908117 /nfs/dbraw/zinc/90/81/17/1004908117.db2.gz VYBCJVPKZLUIAC-UHFFFAOYSA-N 1 0 354.450 2.926 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000775979244 1004949025 /nfs/dbraw/zinc/94/90/25/1004949025.db2.gz TVHSUPYBJVVKNM-IPELMVKDSA-N 1 0 363.458 2.867 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000776174881 1005215177 /nfs/dbraw/zinc/21/51/77/1005215177.db2.gz CLUMAHUJEXKMIO-NRFANRHFSA-N 1 0 356.466 2.518 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000776217920 1005278728 /nfs/dbraw/zinc/27/87/28/1005278728.db2.gz WRMPZNFTTBVTLS-BHIYHBOVSA-N 1 0 352.434 2.647 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c(C(C)(C)C)c1 ZINC000850133954 1005788877 /nfs/dbraw/zinc/78/88/77/1005788877.db2.gz UIGAAWDZBJWYKZ-CQSZACIVSA-N 1 0 374.403 2.951 20 10 FFCDRO COCCN(C)c1ccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850347489 1005809303 /nfs/dbraw/zinc/80/93/03/1005809303.db2.gz SMRCFABRMXVGMQ-SFHVURJKSA-N 1 0 370.497 2.541 20 10 FFCDRO c1cnc(N2CCCC2)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000850352921 1005810034 /nfs/dbraw/zinc/81/00/34/1005810034.db2.gz MDJLLPPAWOUKPG-UHFFFAOYSA-N 1 0 352.482 2.808 20 10 FFCDRO CN1CCc2c(NCc3ccc(N4CC[NH+](C)CC4)cc3)cccc2C1=O ZINC000850383689 1005812108 /nfs/dbraw/zinc/81/21/08/1005812108.db2.gz SOIKCWYBPWZWLQ-UHFFFAOYSA-N 1 0 364.493 2.679 20 10 FFCDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405138 1005813265 /nfs/dbraw/zinc/81/32/65/1005813265.db2.gz ICNQCHUCDJKEFW-UHFFFAOYSA-N 1 0 353.466 2.896 20 10 FFCDRO Cn1nc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc21 ZINC000850405865 1005813748 /nfs/dbraw/zinc/81/37/48/1005813748.db2.gz IGNRBNGBFTXHBH-UHFFFAOYSA-N 1 0 350.466 2.824 20 10 FFCDRO O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000850414997 1005814014 /nfs/dbraw/zinc/81/40/14/1005814014.db2.gz IWBHGAMHZFVSEM-IAGOWNOFSA-N 1 0 368.433 2.952 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000109347496 1005816602 /nfs/dbraw/zinc/81/66/02/1005816602.db2.gz UCSTUNYUANYXII-UWJYYQICSA-N 1 0 365.477 2.979 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000850482783 1005817995 /nfs/dbraw/zinc/81/79/95/1005817995.db2.gz RFPIMJIBIHOMDS-FUHWJXTLSA-N 1 0 359.466 2.980 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000850488876 1005818493 /nfs/dbraw/zinc/81/84/93/1005818493.db2.gz VMVZNIKKROBRBK-WIYYLYMNSA-N 1 0 359.514 2.507 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)c1 ZINC000850556117 1005822012 /nfs/dbraw/zinc/82/20/12/1005822012.db2.gz QWRYGJBNUJJQFA-PGRDOPGGSA-N 1 0 370.493 2.615 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)cc1 ZINC000851629390 1005900834 /nfs/dbraw/zinc/90/08/34/1005900834.db2.gz INSVXPRBYKGCNS-FQEVSTJZSA-N 1 0 351.450 2.578 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)cc1 ZINC000851640323 1005902014 /nfs/dbraw/zinc/90/20/14/1005902014.db2.gz SYAROBGAWHKPGU-CEFRRICQSA-N 1 0 357.498 2.544 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)nc1)c1ccc(N2CCOCC2)cc1 ZINC000851896191 1005921337 /nfs/dbraw/zinc/92/13/37/1005921337.db2.gz IEKFVOKOKUCZPE-AWEZNQCLSA-N 1 0 374.872 2.861 20 10 FFCDRO COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881378774 1006072020 /nfs/dbraw/zinc/07/20/20/1006072020.db2.gz ISCYXFSPANQULB-GOSISDBHSA-N 1 0 357.502 2.531 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3=CCCC3)CC2)cc1 ZINC000852634895 1006117169 /nfs/dbraw/zinc/11/71/69/1006117169.db2.gz QBRCZHTVZUNKSD-UHFFFAOYSA-N 1 0 372.513 2.617 20 10 FFCDRO CC(=O)[C@H](C)CCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851030 1006242827 /nfs/dbraw/zinc/24/28/27/1006242827.db2.gz NKTMVISDBLNALB-QGZVFWFLSA-N 1 0 359.514 2.840 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc2)CC1 ZINC000881854548 1006244176 /nfs/dbraw/zinc/24/41/76/1006244176.db2.gz GDHJRTONUGOWME-BHDDXSALSA-N 1 0 361.489 2.641 20 10 FFCDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121505 1006305138 /nfs/dbraw/zinc/30/51/38/1006305138.db2.gz FXIOFPQKHSNWJT-OAQYLSRUSA-N 1 0 358.457 2.918 20 10 FFCDRO CN(C(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000853121526 1006305813 /nfs/dbraw/zinc/30/58/13/1006305813.db2.gz GFDVNYZVXSNHKI-UHFFFAOYSA-N 1 0 367.493 2.790 20 10 FFCDRO C[C@@H]1CCCc2ncc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)n21 ZINC001134686277 1006437150 /nfs/dbraw/zinc/43/71/50/1006437150.db2.gz GIQZQUXEUDOVNJ-CRAIPNDOSA-N 1 0 369.513 2.879 20 10 FFCDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c2cnn(C)c2n1 ZINC000882879776 1006544334 /nfs/dbraw/zinc/54/43/34/1006544334.db2.gz MDZYCAISIDCPHF-UHFFFAOYSA-N 1 0 350.470 2.641 20 10 FFCDRO O=c1oc2ccc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)cc2o1 ZINC000882904169 1006552269 /nfs/dbraw/zinc/55/22/69/1006552269.db2.gz RUIJJHCUNZYINJ-UHFFFAOYSA-N 1 0 358.369 2.652 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNCc3ccn(-c4ccccc4)n3)cc2)CC1 ZINC000883283531 1006729913 /nfs/dbraw/zinc/72/99/13/1006729913.db2.gz IVFKGEXKUCCSRR-UHFFFAOYSA-N 1 0 361.493 2.914 20 10 FFCDRO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCCCCC2)cc1 ZINC000854231233 1006734921 /nfs/dbraw/zinc/73/49/21/1006734921.db2.gz HLOPQAFABQFHFB-HNNXBMFYSA-N 1 0 355.486 2.872 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000854297245 1006762957 /nfs/dbraw/zinc/76/29/57/1006762957.db2.gz LFPMAADQLZAKBI-UBLGTCEWSA-N 1 0 372.513 2.541 20 10 FFCDRO Cc1noc(C)c1[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883411509 1006783302 /nfs/dbraw/zinc/78/33/02/1006783302.db2.gz ZWMAYEDRBKCYJF-CQSZACIVSA-N 1 0 371.485 2.604 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000883727403 1006970651 /nfs/dbraw/zinc/97/06/51/1006970651.db2.gz SUUFWFZDIYAXPT-INIZCTEOSA-N 1 0 366.456 2.673 20 10 FFCDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000132947799 1007026988 /nfs/dbraw/zinc/02/69/88/1007026988.db2.gz UYJQDZRTAYEQNJ-UHFFFAOYSA-N 1 0 369.377 2.758 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000775254399 1007102084 /nfs/dbraw/zinc/10/20/84/1007102084.db2.gz IHGRLSZBCZICCI-OAHLLOKOSA-N 1 0 357.429 2.952 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775257049 1007110127 /nfs/dbraw/zinc/11/01/27/1007110127.db2.gz DUYSKQMLYICRFK-IAGOWNOFSA-N 1 0 371.525 2.963 20 10 FFCDRO C[C@H](NCc1nc(CC(F)(F)F)no1)c1ccc(N2CCOCC2)cc1 ZINC000775257387 1007124962 /nfs/dbraw/zinc/12/49/62/1007124962.db2.gz JATIBXLVCGOPFE-LBPRGKRZSA-N 1 0 370.375 2.862 20 10 FFCDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000816637742 1007141923 /nfs/dbraw/zinc/14/19/23/1007141923.db2.gz NACHKUCQLVOSDH-FQEVSTJZSA-N 1 0 373.472 2.907 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cc2)CC1 ZINC000816657770 1007152799 /nfs/dbraw/zinc/15/27/99/1007152799.db2.gz ZIZKZDNMDYXSBL-NRFANRHFSA-N 1 0 355.526 2.829 20 10 FFCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203620 1007312511 /nfs/dbraw/zinc/31/25/11/1007312511.db2.gz ALZQMSSZDBYTNN-MRXNPFEDSA-N 1 0 367.440 2.619 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)c1 ZINC000775372802 1007578755 /nfs/dbraw/zinc/57/87/55/1007578755.db2.gz JGDPJOMOTIYNJV-LBPRGKRZSA-N 1 0 360.458 2.721 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCCCC1 ZINC000856211374 1007727806 /nfs/dbraw/zinc/72/78/06/1007727806.db2.gz NVABKFUGNAUYLC-QGZVFWFLSA-N 1 0 359.514 2.528 20 10 FFCDRO Cc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000818021290 1007843785 /nfs/dbraw/zinc/84/37/85/1007843785.db2.gz XDGRBCKUNNVILT-UHFFFAOYSA-N 1 0 355.482 2.637 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)nnn4C)C2)cc1 ZINC000818222292 1007887906 /nfs/dbraw/zinc/88/79/06/1007887906.db2.gz SEJFFFQGDIKNGP-INIZCTEOSA-N 1 0 351.454 2.593 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000818222649 1007888480 /nfs/dbraw/zinc/88/84/80/1007888480.db2.gz VFBMJVYZJOTTHT-QGZVFWFLSA-N 1 0 374.506 2.715 20 10 FFCDRO CCCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC[NH2+]CC1 ZINC000818658040 1007962241 /nfs/dbraw/zinc/96/22/41/1007962241.db2.gz NRBFLDJALODLMH-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000818996210 1008003679 /nfs/dbraw/zinc/00/36/79/1008003679.db2.gz CUANIIBSBFHGET-FQEVSTJZSA-N 1 0 369.461 2.673 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(F)c(C)c3)cc2F)CC1 ZINC000857586188 1008165743 /nfs/dbraw/zinc/16/57/43/1008165743.db2.gz PHSCMAJQWSXBBU-UHFFFAOYSA-N 1 0 374.435 2.740 20 10 FFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858092467 1008299793 /nfs/dbraw/zinc/29/97/93/1008299793.db2.gz DVPRTRAUCGQMHE-SFHVURJKSA-N 1 0 366.408 2.871 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000858119351 1008304826 /nfs/dbraw/zinc/30/48/26/1008304826.db2.gz OBLBMIPNQAPCNS-INIZCTEOSA-N 1 0 353.466 2.947 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c(O)c1 ZINC000858280546 1008338986 /nfs/dbraw/zinc/33/89/86/1008338986.db2.gz WJFCWSDRPVBBGV-HNNXBMFYSA-N 1 0 366.458 2.516 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)cc1 ZINC000858292920 1008341414 /nfs/dbraw/zinc/34/14/14/1008341414.db2.gz ODRRMNURPTZYOB-UHFFFAOYSA-N 1 0 359.514 2.902 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(O)c1C ZINC000858565703 1008383207 /nfs/dbraw/zinc/38/32/07/1008383207.db2.gz XNHLJJJTDRWWFV-MJGOQNOKSA-N 1 0 355.482 2.956 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1Cn1cccn1 ZINC000886236496 1008608585 /nfs/dbraw/zinc/60/85/85/1008608585.db2.gz JHKGNVIENMIUQM-FQEVSTJZSA-N 1 0 369.440 2.772 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000777117653 1008627974 /nfs/dbraw/zinc/62/79/74/1008627974.db2.gz XUKWFUWYQMZYFY-VCBZYWHSSA-N 1 0 355.486 2.721 20 10 FFCDRO COc1cc(F)cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886324962 1008637473 /nfs/dbraw/zinc/63/74/73/1008637473.db2.gz NYYLXEPBVBCICB-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cnn(C)c1 ZINC000886509008 1008708316 /nfs/dbraw/zinc/70/83/16/1008708316.db2.gz XHVUAGQTLATWCW-XLIONFOSSA-N 1 0 369.513 2.609 20 10 FFCDRO CCC1([NH+]2CCC2)CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000886707988 1008837849 /nfs/dbraw/zinc/83/78/49/1008837849.db2.gz ZGLJHNRAZWBFDV-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1O ZINC000117340668 1008926143 /nfs/dbraw/zinc/92/61/43/1008926143.db2.gz WHMRUZDCDSRZOR-UHFFFAOYSA-N 1 0 357.366 2.730 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(F)(F)F)cc2F)CC1 ZINC000823162155 1008951100 /nfs/dbraw/zinc/95/11/00/1008951100.db2.gz QHJQONUDJBJVLD-ZIAGYGMSSA-N 1 0 373.394 2.782 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H](C)[NH+]3CCCCC3)C2)cc1 ZINC000823243755 1008989826 /nfs/dbraw/zinc/98/98/26/1008989826.db2.gz POXQFEQSQHLZAO-ROUUACIJSA-N 1 0 374.529 2.695 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823247471 1008994054 /nfs/dbraw/zinc/99/40/54/1008994054.db2.gz GBORCXJALBYISS-DLBZAZTESA-N 1 0 362.518 2.551 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1O ZINC000823637799 1009151927 /nfs/dbraw/zinc/15/19/27/1009151927.db2.gz PQWXJSUAJRSFQC-LJQANCHMSA-N 1 0 365.445 2.781 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C ZINC000823726413 1009204657 /nfs/dbraw/zinc/20/46/57/1009204657.db2.gz TVQYWSHVKSSINY-FGTMMUONSA-N 1 0 374.529 2.646 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NOC2CC[NH+](C)CC2)c1 ZINC000861550589 1009459458 /nfs/dbraw/zinc/45/94/58/1009459458.db2.gz OLCKCSKOAQXBFF-UHFFFAOYSA-N 1 0 355.438 2.662 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000861583358 1009474053 /nfs/dbraw/zinc/47/40/53/1009474053.db2.gz RZNAZLAOXACYHQ-GDBMZVCRSA-N 1 0 372.435 2.730 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1F ZINC000118641479 1009643597 /nfs/dbraw/zinc/64/35/97/1009643597.db2.gz WXQAUHRJFKZYGW-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000862754290 1009958136 /nfs/dbraw/zinc/95/81/36/1009958136.db2.gz WTVLGKZCAAVOJS-RBUKOAKNSA-N 1 0 370.497 2.564 20 10 FFCDRO C[N@H+](CCC(=O)N1CCCc2cc(O)c(O)cc2C1)Cc1ccccc1 ZINC001181140508 1009989365 /nfs/dbraw/zinc/98/93/65/1009989365.db2.gz WGXPQRCQSOMPFU-UHFFFAOYSA-N 1 0 354.450 2.895 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(CC(F)(F)F)C3)cc2)CC1 ZINC000889667036 1010048107 /nfs/dbraw/zinc/04/81/07/1010048107.db2.gz XTWPCFZATXOHLG-UHFFFAOYSA-N 1 0 370.419 2.532 20 10 FFCDRO Cc1cc(CNC(=O)c2ccn(CC[NH+](C)C)n2)c(C)n1-c1ccccc1 ZINC000863163933 1010118791 /nfs/dbraw/zinc/11/87/91/1010118791.db2.gz UGMDASKKNIIKMH-UHFFFAOYSA-N 1 0 365.481 2.782 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@H]2C)cc1C ZINC001093659944 1010427246 /nfs/dbraw/zinc/42/72/46/1010427246.db2.gz NLHYWBIMLMLIQT-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO COc1cccc(C[NH2+]CCC2(O)CCN(c3ccccc3)CC2)c1O ZINC000865689483 1010841933 /nfs/dbraw/zinc/84/19/33/1010841933.db2.gz HYHGSLVWRWPLSZ-UHFFFAOYSA-N 1 0 356.466 2.912 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c(O)c1 ZINC000865816318 1010868649 /nfs/dbraw/zinc/86/86/49/1010868649.db2.gz FUCYQPYHNJXWCA-UHFFFAOYSA-N 1 0 355.438 2.606 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1cc(Cl)ccc1O ZINC000866521283 1011008340 /nfs/dbraw/zinc/00/83/40/1011008340.db2.gz JGLYWZGRXUDPRD-LBPRGKRZSA-N 1 0 373.840 2.948 20 10 FFCDRO CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(C(F)(F)F)cc1O ZINC000866522779 1011009701 /nfs/dbraw/zinc/00/97/01/1011009701.db2.gz YYNDDEHGKLTANN-BBRMVZONSA-N 1 0 374.359 2.673 20 10 FFCDRO C[C@@H](NC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1O ZINC000868091798 1011163910 /nfs/dbraw/zinc/16/39/10/1011163910.db2.gz NVIPIRBEYGJILF-MRXNPFEDSA-N 1 0 369.465 2.785 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)C2)cc1 ZINC000868177750 1011190987 /nfs/dbraw/zinc/19/09/87/1011190987.db2.gz FSYZJZWFHJFOJX-LSTHTHJFSA-N 1 0 366.465 2.910 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)[C@@H](C)C1 ZINC000868263165 1011220702 /nfs/dbraw/zinc/22/07/02/1011220702.db2.gz LDVJTKUCHUSEBB-LZLYRXPVSA-N 1 0 363.502 2.889 20 10 FFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)cc1O ZINC001171505405 1011362218 /nfs/dbraw/zinc/36/22/18/1011362218.db2.gz IZKPXDNFPMGJIU-LLVKDONJSA-N 1 0 353.340 2.910 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001171685848 1011442398 /nfs/dbraw/zinc/44/23/98/1011442398.db2.gz PLVWBGLBGPHIOW-MRXNPFEDSA-N 1 0 359.470 2.912 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NC3CCC(C)([NH+](C)C)CC3)C2)cc1 ZINC000868761821 1011461937 /nfs/dbraw/zinc/46/19/37/1011461937.db2.gz HPKVGXHUGYRGPN-BQIYRTECSA-N 1 0 374.529 2.836 20 10 FFCDRO O=C(C[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001171873528 1011493276 /nfs/dbraw/zinc/49/32/76/1011493276.db2.gz OFKWFKCNLRZPCF-KRWDZBQOSA-N 1 0 368.433 2.565 20 10 FFCDRO CCCCN1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275026627 1011826867 /nfs/dbraw/zinc/82/68/67/1011826867.db2.gz NVGJOPCLCQJHPC-NRFANRHFSA-N 1 0 357.498 2.740 20 10 FFCDRO O=C1N(CCC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1cc(O)ccc1O ZINC001275035626 1011843939 /nfs/dbraw/zinc/84/39/39/1011843939.db2.gz ZLKBBIMNGFBAPH-INIZCTEOSA-N 1 0 358.360 2.617 20 10 FFCDRO O=C(NCC1CCOCC1)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001275232590 1012114471 /nfs/dbraw/zinc/11/44/71/1012114471.db2.gz UEMDJQCRZKZZBV-GOSISDBHSA-N 1 0 358.482 2.537 20 10 FFCDRO CC(C)CN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)OCC1=O ZINC001275253465 1012149164 /nfs/dbraw/zinc/14/91/64/1012149164.db2.gz BDWKQFJBRBXDGF-GOSISDBHSA-N 1 0 352.862 2.505 20 10 FFCDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001173146035 1012292884 /nfs/dbraw/zinc/29/28/84/1012292884.db2.gz VCLZDKMAGBGDBP-KRWDZBQOSA-N 1 0 354.450 2.625 20 10 FFCDRO CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275599147 1012671699 /nfs/dbraw/zinc/67/16/99/1012671699.db2.gz YUVDDIQACAPXQQ-HRAATJIYSA-N 1 0 357.498 2.687 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CC(=O)N(CC(F)F)C3=O)C2)c1O ZINC001275775954 1012993119 /nfs/dbraw/zinc/99/31/19/1012993119.db2.gz ZSYDOPHFEUUBQL-IBGZPJMESA-N 1 0 366.408 2.615 20 10 FFCDRO COc1cccc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000925047117 1017594808 /nfs/dbraw/zinc/59/48/08/1017594808.db2.gz URTSTSHRMWUINY-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO Cc1nnc(CN2CC[NH+](Cc3ccc(N4CCCCC4)c(C)c3)CC2)[nH]1 ZINC000828468266 1032712290 /nfs/dbraw/zinc/71/22/90/1032712290.db2.gz NTBMOLKYLFWGIR-UHFFFAOYSA-N 1 0 368.529 2.730 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2F)C[C@@H](C)O1 ZINC000827365316 1017776570 /nfs/dbraw/zinc/77/65/70/1017776570.db2.gz OYGXFLFIFSQTQJ-SXGZJXTBSA-N 1 0 371.456 2.756 20 10 FFCDRO CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H](C)[NH3+] ZINC000827365750 1017781932 /nfs/dbraw/zinc/78/19/32/1017781932.db2.gz WUAUDWPGVNFTLS-NXEZDXNNSA-N 1 0 365.493 2.675 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925817269 1017861650 /nfs/dbraw/zinc/86/16/50/1017861650.db2.gz OGCATEHQISKJPQ-HNNXBMFYSA-N 1 0 370.453 2.556 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)ccc1N1CCCCC1 ZINC000828533703 1032743203 /nfs/dbraw/zinc/74/32/03/1032743203.db2.gz IUTVYFBRULJNMJ-UHFFFAOYSA-N 1 0 370.497 2.502 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)cc2)CC1 ZINC000926874238 1018277092 /nfs/dbraw/zinc/27/70/92/1018277092.db2.gz RNTQIITTXPNTCK-PZJWPPBQSA-N 1 0 371.525 2.683 20 10 FFCDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000827751138 1018638735 /nfs/dbraw/zinc/63/87/35/1018638735.db2.gz SKSOKYNWGVXUGA-AZUAARDMSA-N 1 0 364.461 2.874 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222149423 1032788092 /nfs/dbraw/zinc/78/80/92/1032788092.db2.gz YRWDPCUIFFNGNJ-HNNXBMFYSA-N 1 0 372.250 2.572 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2COC[C@H]2C)C1 ZINC000928908976 1019174452 /nfs/dbraw/zinc/17/44/52/1019174452.db2.gz JYVMDNSAOFEORA-QAPCUYQASA-N 1 0 355.482 2.559 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCN(C(C)=O)CC3(C)C)cc2)CC1 ZINC000828711596 1032813307 /nfs/dbraw/zinc/81/33/07/1032813307.db2.gz JICRKQQDBULRAF-UHFFFAOYSA-N 1 0 359.514 2.745 20 10 FFCDRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000389811225 1019696296 /nfs/dbraw/zinc/69/62/96/1019696296.db2.gz ZFQNTFOFVWIQJB-GXTWGEPZSA-N 1 0 364.442 2.856 20 10 FFCDRO CN(C)c1ccc([C@@H](CN2C(=O)CN(C3CCCC3)C2=O)[NH+](C)C)cc1 ZINC000900184752 1020248754 /nfs/dbraw/zinc/24/87/54/1020248754.db2.gz GBKBOBPBDFNZLM-GOSISDBHSA-N 1 0 358.486 2.562 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(N)c3)cc2F)CC1 ZINC000828876327 1032887172 /nfs/dbraw/zinc/88/71/72/1032887172.db2.gz CFORPFAIAVFBSL-UHFFFAOYSA-N 1 0 374.435 2.619 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCOc4cccc(F)c4C3)cc2)CC1 ZINC000802657046 1020298488 /nfs/dbraw/zinc/29/84/88/1020298488.db2.gz XRWZRQXBXPPUTJ-UHFFFAOYSA-N 1 0 355.457 2.972 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCNC(=O)/C=C\c2ccccc2)cc1OC ZINC000800544587 1020393494 /nfs/dbraw/zinc/39/34/94/1020393494.db2.gz MSLPZFHMVMZCHX-KTKRTIGZSA-N 1 0 370.449 2.719 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000726985094 1020564899 /nfs/dbraw/zinc/56/48/99/1020564899.db2.gz GQRWIAAVTMUASK-GOSISDBHSA-N 1 0 368.525 2.768 20 10 FFCDRO C[C@H](NCc1cc(N(C)C)cc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000903201806 1020736424 /nfs/dbraw/zinc/73/64/24/1020736424.db2.gz NWBIJEOTKKQCKK-HNNXBMFYSA-N 1 0 358.461 2.974 20 10 FFCDRO CC(C)O[C@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000903361418 1020805243 /nfs/dbraw/zinc/80/52/43/1020805243.db2.gz SHQYJQFUJRYFEE-UZLBHIALSA-N 1 0 366.477 2.897 20 10 FFCDRO C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000829003103 1032940426 /nfs/dbraw/zinc/94/04/26/1032940426.db2.gz JAXKDPQQJHULFY-LMMKCTJWSA-N 1 0 360.498 2.926 20 10 FFCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001218024812 1032959929 /nfs/dbraw/zinc/95/99/29/1032959929.db2.gz BWTIUXVMLYIJMK-MLGOLLRUSA-N 1 0 351.402 2.935 20 10 FFCDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC001116443461 1021220076 /nfs/dbraw/zinc/22/00/76/1021220076.db2.gz WNIORKHKNHDBNP-LLVKDONJSA-N 1 0 353.260 2.645 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccnn3C3CCC3)cc2)CC1 ZINC000934729330 1021373487 /nfs/dbraw/zinc/37/34/87/1021373487.db2.gz LOQQVAKJRISBEC-UHFFFAOYSA-N 1 0 368.485 2.682 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H](CO)c3ccc(F)cc3)cc2F)CC1 ZINC001117748074 1021856014 /nfs/dbraw/zinc/85/60/14/1021856014.db2.gz YDWHKFUQTMUOST-LJQANCHMSA-N 1 0 361.436 2.540 20 10 FFCDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000381425065 1022021448 /nfs/dbraw/zinc/02/14/48/1022021448.db2.gz BIMSQUKLACSMNQ-HOTGVXAUSA-N 1 0 363.502 2.915 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)C[NH2+]C ZINC001118032854 1022034324 /nfs/dbraw/zinc/03/43/24/1022034324.db2.gz YKBYIDGJTBHSBZ-LLVKDONJSA-N 1 0 358.280 2.542 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4cccnc4)C3)cc2F)CC1 ZINC001118202268 1022116994 /nfs/dbraw/zinc/11/69/94/1022116994.db2.gz UFZJCGIPFVYJKX-IBGZPJMESA-N 1 0 354.473 2.962 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccccc1O ZINC000155562645 1022266348 /nfs/dbraw/zinc/26/63/48/1022266348.db2.gz QVWMKEVWSBHEGO-OXJNMPFZSA-N 1 0 353.422 2.688 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)C(F)(F)F)cc2)CC1 ZINC001119454237 1022781472 /nfs/dbraw/zinc/78/14/72/1022781472.db2.gz WALPEHRXLFBRIV-UHFFFAOYSA-N 1 0 358.408 2.579 20 10 FFCDRO [NH3+]C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C(F)(F)F ZINC001119472302 1022794363 /nfs/dbraw/zinc/79/43/63/1022794363.db2.gz YUGMHXFOVFDXKQ-HOCLYGCPSA-N 1 0 370.419 2.565 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4ncccc4o3)cc2)CC1 ZINC000829297026 1033086170 /nfs/dbraw/zinc/08/61/70/1033086170.db2.gz UOZDXBATMLKKQE-UHFFFAOYSA-N 1 0 350.422 2.510 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC4(CCN(C)C4=O)CC3)cc2)CC1 ZINC000829297962 1033087275 /nfs/dbraw/zinc/08/72/75/1033087275.db2.gz LEDKXGKAYWFRBT-UHFFFAOYSA-N 1 0 371.525 2.746 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)[NH+](C)C)cc1 ZINC001122328848 1023192262 /nfs/dbraw/zinc/19/22/62/1023192262.db2.gz XGJGOVPMNDSJQY-RTWAWAEBSA-N 1 0 366.509 2.706 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)c(O)c1OC ZINC001120020305 1023210255 /nfs/dbraw/zinc/21/02/55/1023210255.db2.gz MRIPEEGEEOQPCD-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@H](C)[C@H]3CC[NH3+])C2)cc1 ZINC001120634604 1023396857 /nfs/dbraw/zinc/39/68/57/1023396857.db2.gz TVHRKOKDQOJPAV-MBOZVWFJSA-N 1 0 374.529 2.680 20 10 FFCDRO COC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCCC1 ZINC000754284284 1023450149 /nfs/dbraw/zinc/45/01/49/1023450149.db2.gz ZXAPHZGWGSFNCD-UHFFFAOYSA-N 1 0 371.525 2.794 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1C[NH2+]CCC13CC3)C(=O)c1ccccc1C2=O ZINC001218403803 1033139703 /nfs/dbraw/zinc/13/97/03/1033139703.db2.gz KWCZBEKSHWYNSH-QGZVFWFLSA-N 1 0 363.413 2.997 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cc[nH]c2)ccc1N1CCN(c2ncccn2)CC1 ZINC000754880947 1023532573 /nfs/dbraw/zinc/53/25/73/1023532573.db2.gz BHMAUNVJBKZVOW-UHFFFAOYSA-N 1 0 366.444 2.560 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC=CCC3)cc2F)CC1 ZINC000077594406 1023642310 /nfs/dbraw/zinc/64/23/10/1023642310.db2.gz POHVSNMHHYQBKI-QGZVFWFLSA-N 1 0 360.477 2.876 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756400066 1023704574 /nfs/dbraw/zinc/70/45/74/1023704574.db2.gz APISBRRWEFZPEL-XJKSGUPXSA-N 1 0 363.477 2.660 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(F)ccc1O ZINC000756457537 1023713958 /nfs/dbraw/zinc/71/39/58/1023713958.db2.gz RICRXMVPGDTGGB-SWLSCSKDSA-N 1 0 374.412 2.507 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000756469810 1023715669 /nfs/dbraw/zinc/71/56/69/1023715669.db2.gz KEFAWELVZFNSLL-OAHLLOKOSA-N 1 0 370.449 2.724 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c1 ZINC000756527012 1023722836 /nfs/dbraw/zinc/72/28/36/1023722836.db2.gz VIUJTVVGEZTSMI-XCLFUZPHSA-N 1 0 353.422 2.606 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000756588225 1023732062 /nfs/dbraw/zinc/73/20/62/1023732062.db2.gz GPBUNSNNLXMIGZ-QZTJIDSGSA-N 1 0 354.498 2.957 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c2c1c(F)ccc2O ZINC000756731694 1023751043 /nfs/dbraw/zinc/75/10/43/1023751043.db2.gz HYVNDYUXJSDTSJ-KWCYVHTRSA-N 1 0 358.417 2.598 20 10 FFCDRO CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)O1 ZINC000756931547 1023770703 /nfs/dbraw/zinc/77/07/03/1023770703.db2.gz JOKOLKMIBKGGOW-VQIMIIECSA-N 1 0 363.477 2.541 20 10 FFCDRO CCOC(=O)C1CC[NH+](C2CCN(Cc3c(O)cccc3F)CC2)CC1 ZINC001137833106 1033166646 /nfs/dbraw/zinc/16/66/46/1033166646.db2.gz SVASZWKUBHUHIT-UHFFFAOYSA-N 1 0 364.461 2.771 20 10 FFCDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779503695 1023944794 /nfs/dbraw/zinc/94/47/94/1023944794.db2.gz SWPDNCXOSVQEMF-WMZJFQQLSA-N 1 0 369.421 2.640 20 10 FFCDRO Cc1noc(C)c1CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001121830055 1024077393 /nfs/dbraw/zinc/07/73/93/1024077393.db2.gz QURKGMGUFXCVPE-IBGZPJMESA-N 1 0 373.501 2.502 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccc(F)cc1 ZINC000758522266 1024153238 /nfs/dbraw/zinc/15/32/38/1024153238.db2.gz KBBPZLSZFJGYAU-VXKWHMMOSA-N 1 0 370.468 2.918 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3c(F)ccnc3Cl)cc2)CC1 ZINC001123991704 1024207738 /nfs/dbraw/zinc/20/77/38/1024207738.db2.gz MMAKTPNSPRXALN-UHFFFAOYSA-N 1 0 362.836 2.556 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cn3cc(C[NH3+])ccc3n2)cc1 ZINC001121981455 1024231887 /nfs/dbraw/zinc/23/18/87/1024231887.db2.gz LPROUQMYMVZTKC-UHFFFAOYSA-N 1 0 365.481 2.911 20 10 FFCDRO CN(CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000779597766 1024248225 /nfs/dbraw/zinc/24/82/25/1024248225.db2.gz VYXDRVVGURUYIE-UHFFFAOYSA-N 1 0 363.502 2.822 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000758738620 1024278602 /nfs/dbraw/zinc/27/86/02/1024278602.db2.gz DZAVSZYVIKCKDP-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO CCC1(CC)[C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000759585125 1024674334 /nfs/dbraw/zinc/67/43/34/1024674334.db2.gz XTFZEDAJWICSAQ-OALUTQOASA-N 1 0 361.530 2.894 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC34CCC4)CC2)cc1 ZINC000759695287 1024726614 /nfs/dbraw/zinc/72/66/14/1024726614.db2.gz YPMMDTBPAARXOG-IBGZPJMESA-N 1 0 357.498 2.514 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](F)[C@](O)(C(F)(F)F)CC3)ccc21 ZINC001141140154 1025507289 /nfs/dbraw/zinc/50/72/89/1025507289.db2.gz IVXWDTPXJABNNW-HOTGVXAUSA-N 1 0 362.367 2.743 20 10 FFCDRO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4c(c3)OCCN4C)O2)n1 ZINC001141140167 1025508123 /nfs/dbraw/zinc/50/81/23/1025508123.db2.gz BKTXVWOTSRWOSJ-KURKYZTESA-N 1 0 370.453 2.701 20 10 FFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141145355 1025521040 /nfs/dbraw/zinc/52/10/40/1025521040.db2.gz AHKGVXSUFPAWKW-INIZCTEOSA-N 1 0 355.438 2.572 20 10 FFCDRO Cc1cc(OC2CC[NH+](Cc3ccc4c(c3)OCCN4C)CC2)ncn1 ZINC001141145380 1025521257 /nfs/dbraw/zinc/52/12/57/1025521257.db2.gz BDKCICWJOYNGOG-UHFFFAOYSA-N 1 0 354.454 2.657 20 10 FFCDRO Cc1cccc(N2CCC[N@@H+](Cc3ccc4c(c3)OCCN4C)CC2)n1 ZINC001141145341 1025521753 /nfs/dbraw/zinc/52/17/53/1025521753.db2.gz USBJGLSPUYFUAV-UHFFFAOYSA-N 1 0 352.482 2.931 20 10 FFCDRO CC[N@@H+](Cc1cc(O)ccc1O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001141162903 1025545649 /nfs/dbraw/zinc/54/56/49/1025545649.db2.gz KEGDJHILYKULNE-FQEVSTJZSA-N 1 0 356.466 2.821 20 10 FFCDRO C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000246796502 1026452378 /nfs/dbraw/zinc/45/23/78/1026452378.db2.gz DJTZBIWWHPKARL-ARFHVFGLSA-N 1 0 363.477 2.540 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc(F)c1N1CCOCC1 ZINC000839146424 1026605806 /nfs/dbraw/zinc/60/58/06/1026605806.db2.gz GYAOVJFNKBNQOT-UHFFFAOYSA-N 1 0 358.392 2.968 20 10 FFCDRO Fc1cc(C[NH2+]Cc2[nH]nc3ccccc32)cc(F)c1N1CCOCC1 ZINC000839146840 1026606040 /nfs/dbraw/zinc/60/60/40/1026606040.db2.gz XEIMWXLGIKEQQU-UHFFFAOYSA-N 1 0 358.392 2.968 20 10 FFCDRO CC(C)(C)c1cc(C[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c(C(C)(C)C)c1 ZINC000839178661 1026612780 /nfs/dbraw/zinc/61/27/80/1026612780.db2.gz HATQROHAKIZTAO-MRXNPFEDSA-N 1 0 360.502 2.729 20 10 FFCDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000839494460 1026700479 /nfs/dbraw/zinc/70/04/79/1026700479.db2.gz LXUMRPCRJNQRCZ-HMXCVIKNSA-N 1 0 373.541 2.894 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)COCc2ccccc2)cc1 ZINC000839591981 1026750582 /nfs/dbraw/zinc/75/05/82/1026750582.db2.gz NLRGAOAWRXNNKJ-UHFFFAOYSA-N 1 0 369.509 2.954 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000840257084 1027023063 /nfs/dbraw/zinc/02/30/63/1027023063.db2.gz XLXJVCGGRPJXMY-QRFRQXIXSA-N 1 0 358.530 2.918 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000840321808 1027048150 /nfs/dbraw/zinc/04/81/50/1027048150.db2.gz OUHWPGYVDHPAJQ-FTRWYGJKSA-N 1 0 358.530 2.774 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000840479241 1027088191 /nfs/dbraw/zinc/08/81/91/1027088191.db2.gz MTHHCBCELMIVFY-FXAWDEMLSA-N 1 0 356.514 2.648 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000840479830 1027088832 /nfs/dbraw/zinc/08/88/32/1027088832.db2.gz RXIAGFPSQKZTHT-XLIONFOSSA-N 1 0 358.530 2.872 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC001158716337 1027105165 /nfs/dbraw/zinc/10/51/65/1027105165.db2.gz AVLXNSIUHCFAJT-IBGZPJMESA-N 1 0 353.466 2.720 20 10 FFCDRO Fc1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(F)c1N1CCOCC1 ZINC000840759796 1027241779 /nfs/dbraw/zinc/24/17/79/1027241779.db2.gz NPHNUAOLMVDCSS-UHFFFAOYSA-N 1 0 368.424 2.577 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1 ZINC000092614592 1027380542 /nfs/dbraw/zinc/38/05/42/1027380542.db2.gz SODWNNBJBGNDMU-UHFFFAOYSA-N 1 0 366.412 2.700 20 10 FFCDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795707113 1027895214 /nfs/dbraw/zinc/89/52/14/1027895214.db2.gz XRPHXTIQHVTHKG-KRWDZBQOSA-N 1 0 367.405 2.543 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cncn4C)C3)C2)cc1 ZINC001204382321 1028092541 /nfs/dbraw/zinc/09/25/41/1028092541.db2.gz JCXPAQQWMPHJBE-NRFANRHFSA-N 1 0 370.497 2.548 20 10 FFCDRO CN(C)C(=O)c1ccc(CN(C)c2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000780780045 1028808907 /nfs/dbraw/zinc/80/89/07/1028808907.db2.gz IKJOLVGGMIYSRU-UHFFFAOYSA-N 1 0 370.497 2.828 20 10 FFCDRO CN(Cc1cnc2cnccn12)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000780779793 1028809133 /nfs/dbraw/zinc/80/91/33/1028809133.db2.gz AUUAQSHCLZAPBO-UHFFFAOYSA-N 1 0 351.454 2.840 20 10 FFCDRO C[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000780825159 1028825554 /nfs/dbraw/zinc/82/55/54/1028825554.db2.gz OIVNBQPJKCPQJV-KRWDZBQOSA-N 1 0 374.529 2.615 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001163487433 1028941761 /nfs/dbraw/zinc/94/17/61/1028941761.db2.gz OVESJGQRCFVMBH-FQEVSTJZSA-N 1 0 367.497 2.944 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H](F)Oc3ccc(Cl)nc3)cc2)CC1 ZINC001156656401 1029290686 /nfs/dbraw/zinc/29/06/86/1029290686.db2.gz SELHDCSYXSZJDL-GOSISDBHSA-N 1 0 364.852 2.909 20 10 FFCDRO COc1cnc(SC)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656440 1029291559 /nfs/dbraw/zinc/29/15/59/1029291559.db2.gz UAUKBVJUHMQPEW-UHFFFAOYSA-N 1 0 359.499 2.571 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc([N+](=O)[O-])c4cc[nH]c4n3)cc2)CC1 ZINC001156657740 1029292640 /nfs/dbraw/zinc/29/26/40/1029292640.db2.gz PSFHJBJFSHNPAT-UHFFFAOYSA-N 1 0 366.425 2.835 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000840932136 1029931746 /nfs/dbraw/zinc/93/17/46/1029931746.db2.gz YPKWUEBPBQBKMC-UHFFFAOYSA-N 1 0 355.482 2.818 20 10 FFCDRO Cc1nn(C)c2nc(Cl)c(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000841044849 1029998141 /nfs/dbraw/zinc/99/81/41/1029998141.db2.gz ZDWIYZALTREXKK-QGZVFWFLSA-N 1 0 372.904 2.786 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1cccc(F)c1 ZINC000841104646 1030040648 /nfs/dbraw/zinc/04/06/48/1030040648.db2.gz VFYFTNNWOIVNOO-LEWJYISDSA-N 1 0 355.457 2.589 20 10 FFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841264005 1030140230 /nfs/dbraw/zinc/14/02/30/1030140230.db2.gz INPBMZHDHPBOSP-KDOFPFPSSA-N 1 0 363.421 2.861 20 10 FFCDRO CC[NH2+]CC1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000841741799 1030440073 /nfs/dbraw/zinc/44/00/73/1030440073.db2.gz QUIGTYBXRWDSSF-QGZVFWFLSA-N 1 0 374.529 2.615 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC000841760435 1030447877 /nfs/dbraw/zinc/44/78/77/1030447877.db2.gz VONMUNVYGKJLCA-VQTJNVASSA-N 1 0 370.541 2.990 20 10 FFCDRO COC1CC[NH+](C2(CNC(=O)NCCc3ccc(N)cc3)CCCC2)CC1 ZINC000841794334 1030469835 /nfs/dbraw/zinc/46/98/35/1030469835.db2.gz DVGVMJHXMYTYSU-UHFFFAOYSA-N 1 0 374.529 2.534 20 10 FFCDRO CC[NH2+]CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841843886 1030498559 /nfs/dbraw/zinc/49/85/59/1030498559.db2.gz OBMUAGUVANQFDJ-AWEZNQCLSA-N 1 0 370.444 2.556 20 10 FFCDRO CC1(C)CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000784565005 1030686648 /nfs/dbraw/zinc/68/66/48/1030686648.db2.gz LYJLXYUGIPRMCX-HXUWFJFHSA-N 1 0 371.525 2.792 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001203556422 1030765335 /nfs/dbraw/zinc/76/53/35/1030765335.db2.gz PLOAJKQEOOWHMZ-GOSISDBHSA-N 1 0 360.408 2.920 20 10 FFCDRO Oc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001203556709 1030767946 /nfs/dbraw/zinc/76/79/46/1030767946.db2.gz UORLDELQLBFEDN-INIZCTEOSA-N 1 0 350.422 2.695 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1O ZINC001203594096 1030778635 /nfs/dbraw/zinc/77/86/35/1030778635.db2.gz RQNXUXKSYZRKJU-SZVBFZGTSA-N 1 0 370.449 2.854 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001203608485 1030783331 /nfs/dbraw/zinc/78/33/31/1030783331.db2.gz RAGJIUKVDCLHFX-GCJKJVERSA-N 1 0 366.461 2.897 20 10 FFCDRO CCOc1cccc(C[NH+]2CCN(c3ccc(C(=O)OC)cc3)CC2)c1O ZINC001203614356 1030785823 /nfs/dbraw/zinc/78/58/23/1030785823.db2.gz YSXBUJDVAJLIFQ-UHFFFAOYSA-N 1 0 370.449 2.900 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c1O ZINC001203609249 1030786548 /nfs/dbraw/zinc/78/65/48/1030786548.db2.gz DKKAAOIIUBUBEW-UHFFFAOYSA-N 1 0 359.470 2.955 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c(O)c1 ZINC001203623933 1030790722 /nfs/dbraw/zinc/79/07/22/1030790722.db2.gz YMJJLPGOGIZPNO-UHFFFAOYSA-N 1 0 369.465 2.667 20 10 FFCDRO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001203623826 1030791834 /nfs/dbraw/zinc/79/18/34/1030791834.db2.gz WYFNAVQCRWZLKU-MOXGXCLJSA-N 1 0 370.449 2.854 20 10 FFCDRO COc1ccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001203628515 1030794509 /nfs/dbraw/zinc/79/45/09/1030794509.db2.gz AFFZHCKQXZPURO-YLJYHZDGSA-N 1 0 354.450 2.738 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203657319 1030809551 /nfs/dbraw/zinc/80/95/51/1030809551.db2.gz CNEZORMYQJONHH-QGZVFWFLSA-N 1 0 372.918 2.826 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c1 ZINC001203673047 1030816640 /nfs/dbraw/zinc/81/66/40/1030816640.db2.gz LAJWXERCUBRPFX-CEWLAPEOSA-N 1 0 370.449 2.744 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1 ZINC001203670853 1030819518 /nfs/dbraw/zinc/81/95/18/1030819518.db2.gz GCRTVIORRPOSFI-UHFFFAOYSA-N 1 0 372.465 2.861 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001203673414 1030820407 /nfs/dbraw/zinc/82/04/07/1030820407.db2.gz YCBRRFANTDMXIH-XLIONFOSSA-N 1 0 372.440 2.877 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1 ZINC001203675297 1030820909 /nfs/dbraw/zinc/82/09/09/1030820909.db2.gz SVUJYCKQVYNPIH-UHFFFAOYSA-N 1 0 366.461 2.856 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000842643174 1030871513 /nfs/dbraw/zinc/87/15/13/1030871513.db2.gz MPTUTBSNFBKXAW-KRWDZBQOSA-N 1 0 374.403 2.896 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000842784475 1030957026 /nfs/dbraw/zinc/95/70/26/1030957026.db2.gz KCQSNEVJTMAXLD-IBGZPJMESA-N 1 0 373.522 2.610 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)cc1 ZINC001203932014 1030989865 /nfs/dbraw/zinc/98/98/65/1030989865.db2.gz OLOXNQBAQUNLEI-NHCUHLMSSA-N 1 0 364.493 2.913 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)cc1 ZINC001203934061 1030992639 /nfs/dbraw/zinc/99/26/39/1030992639.db2.gz SVEQUBRIAUYTQF-RBBKRZOGSA-N 1 0 364.493 2.676 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)cc1 ZINC001203933822 1030993916 /nfs/dbraw/zinc/99/39/16/1030993916.db2.gz ROEKHHSBBCCSDW-FQEVSTJZSA-N 1 0 371.525 2.604 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ncc(OC)cn3)CC2)cc1 ZINC001203945469 1030999872 /nfs/dbraw/zinc/99/98/72/1030999872.db2.gz MSGJLQTWILZPER-UHFFFAOYSA-N 1 0 355.486 2.654 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@H](O)CCc3ccccc3)cc2)CC1 ZINC000843066095 1031170536 /nfs/dbraw/zinc/17/05/36/1031170536.db2.gz SFUYNOUDLYHTAK-HSZRJFAPSA-N 1 0 368.521 2.979 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3ccc(O)cc3O)CC2)CN1c1ccsc1 ZINC001204273396 1031198121 /nfs/dbraw/zinc/19/81/21/1031198121.db2.gz BLXPSSVAUCSMKM-UHFFFAOYSA-N 1 0 374.462 2.557 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2cnn(CC3CC3)c21 ZINC001204273400 1031198876 /nfs/dbraw/zinc/19/88/76/1031198876.db2.gz BMAIXCAYBITRJL-QGZVFWFLSA-N 1 0 357.454 2.840 20 10 FFCDRO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CC1 ZINC001204274181 1031200585 /nfs/dbraw/zinc/20/05/85/1031200585.db2.gz LBLBNQUHHFLKKI-UHFFFAOYSA-N 1 0 367.449 2.621 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)[C@@H]1c1ccccc1 ZINC001204274780 1031201493 /nfs/dbraw/zinc/20/14/93/1031201493.db2.gz SRHROQOYSHNDIE-IBGZPJMESA-N 1 0 352.434 2.893 20 10 FFCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC001204321699 1031227726 /nfs/dbraw/zinc/22/77/26/1031227726.db2.gz DJKRAHPYXUYNKB-NRSPTQNISA-N 1 0 371.525 2.506 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001204343010 1031237180 /nfs/dbraw/zinc/23/71/80/1031237180.db2.gz WLUVODCOXHLLRH-SMDDNHRTSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204345410 1031240294 /nfs/dbraw/zinc/24/02/94/1031240294.db2.gz QZDQNXOGMWPUNA-ZDUSSCGKSA-N 1 0 366.458 2.795 20 10 FFCDRO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204347794 1031242003 /nfs/dbraw/zinc/24/20/03/1031242003.db2.gz CBLBIBXCLJODID-KUHUBIRLSA-N 1 0 351.443 2.514 20 10 FFCDRO Cc1cc(F)cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000843297274 1031294090 /nfs/dbraw/zinc/29/40/90/1031294090.db2.gz GKPYNZJIYOQNBB-MRXNPFEDSA-N 1 0 360.389 2.538 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000843312015 1031310102 /nfs/dbraw/zinc/31/01/02/1031310102.db2.gz RYNWOZVXWBBSQE-CTNGQTDRSA-N 1 0 366.509 2.897 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@](C)(C[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843381114 1031366979 /nfs/dbraw/zinc/36/69/79/1031366979.db2.gz AIYWFSALDZSWPB-OAQYLSRUSA-N 1 0 369.465 2.676 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCc4cccnc43)cc2)C1 ZINC000798926234 1031586350 /nfs/dbraw/zinc/58/63/50/1031586350.db2.gz ISHBSDODYFLMTG-QUCCMNQESA-N 1 0 364.493 2.951 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@@H](CO)CC2)c(C)n1-c1ccc(F)cn1 ZINC000830048220 1033441435 /nfs/dbraw/zinc/44/14/35/1033441435.db2.gz KANVEOMDIXISKO-MRXNPFEDSA-N 1 0 359.445 2.905 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[NH2+]C[C@H](O)C3)cc2)cc1 ZINC001219203389 1033553833 /nfs/dbraw/zinc/55/38/33/1033553833.db2.gz GZQQTLQQJORBTL-ZUNDHMPPSA-N 1 0 365.477 2.832 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@]3(N)CC[NH2+]C3)cc2)cc1 ZINC001219204056 1033554528 /nfs/dbraw/zinc/55/45/28/1033554528.db2.gz SKXYRYIHACPYEZ-YEFOHOTDSA-N 1 0 350.466 2.552 20 10 FFCDRO Nc1ccc(N(C(=O)[C@@H]2C[NH2+]CCC2=O)c2ccc3ccccc3c2N)cc1 ZINC001219473978 1033660216 /nfs/dbraw/zinc/66/02/16/1033660216.db2.gz MJPRLBIANAMKRT-GOSISDBHSA-N 1 0 374.444 2.848 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830553962 1033673048 /nfs/dbraw/zinc/67/30/48/1033673048.db2.gz FLJCOBPAVWLTCP-SFHVURJKSA-N 1 0 354.450 2.669 20 10 FFCDRO CC(C)[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)[NH3+] ZINC000830659544 1033728068 /nfs/dbraw/zinc/72/80/68/1033728068.db2.gz XVGRYKMOIKQUEV-ZQIUZPCESA-N 1 0 369.456 2.992 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)cc2)CC1 ZINC000830822339 1033799921 /nfs/dbraw/zinc/79/99/21/1033799921.db2.gz GJOWXZVAOVIURB-DWLFOUALSA-N 1 0 374.525 2.664 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC001138216878 1033967686 /nfs/dbraw/zinc/96/76/86/1033967686.db2.gz OFHXUXUTKCOZCP-FGZHOGPDSA-N 1 0 371.525 2.889 20 10 FFCDRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000831511731 1034107607 /nfs/dbraw/zinc/10/76/07/1034107607.db2.gz SLTBTCNFEUNCIW-UHFFFAOYSA-N 1 0 352.482 2.980 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025133 1034165379 /nfs/dbraw/zinc/16/53/79/1034165379.db2.gz BOKYJJRDEAMKJQ-MGPUTAFESA-N 1 0 364.461 2.689 20 10 FFCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)n1 ZINC001138339557 1034170227 /nfs/dbraw/zinc/17/02/27/1034170227.db2.gz HIDUFRXDFXHDRC-HNNXBMFYSA-N 1 0 354.454 2.772 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(NC(=O)C4CCOCC4)CC3)ccc21 ZINC001138357502 1034194615 /nfs/dbraw/zinc/19/46/15/1034194615.db2.gz HAPLXOFGHDQZIR-UHFFFAOYSA-N 1 0 371.525 2.576 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)n1 ZINC001138359708 1034197192 /nfs/dbraw/zinc/19/71/92/1034197192.db2.gz XTWZMPCCXAUHHU-KRWDZBQOSA-N 1 0 354.454 2.521 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)nc1 ZINC001138359739 1034197427 /nfs/dbraw/zinc/19/74/27/1034197427.db2.gz YFVXPIMKLNLRHF-UHFFFAOYSA-N 1 0 352.482 2.795 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(OC)c1 ZINC001138391574 1034227162 /nfs/dbraw/zinc/22/71/62/1034227162.db2.gz GCSHIIWSPVOAFT-APWZRJJASA-N 1 0 359.514 2.984 20 10 FFCDRO CC(C)CN1C(=O)COCC12CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001277056903 1034323982 /nfs/dbraw/zinc/32/39/82/1034323982.db2.gz SBYYZZUSVZNBHS-UHFFFAOYSA-N 1 0 360.498 2.759 20 10 FFCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138680532 1034540170 /nfs/dbraw/zinc/54/01/70/1034540170.db2.gz OKPXCGHUEUDWNY-ZFWWWQNUSA-N 1 0 369.303 2.631 20 10 FFCDRO Oc1c(O)c(O)c(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(O)c1O ZINC001226467675 1034697311 /nfs/dbraw/zinc/69/73/11/1034697311.db2.gz IRLSEGVRWUDNNF-MELADBBJSA-N 1 0 373.405 2.504 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCc2ncc(C(C)(C)C)o2)cc1 ZINC000832284041 1034700302 /nfs/dbraw/zinc/70/03/02/1034700302.db2.gz HACFLNMEZKFFKH-INIZCTEOSA-N 1 0 358.486 2.787 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001221893811 1035141060 /nfs/dbraw/zinc/14/10/60/1035141060.db2.gz GDSACNQAUQYATN-QGZVFWFLSA-N 1 0 367.497 2.876 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)ccc1N(C)C ZINC001139671414 1035194372 /nfs/dbraw/zinc/19/43/72/1035194372.db2.gz LFMJELLESQGUAT-UHFFFAOYSA-N 1 0 371.525 2.664 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cc(F)ccc4O)CC[N@@H+]3C2)n1 ZINC001140063514 1035327622 /nfs/dbraw/zinc/32/76/22/1035327622.db2.gz QUVIPCNXXPQGJG-PMACEKPBSA-N 1 0 371.456 2.710 20 10 FFCDRO CCC(=O)N(C)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001140102593 1035343282 /nfs/dbraw/zinc/34/32/82/1035343282.db2.gz TVEWKDDSMWIPFS-UHFFFAOYSA-N 1 0 355.276 2.988 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001140128194 1035350938 /nfs/dbraw/zinc/35/09/38/1035350938.db2.gz SUAKHLXPCSXNNH-GOSISDBHSA-N 1 0 357.498 2.870 20 10 FFCDRO Cc1cccc(N2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)n1 ZINC001140281387 1035416518 /nfs/dbraw/zinc/41/65/18/1035416518.db2.gz DUXBXYMHGYQZAC-UHFFFAOYSA-N 1 0 366.509 2.673 20 10 FFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282030 1035417467 /nfs/dbraw/zinc/41/74/67/1035417467.db2.gz XFYUKGBYWWDYCN-LJQANCHMSA-N 1 0 373.541 2.728 20 10 FFCDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287935 1035420018 /nfs/dbraw/zinc/42/00/18/1035420018.db2.gz KPBBAOQYEDQUAH-YYWHXJBOSA-N 1 0 372.509 2.811 20 10 FFCDRO COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1c(O)cccc1Cl ZINC001140341706 1035444513 /nfs/dbraw/zinc/44/45/13/1035444513.db2.gz DFIPJGUQHLVORP-SFHVURJKSA-N 1 0 374.868 2.905 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000835048338 1035493248 /nfs/dbraw/zinc/49/32/48/1035493248.db2.gz QFMCBRLGOASKOT-XYASWCNUSA-N 1 0 364.493 2.942 20 10 FFCDRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cc(Cl)c(O)cc2O)N1Cc1cccnc1 ZINC001232258432 1035528357 /nfs/dbraw/zinc/52/83/57/1035528357.db2.gz YHPLUKJBVAELIE-JKSUJKDBSA-N 1 0 373.840 2.522 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)cc1Cl ZINC001232261740 1035533265 /nfs/dbraw/zinc/53/32/65/1035533265.db2.gz NPASIIDZRUVDHZ-RDTXWAMCSA-N 1 0 353.846 2.911 20 10 FFCDRO CC(C)(C)NC(=O)CO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232262931 1035533835 /nfs/dbraw/zinc/53/38/35/1035533835.db2.gz WNNMYZZQKIBYMW-CYBMUJFWSA-N 1 0 370.877 2.647 20 10 FFCDRO COc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)n1 ZINC001232264992 1035535356 /nfs/dbraw/zinc/53/53/56/1035535356.db2.gz MUKQEKXUCYHOPB-GFCCVEGCSA-N 1 0 365.817 2.593 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3cc(Cl)c(OC)cc3O)C[C@@H]2C)C1=O ZINC001232265427 1035538516 /nfs/dbraw/zinc/53/85/16/1035538516.db2.gz KYKLTFBULLFICZ-SGTLLEGYSA-N 1 0 352.862 2.745 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(N3CCCOC3=O)CC2)cc1Cl ZINC001232270587 1035539764 /nfs/dbraw/zinc/53/97/64/1035539764.db2.gz GNLGGQQXESZRFF-UHFFFAOYSA-N 1 0 354.834 2.861 20 10 FFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)OCC1=O ZINC001277212667 1035571985 /nfs/dbraw/zinc/57/19/85/1035571985.db2.gz KWUOKJWAEYAXIH-LJQANCHMSA-N 1 0 366.889 2.957 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2C[C@H](C(=O)OC)CC[C@H]2C)c2ccccc2n1C ZINC001232403380 1035651316 /nfs/dbraw/zinc/65/13/16/1035651316.db2.gz WZZMSCZOSXJOLN-ZIAGYGMSSA-N 1 0 358.438 2.738 20 10 FFCDRO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001277665596 1035691606 /nfs/dbraw/zinc/69/16/06/1035691606.db2.gz 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CN(C)c1ccc([C@H](CNC(=O)Cc2c[nH]c3cnccc23)[NH+](C)C)cc1 ZINC001262808072 1041868985 /nfs/dbraw/zinc/86/89/85/1041868985.db2.gz QUFBJJIUKCODMA-FQEVSTJZSA-N 1 0 365.481 2.591 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001263160702 1042140708 /nfs/dbraw/zinc/14/07/08/1042140708.db2.gz KWKVSXZKFVTHIG-WMQCIHAUSA-N 1 0 371.525 2.575 20 10 FFCDRO Cc1cccnc1[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001263764861 1042472241 /nfs/dbraw/zinc/47/22/41/1042472241.db2.gz VJNSCOSASIJLSH-QGZVFWFLSA-N 1 0 367.497 2.702 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)cc1 ZINC001279149180 1042919687 /nfs/dbraw/zinc/91/96/87/1042919687.db2.gz AJESCVCFHBLVLR-FXAWDEMLSA-N 1 0 352.482 2.560 20 10 FFCDRO COC1(CC(=O)N2CC3(C2)C[NH+](Cc2c(C)ccc(C)c2O)C3)CCC1 ZINC001279232521 1042957500 /nfs/dbraw/zinc/95/75/00/1042957500.db2.gz DIIZLOABHDGZKK-UHFFFAOYSA-N 1 0 358.482 2.612 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 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2.916 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)cc1Cl ZINC001279432202 1043106663 /nfs/dbraw/zinc/10/66/63/1043106663.db2.gz CDIHKNWHKSQPJN-UHFFFAOYSA-N 1 0 351.878 2.980 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237414109 1043149381 /nfs/dbraw/zinc/14/93/81/1043149381.db2.gz LSNSAQWKPHWTGU-SMDDNHRTSA-N 1 0 372.250 2.571 20 10 FFCDRO COc1cc(Cl)cc(CN2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)c1O ZINC001279476655 1043159890 /nfs/dbraw/zinc/15/98/90/1043159890.db2.gz REALTMBNULUQIP-WMZOPIPTSA-N 1 0 366.889 2.882 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CCC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001237486606 1043198695 /nfs/dbraw/zinc/19/86/95/1043198695.db2.gz SQQKATPJEUOFHL-GCJKJVERSA-N 1 0 372.509 2.942 20 10 FFCDRO CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237487884 1043200848 /nfs/dbraw/zinc/20/08/48/1043200848.db2.gz FMDNCZXMVMZHCM-GOSISDBHSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)C(C)C)O2 ZINC001237486991 1043201032 /nfs/dbraw/zinc/20/10/32/1043201032.db2.gz WKCVTUREOIYZDZ-DYESRHJHSA-N 1 0 360.498 2.986 20 10 FFCDRO Oc1c(CN2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)cccc1C(F)(F)F ZINC001279506575 1043201680 /nfs/dbraw/zinc/20/16/80/1043201680.db2.gz XXQWBKIIWQJLNM-UHFFFAOYSA-N 1 0 366.387 2.842 20 10 FFCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cccc(OC(F)(F)F)c3O)C2)C1 ZINC001279521230 1043219444 /nfs/dbraw/zinc/21/94/44/1043219444.db2.gz LCSMUNGPOYUBGO-MRXNPFEDSA-N 1 0 360.376 2.587 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)cc1Cl ZINC001279572192 1043276380 /nfs/dbraw/zinc/27/63/80/1043276380.db2.gz XMEIEUMJPPQEMG-APWZRJJASA-N 1 0 366.889 2.882 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c(OC)c1 ZINC001237675121 1043303258 /nfs/dbraw/zinc/30/32/58/1043303258.db2.gz UOURQGQNERDHPN-UHFFFAOYSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cc(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)c(O)c(OC)c1 ZINC001237674086 1043303499 /nfs/dbraw/zinc/30/34/99/1043303499.db2.gz OCJFZCHWINISBT-UHFFFAOYSA-N 1 0 355.438 2.678 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)c(O)c(OC)c1 ZINC001237674761 1043303540 /nfs/dbraw/zinc/30/35/40/1043303540.db2.gz XVFCXNUEMMLWIH-KRWDZBQOSA-N 1 0 374.481 2.680 20 10 FFCDRO Cc1cc(O)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC001237677714 1043305766 /nfs/dbraw/zinc/30/57/66/1043305766.db2.gz CDCPUTYMIIAISF-OAHLLOKOSA-N 1 0 369.303 2.760 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1Br ZINC001237681938 1043309541 /nfs/dbraw/zinc/30/95/41/1043309541.db2.gz MFNWENPZXXASFP-ZDUSSCGKSA-N 1 0 351.248 2.892 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1Br ZINC001237684101 1043311477 /nfs/dbraw/zinc/31/14/77/1043311477.db2.gz GXIVGNPYMWBWHE-CYBMUJFWSA-N 1 0 351.248 2.892 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(O)c(OC)c1 ZINC001237686046 1043312809 /nfs/dbraw/zinc/31/28/09/1043312809.db2.gz XAXBQGFXGKVHFX-INIZCTEOSA-N 1 0 368.433 2.640 20 10 FFCDRO CC[N@@H+]1CCN(Cc2cccc(I)c2O)[C@H](C)C1 ZINC001237781867 1043355948 /nfs/dbraw/zinc/35/59/48/1043355948.db2.gz ANNBSRMKUSLVEB-LLVKDONJSA-N 1 0 360.239 2.523 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237799845 1043365530 /nfs/dbraw/zinc/36/55/30/1043365530.db2.gz IRFUMQZVAYBMKP-LBPRGKRZSA-N 1 0 352.841 2.575 20 10 FFCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665044 1043427814 /nfs/dbraw/zinc/42/78/14/1043427814.db2.gz JKSDBLUUNCVJDO-OCCSQVGLSA-N 1 0 358.313 2.767 20 10 FFCDRO COc1cc(O)c(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c(Cl)c1 ZINC001279666198 1043430482 /nfs/dbraw/zinc/43/04/82/1043430482.db2.gz XKWHJSSIRXOXJQ-IYBDPMFKSA-N 1 0 366.889 2.882 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1O ZINC001238057726 1043505869 /nfs/dbraw/zinc/50/58/69/1043505869.db2.gz LSAIBUKJNNEPJD-UHFFFAOYSA-N 1 0 369.440 2.768 20 10 FFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4cc(F)cc(C)c4O)C[C@@H]32)N=C1C ZINC001238060614 1043508024 /nfs/dbraw/zinc/50/80/24/1043508024.db2.gz KIRRQPCOSBHXAA-CFLQYTFWSA-N 1 0 359.445 2.701 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@H]3C(=O)Nc3cn[nH]c3)C2)cc1 ZINC001279742853 1043571308 /nfs/dbraw/zinc/57/13/08/1043571308.db2.gz DPWQPKMQFFUUEG-SFHVURJKSA-N 1 0 353.470 2.717 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C2CC(F)(F)C2)cc1 ZINC001279743492 1043572185 /nfs/dbraw/zinc/57/21/85/1043572185.db2.gz LKKXWHUIAXKUCP-QRWLVFNGSA-N 1 0 363.452 2.973 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@@H]3C(=O)NC3CCC(F)CC3)C2)cc1 ZINC001279743197 1043572730 /nfs/dbraw/zinc/57/27/30/1043572730.db2.gz IPAWIIWZDSXPCR-FAFZWHIHSA-N 1 0 359.489 2.971 20 10 FFCDRO C=Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC001309934470 1043595591 /nfs/dbraw/zinc/59/55/91/1043595591.db2.gz RAOFCMWTMKSGFR-FQEVSTJZSA-N 1 0 373.522 2.977 20 10 FFCDRO Cn1nc(C2CC2)cc1NC(=O)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001279968979 1044002760 /nfs/dbraw/zinc/00/27/60/1044002760.db2.gz SRTJJKKKVZIHMU-UHFFFAOYSA-N 1 0 352.438 2.654 20 10 FFCDRO NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001280067678 1044161660 /nfs/dbraw/zinc/16/16/60/1044161660.db2.gz LSZXDCJANKAYFZ-DENIHFKCSA-N 1 0 353.510 2.863 20 10 FFCDRO C[C@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001313212959 1044275303 /nfs/dbraw/zinc/27/53/03/1044275303.db2.gz WGKPGXDVFFLSSD-HNNXBMFYSA-N 1 0 366.456 2.768 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(C)(F)CC2)[NH+](C)C)cc1 ZINC001313394626 1044345012 /nfs/dbraw/zinc/34/50/12/1044345012.db2.gz SRDDXZVVHZFOQA-QGZVFWFLSA-N 1 0 350.482 2.889 20 10 FFCDRO CCc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cnn1CC ZINC001539236001 1070593807 /nfs/dbraw/zinc/59/38/07/1070593807.db2.gz NQPGMUNDVZQGGK-IBGZPJMESA-N 1 0 357.502 2.564 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001539301181 1070608719 /nfs/dbraw/zinc/60/87/19/1070608719.db2.gz AIBBCVJFROIIAS-ICSRJNTNSA-N 1 0 359.514 2.602 20 10 FFCDRO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001474663853 1045099078 /nfs/dbraw/zinc/09/90/78/1045099078.db2.gz STUSZNHSWZZQTQ-FQEVSTJZSA-N 1 0 365.470 2.889 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)C2)cc1 ZINC001325898064 1046679441 /nfs/dbraw/zinc/67/94/41/1046679441.db2.gz ZAMMLQBPCVYPAT-UXPWSPDFSA-N 1 0 374.529 2.694 20 10 FFCDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001326130820 1046779096 /nfs/dbraw/zinc/77/90/96/1046779096.db2.gz WPGGTGAAHWBQKS-HXUWFJFHSA-N 1 0 371.500 2.579 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001327130414 1047201906 /nfs/dbraw/zinc/20/19/06/1047201906.db2.gz ZSDLNVJLKCETIJ-DLBZAZTESA-N 1 0 373.884 2.639 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC001540467128 1070899426 /nfs/dbraw/zinc/89/94/26/1070899426.db2.gz KDFRYNQUEQKAKI-UHFFFAOYSA-N 1 0 354.450 2.943 20 10 FFCDRO CCO[C@H](CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C)C[NH+](C)C ZINC001288684906 1047498454 /nfs/dbraw/zinc/49/84/54/1047498454.db2.gz FLCKNFKYXXWUEC-HXUWFJFHSA-N 1 0 357.498 2.720 20 10 FFCDRO CN(C)c1ccc(CN(C)CN2CCN(C(=O)OC(C)(C)C)C2=O)cc1 ZINC001327341691 1047856197 /nfs/dbraw/zinc/85/61/97/1047856197.db2.gz OPRGWOPXTBDGIS-UHFFFAOYSA-N 1 0 362.474 2.815 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001331387522 1047908556 /nfs/dbraw/zinc/90/85/56/1047908556.db2.gz MMTHYAHWIBOJMB-YLJYHZDGSA-N 1 0 358.530 2.872 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC001331924226 1048173786 /nfs/dbraw/zinc/17/37/86/1048173786.db2.gz JLCOVAAZTYXCDW-DOTOQJQBSA-N 1 0 374.506 2.958 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCN4CC(F)(F)C[C@H]4C3)cc2)CC1 ZINC001332125977 1048258646 /nfs/dbraw/zinc/25/86/46/1048258646.db2.gz VTJUVEFGHIURRV-SFHVURJKSA-N 1 0 365.468 2.827 20 10 FFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC001334041917 1049214224 /nfs/dbraw/zinc/21/42/24/1049214224.db2.gz XXPTYFBYUKRVEM-IMJJTQAJSA-N 1 0 350.434 2.655 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc(F)cc(F)c3[O-])c2)CC1 ZINC001330830470 1049350493 /nfs/dbraw/zinc/35/04/93/1049350493.db2.gz PADHRFADLJBXKK-UHFFFAOYSA-N 1 0 361.436 2.708 20 10 FFCDRO CC(=O)N1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000743763776 1050124511 /nfs/dbraw/zinc/12/45/11/1050124511.db2.gz QMGRUZCHUIOGNC-UHFFFAOYSA-N 1 0 360.458 2.686 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCC34CC[NH2+]CC4)C2)cc1 ZINC001340721051 1051081355 /nfs/dbraw/zinc/08/13/55/1051081355.db2.gz TXCNGGYKDDABSO-YLJYHZDGSA-N 1 0 371.525 2.950 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3c2COCC3)[NH+](C)C)cc1 ZINC001342707232 1051324114 /nfs/dbraw/zinc/32/41/14/1051324114.db2.gz IMUXOUHACYUCEU-NRFANRHFSA-N 1 0 367.493 2.858 20 10 FFCDRO CN(c1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1)C1CCCCC1 ZINC001542412091 1071230690 /nfs/dbraw/zinc/23/06/90/1071230690.db2.gz MTGKAMLBPSIHCD-UHFFFAOYSA-N 1 0 372.557 2.565 20 10 FFCDRO Cc1cc(C(=O)N(C)C2(C[NH3+])CCOCC2)c(C)n1-c1cccc(C)c1 ZINC001341449187 1051805417 /nfs/dbraw/zinc/80/54/17/1051805417.db2.gz PMCZIYNLFIIBFY-UHFFFAOYSA-N 1 0 355.482 2.982 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC001345079566 1052244979 /nfs/dbraw/zinc/24/49/79/1052244979.db2.gz XSIOHIGXVXKLSI-SJORKVTESA-N 1 0 360.498 2.720 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccc(N)cc3)C2=O)c1 ZINC001345159532 1052297131 /nfs/dbraw/zinc/29/71/31/1052297131.db2.gz JYZGJYOAHCHXQP-IBGZPJMESA-N 1 0 355.438 2.523 20 10 FFCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001308527420 1052464913 /nfs/dbraw/zinc/46/49/13/1052464913.db2.gz ZWQHNKCEUNHAOW-INIZCTEOSA-N 1 0 350.503 2.899 20 10 FFCDRO COc1cc(C)c(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC001308814254 1052503409 /nfs/dbraw/zinc/50/34/09/1052503409.db2.gz ZXPFAZJNNXDIHB-UHFFFAOYSA-N 1 0 356.422 2.820 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)CCCCC3CC[NH2+]CC3)C2)cc1 ZINC001343973636 1052522245 /nfs/dbraw/zinc/52/22/45/1052522245.db2.gz AVRDWXBWWJQWJO-GOSISDBHSA-N 1 0 359.514 2.950 20 10 FFCDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCc1ccc(N)cc1 ZINC001335375131 1053324182 /nfs/dbraw/zinc/32/41/82/1053324182.db2.gz MAFOVFUOWQJUKK-UHFFFAOYSA-N 1 0 370.497 2.989 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001335706987 1053516020 /nfs/dbraw/zinc/51/60/20/1053516020.db2.gz QFUHGZMJFJBCIQ-PWIZWCRZSA-N 1 0 368.481 2.950 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001543233117 1071422496 /nfs/dbraw/zinc/42/24/96/1071422496.db2.gz DQVBQUMPAMLNPQ-OAGGEKHMSA-N 1 0 365.493 2.643 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC001351687959 1054952227 /nfs/dbraw/zinc/95/22/27/1054952227.db2.gz LLTKWPVWXRAJMR-CQSZACIVSA-N 1 0 358.408 2.749 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(O)c1C ZINC001337784291 1055016170 /nfs/dbraw/zinc/01/61/70/1055016170.db2.gz ARMYZRPOFXBGDD-LHSJRXKWSA-N 1 0 367.449 2.914 20 10 FFCDRO CCc1cccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)c1O ZINC000848892607 1055312184 /nfs/dbraw/zinc/31/21/84/1055312184.db2.gz BOUPOHPUOXNORI-UHFFFAOYSA-N 1 0 359.470 2.689 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1O ZINC000848898800 1055325750 /nfs/dbraw/zinc/32/57/50/1055325750.db2.gz YLAFFVFLBPOFDS-SFTDATJTSA-N 1 0 354.494 2.927 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000848909185 1055347136 /nfs/dbraw/zinc/34/71/36/1055347136.db2.gz MRQCTVXAZJROFF-SFHVURJKSA-N 1 0 354.450 2.724 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000848911105 1055352038 /nfs/dbraw/zinc/35/20/38/1055352038.db2.gz QHGAGYAMWPBPAS-MSOLQXFVSA-N 1 0 362.470 2.824 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001338450358 1055526587 /nfs/dbraw/zinc/52/65/87/1055526587.db2.gz WBUSQBICVQOWMP-HXUWFJFHSA-N 1 0 374.554 2.667 20 10 FFCDRO Cc1ccccc1NC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001349912419 1055536296 /nfs/dbraw/zinc/53/62/96/1055536296.db2.gz XPLFPSQITMIUHW-QGZVFWFLSA-N 1 0 365.481 2.833 20 10 FFCDRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000847532410 1056002057 /nfs/dbraw/zinc/00/20/57/1056002057.db2.gz OKQCBPTUBGTLII-HUUCEWRRSA-N 1 0 367.440 2.715 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C(=O)NC3CC3)c3ccccc3)C2)cc1 ZINC000849321266 1056827200 /nfs/dbraw/zinc/82/72/00/1056827200.db2.gz ATTHGJICNDHAMP-NQIIRXRSSA-N 1 0 365.477 2.883 20 10 FFCDRO COCC[NH+]1CCC(OC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000847881357 1058314658 /nfs/dbraw/zinc/31/46/58/1058314658.db2.gz IRMIGVUINWMYPZ-UHFFFAOYSA-N 1 0 357.454 2.757 20 10 FFCDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccnc1 ZINC001456025502 1059987764 /nfs/dbraw/zinc/98/77/64/1059987764.db2.gz OXLDSSJXSPOXQW-INIZCTEOSA-N 1 0 354.414 2.667 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]3OCCC[C@H]3C2)[NH+](C)C)cc1 ZINC001355379638 1060187127 /nfs/dbraw/zinc/18/71/27/1060187127.db2.gz DJEPIOJJQYMCER-YSIASYRMSA-N 1 0 374.529 2.566 20 10 FFCDRO COc1ccc(N2CCN(CC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c(OC)c1 ZINC001460661650 1061052686 /nfs/dbraw/zinc/05/26/86/1061052686.db2.gz DMHVJXPMTYLHHK-ROUUACIJSA-N 1 0 361.530 2.804 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]Cc3cccc4nccn43)cc2)CC1 ZINC001461101137 1061209706 /nfs/dbraw/zinc/20/97/06/1061209706.db2.gz PRKFUBGGYDNFPF-UHFFFAOYSA-N 1 0 350.466 2.833 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001461676819 1061375653 /nfs/dbraw/zinc/37/56/53/1061375653.db2.gz OTCRMLYJAKXHAA-ABAIWWIYSA-N 1 0 361.364 2.986 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c(O)c1OC ZINC001462216868 1061539536 /nfs/dbraw/zinc/53/95/36/1061539536.db2.gz RPKULSHETVIJQJ-SFHVURJKSA-N 1 0 356.466 2.768 20 10 FFCDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001462376644 1061600482 /nfs/dbraw/zinc/60/04/82/1061600482.db2.gz NQRWRPAMUNLTAZ-TZMCWYRMSA-N 1 0 350.434 2.991 20 10 FFCDRO COCC[N@H+](C)CCNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001477739153 1061787901 /nfs/dbraw/zinc/78/79/01/1061787901.db2.gz NVLYIAMNVSMRIN-UHFFFAOYSA-N 1 0 372.513 2.780 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)cc2F)CC1 ZINC001530377111 1062554621 /nfs/dbraw/zinc/55/46/21/1062554621.db2.gz OCQQZLNODWDDLX-VDHUWJSZSA-N 1 0 359.489 2.876 20 10 FFCDRO CC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC001467569809 1063785591 /nfs/dbraw/zinc/78/55/91/1063785591.db2.gz PNVZSHOSZBGERQ-LSDHHAIUSA-N 1 0 360.424 2.995 20 10 FFCDRO Cc1cc(CCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001470969541 1064511489 /nfs/dbraw/zinc/51/14/89/1064511489.db2.gz XBZHNPIFAHWCSW-TZIWHRDSSA-N 1 0 366.509 2.982 20 10 FFCDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471192450 1064596665 /nfs/dbraw/zinc/59/66/65/1064596665.db2.gz YYAJHCYGPWZXQT-WSTLGDPDSA-N 1 0 356.514 2.530 20 10 FFCDRO C[C@@H]([NH2+]CCOCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001473400099 1065256164 /nfs/dbraw/zinc/25/61/64/1065256164.db2.gz JYNRDBFAHZGDLM-OAHLLOKOSA-N 1 0 351.491 2.945 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)nnn4C)CC2)cc1 ZINC001473972228 1065431396 /nfs/dbraw/zinc/43/13/96/1065431396.db2.gz IBQDDZNIXLRNSV-UHFFFAOYSA-N 1 0 351.454 2.736 20 10 FFCDRO O=C1COc2ccccc2CN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001474266456 1065481456 /nfs/dbraw/zinc/48/14/56/1065481456.db2.gz QGQRCSATHDYETD-UHFFFAOYSA-N 1 0 365.477 2.798 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(C(C)C)ccc2O)CC1 ZINC001474425647 1065518003 /nfs/dbraw/zinc/51/80/03/1065518003.db2.gz JYHOOTPXBGGIOP-UHFFFAOYSA-N 1 0 354.516 2.667 20 10 FFCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001474636722 1065567758 /nfs/dbraw/zinc/56/77/58/1065567758.db2.gz OZBIOAWYHPCPTK-UNMCSNQZSA-N 1 0 352.478 2.567 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC001578426129 1078472891 /nfs/dbraw/zinc/47/28/91/1078472891.db2.gz VBSLTSJSHUQLSA-MRXNPFEDSA-N 1 0 351.397 2.857 20 10 FFCDRO CN(C)c1ccc(Cn2c(C3CCC3)nnc2N2CCC([NH3+])CC2)cc1F ZINC001578426170 1078473238 /nfs/dbraw/zinc/47/32/38/1078473238.db2.gz WXAXPRWXQFGFGQ-UHFFFAOYSA-N 1 0 372.492 2.727 20 10 FFCDRO Cc1cc(N(C)C)ccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579618003 1078650698 /nfs/dbraw/zinc/65/06/98/1078650698.db2.gz YDZCDZUFSUJPLW-QGZVFWFLSA-N 1 0 370.545 2.827 20 10 FFCDRO Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1C[C@@H]1CCC[NH2+]C1 ZINC001579902700 1078710858 /nfs/dbraw/zinc/71/08/58/1078710858.db2.gz KCAGRDBZOCJYBK-LJQANCHMSA-N 1 0 368.529 2.823 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4cnccc43)cc2)CC1 ZINC001583475434 1079220504 /nfs/dbraw/zinc/22/05/04/1079220504.db2.gz GPKPMJOTOODKAY-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC001558428412 1076004303 /nfs/dbraw/zinc/00/43/03/1076004303.db2.gz ZKSSWSAZSDFZJC-OXJNMPFZSA-N 1 0 353.466 2.658 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC[C@]4(CCOC4)O3)CC2)cc1F ZINC001559642455 1076179086 /nfs/dbraw/zinc/17/90/86/1076179086.db2.gz PQXPHEQUQPLTQY-YLJYHZDGSA-N 1 0 364.461 2.685 20 10 FFCDRO Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC001560561146 1076279829 /nfs/dbraw/zinc/27/98/29/1076279829.db2.gz DIAMGIPFYCAREO-OAQYLSRUSA-N 1 0 352.478 2.921 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1O ZINC001560720830 1076294313 /nfs/dbraw/zinc/29/43/13/1076294313.db2.gz LCIVDFPIFXZIGL-QZTJIDSGSA-N 1 0 373.541 2.577 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001568185601 1077076682 /nfs/dbraw/zinc/07/66/82/1077076682.db2.gz VZNJFBIOJSLFBH-QMIHWGKISA-N 1 0 360.498 2.661 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)nn2C)[NH+](C)C)cc1 ZINC001586054897 1079536164 /nfs/dbraw/zinc/53/61/64/1079536164.db2.gz QKZFFODIFIMIHZ-GOSISDBHSA-N 1 0 371.529 2.816 20 10 FFCDRO Fc1cccnc1N1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000369052983 512203555 /nfs/dbraw/zinc/20/35/55/512203555.db2.gz WSAZJQGOQIRCSP-UHFFFAOYSA-N 1 0 370.472 2.770 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Br)ccc1O ZINC000373250864 512241013 /nfs/dbraw/zinc/24/10/13/512241013.db2.gz ABEVKSVDPLDJRP-IACUBPJLSA-N 1 0 355.276 2.669 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045755391 507012310 /nfs/dbraw/zinc/01/23/10/507012310.db2.gz XSJSGLZEHPMCLF-UHFFFAOYSA-N 1 0 354.454 2.593 20 10 FFCDRO CC[NH+]1CCN(CCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000108453876 507895045 /nfs/dbraw/zinc/89/50/45/507895045.db2.gz VJGZJZVMVSMKTQ-UHFFFAOYSA-N 1 0 372.557 2.567 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(N(C)C)cc1 ZINC000090116304 507910077 /nfs/dbraw/zinc/91/00/77/507910077.db2.gz KEJDWAIEYLMKDI-QZTJIDSGSA-N 1 0 355.486 2.722 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000090171935 507913512 /nfs/dbraw/zinc/91/35/12/507913512.db2.gz LUEOBDJVNXBALR-CRAIPNDOSA-N 1 0 355.486 2.641 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090803358 507936936 /nfs/dbraw/zinc/93/69/36/507936936.db2.gz GRCBMQBYDPWPQE-AEFFLSMTSA-N 1 0 370.472 2.987 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000152557923 508469981 /nfs/dbraw/zinc/46/99/81/508469981.db2.gz OKWTUPUXQNNRJX-LJQANCHMSA-N 1 0 374.456 2.833 20 10 FFCDRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000127602754 508474816 /nfs/dbraw/zinc/47/48/16/508474816.db2.gz HJXMWHQCVZHQME-JBEBIEQOSA-N 1 0 356.507 2.860 20 10 FFCDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151593032 509049492 /nfs/dbraw/zinc/04/94/92/509049492.db2.gz SXQMSYWKLYODHM-FQEVSTJZSA-N 1 0 354.498 2.796 20 10 FFCDRO Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1O ZINC000182340746 509185305 /nfs/dbraw/zinc/18/53/05/509185305.db2.gz ALJINSLQWPWZRB-UHFFFAOYSA-N 1 0 374.506 2.785 20 10 FFCDRO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1O ZINC000183433242 509786451 /nfs/dbraw/zinc/78/64/51/509786451.db2.gz NGBMMXSJLMBBEM-OAHLLOKOSA-N 1 0 354.450 2.943 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000180520075 509964513 /nfs/dbraw/zinc/96/45/13/509964513.db2.gz MDVICNVKQPQYGA-UHFFFAOYSA-N 1 0 354.406 2.916 20 10 FFCDRO C[N@H+](CCC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1O ZINC000171936590 510461698 /nfs/dbraw/zinc/46/16/98/510461698.db2.gz WVEIGDXKXSCREK-UHFFFAOYSA-N 1 0 367.449 2.745 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178181804 510474944 /nfs/dbraw/zinc/47/49/44/510474944.db2.gz YSMSBSMDEBZBGE-CQSZACIVSA-N 1 0 357.429 2.612 20 10 FFCDRO COc1ccc([C@H](C[NH2+]Cc2cccc(C)c2O)N2CCOCC2)cc1 ZINC000181624500 510506783 /nfs/dbraw/zinc/50/67/83/510506783.db2.gz XAIKMKSHDLBDGD-FQEVSTJZSA-N 1 0 356.466 2.872 20 10 FFCDRO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191444766 510662767 /nfs/dbraw/zinc/66/27/67/510662767.db2.gz IABDLOBLLGRAAJ-BZNIZROVSA-N 1 0 353.825 2.864 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1O ZINC000185110796 510690719 /nfs/dbraw/zinc/69/07/19/510690719.db2.gz WPGDQVGEJLKWER-GFCCVEGCSA-N 1 0 352.431 2.632 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Br)ccc1O ZINC000185115795 510693355 /nfs/dbraw/zinc/69/33/55/510693355.db2.gz PEQZLYOHNBPHAM-GFCCVEGCSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000185140482 510707731 /nfs/dbraw/zinc/70/77/31/510707731.db2.gz BNDORGOYOADINF-SUMWQHHRSA-N 1 0 356.919 2.904 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000246894881 510733304 /nfs/dbraw/zinc/73/33/04/510733304.db2.gz UEEDQTPQSICGEH-OCCSQVGLSA-N 1 0 374.300 2.870 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000270314235 510757587 /nfs/dbraw/zinc/75/75/87/510757587.db2.gz GQTVDBHSRFGXNF-GFCCVEGCSA-N 1 0 355.276 2.893 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191767670 510820852 /nfs/dbraw/zinc/82/08/52/510820852.db2.gz LYHPQASKOUXKAW-GOSISDBHSA-N 1 0 358.413 2.821 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1nccn1C ZINC000182237873 510828515 /nfs/dbraw/zinc/82/85/15/510828515.db2.gz TVBANUCZXICTAS-HXUWFJFHSA-N 1 0 371.529 2.682 20 10 FFCDRO COCC1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000293890815 510889597 /nfs/dbraw/zinc/88/95/97/510889597.db2.gz ZCYOGKIYPDRWLQ-INIZCTEOSA-N 1 0 366.477 2.756 20 10 FFCDRO CCOCc1cc(C[NH2+]CCn2cc(Br)cn2)ccc1OC ZINC000285429444 510902840 /nfs/dbraw/zinc/90/28/40/510902840.db2.gz HGOMVJVTIJZFQZ-UHFFFAOYSA-N 1 0 368.275 2.981 20 10 FFCDRO COc1c(O)c(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000282288782 510915621 /nfs/dbraw/zinc/91/56/21/510915621.db2.gz LNNSRRBHCURCRK-IBGZPJMESA-N 1 0 358.394 2.623 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1O ZINC000360775637 510948263 /nfs/dbraw/zinc/94/82/63/510948263.db2.gz JQWBQMJUTHCLGA-AEFFLSMTSA-N 1 0 373.428 2.785 20 10 FFCDRO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277322435 510960837 /nfs/dbraw/zinc/96/08/37/510960837.db2.gz DORBAJCQONBLSW-UONOGXRCSA-N 1 0 368.275 2.581 20 10 FFCDRO COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000278112508 510982147 /nfs/dbraw/zinc/98/21/47/510982147.db2.gz SJZROFMMRCMNQL-YLJYHZDGSA-N 1 0 350.503 2.521 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278464690 510994316 /nfs/dbraw/zinc/99/43/16/510994316.db2.gz FVAUMUPAPUEASK-KRWDZBQOSA-N 1 0 368.336 2.585 20 10 FFCDRO CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286056253 511019061 /nfs/dbraw/zinc/01/90/61/511019061.db2.gz BEGBDRQVRAOXQU-SELGSTQMSA-N 1 0 369.509 2.620 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282674904 511070137 /nfs/dbraw/zinc/07/01/37/511070137.db2.gz JILPUFJVJQHTLA-HNNXBMFYSA-N 1 0 363.479 2.709 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC000294706773 511150849 /nfs/dbraw/zinc/15/08/49/511150849.db2.gz DIXQGXMDQMYLRV-CYBMUJFWSA-N 1 0 350.459 2.523 20 10 FFCDRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000295212284 511323807 /nfs/dbraw/zinc/32/38/07/511323807.db2.gz QCMXLODVNYWGNA-TZMCWYRMSA-N 1 0 353.413 2.514 20 10 FFCDRO Oc1c(F)cccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000272338250 511490769 /nfs/dbraw/zinc/49/07/69/511490769.db2.gz XZNMNGHCFPNCKS-UHFFFAOYSA-N 1 0 350.356 2.618 20 10 FFCDRO COc1nccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000295734997 511499475 /nfs/dbraw/zinc/49/94/75/511499475.db2.gz OLWAYDABGLADRI-CQSZACIVSA-N 1 0 364.396 2.845 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000273298394 511521653 /nfs/dbraw/zinc/52/16/53/511521653.db2.gz ASPVUAQCCRMQGY-HNNXBMFYSA-N 1 0 370.449 2.866 20 10 FFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000273671042 511569545 /nfs/dbraw/zinc/56/95/45/511569545.db2.gz XUUGPRBPUZRNBW-CQSZACIVSA-N 1 0 350.482 2.763 20 10 FFCDRO O=S1(=O)CCCN1c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296231584 511664695 /nfs/dbraw/zinc/66/46/95/511664695.db2.gz AKEABOJWZPEWOV-KRWDZBQOSA-N 1 0 358.463 2.709 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1F ZINC000274086594 511715562 /nfs/dbraw/zinc/71/55/62/511715562.db2.gz OVDCRUSEXUMKMW-IBGZPJMESA-N 1 0 374.456 2.534 20 10 FFCDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000274090983 511717085 /nfs/dbraw/zinc/71/70/85/511717085.db2.gz QERRKDRZQIDETJ-OAQYLSRUSA-N 1 0 364.530 2.911 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cncs3)cc2F)CC1 ZINC000281822969 511979805 /nfs/dbraw/zinc/97/98/05/511979805.db2.gz XBODGTSSTNSKJZ-GQCTYLIASA-N 1 0 374.485 2.754 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000371852683 512603391 /nfs/dbraw/zinc/60/33/91/512603391.db2.gz NALHSRYUTLPHCR-HOTGVXAUSA-N 1 0 365.861 2.876 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCOC1 ZINC000372043751 512690691 /nfs/dbraw/zinc/69/06/91/512690691.db2.gz YQDYKDGZCKUNCA-BBRMVZONSA-N 1 0 352.862 2.553 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000374494248 512859117 /nfs/dbraw/zinc/85/91/17/512859117.db2.gz CUCIZEYSCUYKTG-KNBMTAEXSA-N 1 0 364.461 2.651 20 10 FFCDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000370670389 513044180 /nfs/dbraw/zinc/04/41/80/513044180.db2.gz AWRJTBOUHJHSRY-KDOFPFPSSA-N 1 0 370.472 2.969 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000370777715 513096591 /nfs/dbraw/zinc/09/65/91/513096591.db2.gz APEMYSRZEMUDAZ-ZIAGYGMSSA-N 1 0 367.440 2.891 20 10 FFCDRO CO[C@@H](C)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436014371 513737291 /nfs/dbraw/zinc/73/72/91/513737291.db2.gz DLZLDVMVCFWMJY-HOTGVXAUSA-N 1 0 357.498 2.947 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+]3CC=CCC3)ccc21 ZINC000506767879 515978385 /nfs/dbraw/zinc/97/83/85/515978385.db2.gz QKMKYPASKQLNRE-UHFFFAOYSA-N 1 0 355.482 2.896 20 10 FFCDRO COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(OC)c(OC)cc2O)cc1 ZINC000529642008 517262535 /nfs/dbraw/zinc/26/25/35/517262535.db2.gz CVHDXTADFZKRCZ-KRWDZBQOSA-N 1 0 372.465 2.782 20 10 FFCDRO CC1(N2CCOCC2)CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000529663937 517269856 /nfs/dbraw/zinc/26/98/56/517269856.db2.gz NWIBMPDPTROUQX-UHFFFAOYSA-N 1 0 369.303 2.841 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nccn2C)C1 ZINC000572462634 518206797 /nfs/dbraw/zinc/20/67/97/518206797.db2.gz WNYYOBAAANXGSB-UHFFFAOYSA-N 1 0 351.454 2.780 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1C ZINC000737278439 598234595 /nfs/dbraw/zinc/23/45/95/598234595.db2.gz ITBCQLSTARWGEO-UHFFFAOYSA-N 1 0 364.453 2.511 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737100464 599308508 /nfs/dbraw/zinc/30/85/08/599308508.db2.gz XNVUPYAOPJDZGS-OAHLLOKOSA-N 1 0 364.453 2.759 20 10 FFCDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)cc(C)c1O ZINC000826158849 607846161 /nfs/dbraw/zinc/84/61/61/607846161.db2.gz FUANNBJKIBGLMU-UHFFFAOYSA-N 1 0 367.453 2.838 20 10 FFCDRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)cc1 ZINC000826158945 608566668 /nfs/dbraw/zinc/56/66/68/608566668.db2.gz JYQYACMSOIYGHA-UHFFFAOYSA-N 1 0 366.469 2.581 20 10 FFCDRO CN(CC[NH2+]Cc1cc(Cl)ccc1O)S(=O)(=O)c1cccs1 ZINC000158311850 728886076 /nfs/dbraw/zinc/88/60/76/728886076.db2.gz PNSBQBNHWFPERZ-UHFFFAOYSA-N 1 0 360.888 2.517 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(c3cnn(C)c3)CCCO2)c1O ZINC000898057184 735308421 /nfs/dbraw/zinc/30/84/21/735308421.db2.gz UAFCRIHOFDTSBO-QGZVFWFLSA-N 1 0 351.834 2.583 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H]2C(F)(F)F)[NH+](C)C)cc1 ZINC000899098647 735446855 /nfs/dbraw/zinc/44/68/55/735446855.db2.gz QNTCUEMVQWNXIK-RBSFLKMASA-N 1 0 358.408 2.605 20 10 FFCDRO COc1nccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)c1F ZINC000899260710 735467551 /nfs/dbraw/zinc/46/75/51/735467551.db2.gz PEJVHXCRSWBYRV-FMIVXFBMSA-N 1 0 367.471 2.525 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000090796876 728452141 /nfs/dbraw/zinc/45/21/41/728452141.db2.gz LCWUWTRSCKUEAT-DLBZAZTESA-N 1 0 365.543 2.609 20 10 FFCDRO CCCSCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702561 728511485 /nfs/dbraw/zinc/51/14/85/728511485.db2.gz BYIOKMKJGICFRX-UHFFFAOYSA-N 1 0 353.507 2.727 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000130121981 728715283 /nfs/dbraw/zinc/71/52/83/728715283.db2.gz ZODYZBQRHWAXAU-KGLIPLIRSA-N 1 0 356.561 2.997 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000131474517 728722315 /nfs/dbraw/zinc/72/23/15/728722315.db2.gz GOEZKLWEZPTCCN-HNNXBMFYSA-N 1 0 366.255 2.857 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2O)c(C)s1 ZINC000186141601 729361254 /nfs/dbraw/zinc/36/12/54/729361254.db2.gz QQIJMPVPKPWTHB-NSHDSACASA-N 1 0 372.487 2.839 20 10 FFCDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000779032762 738430993 /nfs/dbraw/zinc/43/09/93/738430993.db2.gz SSFDDNZQUKXUKB-LLVKDONJSA-N 1 0 353.264 2.968 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1F ZINC000303370727 729733782 /nfs/dbraw/zinc/73/37/82/729733782.db2.gz SKEGBAURJUTPKK-CQSZACIVSA-N 1 0 350.482 2.954 20 10 FFCDRO CN(C)c1cc(F)c(CNCC2([NH+]3CCCC3)CCOCC2)cc1F ZINC000858129112 730417375 /nfs/dbraw/zinc/41/73/75/730417375.db2.gz DKKORLDGTVRWCS-UHFFFAOYSA-N 1 0 353.457 2.765 20 10 FFCDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)NCc1ccco1 ZINC000858133068 730417414 /nfs/dbraw/zinc/41/74/14/730417414.db2.gz JEJQTJQFDUAEQN-JTQLQIEISA-N 1 0 353.216 2.542 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000858135686 730417461 /nfs/dbraw/zinc/41/74/61/730417461.db2.gz CFROLONYJWSHTA-INIZCTEOSA-N 1 0 353.457 2.764 20 10 FFCDRO CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241088 730493000 /nfs/dbraw/zinc/49/30/00/730493000.db2.gz GPTPQQFYHZIAMO-SJLPKXTDSA-N 1 0 366.889 2.941 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925149595 738483388 /nfs/dbraw/zinc/48/33/88/738483388.db2.gz RYHVGISOQVUCHP-IAGOWNOFSA-N 1 0 363.527 2.894 20 10 FFCDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862234274 730679272 /nfs/dbraw/zinc/67/92/72/730679272.db2.gz JZERVYZMKJJOBM-AWEZNQCLSA-N 1 0 355.276 2.988 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)cc1 ZINC000868035221 731253511 /nfs/dbraw/zinc/25/35/11/731253511.db2.gz OSDNMKDURZDQJI-PBHICJAKSA-N 1 0 356.495 2.530 20 10 FFCDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1C ZINC000873136523 731879503 /nfs/dbraw/zinc/87/95/03/731879503.db2.gz CWVNGKHVHWORMG-UHFFFAOYSA-N 1 0 353.406 2.851 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000876945461 732301475 /nfs/dbraw/zinc/30/14/75/732301475.db2.gz ZEJONKJZDMZLFX-UHFFFAOYSA-N 1 0 353.513 2.532 20 10 FFCDRO O=S1(=O)C[C@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@@H]2C1 ZINC000877793007 732433477 /nfs/dbraw/zinc/43/34/77/732433477.db2.gz LSUQHFWMYGTFLZ-IEBWSBKVSA-N 1 0 357.475 2.926 20 10 FFCDRO CC(=O)c1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000881853083 733120790 /nfs/dbraw/zinc/12/07/90/733120790.db2.gz ITVVSADCPJZZRS-UHFFFAOYSA-N 1 0 357.479 2.633 20 10 FFCDRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000886732667 733823109 /nfs/dbraw/zinc/82/31/09/733823109.db2.gz NPBYMXLYVNFOBQ-INIZCTEOSA-N 1 0 365.543 2.752 20 10 FFCDRO Cc1nc(C)c(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000891243688 734404144 /nfs/dbraw/zinc/40/41/44/734404144.db2.gz SPENWCFURLDWHN-QGZVFWFLSA-N 1 0 360.527 2.788 20 10 FFCDRO Cc1csc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891249080 734404453 /nfs/dbraw/zinc/40/44/53/734404453.db2.gz PGMAQOFRAMMLJO-KRWDZBQOSA-N 1 0 360.527 2.869 20 10 FFCDRO [NH3+][C@@H]1CCCCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000891370154 734420603 /nfs/dbraw/zinc/42/06/03/734420603.db2.gz VZJMWEDACUHDOW-QGZVFWFLSA-N 1 0 362.543 2.653 20 10 FFCDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000729980137 734606680 /nfs/dbraw/zinc/60/66/80/734606680.db2.gz MCPPSJSQZXHQIS-MRXNPFEDSA-N 1 0 361.511 2.996 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=S)NC(C)(C)C)cc2F)CC1 ZINC000730155492 734618760 /nfs/dbraw/zinc/61/87/60/734618760.db2.gz CDXLHZOAZKWEQK-UHFFFAOYSA-N 1 0 352.523 2.730 20 10 FFCDRO CSCCCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893098220 734650741 /nfs/dbraw/zinc/65/07/41/734650741.db2.gz IRUJPIYRJTVENP-KRWDZBQOSA-N 1 0 352.548 2.798 20 10 FFCDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000730827196 734652962 /nfs/dbraw/zinc/65/29/62/734652962.db2.gz XPONCYLKQWZMLS-GASCZTMLSA-N 1 0 350.482 2.954 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)c(O)c1OC ZINC000894121664 734804962 /nfs/dbraw/zinc/80/49/62/734804962.db2.gz WIQKBMFFWNYSTJ-SREVYHEPSA-N 1 0 352.431 2.580 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894432883 734857432 /nfs/dbraw/zinc/85/74/32/734857432.db2.gz VXBWDUCKYIFLPJ-STQMWFEESA-N 1 0 360.223 2.878 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(N3CCNC3=O)cc2)c1O ZINC000895606172 735031068 /nfs/dbraw/zinc/03/10/68/735031068.db2.gz ZUMJEHAASSCEOL-UHFFFAOYSA-N 1 0 361.829 2.874 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000895718995 735047510 /nfs/dbraw/zinc/04/75/10/735047510.db2.gz KTXZZEDQKRNWRL-CXAGYDPISA-N 1 0 361.515 2.872 20 10 FFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)[C@H]1CCCOC1 ZINC000895853326 735064591 /nfs/dbraw/zinc/06/45/91/735064591.db2.gz DZKNJUAIXRDPPW-WFASDCNBSA-N 1 0 358.276 2.994 20 10 FFCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740006453 735064841 /nfs/dbraw/zinc/06/48/41/735064841.db2.gz NLXZLNWLDWICLW-SUMWQHHRSA-N 1 0 353.488 2.787 20 10 FFCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740006451 735065079 /nfs/dbraw/zinc/06/50/79/735065079.db2.gz NLXZLNWLDWICLW-DYVFJYSZSA-N 1 0 353.488 2.787 20 10 FFCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000741753838 735160514 /nfs/dbraw/zinc/16/05/14/735160514.db2.gz CDRPKZQBXOZACE-HNNXBMFYSA-N 1 0 361.511 2.983 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000896912311 735188013 /nfs/dbraw/zinc/18/80/13/735188013.db2.gz SBCPBYLNNOVJPM-UHFFFAOYSA-N 1 0 352.232 2.639 20 10 FFCDRO O=C1OCCCN1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000897589333 735251954 /nfs/dbraw/zinc/25/19/54/735251954.db2.gz KDKWOOGDAWXHDG-UHFFFAOYSA-N 1 0 369.259 2.961 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(OCC)c2O)CCOCC1 ZINC000897745282 735272251 /nfs/dbraw/zinc/27/22/51/735272251.db2.gz DWRCCHJAEXSVMW-CQSZACIVSA-N 1 0 351.443 2.629 20 10 FFCDRO CCc1cc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)c(O)c(C(C)(C)C)c1 ZINC000749968158 735763782 /nfs/dbraw/zinc/76/37/82/735763782.db2.gz GTDGWWNIPILJBG-INIZCTEOSA-N 1 0 368.543 2.766 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1O ZINC000750045910 735768139 /nfs/dbraw/zinc/76/81/39/735768139.db2.gz PZOZRROUFXYQKD-QGZVFWFLSA-N 1 0 366.889 2.935 20 10 FFCDRO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000751601992 735898128 /nfs/dbraw/zinc/89/81/28/735898128.db2.gz UXQDJHJEGAEAGT-INIZCTEOSA-N 1 0 350.528 2.980 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 ZINC000902671049 735979762 /nfs/dbraw/zinc/97/97/62/735979762.db2.gz HFFUVEDVEFRMFC-DEOSSOPVSA-N 1 0 353.532 2.795 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825393 735996331 /nfs/dbraw/zinc/99/63/31/735996331.db2.gz MQMDEJIGVQMAGC-OLZOCXBDSA-N 1 0 351.401 2.736 20 10 FFCDRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000903217707 736057504 /nfs/dbraw/zinc/05/75/04/736057504.db2.gz CSCQKWASKITXJJ-HUUCEWRRSA-N 1 0 365.905 2.696 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903534875 736109339 /nfs/dbraw/zinc/10/93/39/736109339.db2.gz UIPIBLOOCXKYAJ-QWHCGFSZSA-N 1 0 350.768 2.960 20 10 FFCDRO COc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754742162 736192699 /nfs/dbraw/zinc/19/26/99/736192699.db2.gz QUPDLPBXWDBRTO-ZDUSSCGKSA-N 1 0 355.500 2.565 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000904392741 736248226 /nfs/dbraw/zinc/24/82/26/736248226.db2.gz YQICBOYNYPJACX-CQSZACIVSA-N 1 0 369.303 2.793 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904430529 736250835 /nfs/dbraw/zinc/25/08/35/736250835.db2.gz ISRVBAMVWHQUKK-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)c2c1c(F)ccc2O ZINC000756397197 736327578 /nfs/dbraw/zinc/32/75/78/736327578.db2.gz OYRDBYQXSRFJDD-XHDPSFHLSA-N 1 0 364.442 2.559 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(Br)cc1O ZINC000756791825 736361450 /nfs/dbraw/zinc/36/14/50/736361450.db2.gz VGVBLVHISCUFIJ-SNVBAGLBSA-N 1 0 351.248 2.862 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccc(Br)cc1O ZINC000757654698 736416446 /nfs/dbraw/zinc/41/64/46/736416446.db2.gz NHSQYGJYVOQPGM-CMPLNLGQSA-N 1 0 362.289 2.773 20 10 FFCDRO COC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000761203638 736707474 /nfs/dbraw/zinc/70/74/74/736707474.db2.gz XCJITHLSILETNH-UHFFFAOYSA-N 1 0 357.834 2.598 20 10 FFCDRO C[NH+](C)[C@H]1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761316953 736721826 /nfs/dbraw/zinc/72/18/26/736721826.db2.gz FGQQHXMWZMFOGT-GJZGRUSLSA-N 1 0 365.861 2.683 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000764608850 737034901 /nfs/dbraw/zinc/03/49/01/737034901.db2.gz KDDJFAPOCLHULE-BXUZGUMPSA-N 1 0 355.276 2.843 20 10 FFCDRO O=C(NCCCSc1nccs1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000765533557 737130435 /nfs/dbraw/zinc/13/04/35/737130435.db2.gz HHDUWLVHYUPFEV-CQSZACIVSA-N 1 0 354.545 2.941 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(Br)c1O ZINC000765535208 737130922 /nfs/dbraw/zinc/13/09/22/737130922.db2.gz OCZSKUXNSHTJQM-CYBMUJFWSA-N 1 0 370.291 2.828 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000765694635 737145608 /nfs/dbraw/zinc/14/56/08/737145608.db2.gz VIFJOTAYPKBRJU-AWEZNQCLSA-N 1 0 367.877 2.670 20 10 FFCDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765982095 737180426 /nfs/dbraw/zinc/18/04/26/737180426.db2.gz ZLHQZJCRGMZJMN-OAHLLOKOSA-N 1 0 362.495 2.928 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1csc(C[NH3+])n1 ZINC000911632889 737218793 /nfs/dbraw/zinc/21/87/93/737218793.db2.gz LUWUSMRBFKKODQ-UHFFFAOYSA-N 1 0 358.511 2.793 20 10 FFCDRO CS(=O)(=O)NC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768230209 737407661 /nfs/dbraw/zinc/40/76/61/737407661.db2.gz RNZKJDCWTBYNPH-UHFFFAOYSA-N 1 0 360.479 2.573 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000769428850 737529201 /nfs/dbraw/zinc/52/92/01/737529201.db2.gz VEJSENUGNDKWCP-LJQANCHMSA-N 1 0 367.559 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3Nc4ccc(Cl)cc4C(=O)N3)cc2)CC1 ZINC000771518425 737732147 /nfs/dbraw/zinc/73/21/47/737732147.db2.gz ROBKWEALMLJMIK-SFHVURJKSA-N 1 0 356.857 2.946 20 10 FFCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773026493 737864225 /nfs/dbraw/zinc/86/42/25/737864225.db2.gz NASKPMKNYKMXKI-LSDHHAIUSA-N 1 0 356.894 2.879 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]Cc2cc(N(C)C)ccn2)c1O ZINC000922479126 738152262 /nfs/dbraw/zinc/15/22/62/738152262.db2.gz QYFAAHRWOBKVPX-UHFFFAOYSA-N 1 0 366.259 2.914 20 10 FFCDRO COc1cc(N2CC[NH+](CCC(C)(C)OC)CC2)cc(OC)c1OC ZINC000787301578 739124568 /nfs/dbraw/zinc/12/45/68/739124568.db2.gz IMOCBZURNZZSGL-UHFFFAOYSA-N 1 0 352.475 2.650 20 10 FFCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@H]1C ZINC000787420001 739135075 /nfs/dbraw/zinc/13/50/75/739135075.db2.gz BSVRYZZIDZJEOV-JOYOIKCWSA-N 1 0 358.232 2.547 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000789764218 739386042 /nfs/dbraw/zinc/38/60/42/739386042.db2.gz VBGHQWONXPXIJV-ZDUSSCGKSA-N 1 0 357.292 2.616 20 10 FFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(OC)c(OC)cc2O)s1 ZINC000793203842 739752305 /nfs/dbraw/zinc/75/23/05/739752305.db2.gz JCHDXUDOQAHMDY-UHFFFAOYSA-N 1 0 371.480 2.554 20 10 FFCDRO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000793365918 739774232 /nfs/dbraw/zinc/77/42/32/739774232.db2.gz JZNVJRYBDLHWHM-UHFFFAOYSA-N 1 0 352.450 2.683 20 10 FFCDRO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000793699566 739806381 /nfs/dbraw/zinc/80/63/81/739806381.db2.gz RIHANNAJBWUEAP-CYBMUJFWSA-N 1 0 363.479 2.884 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000797117249 740213701 /nfs/dbraw/zinc/21/37/01/740213701.db2.gz LYGKLZGMYWJHEY-ZWKOTPCHSA-N 1 0 353.532 2.607 20 10 FFCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c2c1c(F)ccc2O ZINC000797115045 740213766 /nfs/dbraw/zinc/21/37/66/740213766.db2.gz YAFQSOJQAHOQBF-SCDSUCTJSA-N 1 0 362.367 2.932 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000799160678 740394419 /nfs/dbraw/zinc/39/44/19/740394419.db2.gz KQUKKDMJVGHCGI-LJQANCHMSA-N 1 0 351.443 2.501 20 10 FFCDRO C[S@](=O)C1(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000799348816 740411594 /nfs/dbraw/zinc/41/15/94/740411594.db2.gz QVJKGGORVOJMMS-DEOSSOPVSA-N 1 0 351.472 2.586 20 10 FFCDRO CCCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1O ZINC000801598043 740635651 /nfs/dbraw/zinc/63/56/51/740635651.db2.gz SVPOEMBCRACITO-UHFFFAOYSA-N 1 0 362.495 2.884 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805185630 740948331 /nfs/dbraw/zinc/94/83/31/740948331.db2.gz KNAMAXGLUWOEMH-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(O)c1 ZINC000806182834 741045475 /nfs/dbraw/zinc/04/54/75/741045475.db2.gz DOCNJMHPLUGXNT-CVEARBPZSA-N 1 0 360.479 2.814 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000806664069 741079308 /nfs/dbraw/zinc/07/93/08/741079308.db2.gz ZHEMTNCUEOODJW-SKDRFNHKSA-N 1 0 361.305 2.673 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1O ZINC000808674318 741251481 /nfs/dbraw/zinc/25/14/81/741251481.db2.gz DUBTWWZZCGNGHW-LBPRGKRZSA-N 1 0 368.886 2.895 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810210073 741398224 /nfs/dbraw/zinc/39/82/24/741398224.db2.gz MUMUTJMPATVHLD-GWCFXTLKSA-N 1 0 351.390 2.886 20 10 FFCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811953151 741577411 /nfs/dbraw/zinc/57/74/11/741577411.db2.gz XZNFSNLSDQJRMT-LLVKDONJSA-N 1 0 358.280 2.683 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2cc(Br)ccc2O)n(C)c1C ZINC000812765997 741650464 /nfs/dbraw/zinc/65/04/64/741650464.db2.gz CFYAEUGCHXJHIU-UHFFFAOYSA-N 1 0 367.243 2.878 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815569147 741945714 /nfs/dbraw/zinc/94/57/14/741945714.db2.gz IZFHVWIYQNRHAD-MRXNPFEDSA-N 1 0 362.495 2.947 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1F ZINC000817159886 742098804 /nfs/dbraw/zinc/09/88/04/742098804.db2.gz OMMRHJQVUGZSFY-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO C[NH+]1CCN(c2ccc(NCc3cc(Cl)cc(F)c3O)cn2)CC1 ZINC000817405373 742138521 /nfs/dbraw/zinc/13/85/21/742138521.db2.gz DDVHJGDZDRXGJD-UHFFFAOYSA-N 1 0 350.825 2.944 20 10 FFCDRO COC[C@@]1(CN[C@H](C)c2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000817974294 742226182 /nfs/dbraw/zinc/22/61/82/742226182.db2.gz KODVWQRITBWDJM-WBMJQRKESA-N 1 0 357.292 2.882 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F ZINC000818964331 742316027 /nfs/dbraw/zinc/31/60/27/742316027.db2.gz RTQKBUQCGMOLTH-CYBMUJFWSA-N 1 0 372.309 2.555 20 10 FFCDRO CCOCC[C@H](O)C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819002730 742323426 /nfs/dbraw/zinc/32/34/26/742323426.db2.gz OGGREJKBDZFNKQ-INIZCTEOSA-N 1 0 358.429 2.634 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000819096366 742336953 /nfs/dbraw/zinc/33/69/53/742336953.db2.gz NUCXSAALYYAWIL-UHFFFAOYSA-N 1 0 360.454 2.765 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)CC1CCCC1 ZINC000819122308 742340305 /nfs/dbraw/zinc/34/03/05/742340305.db2.gz URDOUOVFJPJGIB-SFHVURJKSA-N 1 0 350.478 2.818 20 10 FFCDRO CN(Cc1cccc(S(C)(=O)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000824166193 743030438 /nfs/dbraw/zinc/03/04/38/743030438.db2.gz DIOCVDYGJLVMTH-UHFFFAOYSA-N 1 0 362.495 2.667 20 10 FFCDRO OCC[N@H+](CCOCC(F)(F)F)Cc1ccc(Br)cc1O ZINC000824777171 743146992 /nfs/dbraw/zinc/14/69/92/743146992.db2.gz LNHMIDWYATZTMQ-UHFFFAOYSA-N 1 0 372.181 2.528 20 10 FFCDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1)C(F)(F)F ZINC000824827550 743156901 /nfs/dbraw/zinc/15/69/01/743156901.db2.gz FWPZKDRDAKHBOP-JQWIXIFHSA-N 1 0 362.779 2.888 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825550050 743292031 /nfs/dbraw/zinc/29/20/31/743292031.db2.gz WJXFEWUIGMMPDC-KGLIPLIRSA-N 1 0 372.259 2.697 20 10 FFCDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000825629495 743303417 /nfs/dbraw/zinc/30/34/17/743303417.db2.gz XWGLZIOHKQUZFV-GDBMZVCRSA-N 1 0 358.276 2.810 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000825779279 743326270 /nfs/dbraw/zinc/32/62/70/743326270.db2.gz IZPHJCBVDAPNTM-CQSZACIVSA-N 1 0 369.303 2.699 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000825885907 743338157 /nfs/dbraw/zinc/33/81/57/743338157.db2.gz LCLUEHBTQMQSOA-SWLSCSKDSA-N 1 0 360.907 2.552 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1SC ZINC000827661929 744956944 /nfs/dbraw/zinc/95/69/44/744956944.db2.gz IIAVTVMBZWWOSQ-OTWHNJEPSA-N 1 0 350.528 2.646 20 10 FFCDRO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000827855794 744991864 /nfs/dbraw/zinc/99/18/64/744991864.db2.gz INUFUWWRDWRJHK-OAHLLOKOSA-N 1 0 357.292 2.697 20 10 FFCDRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCSc1nccs1 ZINC000829527752 745217962 /nfs/dbraw/zinc/21/79/62/745217962.db2.gz FDADGAVUCDMCNW-AWEZNQCLSA-N 1 0 360.508 2.793 20 10 FFCDRO CCOc1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000832274538 745669679 /nfs/dbraw/zinc/66/96/79/745669679.db2.gz VBCIYVWHAQTEPM-INIZCTEOSA-N 1 0 362.861 2.630 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncsc2C(F)(F)F)cc1 ZINC000832285198 745671337 /nfs/dbraw/zinc/67/13/37/745671337.db2.gz PPKMWZZJRJZIDD-LLVKDONJSA-N 1 0 358.389 2.658 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]1SC ZINC000839146142 746788143 /nfs/dbraw/zinc/78/81/43/746788143.db2.gz XOPDYLUKPCYOJL-NUJGCVRESA-N 1 0 372.481 2.800 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000840931763 747231968 /nfs/dbraw/zinc/23/19/68/747231968.db2.gz JSWNFJKSSDCVGC-INIZCTEOSA-N 1 0 350.409 2.869 20 10 FFCDRO CCOC1CC(C[NH2+]Cc2c(O)cc(C)cc2Cl)(N2CCOCC2)C1 ZINC000840940870 747236247 /nfs/dbraw/zinc/23/62/47/747236247.db2.gz MWLYJHMCKRTPQK-UHFFFAOYSA-N 1 0 368.905 2.714 20 10 FFCDRO [O-]c1c(Br)cc(Br)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000841027071 747258408 /nfs/dbraw/zinc/25/84/08/747258408.db2.gz VSIUPSLKLYPLLS-UHFFFAOYSA-N 1 0 364.081 2.759 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000841041844 747259909 /nfs/dbraw/zinc/25/99/09/747259909.db2.gz FSDJWCUGKYDRGW-QGZVFWFLSA-N 1 0 361.873 2.967 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(Cl)cc1O ZINC000841754011 747449524 /nfs/dbraw/zinc/44/95/24/747449524.db2.gz OYZHYNWINSOBNE-DOMZBBRYSA-N 1 0 362.861 2.621 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000841798182 747463033 /nfs/dbraw/zinc/46/30/33/747463033.db2.gz GJWQOPNSEFBWNZ-IBGZPJMESA-N 1 0 350.482 2.861 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1F ZINC000841799003 747463600 /nfs/dbraw/zinc/46/36/00/747463600.db2.gz ONXRKAVZODRVEX-INIZCTEOSA-N 1 0 350.482 2.813 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[NH2+]CC3)cc2Cl)C1 ZINC000841895317 747484140 /nfs/dbraw/zinc/48/41/40/747484140.db2.gz AJFYMWAGGYQOCD-AWEZNQCLSA-N 1 0 350.894 2.691 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000842784974 747687317 /nfs/dbraw/zinc/68/73/17/747687317.db2.gz JFHGFPFCKOLCGC-MRXNPFEDSA-N 1 0 369.437 2.669 20 10 FFCDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000842901695 747716595 /nfs/dbraw/zinc/71/65/95/747716595.db2.gz KEMLOCGMIBNZLC-AWEZNQCLSA-N 1 0 363.893 2.589 20 10 FFCDRO NC(=O)[C@@H](c1cccc(Br)c1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350785 747815354 /nfs/dbraw/zinc/81/53/54/747815354.db2.gz VAZQNNDMMKZMBY-QGZVFWFLSA-N 1 0 374.282 2.887 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000844183509 747984254 /nfs/dbraw/zinc/98/42/54/747984254.db2.gz DTMOAKVTNYLYPY-QGZVFWFLSA-N 1 0 351.441 2.784 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000846168538 748419301 /nfs/dbraw/zinc/41/93/01/748419301.db2.gz AINRNAPMZNJSDM-NSHDSACASA-N 1 0 367.243 2.676 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848405508 748919598 /nfs/dbraw/zinc/91/95/98/748919598.db2.gz NEQNVTPQKJWUDF-RHSMWYFYSA-N 1 0 367.287 2.893 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000848533657 748952305 /nfs/dbraw/zinc/95/23/05/748952305.db2.gz MEPRMDGPHKVASS-YGRLFVJLSA-N 1 0 374.275 2.601 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848536108 748953385 /nfs/dbraw/zinc/95/33/85/748953385.db2.gz KKTCWVFXFCGWIO-XWIASGKRSA-N 1 0 371.275 2.729 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000848572846 748963423 /nfs/dbraw/zinc/96/34/23/748963423.db2.gz WLQBKBXYNOCZSK-BXKDBHETSA-N 1 0 355.232 2.789 20 10 FFCDRO CCc1cccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000848916483 749034115 /nfs/dbraw/zinc/03/41/15/749034115.db2.gz VCGDLGIDSCQKED-DZGCQCFKSA-N 1 0 356.388 2.797 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c(C)nc4sc(C)nn34)C2)cc1 ZINC000850346805 749346849 /nfs/dbraw/zinc/34/68/49/749346849.db2.gz KJSXKYIYOJHXML-CQSZACIVSA-N 1 0 357.483 2.785 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000850519590 749380649 /nfs/dbraw/zinc/38/06/49/749380649.db2.gz NVYARWKFGINOMW-AWEZNQCLSA-N 1 0 352.422 2.770 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000852680866 749923430 /nfs/dbraw/zinc/92/34/30/749923430.db2.gz BBVDNLQQYXPKSA-CYBMUJFWSA-N 1 0 350.846 2.693 20 10 FFCDRO COCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000133825305 845656579 /nfs/dbraw/zinc/65/65/79/845656579.db2.gz HRTONOZXFDTNOU-OAHLLOKOSA-N 1 0 354.878 2.799 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000397439501 845867347 /nfs/dbraw/zinc/86/73/47/845867347.db2.gz QSTBAPAUXADVTK-LSDHHAIUSA-N 1 0 350.459 2.987 20 10 FFCDRO COc1ccc(C[N@H+](CCO)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000895709720 970887350 /nfs/dbraw/zinc/88/73/50/970887350.db2.gz COBBUWPRLBICNH-UHFFFAOYSA-N 1 0 356.466 2.526 20 10 FFCDRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000895745772 970910980 /nfs/dbraw/zinc/91/09/80/970910980.db2.gz BCPPRSPRMQPPEV-MOPGFXCFSA-N 1 0 357.450 2.991 20 10 FFCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000895813164 970980032 /nfs/dbraw/zinc/98/00/32/970980032.db2.gz FFOCXPWFUFJCCO-INIZCTEOSA-N 1 0 367.493 2.815 20 10 FFCDRO CCOCCN1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001275836892 1013058216 /nfs/dbraw/zinc/05/82/16/1013058216.db2.gz IQKHERKXZDXBMI-GOSISDBHSA-N 1 0 352.862 2.507 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CCc3ccc(F)c(F)c3)cc2)CC1 ZINC000896054610 971190704 /nfs/dbraw/zinc/19/07/04/971190704.db2.gz XBJPYKNBXVNXQI-UHFFFAOYSA-N 1 0 373.447 2.999 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837744 1013067962 /nfs/dbraw/zinc/06/79/62/1013067962.db2.gz RXWCWICXMFITPY-FZKQIMNGSA-N 1 0 352.862 2.647 20 10 FFCDRO CC(C)CN1C[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275840442 1013070258 /nfs/dbraw/zinc/07/02/58/1013070258.db2.gz KCVLLPINUPEFAX-SFHVURJKSA-N 1 0 352.862 2.505 20 10 FFCDRO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000893329857 971608233 /nfs/dbraw/zinc/60/82/33/971608233.db2.gz SWZINQFSGYUSHM-MRXNPFEDSA-N 1 0 356.445 2.521 20 10 FFCDRO CN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000193950592 972111478 /nfs/dbraw/zinc/11/14/78/972111478.db2.gz CFIAXCDNKOWEBL-UHFFFAOYSA-N 1 0 367.493 2.857 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275894682 1013159392 /nfs/dbraw/zinc/15/93/92/1013159392.db2.gz AHPINFAQRWEVMZ-SFHVURJKSA-N 1 0 361.829 2.658 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(N(C)C(C)=O)CC2)c1O ZINC000748077757 959565092 /nfs/dbraw/zinc/56/50/92/959565092.db2.gz SKYZVDSZJXMLGT-UHFFFAOYSA-N 1 0 370.449 2.775 20 10 FFCDRO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001279106860 960396275 /nfs/dbraw/zinc/39/62/75/960396275.db2.gz GPTSNHBXIRVTCE-FQEVSTJZSA-N 1 0 367.484 2.910 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)[NH+]2CCCC2)c1 ZINC000177658498 961992434 /nfs/dbraw/zinc/99/24/34/961992434.db2.gz IDRNKTDZAHMKPZ-GOSISDBHSA-N 1 0 370.449 2.982 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cncn2C)NC(=O)OC(C)(C)C)cc1 ZINC000773408527 1013320969 /nfs/dbraw/zinc/32/09/69/1013320969.db2.gz HZWZKZRJVDKJJF-SFHVURJKSA-N 1 0 373.501 2.842 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891254960 962613675 /nfs/dbraw/zinc/61/36/75/962613675.db2.gz KZENMQLAZFFUTQ-GOSISDBHSA-N 1 0 374.416 2.833 20 10 FFCDRO Cc1cc(C)n([C@@H](C)CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891255143 962615377 /nfs/dbraw/zinc/61/53/77/962615377.db2.gz NFJNUZOZBANFTL-FXAWDEMLSA-N 1 0 371.529 2.936 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1C ZINC000873069586 1013372457 /nfs/dbraw/zinc/37/24/57/1013372457.db2.gz LYSPQUPVPQYXRA-UZLBHIALSA-N 1 0 359.470 2.594 20 10 FFCDRO O=C1N(Cc2ccncc2)CC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001276064497 1013386819 /nfs/dbraw/zinc/38/68/19/1013386819.db2.gz SJXGPRTZMFJVKJ-FQEVSTJZSA-N 1 0 355.413 2.551 20 10 FFCDRO Cn1ccc2nc(Cl)nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)c21 ZINC001167422967 963010004 /nfs/dbraw/zinc/01/00/04/963010004.db2.gz IQUKQKGRVPDCAZ-UHFFFAOYSA-N 1 0 370.888 2.986 20 10 FFCDRO Cn1c2ccccc2cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC001167434089 963176439 /nfs/dbraw/zinc/17/64/39/963176439.db2.gz AZZSGRPGKCQUHF-UHFFFAOYSA-N 1 0 362.477 2.902 20 10 FFCDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160661816 963265556 /nfs/dbraw/zinc/26/55/56/963265556.db2.gz JQXZGPFDIIVGSQ-OALUTQOASA-N 1 0 373.497 2.567 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(C(N)=O)c4[nH]ccc43)cc2)CC1 ZINC001167436990 963270306 /nfs/dbraw/zinc/27/03/06/963270306.db2.gz KDQZIMROOMIKBH-UHFFFAOYSA-N 1 0 363.465 2.631 20 10 FFCDRO O=C([C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1)N1CCOCC1 ZINC000124439193 1013415092 /nfs/dbraw/zinc/41/50/92/1013415092.db2.gz DPUXVFAXMWHQQV-HXUWFJFHSA-N 1 0 371.525 2.748 20 10 FFCDRO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)CC1 ZINC000588403284 963562447 /nfs/dbraw/zinc/56/24/47/963562447.db2.gz CJYVYNJTFSCEFJ-OQFOIZHKSA-N 1 0 353.422 2.502 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894302852 964406684 /nfs/dbraw/zinc/40/66/84/964406684.db2.gz ZRRFDFWQUUQHTO-SFHVURJKSA-N 1 0 367.449 2.637 20 10 FFCDRO CCc1nc(C)c(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000895036029 967176514 /nfs/dbraw/zinc/17/65/14/967176514.db2.gz KJWAKWDKCYBYQS-QGZVFWFLSA-N 1 0 373.501 2.714 20 10 FFCDRO CCc1[nH]c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1C(=O)OC ZINC000895334452 970389515 /nfs/dbraw/zinc/38/95/15/970389515.db2.gz MYYYGERPBLWCPC-UHFFFAOYSA-N 1 0 371.481 2.615 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1F ZINC000875180170 1013986546 /nfs/dbraw/zinc/98/65/46/1013986546.db2.gz KRZHGBGEYSOUPL-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c(O)c1OC ZINC000893073297 970560484 /nfs/dbraw/zinc/56/04/84/970560484.db2.gz HKRZRXYGYPEBQM-XJKSGUPXSA-N 1 0 356.422 2.693 20 10 FFCDRO CC[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CCO1 ZINC000895420191 970606881 /nfs/dbraw/zinc/60/68/81/970606881.db2.gz UPWJADRVRWCDBW-QRQLOZEOSA-N 1 0 362.518 2.612 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c(O)c1OC ZINC000895481279 970670453 /nfs/dbraw/zinc/67/04/53/970670453.db2.gz LYLQHWAZIDUQIL-IBGZPJMESA-N 1 0 358.438 2.798 20 10 FFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)C2)cc1F ZINC000895504892 970675416 /nfs/dbraw/zinc/67/54/16/970675416.db2.gz XWIACAYIFHWWOP-CYBMUJFWSA-N 1 0 374.368 2.551 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)Nc3nn(C)c(C)c3C[NH3+])ccc21 ZINC000662835953 974282554 /nfs/dbraw/zinc/28/25/54/974282554.db2.gz QYHGCJVXKYNEMV-UHFFFAOYSA-N 1 0 369.469 2.657 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC2CC[NH2+]CC2)CCCC1 ZINC000652556730 975238396 /nfs/dbraw/zinc/23/83/96/975238396.db2.gz OTCHTENGOJFEBV-UHFFFAOYSA-N 1 0 355.482 2.645 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)CCCC1 ZINC000652557041 975239272 /nfs/dbraw/zinc/23/92/72/975239272.db2.gz VXZKCHXGARGQPN-LSDHHAIUSA-N 1 0 355.482 2.867 20 10 FFCDRO C[C@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237501233 976066323 /nfs/dbraw/zinc/06/63/23/976066323.db2.gz OYEZSJHZXINGOK-IEBWSBKVSA-N 1 0 359.514 2.507 20 10 FFCDRO COc1ccc(C(=O)N2CC[NH+](Cc3c(C)cccc3O)CC2)cc1OC ZINC000876560858 1014304475 /nfs/dbraw/zinc/30/44/75/1014304475.db2.gz OSMGTWNGEYKZNO-UHFFFAOYSA-N 1 0 370.449 2.676 20 10 FFCDRO Cc1noc(C2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)n1 ZINC000876612109 1014323671 /nfs/dbraw/zinc/32/36/71/1014323671.db2.gz BSKMQFNKJYFTDR-UHFFFAOYSA-N 1 0 356.470 2.719 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccccc2-n2cncn2)N(C)C)cc1 ZINC000898450978 976461636 /nfs/dbraw/zinc/46/16/36/976461636.db2.gz GGNXATKUHVBORQ-NRFANRHFSA-N 1 0 364.497 2.726 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)c2cncn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000898887900 976749210 /nfs/dbraw/zinc/74/92/10/976749210.db2.gz FXSPAFFDCNLMDN-KRWDZBQOSA-N 1 0 372.856 2.944 20 10 FFCDRO CCc1nocc1CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103639 976913893 /nfs/dbraw/zinc/91/38/93/976913893.db2.gz NWHVXRMVFIMJCW-LJQANCHMSA-N 1 0 373.501 2.747 20 10 FFCDRO CC(C)O[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000899098596 976922504 /nfs/dbraw/zinc/92/25/04/976922504.db2.gz PQZBSPSJCJYZMV-MOPGFXCFSA-N 1 0 362.518 2.564 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000876768822 1014383993 /nfs/dbraw/zinc/38/39/93/1014383993.db2.gz ZMMSYDZQSURDIG-OXJNMPFZSA-N 1 0 355.482 2.610 20 10 FFCDRO C[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccc(N2CCOCC2)cc1 ZINC000876986763 1014441596 /nfs/dbraw/zinc/44/15/96/1014441596.db2.gz KIPKEFLHNAQFPN-CQSZACIVSA-N 1 0 363.408 2.931 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCCc2cnn(C)c2)c2cc(F)ccc2n1C ZINC000894215326 978288957 /nfs/dbraw/zinc/28/89/57/978288957.db2.gz PXVSEVPHYAAPGL-UHFFFAOYSA-N 1 0 358.417 2.560 20 10 FFCDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877127279 1014480500 /nfs/dbraw/zinc/48/05/00/1014480500.db2.gz CVSXNENHLYPBHF-JOCHJYFZSA-N 1 0 370.493 2.870 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1 ZINC000877127623 1014481874 /nfs/dbraw/zinc/48/18/74/1014481874.db2.gz LMCGMMJVDIJHNH-NRFANRHFSA-N 1 0 358.457 2.784 20 10 FFCDRO CCCNC(=O)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877355653 1014560236 /nfs/dbraw/zinc/56/02/36/1014560236.db2.gz OGJQRTVKSPXQLN-UHFFFAOYSA-N 1 0 373.541 2.966 20 10 FFCDRO C[C@H](O)[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000877611785 1014645559 /nfs/dbraw/zinc/64/55/59/1014645559.db2.gz ZTUQSKHSHHQGNS-YCRPNKLZSA-N 1 0 358.457 2.999 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c1 ZINC000877676695 1014671908 /nfs/dbraw/zinc/67/19/08/1014671908.db2.gz BUXQWVFHSANBEY-UHFFFAOYSA-N 1 0 364.486 2.894 20 10 FFCDRO CO[C@H]1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)Cc3cccnc3N2C1 ZINC000877688866 1014684163 /nfs/dbraw/zinc/68/41/63/1014684163.db2.gz WIISUWIELCXIQZ-UXHICEINSA-N 1 0 352.482 2.757 20 10 FFCDRO COc1cc(O)c(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)cc1OC ZINC000877714278 1014694962 /nfs/dbraw/zinc/69/49/62/1014694962.db2.gz SGUAEWBKKWKARE-MRXNPFEDSA-N 1 0 355.438 2.789 20 10 FFCDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCN(C(C)=O)C3)cc2)CC1 ZINC001168193505 980954651 /nfs/dbraw/zinc/95/46/51/980954651.db2.gz QUTLBWGFBAOONJ-IBGZPJMESA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906653332 981111195 /nfs/dbraw/zinc/11/11/95/981111195.db2.gz RNICLKCKAFEOBD-UHFFFAOYSA-N 1 0 368.481 2.510 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1 ZINC000877831712 1014747581 /nfs/dbraw/zinc/74/75/81/1014747581.db2.gz XOJKTGLRBBGCRT-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000911277946 982187422 /nfs/dbraw/zinc/18/74/22/982187422.db2.gz YGJOKXIUXDHCDF-ZWKOTPCHSA-N 1 0 359.514 2.760 20 10 FFCDRO C[C@H]1CC2(CC(NC(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)C2)CO1 ZINC000897789074 982516840 /nfs/dbraw/zinc/51/68/40/982516840.db2.gz FGBOCLMQVDIHOL-CSLHUZTASA-N 1 0 374.529 2.612 20 10 FFCDRO Oc1cc(F)c(F)cc1CN1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001142527126 982578825 /nfs/dbraw/zinc/57/88/25/982578825.db2.gz LMTCVJQVVBISOC-UHFFFAOYSA-N 1 0 374.313 2.801 20 10 FFCDRO O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)C2)nc[nH]1 ZINC000898159155 982630371 /nfs/dbraw/zinc/63/03/71/982630371.db2.gz PGOQZWVWNWPRMA-QGZVFWFLSA-N 1 0 353.470 2.541 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000826030859 1014912676 /nfs/dbraw/zinc/91/26/76/1014912676.db2.gz TWCODXBJRZOPJU-HXUWFJFHSA-N 1 0 359.514 2.779 20 10 FFCDRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC000651157344 1015010592 /nfs/dbraw/zinc/01/05/92/1015010592.db2.gz NFOCOMWNDYFJSM-MRXNPFEDSA-N 1 0 369.509 2.987 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN(c2ccc(OC)cc2)[C@H](C)C2CC2)CC1 ZINC000151264751 984237923 /nfs/dbraw/zinc/23/79/23/984237923.db2.gz ARJGXQAJQSNKJR-MRXNPFEDSA-N 1 0 359.514 2.901 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(CC(C)C)CC1)cc2=O ZINC000760924621 984580083 /nfs/dbraw/zinc/58/00/83/984580083.db2.gz IFRKNBUAEHXRRO-UHFFFAOYSA-N 1 0 360.458 2.870 20 10 FFCDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000765361479 985043927 /nfs/dbraw/zinc/04/39/27/985043927.db2.gz VUOGYEHVJSDNCY-OXQOHEQNSA-N 1 0 358.482 2.990 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3scnc3C3CC3)CC2)cc1 ZINC000785435322 985227853 /nfs/dbraw/zinc/22/78/53/985227853.db2.gz AETWZSQRCAZPLM-UHFFFAOYSA-N 1 0 372.538 2.941 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000765625112 985240281 /nfs/dbraw/zinc/24/02/81/985240281.db2.gz FCDCHMQXDSFRRK-UXHICEINSA-N 1 0 360.546 2.736 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccco3)cc2F)CC1 ZINC000171520055 985300627 /nfs/dbraw/zinc/30/06/27/985300627.db2.gz FZFXOQRFLDSGIJ-UHFFFAOYSA-N 1 0 359.445 2.810 20 10 FFCDRO Fc1cc(C[NH2+]C2CCCC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139819690 985466531 /nfs/dbraw/zinc/46/65/31/985466531.db2.gz CLUQPZPQZBGQAJ-UHFFFAOYSA-N 1 0 355.461 2.975 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000176583250 987934857 /nfs/dbraw/zinc/93/48/57/987934857.db2.gz XZAZRBQYURXVKN-MJGOQNOKSA-N 1 0 374.529 2.790 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(F)cc43)cc2)CC1 ZINC000765977390 988184371 /nfs/dbraw/zinc/18/43/71/988184371.db2.gz HIXUEYGASULJOX-FQEVSTJZSA-N 1 0 374.481 2.838 20 10 FFCDRO COc1ccc(C[NH2+]CCCO[C@@H]2CCCCO2)cc1Cn1cccn1 ZINC000922232387 988215299 /nfs/dbraw/zinc/21/52/99/988215299.db2.gz USCOWWNRPSUNMT-HXUWFJFHSA-N 1 0 359.470 2.963 20 10 FFCDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000922451762 988607046 /nfs/dbraw/zinc/60/70/46/988607046.db2.gz RLYLASPVHJEVFG-UHFFFAOYSA-N 1 0 374.506 2.693 20 10 FFCDRO COC[C@H](C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC001106819705 989243620 /nfs/dbraw/zinc/24/36/20/989243620.db2.gz PENBFRAGPWKXKQ-SZVBFZGTSA-N 1 0 362.514 2.860 20 10 FFCDRO COc1c(NCc2cc(Cl)c3cccnc3c2O)ncnc1C1C[NH2+]C1 ZINC001168521668 989991105 /nfs/dbraw/zinc/99/11/05/989991105.db2.gz GBAGIRBGFJICAP-UHFFFAOYSA-N 1 0 371.828 2.691 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000796508783 1015594434 /nfs/dbraw/zinc/59/44/34/1015594434.db2.gz CUMYFPJLZMFHRY-LJQANCHMSA-N 1 0 374.506 2.963 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C2CC2)cc1 ZINC000921113361 990976376 /nfs/dbraw/zinc/97/63/76/990976376.db2.gz YCYDGYNKZANWBA-SFTDATJTSA-N 1 0 371.525 2.887 20 10 FFCDRO COc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000923422127 991133352 /nfs/dbraw/zinc/13/33/52/991133352.db2.gz IXUSEFGVJKVCGR-QFIPXVFZSA-N 1 0 367.493 2.678 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000179439841 991256875 /nfs/dbraw/zinc/25/68/75/991256875.db2.gz AICVQMXNDILHNI-UHFFFAOYSA-N 1 0 360.498 2.636 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000879651167 1015624919 /nfs/dbraw/zinc/62/49/19/1015624919.db2.gz LBRVWJPLTDQSNC-IFXJQAMLSA-N 1 0 358.413 2.782 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549558 991467444 /nfs/dbraw/zinc/46/74/44/991467444.db2.gz IYDSKTFSHTUOGJ-IAGOWNOFSA-N 1 0 362.518 2.614 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1OC ZINC000182591394 992181131 /nfs/dbraw/zinc/18/11/31/992181131.db2.gz RBUYXNNBLFKMSQ-UHFFFAOYSA-N 1 0 372.343 2.992 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2C[N@H+](CCCC(F)(F)F)C[C@H]21 ZINC001272706025 992409204 /nfs/dbraw/zinc/40/92/04/992409204.db2.gz IXPFVEASOSQAMY-UONOGXRCSA-N 1 0 372.387 2.516 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc4c3OCCO4)c2)CC1 ZINC000184278042 992715015 /nfs/dbraw/zinc/71/50/15/992715015.db2.gz XNZFYEGUXWRZSN-UHFFFAOYSA-N 1 0 367.449 2.852 20 10 FFCDRO COCCN(CC[NH+](C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809741253 994601816 /nfs/dbraw/zinc/60/18/16/994601816.db2.gz RLDWGEVNIQWRTK-UHFFFAOYSA-N 1 0 364.490 2.595 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[C@H]3CCOC3)C[C@H]2C)cc1C ZINC001082468612 994663596 /nfs/dbraw/zinc/66/35/96/994663596.db2.gz BGOKUGCZNUTBGJ-ZIFCJYIRSA-N 1 0 360.498 2.757 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810209069 994738028 /nfs/dbraw/zinc/73/80/28/994738028.db2.gz LHXXEZSCQMYZOI-INIZCTEOSA-N 1 0 373.419 2.616 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)cc1C ZINC001082510096 994752139 /nfs/dbraw/zinc/75/21/39/994752139.db2.gz WNXGRLCJPMSLEH-UKRRQHHQSA-N 1 0 352.425 2.985 20 10 FFCDRO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000903433434 1015887846 /nfs/dbraw/zinc/88/78/46/1015887846.db2.gz WOLYZCKUMPNYGG-INIZCTEOSA-N 1 0 356.470 2.680 20 10 FFCDRO CN(C)c1ccc([C@@H](CN[C@@H](c2ncc[nH]2)c2cccnc2)[NH+](C)C)cc1 ZINC000903448291 1015897734 /nfs/dbraw/zinc/89/77/34/1015897734.db2.gz MSXMFOBURKADBF-WOJBJXKFSA-N 1 0 364.497 2.853 20 10 FFCDRO O=C(CCc1ncccn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812535881 995458373 /nfs/dbraw/zinc/45/83/73/995458373.db2.gz JECUWLWMYYCAPI-MRXNPFEDSA-N 1 0 374.872 2.549 20 10 FFCDRO COc1cc(O)c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1OC ZINC000812778857 995531892 /nfs/dbraw/zinc/53/18/92/995531892.db2.gz QAFYQBRSDDUXIW-QGZVFWFLSA-N 1 0 358.438 2.588 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)Cc3cccc(F)c3)CC2)cc1 ZINC000824501584 996979582 /nfs/dbraw/zinc/97/95/82/996979582.db2.gz PJQQYWMUBJMYBI-HXUWFJFHSA-N 1 0 358.457 2.996 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000824685340 997052372 /nfs/dbraw/zinc/05/23/72/997052372.db2.gz DMNKCIINVOVGOV-QZTJIDSGSA-N 1 0 374.529 2.505 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)ccc1OC ZINC000825046378 997193955 /nfs/dbraw/zinc/19/39/55/997193955.db2.gz SOYLSUOEFXTWSA-PXNSSMCTSA-N 1 0 359.470 2.975 20 10 FFCDRO CCOC(=O)c1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)[nH]c1C ZINC000826846176 1016100180 /nfs/dbraw/zinc/10/01/80/1016100180.db2.gz QKCLFKYFWLHUPY-HNNXBMFYSA-N 1 0 357.454 2.877 20 10 FFCDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000825299582 997302201 /nfs/dbraw/zinc/30/22/01/997302201.db2.gz NXQQLDXAAUCZHZ-UHFFFAOYSA-N 1 0 370.493 2.916 20 10 FFCDRO COC1CCN(C2(C[NH2+]Cc3cc4c(cc3O)OCO4)CCCC2)CC1 ZINC000730817078 997507635 /nfs/dbraw/zinc/50/76/35/997507635.db2.gz GAWHZIBMGKCDLS-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2F)C[C@@H](C)O1 ZINC000844172531 997692680 /nfs/dbraw/zinc/69/26/80/997692680.db2.gz IPRFVHSTVJRCFS-HUUCEWRRSA-N 1 0 363.477 2.717 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cn2nccc2-c2ccncc2)cc1 ZINC000844725215 998096296 /nfs/dbraw/zinc/09/62/96/998096296.db2.gz IIYKBTYRMSUWGM-UHFFFAOYSA-N 1 0 351.454 2.979 20 10 FFCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144306715 998301515 /nfs/dbraw/zinc/30/15/15/998301515.db2.gz NCWRYLZSUXWFKT-UHFFFAOYSA-N 1 0 367.218 2.995 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCCCCO1 ZINC000845085554 998325164 /nfs/dbraw/zinc/32/51/64/998325164.db2.gz DWYRIWIEAYYODQ-UHFFFAOYSA-N 1 0 372.513 2.846 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001144504131 998612341 /nfs/dbraw/zinc/61/23/41/998612341.db2.gz MODCIGUNIMKGES-OLZOCXBDSA-N 1 0 364.442 2.777 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)cc(O)cc2O)CC1(C)C ZINC001144514460 998625829 /nfs/dbraw/zinc/62/58/29/998625829.db2.gz FWMNJYOCQSVKKW-UHFFFAOYSA-N 1 0 352.431 2.635 20 10 FFCDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NCc1ccccc1O ZINC000732459002 998671876 /nfs/dbraw/zinc/67/18/76/998671876.db2.gz NYMCISLIFQBACG-UHFFFAOYSA-N 1 0 369.465 2.866 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CC3(C)C)CC2)cc1 ZINC000732828167 998791785 /nfs/dbraw/zinc/79/17/85/998791785.db2.gz PCLGOTPPJFUCMN-QGZVFWFLSA-N 1 0 374.529 2.553 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[NH+](C2CCC2)CC1 ZINC000733642725 999036491 /nfs/dbraw/zinc/03/64/91/999036491.db2.gz SMTOHTKPBGOXGY-UHFFFAOYSA-N 1 0 374.554 2.620 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)N1c1cnn(C)c1 ZINC000742390984 999771526 /nfs/dbraw/zinc/77/15/26/999771526.db2.gz XYTZTGKIEYALRH-OXQOHEQNSA-N 1 0 367.497 2.694 20 10 FFCDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000742373793 999772484 /nfs/dbraw/zinc/77/24/84/999772484.db2.gz FAARHJAERPTCLW-HXUWFJFHSA-N 1 0 362.445 2.869 20 10 FFCDRO C[NH+](C)CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745253058 999901734 /nfs/dbraw/zinc/90/17/34/999901734.db2.gz HEUDDWKBLDZSPT-AWEZNQCLSA-N 1 0 370.444 2.508 20 10 FFCDRO COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CC2=O)cc1 ZINC001168899148 1000005041 /nfs/dbraw/zinc/00/50/41/1000005041.db2.gz CQICSDQDZVHLKS-IBGZPJMESA-N 1 0 366.461 2.911 20 10 FFCDRO O=C(OC1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1)c1ccccc1 ZINC001169268301 1000037543 /nfs/dbraw/zinc/03/75/43/1000037543.db2.gz LSTVYILSJQFKDL-LBXVMSDZSA-N 1 0 371.433 2.889 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000741794525 1000121791 /nfs/dbraw/zinc/12/17/91/1000121791.db2.gz WGWZYJFQNHGGOE-MSOLQXFVSA-N 1 0 359.514 2.854 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)CC1 ZINC000845936341 1000186658 /nfs/dbraw/zinc/18/66/58/1000186658.db2.gz KCKDLRPZRYEIMO-UHFFFAOYSA-N 1 0 370.518 2.700 20 10 FFCDRO Cn1ccnc1[C@@H](Cc1ccccc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846056511 1000195281 /nfs/dbraw/zinc/19/52/81/1000195281.db2.gz HJRFSDRTDZCWBC-MRXNPFEDSA-N 1 0 351.406 2.928 20 10 FFCDRO COc1ccc(O)c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000846050240 1000197701 /nfs/dbraw/zinc/19/77/01/1000197701.db2.gz ZMAAVMNMERWCOY-IRLDBZIGSA-N 1 0 368.477 2.876 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCOC)CC2)cc1F ZINC000768237902 1000200105 /nfs/dbraw/zinc/20/01/05/1000200105.db2.gz NSZSTMXHCOHHHL-UHFFFAOYSA-N 1 0 365.493 2.647 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000846167957 1000214812 /nfs/dbraw/zinc/21/48/12/1000214812.db2.gz PJSVHHIMDZFMJW-HZPDHXFCSA-N 1 0 370.449 2.731 20 10 FFCDRO NC(=O)CC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768442368 1000248386 /nfs/dbraw/zinc/24/83/86/1000248386.db2.gz TXCWXMFVJPUBOP-UHFFFAOYSA-N 1 0 360.458 2.673 20 10 FFCDRO COc1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)c(O)cc1C ZINC000768442498 1000248937 /nfs/dbraw/zinc/24/89/37/1000248937.db2.gz RGSCUNNYRFKFIB-UHFFFAOYSA-N 1 0 356.466 2.906 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC3(C)C)cc2F)CC1 ZINC000806022198 1000250115 /nfs/dbraw/zinc/25/01/15/1000250115.db2.gz SNNYIRANNMYSII-SFHVURJKSA-N 1 0 362.493 2.955 20 10 FFCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)[C@H](O)CO2 ZINC000768464928 1000263316 /nfs/dbraw/zinc/26/33/16/1000263316.db2.gz XMSBTCMECCQRMK-YLJYHZDGSA-N 1 0 355.434 2.652 20 10 FFCDRO CC[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000768533415 1000287433 /nfs/dbraw/zinc/28/74/33/1000287433.db2.gz OJNDTIBDAURUGB-NHCUHLMSSA-N 1 0 371.525 2.792 20 10 FFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768944683 1000380853 /nfs/dbraw/zinc/38/08/53/1000380853.db2.gz FZBAQVPVJNVQHG-CQSZACIVSA-N 1 0 367.465 2.665 20 10 FFCDRO C[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846703926 1000414277 /nfs/dbraw/zinc/41/42/77/1000414277.db2.gz RJMCLKKDZOHZMZ-DYVFJYSZSA-N 1 0 352.394 2.704 20 10 FFCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(O)c1 ZINC000846950953 1000494932 /nfs/dbraw/zinc/49/49/32/1000494932.db2.gz SCAWDWZKMTUBRS-IBGZPJMESA-N 1 0 368.477 2.972 20 10 FFCDRO COc1cccc(O)c1C[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000769466292 1000528140 /nfs/dbraw/zinc/52/81/40/1000528140.db2.gz JGTICPDHYKMLMQ-UHFFFAOYSA-N 1 0 355.482 2.655 20 10 FFCDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)CC2 ZINC001171282975 1000729923 /nfs/dbraw/zinc/72/99/23/1000729923.db2.gz BMYXRXZFAPFOHT-SGTLLEGYSA-N 1 0 363.841 2.940 20 10 FFCDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)CC2 ZINC001171282976 1000730635 /nfs/dbraw/zinc/73/06/35/1000730635.db2.gz BMYXRXZFAPFOHT-XIKOKIGWSA-N 1 0 363.841 2.940 20 10 FFCDRO CN(C(=O)/C=C/c1cnccn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000771444448 1001116180 /nfs/dbraw/zinc/11/61/80/1001116180.db2.gz DOBMPHXBUMJBEB-RUDMXATFSA-N 1 0 352.438 2.627 20 10 FFCDRO CC[NH+]1CCC(CC2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)CC1 ZINC001148588567 1001176581 /nfs/dbraw/zinc/17/65/81/1001176581.db2.gz UUJVLRCPIVGTTC-UHFFFAOYSA-N 1 0 362.470 2.778 20 10 FFCDRO COc1ccc2c(c1)CCCN2CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000771754134 1001196639 /nfs/dbraw/zinc/19/66/39/1001196639.db2.gz QTHSRYNJHAYJMI-NRFANRHFSA-N 1 0 367.493 2.867 20 10 FFCDRO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1O ZINC001276191558 1016502798 /nfs/dbraw/zinc/50/27/98/1016502798.db2.gz LUSSTBOJBUWZCP-CWTRNNRKSA-N 1 0 366.408 2.605 20 10 FFCDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000786722645 1001619874 /nfs/dbraw/zinc/61/98/74/1001619874.db2.gz AHEPQPWASMSLBQ-KRWDZBQOSA-N 1 0 362.518 2.567 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000788586153 1001828065 /nfs/dbraw/zinc/82/80/65/1001828065.db2.gz YRURJTFQJVLRSQ-SPLOXXLWSA-N 1 0 367.449 2.914 20 10 FFCDRO COC(=O)CC[N@H+](Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC001204342192 1001901524 /nfs/dbraw/zinc/90/15/24/1001901524.db2.gz QKGZRAGSDJZEMV-UHFFFAOYSA-N 1 0 358.232 2.691 20 10 FFCDRO Cc1cc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c(C)n1-c1ccccn1 ZINC000789770807 1002185060 /nfs/dbraw/zinc/18/50/60/1002185060.db2.gz FYNRJWZDEULHNE-KRWDZBQOSA-N 1 0 357.454 2.755 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000792275903 1002969761 /nfs/dbraw/zinc/96/97/61/1002969761.db2.gz GEXBPCWNIKDJJV-MRXNPFEDSA-N 1 0 354.454 2.598 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000792275902 1002970350 /nfs/dbraw/zinc/97/03/50/1002970350.db2.gz GEXBPCWNIKDJJV-INIZCTEOSA-N 1 0 354.454 2.598 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000793092316 1003274783 /nfs/dbraw/zinc/27/47/83/1003274783.db2.gz NIQQOISCBSQFHA-CRAIPNDOSA-N 1 0 369.465 2.863 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(O)c1 ZINC000793146730 1003292706 /nfs/dbraw/zinc/29/27/06/1003292706.db2.gz AYBNLMDJQXRTIF-ZBFHGGJFSA-N 1 0 361.486 2.853 20 10 FFCDRO O=C(C[C@H]1CCCOC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000793762352 1003483611 /nfs/dbraw/zinc/48/36/11/1003483611.db2.gz ZROHNYLINGKLOS-HXUWFJFHSA-N 1 0 371.525 2.652 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000747341271 1004378183 /nfs/dbraw/zinc/37/81/83/1004378183.db2.gz CZKZNKXTKLJBGY-UXHICEINSA-N 1 0 353.466 2.687 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000806809534 1004420554 /nfs/dbraw/zinc/42/05/54/1004420554.db2.gz BECQAMXTQYWWKD-KUHUBIRLSA-N 1 0 357.454 2.891 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775832003 1004543647 /nfs/dbraw/zinc/54/36/47/1004543647.db2.gz WCDMIQRBRZTXKA-INIZCTEOSA-N 1 0 368.481 2.819 20 10 FFCDRO Cc1cccc(OCCNC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834019 1004571732 /nfs/dbraw/zinc/57/17/32/1004571732.db2.gz ODZWXHFZZMWNCI-QGZVFWFLSA-N 1 0 355.482 2.907 20 10 FFCDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccco1 ZINC000807442025 1004602233 /nfs/dbraw/zinc/60/22/33/1004602233.db2.gz UEQUGGIIIBOTKV-XJKSGUPXSA-N 1 0 361.442 2.922 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000775649453 1004935820 /nfs/dbraw/zinc/93/58/20/1004935820.db2.gz RPYQGKIMNORVBJ-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]3C(C)C)cc2F)CC1 ZINC000776042357 1005064867 /nfs/dbraw/zinc/06/48/67/1005064867.db2.gz SLXSUFWDDNHHAG-SFHVURJKSA-N 1 0 362.493 2.908 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2nccn2C)NC(=O)OC(C)(C)C)cc1 ZINC001201749903 1005261149 /nfs/dbraw/zinc/26/11/49/1005261149.db2.gz CQGWIWFGMXLVIM-KRWDZBQOSA-N 1 0 373.501 2.842 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(-c4ccccc4C)nn3)C2)cc1 ZINC000850347480 1005809121 /nfs/dbraw/zinc/80/91/21/1005809121.db2.gz SIEZGIJTDHAYEA-QGZVFWFLSA-N 1 0 363.465 2.953 20 10 FFCDRO COCCOc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405720 1005813655 /nfs/dbraw/zinc/81/36/55/1005813655.db2.gz ASJMOKRVPZRKDW-UHFFFAOYSA-N 1 0 370.493 2.963 20 10 FFCDRO CC(=O)Nc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405716 1005813733 /nfs/dbraw/zinc/81/37/33/1005813733.db2.gz APGMXZVVTKIKES-UHFFFAOYSA-N 1 0 353.466 2.896 20 10 FFCDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850423582 1005814724 /nfs/dbraw/zinc/81/47/24/1005814724.db2.gz BXWNAUCOTHQIGQ-SFHVURJKSA-N 1 0 366.477 2.584 20 10 FFCDRO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CCOCC1 ZINC000850492956 1005818484 /nfs/dbraw/zinc/81/84/84/1005818484.db2.gz RTZHDRBZPDTGPV-BEFAXECRSA-N 1 0 366.477 2.755 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(N2CCCCCC2)cc1 ZINC000850506624 1005819273 /nfs/dbraw/zinc/81/92/73/1005819273.db2.gz GCOXQESQRPHTBI-NQIIRXRSSA-N 1 0 362.514 2.886 20 10 FFCDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000850568309 1005823124 /nfs/dbraw/zinc/82/31/24/1005823124.db2.gz VFOFKSJIPSBRSG-SFHVURJKSA-N 1 0 368.477 2.750 20 10 FFCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851841519 1005917103 /nfs/dbraw/zinc/91/71/03/1005917103.db2.gz UZRRFEGQKIJFFS-MRXNPFEDSA-N 1 0 362.470 2.993 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C2)cc1 ZINC000852452682 1006034048 /nfs/dbraw/zinc/03/40/48/1006034048.db2.gz DGTMWHUZFBURNA-KRWDZBQOSA-N 1 0 362.518 2.692 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000852595167 1006095443 /nfs/dbraw/zinc/09/54/43/1006095443.db2.gz RPQLJYKBCZJGOL-NRFANRHFSA-N 1 0 373.541 2.992 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCC3CC[NH+](CC4CC4)CC3)ccc21 ZINC000852707732 1006154079 /nfs/dbraw/zinc/15/40/79/1006154079.db2.gz JVAWAWBZUWLDBU-UHFFFAOYSA-N 1 0 370.541 2.990 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000852707727 1006154339 /nfs/dbraw/zinc/15/43/39/1006154339.db2.gz JOPVGQPKPKNCQC-CQSZACIVSA-N 1 0 361.486 2.883 20 10 FFCDRO C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)c1ccc(N2CCOCC2)cc1 ZINC000852862654 1006212094 /nfs/dbraw/zinc/21/20/94/1006212094.db2.gz IFYOHLFELYWHNC-MRXNPFEDSA-N 1 0 365.477 2.660 20 10 FFCDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868528 1006213875 /nfs/dbraw/zinc/21/38/75/1006213875.db2.gz IGLOSYOFEYHOFU-FQEVSTJZSA-N 1 0 359.514 2.562 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(F)cccc1F ZINC000853122060 1006304631 /nfs/dbraw/zinc/30/46/31/1006304631.db2.gz LSXWSWJDZBJFIG-IBGZPJMESA-N 1 0 362.420 2.749 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)c(F)c2)[NH+](C)C)cc1 ZINC001134686659 1006438774 /nfs/dbraw/zinc/43/87/74/1006438774.db2.gz RFXQFZDURJDTBG-LJQANCHMSA-N 1 0 361.436 2.992 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000814909607 1006463321 /nfs/dbraw/zinc/46/33/21/1006463321.db2.gz LLLHGTFDAXSGRM-XZXOBPBMSA-N 1 0 359.426 2.703 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)CO3)cc2)CC1 ZINC000883253649 1006717245 /nfs/dbraw/zinc/71/72/45/1006717245.db2.gz YKTZDFAGLNXWCI-NRFANRHFSA-N 1 0 374.525 2.713 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H]3c4ccccc4OC[C@H]3F)cc2)CC1 ZINC000883290756 1006735799 /nfs/dbraw/zinc/73/57/99/1006735799.db2.gz FXFOTZMWNQHTAP-TZIWHRDSSA-N 1 0 355.457 3.000 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000854300759 1006766466 /nfs/dbraw/zinc/76/64/66/1006766466.db2.gz ZSFOIXAFHBPIOP-QRQLOZEOSA-N 1 0 372.513 2.542 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC3(F)F)cc2)CC1 ZINC000883727404 1006970749 /nfs/dbraw/zinc/97/07/49/1006970749.db2.gz SUUFWFZDIYAXPT-MRXNPFEDSA-N 1 0 366.456 2.673 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCc3ccccc3CC2)cc1 ZINC000112634981 1006978953 /nfs/dbraw/zinc/97/89/53/1006978953.db2.gz SSGAFHBHWFPBHQ-UHFFFAOYSA-N 1 0 351.494 2.812 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000132954856 1007026394 /nfs/dbraw/zinc/02/63/94/1007026394.db2.gz FYMBSWSMJLFXLP-SFHVURJKSA-N 1 0 373.541 2.755 20 10 FFCDRO Oc1c(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000816539584 1007103859 /nfs/dbraw/zinc/10/38/59/1007103859.db2.gz LVTISAYUULBWHR-INIZCTEOSA-N 1 0 367.401 2.804 20 10 FFCDRO C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000775257050 1007110452 /nfs/dbraw/zinc/11/04/52/1007110452.db2.gz DUYSKQMLYICRFK-IRXDYDNUSA-N 1 0 371.525 2.963 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)cc1 ZINC000855227126 1007192202 /nfs/dbraw/zinc/19/22/02/1007192202.db2.gz TXEHDFQULIJQIR-FOIQADDNSA-N 1 0 363.477 2.603 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccc(C)cn3)CC2)cc1 ZINC000133660296 1007222934 /nfs/dbraw/zinc/22/29/34/1007222934.db2.gz FGPXZFCRHLPYIC-UHFFFAOYSA-N 1 0 354.498 2.701 20 10 FFCDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)N2CCOCC2)o1 ZINC000113316471 1007320608 /nfs/dbraw/zinc/32/06/08/1007320608.db2.gz HADCATHQIQXFAZ-IBGZPJMESA-N 1 0 361.461 2.956 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2)c1 ZINC000775368619 1007512117 /nfs/dbraw/zinc/51/21/17/1007512117.db2.gz CCAZVUWZUYRSQT-QWHCGFSZSA-N 1 0 357.410 2.788 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2OC)c1 ZINC000775369371 1007537661 /nfs/dbraw/zinc/53/76/61/1007537661.db2.gz AECSZQWCSAKJDG-HOCLYGCPSA-N 1 0 361.438 2.638 20 10 FFCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000817413410 1007592179 /nfs/dbraw/zinc/59/21/79/1007592179.db2.gz XMKONRTVITUPTE-JCNLHEQBSA-N 1 0 374.485 2.966 20 10 FFCDRO c1ccc(CN2CCc3cc(C[NH2+][C@H]4CCc5nnnn5CC4)ccc32)cc1 ZINC000817420199 1007594757 /nfs/dbraw/zinc/59/47/57/1007594757.db2.gz PORGMKRWSZMTBR-FQEVSTJZSA-N 1 0 374.492 2.731 20 10 FFCDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000817865380 1007789238 /nfs/dbraw/zinc/78/92/38/1007789238.db2.gz PYSCRPGQQPZBSL-AEFFLSMTSA-N 1 0 359.514 2.527 20 10 FFCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000817865381 1007789712 /nfs/dbraw/zinc/78/97/12/1007789712.db2.gz PYSCRPGQQPZBSL-FUHWJXTLSA-N 1 0 359.514 2.527 20 10 FFCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903929 1007805327 /nfs/dbraw/zinc/80/53/27/1007805327.db2.gz XCMIAYPBBPLQIE-GOEBONIOSA-N 1 0 369.456 2.613 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC3([NH3+])CCCCCC3)C2)cc1 ZINC000818653612 1007959523 /nfs/dbraw/zinc/95/95/23/1007959523.db2.gz PENSHBOFLVOJKW-QGZVFWFLSA-N 1 0 374.529 2.872 20 10 FFCDRO Cc1cc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)ccc1N(C)C ZINC000856807076 1007984319 /nfs/dbraw/zinc/98/43/19/1007984319.db2.gz KKTKFAUVUHRKSF-UHFFFAOYSA-N 1 0 370.472 2.621 20 10 FFCDRO CN(C[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)OC(C)(C)C ZINC000818954764 1007991484 /nfs/dbraw/zinc/99/14/84/1007991484.db2.gz WIPBXQQJWVVMJO-GOSISDBHSA-N 1 0 363.502 2.604 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1O ZINC000858490562 1008368209 /nfs/dbraw/zinc/36/82/09/1008368209.db2.gz ZKRUZMMWDJVEEY-HIFRSBDPSA-N 1 0 372.860 2.803 20 10 FFCDRO CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858504749 1008370827 /nfs/dbraw/zinc/37/08/27/1008370827.db2.gz XODGHQDGKUASAZ-YOEHRIQHSA-N 1 0 362.445 2.965 20 10 FFCDRO C[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000858528951 1008376071 /nfs/dbraw/zinc/37/60/71/1008376071.db2.gz UOFFQOHJWMESPN-KUHUBIRLSA-N 1 0 369.440 2.876 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCC1CC=CC1 ZINC000858721120 1008407991 /nfs/dbraw/zinc/40/79/91/1008407991.db2.gz PQCUPHQMMHWULB-UHFFFAOYSA-N 1 0 368.525 2.984 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000858761253 1008417740 /nfs/dbraw/zinc/41/77/40/1008417740.db2.gz SBKCVFPUUNRFCV-UHFFFAOYSA-N 1 0 353.466 2.660 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000822237781 1008544379 /nfs/dbraw/zinc/54/43/79/1008544379.db2.gz ISUUAJZVJORTKA-BBTUJRGHSA-N 1 0 371.525 2.760 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886302654 1008631071 /nfs/dbraw/zinc/63/10/71/1008631071.db2.gz SLHYGBYEUVJZCU-OAQYLSRUSA-N 1 0 374.525 2.979 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CN(C)CCOc2ccc(F)cc2)cc1 ZINC000137615895 1008632557 /nfs/dbraw/zinc/63/25/57/1008632557.db2.gz SHMPAUARPCPJBW-UHFFFAOYSA-N 1 0 359.445 2.519 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)ccc1C ZINC000886325169 1008637459 /nfs/dbraw/zinc/63/74/59/1008637459.db2.gz XNQGQGATSOTZGK-UHFFFAOYSA-N 1 0 367.493 2.995 20 10 FFCDRO Cc1nn(C)c(OCC(F)(F)F)c1CNCc1ccc2c(c1)CCO2 ZINC001177586415 1008668563 /nfs/dbraw/zinc/66/85/63/1008668563.db2.gz CTABRWQIPJXNOW-UHFFFAOYSA-N 1 0 355.360 2.894 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cnn(C)c1 ZINC000886751567 1008859111 /nfs/dbraw/zinc/85/91/11/1008859111.db2.gz UNSZXJIRGSRNBX-FQEVSTJZSA-N 1 0 369.513 2.609 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000886749633 1008859348 /nfs/dbraw/zinc/85/93/48/1008859348.db2.gz YCYKLEKKFXNMHW-HXUWFJFHSA-N 1 0 371.525 2.827 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000823124894 1008929471 /nfs/dbraw/zinc/92/94/71/1008929471.db2.gz JLOZSAUOMMXHKA-GOSISDBHSA-N 1 0 361.486 2.567 20 10 FFCDRO CCN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@](O)(c2ccnn2C)C3)cc1 ZINC000887052387 1009000130 /nfs/dbraw/zinc/00/01/30/1009000130.db2.gz TXBWYMVIEQNSHK-KXTWHKPSSA-N 1 0 354.498 2.891 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](CC)c1ccncc1)cc2=O ZINC000130284294 1009325670 /nfs/dbraw/zinc/32/56/70/1009325670.db2.gz MPDOIWMBQGXSCW-MRXNPFEDSA-N 1 0 369.425 2.590 20 10 FFCDRO [NH3+]CCCOCCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000861525461 1009452645 /nfs/dbraw/zinc/45/26/45/1009452645.db2.gz XWIYKRFAOASKBC-UHFFFAOYSA-N 1 0 369.425 2.522 20 10 FFCDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001180080524 1009552793 /nfs/dbraw/zinc/55/27/93/1009552793.db2.gz DGCLBLBWMOZVKS-AWEZNQCLSA-N 1 0 361.461 2.878 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000861808508 1009566304 /nfs/dbraw/zinc/56/63/04/1009566304.db2.gz MHMQXBUSVNMYAO-OXJNMPFZSA-N 1 0 351.450 2.683 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722840 1009699034 /nfs/dbraw/zinc/69/90/34/1009699034.db2.gz RCZCNTQDXZGPJR-UHFFFAOYSA-N 1 0 369.509 2.979 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC001180463134 1009707164 /nfs/dbraw/zinc/70/71/64/1009707164.db2.gz ZQWYYBFUIQWCQM-UHFFFAOYSA-N 1 0 359.514 2.646 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000862754291 1009958231 /nfs/dbraw/zinc/95/82/31/1009958231.db2.gz WTVLGKZCAAVOJS-RTBURBONSA-N 1 0 370.497 2.564 20 10 FFCDRO CN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889673761 1010049974 /nfs/dbraw/zinc/04/99/74/1010049974.db2.gz OSUMGIIICZWPQX-UHFFFAOYSA-N 1 0 370.472 2.919 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889772877 1010104805 /nfs/dbraw/zinc/10/48/05/1010104805.db2.gz CMVOWIPCUZNKNO-DLBZAZTESA-N 1 0 373.522 2.827 20 10 FFCDRO COC(=O)[C@@]1(OC)CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000863297668 1010163430 /nfs/dbraw/zinc/16/34/30/1010163430.db2.gz ZVPKUZRZXQIYRP-HXUWFJFHSA-N 1 0 359.422 2.781 20 10 FFCDRO COc1ccc([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)cc1F ZINC000863334818 1010183086 /nfs/dbraw/zinc/18/30/86/1010183086.db2.gz IUWYDJTXZXYFDX-SCLBCKFNSA-N 1 0 359.397 2.955 20 10 FFCDRO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000119576417 1010283672 /nfs/dbraw/zinc/28/36/72/1010283672.db2.gz GOMARGQLLREMTD-UZLBHIALSA-N 1 0 353.466 2.791 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](OC)C(C)C)C[C@H]2C)cc1C ZINC001094014988 1010776770 /nfs/dbraw/zinc/77/67/70/1010776770.db2.gz VCUIBSQIGLUDBH-POAQFYNOSA-N 1 0 362.514 2.859 20 10 FFCDRO c1cc(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)cc2c1OCC2 ZINC000865440066 1010786744 /nfs/dbraw/zinc/78/67/44/1010786744.db2.gz DOHURHGOWIUJEQ-UHFFFAOYSA-N 1 0 368.477 2.622 20 10 FFCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000866237809 1010959206 /nfs/dbraw/zinc/95/92/06/1010959206.db2.gz KDURELSMIRHCTQ-FXAWDEMLSA-N 1 0 366.509 2.894 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1O ZINC000866577373 1011019067 /nfs/dbraw/zinc/01/90/67/1011019067.db2.gz NMKHXIRVZPINMJ-AWEZNQCLSA-N 1 0 355.438 2.777 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000773312134 1011318332 /nfs/dbraw/zinc/31/83/32/1011318332.db2.gz TZIHJENFXXDRTJ-SJORKVTESA-N 1 0 374.529 2.614 20 10 FFCDRO O=C(C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(O)c(O)c1 ZINC001171517907 1011365206 /nfs/dbraw/zinc/36/52/06/1011365206.db2.gz QAIKUTIUKBIQFQ-LLVKDONJSA-N 1 0 351.324 2.845 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1C ZINC001274752263 1011634377 /nfs/dbraw/zinc/63/43/77/1011634377.db2.gz YCWMPESKMXSBHT-TXJVSEOTSA-N 1 0 360.498 2.803 20 10 FFCDRO CN1CC2(CCC1=O)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC001275249077 1012142571 /nfs/dbraw/zinc/14/25/71/1012142571.db2.gz WNTUHJFVJBHTLO-UHFFFAOYSA-N 1 0 367.287 2.989 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001275254869 1012148103 /nfs/dbraw/zinc/14/81/03/1012148103.db2.gz WXUSHTTWNNKZMH-LJQANCHMSA-N 1 0 366.889 2.895 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)c1O ZINC001275279612 1012190582 /nfs/dbraw/zinc/19/05/82/1012190582.db2.gz JYZMMICZYJYBCE-ZIAGYGMSSA-N 1 0 372.387 2.924 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1O ZINC001275279984 1012193715 /nfs/dbraw/zinc/19/37/15/1012193715.db2.gz RAMFKANTSBHUAS-QGZVFWFLSA-N 1 0 372.387 2.783 20 10 FFCDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001173146037 1012291793 /nfs/dbraw/zinc/29/17/93/1012291793.db2.gz VCLZDKMAGBGDBP-QGZVFWFLSA-N 1 0 354.450 2.625 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCOC1 ZINC000796363652 1012357779 /nfs/dbraw/zinc/35/77/79/1012357779.db2.gz QTLSASWIQYVXCS-FCHUYYIVSA-N 1 0 366.505 2.984 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C4CCCC4)C3)C2)c(O)c1 ZINC001275388142 1012410538 /nfs/dbraw/zinc/41/05/38/1012410538.db2.gz NWLOMWVQFUYMDP-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2F)C[C@H](C)O1 ZINC000870869444 1012612507 /nfs/dbraw/zinc/61/25/07/1012612507.db2.gz SHEMYOQCAJVDNH-OTRWWLKZSA-N 1 0 363.477 2.573 20 10 FFCDRO CN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001275580108 1012640921 /nfs/dbraw/zinc/64/09/21/1012640921.db2.gz UPWBXLGTSPOSEC-LAUBAEHRSA-N 1 0 352.434 2.546 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(N(C)C)cc3)C2)C1=O ZINC001275597460 1012665747 /nfs/dbraw/zinc/66/57/47/1012665747.db2.gz HOOPHHJCTJQXTI-OAQYLSRUSA-N 1 0 359.514 2.602 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001275596554 1012669194 /nfs/dbraw/zinc/66/91/94/1012669194.db2.gz ADXFVOUIJUMPSS-UWJYYQICSA-N 1 0 359.514 2.602 20 10 FFCDRO COCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001275596759 1012669946 /nfs/dbraw/zinc/66/99/46/1012669946.db2.gz BVPDZTXFLMCXES-LJQANCHMSA-N 1 0 359.514 2.507 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)cc1 ZINC001275598242 1012675367 /nfs/dbraw/zinc/67/53/67/1012675367.db2.gz ONOCBTWBPBETLT-INIZCTEOSA-N 1 0 351.441 2.736 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(C4CC4)CC3)cc2F)CC1 ZINC000123461111 1012706820 /nfs/dbraw/zinc/70/68/20/1012706820.db2.gz SRUDHDMGNNMLFU-UHFFFAOYSA-N 1 0 374.504 2.957 20 10 FFCDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204888 1012785210 /nfs/dbraw/zinc/78/52/10/1012785210.db2.gz RPUYSLNXPHNMMD-FLIBITNWSA-N 1 0 352.434 2.888 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)c(O)c(OC)c1 ZINC001275675954 1012824375 /nfs/dbraw/zinc/82/43/75/1012824375.db2.gz LILPRDAMYRIRLI-FQEVSTJZSA-N 1 0 362.470 2.864 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCN(Cc4cnoc4)C3=O)C2)c1O ZINC001275771529 1012989327 /nfs/dbraw/zinc/98/93/27/1012989327.db2.gz PWMVKZUOOHSYQT-HXUWFJFHSA-N 1 0 355.438 2.622 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1O ZINC001275775800 1012993057 /nfs/dbraw/zinc/99/30/57/1012993057.db2.gz TYYKRRMZJMMICH-OAQYLSRUSA-N 1 0 360.498 2.716 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000780188651 1017239380 /nfs/dbraw/zinc/23/93/80/1017239380.db2.gz PHHMTBODWAJAJQ-ROUUACIJSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924727774 1017451673 /nfs/dbraw/zinc/45/16/73/1017451673.db2.gz XIVHPYRNEWNXGA-SUMWQHHRSA-N 1 0 356.470 2.844 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCCC4)cc2)C1 ZINC000924731800 1017453464 /nfs/dbraw/zinc/45/34/64/1017453464.db2.gz ZXMUNFOKJZGQQA-UYAOXDASSA-N 1 0 371.525 2.970 20 10 FFCDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000827336336 1017678383 /nfs/dbraw/zinc/67/83/83/1017678383.db2.gz DNSAFJSZDHFAEK-UHFFFAOYSA-N 1 0 369.465 2.727 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000926874236 1018276246 /nfs/dbraw/zinc/27/62/46/1018276246.db2.gz RNTQIITTXPNTCK-CTNGQTDRSA-N 1 0 371.525 2.683 20 10 FFCDRO CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000926873101 1018276650 /nfs/dbraw/zinc/27/66/50/1018276650.db2.gz KIWIQMPSFLPOSN-WOJBJXKFSA-N 1 0 359.514 2.539 20 10 FFCDRO Cc1cc(C(=O)CN2CCN(C)[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000828610428 1032778551 /nfs/dbraw/zinc/77/85/51/1032778551.db2.gz CLTYJEFCGZBEAV-GJZGRUSLSA-N 1 0 358.461 2.835 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cncnc4)C3)C2)cc1 ZINC001137666123 1032803147 /nfs/dbraw/zinc/80/31/47/1032803147.db2.gz PCVNIBQKJMFOIF-OAQYLSRUSA-N 1 0 368.481 2.604 20 10 FFCDRO CC(C)n1nccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000929306914 1019357830 /nfs/dbraw/zinc/35/78/30/1019357830.db2.gz UUFAKFSQGMIDIQ-QGZVFWFLSA-N 1 0 358.490 2.954 20 10 FFCDRO CCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001070613716 1020035334 /nfs/dbraw/zinc/03/53/34/1020035334.db2.gz UEHSRDJSOZZCKR-QZTJIDSGSA-N 1 0 370.497 2.621 20 10 FFCDRO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2Cc2c(O)ccc3ccccc32)O1 ZINC000902536899 1020266069 /nfs/dbraw/zinc/26/60/69/1020266069.db2.gz LDCKGWMMQIXLMZ-LRQRDZAKSA-N 1 0 357.450 2.940 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc(N4CCOCC4)c3)cc2)CC1 ZINC000802640779 1020285460 /nfs/dbraw/zinc/28/54/60/1020285460.db2.gz SJBDADPBPHYXNX-UHFFFAOYSA-N 1 0 366.509 2.887 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000726612366 1020494534 /nfs/dbraw/zinc/49/45/34/1020494534.db2.gz YPXWPFIMFCAYLC-KRWDZBQOSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1OCC[NH+](C)C ZINC000931767724 1020579242 /nfs/dbraw/zinc/57/92/42/1020579242.db2.gz UCBUENYXMPRJAW-UHFFFAOYSA-N 1 0 371.437 2.889 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217947194 1032913913 /nfs/dbraw/zinc/91/39/13/1032913913.db2.gz QSJAOGODSPJRPT-ZBFHGGJFSA-N 1 0 355.365 2.637 20 10 FFCDRO C[NH2+][C@H]1C[C@H](Oc2ccc(NC(C)=O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001217954722 1032918671 /nfs/dbraw/zinc/91/86/71/1032918671.db2.gz JDPATTSFLBKNFZ-JOCQHMNTSA-N 1 0 364.401 2.550 20 10 FFCDRO COc1c(C)c(OC2CC[NH2+]CC2)cc2c1C(=O)c1ccccc1C2=O ZINC001217964287 1032923122 /nfs/dbraw/zinc/92/31/22/1032923122.db2.gz REGAZRJRUGGXPM-UHFFFAOYSA-N 1 0 351.402 2.910 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000932382738 1020787923 /nfs/dbraw/zinc/78/79/23/1020787923.db2.gz WOWRLPBJIFFRTO-OAQYLSRUSA-N 1 0 352.482 2.847 20 10 FFCDRO C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000829003326 1032940441 /nfs/dbraw/zinc/94/04/41/1032940441.db2.gz MVLWDHHHIKYDBB-APWZRJJASA-N 1 0 360.498 2.926 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)cc1 ZINC001098480722 1020949722 /nfs/dbraw/zinc/94/97/22/1020949722.db2.gz WHQJMDSJOKIMLE-ZACQAIPSSA-N 1 0 355.442 2.984 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CC[NH2+]CC[C@@H]3F)ccc(O)c21 ZINC001218017835 1032956930 /nfs/dbraw/zinc/95/69/30/1032956930.db2.gz WLCSEEVHUGJHPN-DZGCQCFKSA-N 1 0 355.365 2.637 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[NH2+][C@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218062766 1032974790 /nfs/dbraw/zinc/97/47/90/1032974790.db2.gz WHCHAWQVJOJUHC-DGCLKSJQSA-N 1 0 351.402 2.995 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934836939 1021422075 /nfs/dbraw/zinc/42/20/75/1021422075.db2.gz GCYCGGHSYIIEGW-RBUKOAKNSA-N 1 0 359.514 2.507 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[C@H]3[NH2+]CC[C@H]3C1)C(=O)c1ccccc1C2=O ZINC001218252672 1033068184 /nfs/dbraw/zinc/06/81/84/1033068184.db2.gz UOCIBCHKCPWRPJ-OGHNNQOOSA-N 1 0 363.413 2.995 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(OC)c1 ZINC000159477630 1022694336 /nfs/dbraw/zinc/69/43/36/1022694336.db2.gz OLKYNHHXIGRVDC-LJQANCHMSA-N 1 0 371.481 2.559 20 10 FFCDRO Oc1cccc(Br)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001119516572 1022829793 /nfs/dbraw/zinc/82/97/93/1022829793.db2.gz BWPMJJOZFDXGQY-LBPRGKRZSA-N 1 0 356.260 2.518 20 10 FFCDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159955581 1022853892 /nfs/dbraw/zinc/85/38/92/1022853892.db2.gz MWZCLYJVXNVVQD-LSDHHAIUSA-N 1 0 364.486 2.926 20 10 FFCDRO Oc1c(C[N@@H+]2CCNC[C@@]3(CCCCN3)C2)cccc1-c1ccccc1 ZINC001222684443 1033114366 /nfs/dbraw/zinc/11/43/66/1033114366.db2.gz GWSPRAFOGNMQIG-QFIPXVFZSA-N 1 0 351.494 2.977 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(OCc2ccccc2)cc1O)NCc1ccco1 ZINC000753546899 1023350954 /nfs/dbraw/zinc/35/09/54/1023350954.db2.gz QTKFTNKVRSICTL-UHFFFAOYSA-N 1 0 366.417 2.970 20 10 FFCDRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC001120584184 1023370705 /nfs/dbraw/zinc/37/07/05/1023370705.db2.gz ZCTNCEAHRZXJBU-DYESRHJHSA-N 1 0 372.513 2.512 20 10 FFCDRO NC(=O)c1coc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)c1 ZINC000190010066 1023385405 /nfs/dbraw/zinc/38/54/05/1023385405.db2.gz XOVIBYQEQPYKAU-UHFFFAOYSA-N 1 0 352.390 2.953 20 10 FFCDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000754123184 1023428578 /nfs/dbraw/zinc/42/85/78/1023428578.db2.gz QNBTUNGMVGAXNE-RDJZCZTQSA-N 1 0 355.461 2.688 20 10 FFCDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)C2 ZINC000077412519 1023603896 /nfs/dbraw/zinc/60/38/96/1023603896.db2.gz KFUCIZQVZASFFD-GOSISDBHSA-N 1 0 354.450 2.625 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756434702 1023710455 /nfs/dbraw/zinc/71/04/55/1023710455.db2.gz OWLKIRUONPDLNR-BLLLJJGKSA-N 1 0 358.413 2.994 20 10 FFCDRO CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)O1 ZINC000756931541 1023770922 /nfs/dbraw/zinc/77/09/22/1023770922.db2.gz JOKOLKMIBKGGOW-APWZRJJASA-N 1 0 363.477 2.541 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCC[NH2+]C2 ZINC001121991187 1024243655 /nfs/dbraw/zinc/24/36/55/1024243655.db2.gz MZFLTIROTSHXKA-UHFFFAOYSA-N 1 0 351.450 2.699 20 10 FFCDRO CN1CCCc2cc(CNC(=O)[C@H]([NH3+])Cc3ccc4cc[nH]c4c3)ccc21 ZINC001121996783 1024247809 /nfs/dbraw/zinc/24/78/09/1024247809.db2.gz NOILIKCQHCRIBR-LJQANCHMSA-N 1 0 362.477 2.737 20 10 FFCDRO COC(=O)c1ccc(C2C[NH+](Cc3ccc4c(c3)OCCN4C)C2)cc1 ZINC001141146492 1025524644 /nfs/dbraw/zinc/52/46/44/1025524644.db2.gz XJXSXCVIVSDNGV-UHFFFAOYSA-N 1 0 352.434 2.901 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC001141158057 1025538543 /nfs/dbraw/zinc/53/85/43/1025538543.db2.gz RTLHBDVIIXSAGB-SFHVURJKSA-N 1 0 356.422 2.695 20 10 FFCDRO O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141163168 1025545771 /nfs/dbraw/zinc/54/57/71/1025545771.db2.gz SLPNOERZVZUFAE-CQSZACIVSA-N 1 0 356.397 2.857 20 10 FFCDRO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000837881154 1026082001 /nfs/dbraw/zinc/08/20/01/1026082001.db2.gz AIEFPZYYIYXGBN-KRWDZBQOSA-N 1 0 374.529 2.758 20 10 FFCDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000837882956 1026085138 /nfs/dbraw/zinc/08/51/38/1026085138.db2.gz UHYFAAMWPKMFRD-PXNSSMCTSA-N 1 0 374.529 2.708 20 10 FFCDRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000838529524 1026400986 /nfs/dbraw/zinc/40/09/86/1026400986.db2.gz OWYPSUJMHBSYNA-KRWDZBQOSA-N 1 0 374.529 2.979 20 10 FFCDRO COc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000038635202 1026714914 /nfs/dbraw/zinc/71/49/14/1026714914.db2.gz PGAWYMNPOYZBPM-HXUWFJFHSA-N 1 0 355.482 2.723 20 10 FFCDRO C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000840176843 1026997133 /nfs/dbraw/zinc/99/71/33/1026997133.db2.gz FTOMFHPDUVJQDK-MGPUTAFESA-N 1 0 354.450 2.524 20 10 FFCDRO COc1ccccc1C[N@H+](CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000091790444 1027055989 /nfs/dbraw/zinc/05/59/89/1027055989.db2.gz ZIIXTKKLDMDNIQ-UHFFFAOYSA-N 1 0 374.456 2.665 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000840481777 1027088933 /nfs/dbraw/zinc/08/89/33/1027088933.db2.gz NKJQQAIHAYGBHR-ABSDTBQOSA-N 1 0 360.546 2.974 20 10 FFCDRO Cc1[nH]ccc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126336 1027227906 /nfs/dbraw/zinc/22/79/06/1027227906.db2.gz IOGOTSSLTLAJBP-UHFFFAOYSA-N 1 0 352.482 2.785 20 10 FFCDRO Nc1ccc(Cc2ccc(Nc3cnc(N4CC[NH2+]CC4)nc3)cc2)cc1 ZINC001159703741 1027470647 /nfs/dbraw/zinc/47/06/47/1027470647.db2.gz NURRBBUEJKLTJM-UHFFFAOYSA-N 1 0 360.465 2.803 20 10 FFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093360185 1027700137 /nfs/dbraw/zinc/70/01/37/1027700137.db2.gz FUZOFNHFFMAVLC-INIZCTEOSA-N 1 0 363.502 2.868 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534740 1027754476 /nfs/dbraw/zinc/75/44/76/1027754476.db2.gz BKQGSQPEWVDYNK-CQSZACIVSA-N 1 0 358.398 2.781 20 10 FFCDRO CN(C)c1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)ncn1 ZINC001160616136 1027777105 /nfs/dbraw/zinc/77/71/05/1027777105.db2.gz DJLPICHMCDSQOO-WOJBJXKFSA-N 1 0 365.437 2.807 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@H](N4CCOCC4)C[C@H]3C)c2c1 ZINC000795698825 1027880738 /nfs/dbraw/zinc/88/07/38/1027880738.db2.gz PROIRLIUPYVJKA-NVXWUHKLSA-N 1 0 356.466 2.849 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C[C@@H](O)C[NH3+] ZINC001160931173 1027929018 /nfs/dbraw/zinc/92/90/18/1027929018.db2.gz YAIWPOCDYIQYPD-LJQANCHMSA-N 1 0 364.489 2.775 20 10 FFCDRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)CC1 ZINC000780857887 1028834353 /nfs/dbraw/zinc/83/43/53/1028834353.db2.gz YRPNWANKXYGVRK-UHFFFAOYSA-N 1 0 355.438 2.800 20 10 FFCDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000781372539 1029176143 /nfs/dbraw/zinc/17/61/43/1029176143.db2.gz OCOFUYYBHMLLPZ-DLBZAZTESA-N 1 0 372.513 2.534 20 10 FFCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1NC(C)C ZINC001156651865 1029288786 /nfs/dbraw/zinc/28/87/86/1029288786.db2.gz RPLCQPGFZPOIKG-UHFFFAOYSA-N 1 0 354.502 2.969 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3c(F)nc(F)nc3Cl)cc2)CC1 ZINC001156658204 1029293880 /nfs/dbraw/zinc/29/38/80/1029293880.db2.gz VBPZXBGDKJQTIB-UHFFFAOYSA-N 1 0 353.804 2.772 20 10 FFCDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1OC ZINC000841045743 1029999174 /nfs/dbraw/zinc/99/91/74/1029999174.db2.gz PERPRCRHGIWCQA-HNAYVOBHSA-N 1 0 357.498 2.990 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841097760 1030034053 /nfs/dbraw/zinc/03/40/53/1030034053.db2.gz MDXUDXMSSBILEA-UHFFFAOYSA-N 1 0 370.453 2.567 20 10 FFCDRO Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000841103693 1030039017 /nfs/dbraw/zinc/03/90/17/1030039017.db2.gz IJAOIKMMNVHEIU-UHFFFAOYSA-N 1 0 366.465 2.889 20 10 FFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841231955 1030122171 /nfs/dbraw/zinc/12/21/71/1030122171.db2.gz VEXPZHDBVIRHTC-GASCZTMLSA-N 1 0 363.421 2.718 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)Nc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000841326458 1030200440 /nfs/dbraw/zinc/20/04/40/1030200440.db2.gz XTSNWCGAWYBOAL-UHFFFAOYSA-N 1 0 354.454 2.944 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000841333058 1030205976 /nfs/dbraw/zinc/20/59/76/1030205976.db2.gz UVAIIAOVMTVYFB-UHFFFAOYSA-N 1 0 352.438 2.653 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000841419696 1030277099 /nfs/dbraw/zinc/27/70/99/1030277099.db2.gz ZGWLIRCRJLIZKD-OAHLLOKOSA-N 1 0 354.450 2.593 20 10 FFCDRO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc(N2CCCC2)cc1 ZINC000841710158 1030421753 /nfs/dbraw/zinc/42/17/53/1030421753.db2.gz UABWULXORXBCPQ-UHFFFAOYSA-N 1 0 367.497 2.661 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000841778978 1030460996 /nfs/dbraw/zinc/46/09/96/1030460996.db2.gz JOECNQGDEJMUDP-JJTKIYQPSA-N 1 0 372.513 2.588 20 10 FFCDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000841832351 1030493036 /nfs/dbraw/zinc/49/30/36/1030493036.db2.gz MGHRQFQAGYDRCK-HXUWFJFHSA-N 1 0 368.525 2.982 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000841832749 1030493196 /nfs/dbraw/zinc/49/31/96/1030493196.db2.gz RQMHDQJXFYFRID-MOPGFXCFSA-N 1 0 354.498 2.594 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001142513162 1030562473 /nfs/dbraw/zinc/56/24/73/1030562473.db2.gz ZRTMKNADYWHMRF-LJQANCHMSA-N 1 0 360.408 2.953 20 10 FFCDRO CN(C)C(=O)N1CCCC12CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517573 1030566092 /nfs/dbraw/zinc/56/60/92/1030566092.db2.gz SBEGNOUXTDVPMZ-UHFFFAOYSA-N 1 0 353.413 2.782 20 10 FFCDRO COc1nsc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC001203490719 1030727158 /nfs/dbraw/zinc/72/71/58/1030727158.db2.gz BPOQCNGRTOGTLO-UHFFFAOYSA-N 1 0 366.918 2.847 20 10 FFCDRO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2O1)NCc1cccs1 ZINC001203552163 1030761126 /nfs/dbraw/zinc/76/11/26/1030761126.db2.gz CNEQBPULQMYPFI-FRQCXROJSA-N 1 0 372.490 2.750 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c1O ZINC001203589469 1030772272 /nfs/dbraw/zinc/77/22/72/1030772272.db2.gz IUCUKWLOTNEPQU-UHFFFAOYSA-N 1 0 354.454 2.826 20 10 FFCDRO CCOc1cccc(C[N@H+]2CC[C@H](OCC)[C@@H]2Cc2cnn(C)c2)c1O ZINC001203608557 1030784082 /nfs/dbraw/zinc/78/40/82/1030784082.db2.gz UDLPPWNNUGSGLJ-ROUUACIJSA-N 1 0 359.470 2.747 20 10 FFCDRO CCOc1cccc(C[NH+]2CC3(C2)CCN(Cc2cccnc2)C3)c1O ZINC001203608467 1030784317 /nfs/dbraw/zinc/78/43/17/1030784317.db2.gz QMLDJSAUJGGDIS-UHFFFAOYSA-N 1 0 353.466 2.894 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)c1O ZINC001203613650 1030787421 /nfs/dbraw/zinc/78/74/21/1030787421.db2.gz CQLKKYVGAYLNTA-INIZCTEOSA-N 1 0 364.486 2.687 20 10 FFCDRO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(OC)cc1O)CC2 ZINC001203622884 1030792269 /nfs/dbraw/zinc/79/22/69/1030792269.db2.gz DMECNUMXIOIRID-UHFFFAOYSA-N 1 0 370.497 2.733 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c(O)c1 ZINC001203623085 1030793625 /nfs/dbraw/zinc/79/36/25/1030793625.db2.gz HRGMLTFFBKDTSI-HXUWFJFHSA-N 1 0 354.454 2.683 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001203648176 1030806307 /nfs/dbraw/zinc/80/63/07/1030806307.db2.gz FMXMRDIINUFTAZ-ZDUSSCGKSA-N 1 0 350.216 2.598 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2)N1CCOCC1 ZINC001203657314 1030807766 /nfs/dbraw/zinc/80/77/66/1030807766.db2.gz CMVFUCPHOHNDMN-INIZCTEOSA-N 1 0 364.873 2.507 20 10 FFCDRO CNC(=O)[C@H](C[NH2+]Cc1c(O)cccc1OC)Cc1ccc(F)cc1C ZINC000842721384 1030923612 /nfs/dbraw/zinc/92/36/12/1030923612.db2.gz GMBBPLUPOAZKNO-HNNXBMFYSA-N 1 0 360.429 2.543 20 10 FFCDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203876814 1030949753 /nfs/dbraw/zinc/94/97/53/1030949753.db2.gz JSIRLMSWEQGNBE-QGZVFWFLSA-N 1 0 352.434 2.736 20 10 FFCDRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1=O ZINC001203877908 1030953857 /nfs/dbraw/zinc/95/38/57/1030953857.db2.gz ZIGKZFFEQUHLED-GOSISDBHSA-N 1 0 366.461 2.936 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC001203931879 1030990961 /nfs/dbraw/zinc/99/09/61/1030990961.db2.gz LPYQKRACDOXDDH-SFTDATJTSA-N 1 0 353.466 2.960 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cc1 ZINC001203932955 1030992447 /nfs/dbraw/zinc/99/24/47/1030992447.db2.gz FBTVMDUXASHSIY-LJQANCHMSA-N 1 0 365.543 2.533 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)cc1 ZINC001203932936 1030992705 /nfs/dbraw/zinc/99/27/05/1030992705.db2.gz DSOHNWVPOCWBRA-NRFANRHFSA-N 1 0 350.466 2.777 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CCNC2=S)cc1 ZINC001204127558 1031117996 /nfs/dbraw/zinc/11/79/96/1031117996.db2.gz GNALRHMKZXKKGA-UHFFFAOYSA-N 1 0 368.550 2.993 20 10 FFCDRO Fc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000843116761 1031189997 /nfs/dbraw/zinc/18/99/97/1031189997.db2.gz HZVJLJOXCYEIBG-OAQYLSRUSA-N 1 0 373.447 2.948 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)c(O)c1 ZINC001204273700 1031198780 /nfs/dbraw/zinc/19/87/80/1031198780.db2.gz FVXNUHPPSRNCRW-SLYNCCJLSA-N 1 0 370.449 2.689 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(O)c1 ZINC001204273789 1031202075 /nfs/dbraw/zinc/20/20/75/1031202075.db2.gz VEBQETHIHISFRR-LAUBAEHRSA-N 1 0 370.449 2.943 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)cc(O)c1O ZINC001204343500 1031241273 /nfs/dbraw/zinc/24/12/73/1031241273.db2.gz SFINIYBQAYFLHB-UHFFFAOYSA-N 1 0 368.433 2.982 20 10 FFCDRO COc1cc(C[N@H+](C)CCCCNC(=O)OC(C)(C)C)cc(O)c1O ZINC001204349697 1031244671 /nfs/dbraw/zinc/24/46/71/1031244671.db2.gz VOXFARNZNWXPER-UHFFFAOYSA-N 1 0 354.447 2.843 20 10 FFCDRO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350211 1031341018 /nfs/dbraw/zinc/34/10/18/1031341018.db2.gz PKWLHNCCSLXRPQ-KXBFYZLASA-N 1 0 365.477 2.926 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCCOc1cccc(Cl)c1 ZINC000843350773 1031342129 /nfs/dbraw/zinc/34/21/29/1031342129.db2.gz UWWABDLKFMAJLT-UHFFFAOYSA-N 1 0 373.884 2.747 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cc3ccccn3n2)[NH+](C)C)cc1 ZINC001205049905 1031496156 /nfs/dbraw/zinc/49/61/56/1031496156.db2.gz FJUHKYWTKVKHOG-SFHVURJKSA-N 1 0 366.469 2.825 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC001205708738 1031946702 /nfs/dbraw/zinc/94/67/02/1031946702.db2.gz IAYTXIALRWARJT-NRFANRHFSA-N 1 0 367.493 2.860 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccc(Cl)cn1 ZINC000829999320 1033424279 /nfs/dbraw/zinc/42/42/79/1033424279.db2.gz ZBVSGHAJCNONDA-MAUKXSAKSA-N 1 0 372.900 2.961 20 10 FFCDRO [NH3+][C@H](CC(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1)c1ccccc1O ZINC001219303436 1033590918 /nfs/dbraw/zinc/59/09/18/1033590918.db2.gz WVNXBUOQQBWFBM-MRXNPFEDSA-N 1 0 373.428 2.691 20 10 FFCDRO CN(CCN(C)c1ccc(NC(=O)[C@H]2CC[C@@H]2[NH3+])cc1)c1ccc(N)cc1 ZINC001219427399 1033643325 /nfs/dbraw/zinc/64/33/25/1033643325.db2.gz GAOMBSWQLMMQKN-PMACEKPBSA-N 1 0 367.497 2.517 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000830532078 1033658646 /nfs/dbraw/zinc/65/86/46/1033658646.db2.gz SEJOLYHDWVZKHB-IBGZPJMESA-N 1 0 368.477 2.711 20 10 FFCDRO C[NH2+][C@H](C(=O)N(c1ccc(N)cc1)c1ccc2ccccc2c1N)[C@@H](C)O ZINC001219474238 1033660082 /nfs/dbraw/zinc/66/00/82/1033660082.db2.gz RDBAPAGBBPKNEO-XCLFUZPHSA-N 1 0 364.449 2.638 20 10 FFCDRO C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1)CCOCC2 ZINC000830622667 1033714978 /nfs/dbraw/zinc/71/49/78/1033714978.db2.gz OOTIWGYTDDLKQN-QGZVFWFLSA-N 1 0 359.514 2.602 20 10 FFCDRO Cc1c(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c2ccccc2n1C ZINC001138257903 1034028701 /nfs/dbraw/zinc/02/87/01/1034028701.db2.gz CKEYFPQNJKOOQH-UHFFFAOYSA-N 1 0 355.482 2.746 20 10 FFCDRO Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c2ccccc2n1C ZINC001138259646 1034029838 /nfs/dbraw/zinc/02/98/38/1034029838.db2.gz LPYNBHRQFSSAJF-GOSISDBHSA-N 1 0 369.509 2.994 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001277025134 1034167487 /nfs/dbraw/zinc/16/74/87/1034167487.db2.gz BOKYJJRDEAMKJQ-QRWLVFNGSA-N 1 0 364.461 2.689 20 10 FFCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)n1 ZINC001138339559 1034170901 /nfs/dbraw/zinc/17/09/01/1034170901.db2.gz HIDUFRXDFXHDRC-OAHLLOKOSA-N 1 0 354.454 2.772 20 10 FFCDRO CC(=O)N1CC[C@H]([N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C(C)C)C1 ZINC001138341775 1034172850 /nfs/dbraw/zinc/17/28/50/1034172850.db2.gz KCBDHZPPNVSXRV-IBGZPJMESA-N 1 0 371.525 2.922 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc2c3c1CCCN3CCC2 ZINC001138341657 1034172880 /nfs/dbraw/zinc/17/28/80/1034172880.db2.gz SKXOLTYSFFLPOK-KRWDZBQOSA-N 1 0 366.465 2.534 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026414 1034173475 /nfs/dbraw/zinc/17/34/75/1034173475.db2.gz QTLKQJGRBWVPQD-CXAGYDPISA-N 1 0 362.445 2.536 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)ccn1 ZINC001138359623 1034197841 /nfs/dbraw/zinc/19/78/41/1034197841.db2.gz WUZXEEYDPSNARA-UHFFFAOYSA-N 1 0 352.482 2.795 20 10 FFCDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c(OC)c1 ZINC001138392064 1034228422 /nfs/dbraw/zinc/22/84/22/1034228422.db2.gz OLTWMWZYVAEAGI-FQEVSTJZSA-N 1 0 361.530 2.838 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)CC3(C[NH3+])CCCCC3)C2)cc1 ZINC000831748968 1034255995 /nfs/dbraw/zinc/25/59/95/1034255995.db2.gz UBTRUKRBYFQYGC-KRWDZBQOSA-N 1 0 359.514 2.937 20 10 FFCDRO Cc1cccnc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138495184 1034333150 /nfs/dbraw/zinc/33/31/50/1034333150.db2.gz VFTCXRYADPVSJE-UHFFFAOYSA-N 1 0 352.482 2.549 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001138496477 1034334900 /nfs/dbraw/zinc/33/49/00/1034334900.db2.gz QWFOMGKXXZBTSP-YOEHRIQHSA-N 1 0 358.404 2.658 20 10 FFCDRO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138500310 1034342113 /nfs/dbraw/zinc/34/21/13/1034342113.db2.gz WYTPWILNJAXOEP-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499891 1034342687 /nfs/dbraw/zinc/34/26/87/1034342687.db2.gz NUSHKVICNYRTCA-LJQANCHMSA-N 1 0 369.465 2.580 20 10 FFCDRO Nc1ccc(CC(=O)NCC2(Cc3ccc(F)cc3)CC[NH2+]CC2)cc1 ZINC001220978669 1034486209 /nfs/dbraw/zinc/48/62/09/1034486209.db2.gz OKHRKZXEBIFRLU-UHFFFAOYSA-N 1 0 355.457 2.679 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(OCCO)cc3)CC2)c(C)c1 ZINC001138803290 1034683765 /nfs/dbraw/zinc/68/37/65/1034683765.db2.gz QMYUWGAZHVYRTL-UHFFFAOYSA-N 1 0 356.466 2.697 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000832273391 1034696211 /nfs/dbraw/zinc/69/62/11/1034696211.db2.gz NRTIVLYLHPSEJW-RVKKMQEKSA-N 1 0 359.420 2.951 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCn2cnc3ccccc32)cc1 ZINC000832273319 1034696380 /nfs/dbraw/zinc/69/63/80/1034696380.db2.gz NICOUBTWMFUAEK-GOSISDBHSA-N 1 0 365.481 2.699 20 10 FFCDRO Oc1c(O)c(O)c(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(O)c1O ZINC001226467676 1034697263 /nfs/dbraw/zinc/69/72/63/1034697263.db2.gz IRLSEGVRWUDNNF-MGPQQGTHSA-N 1 0 373.405 2.504 20 10 FFCDRO Oc1c(O)c(O)c(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(O)c1O ZINC001226467669 1034697321 /nfs/dbraw/zinc/69/73/21/1034697321.db2.gz IRLSEGVRWUDNNF-BFHYXJOUSA-N 1 0 373.405 2.504 20 10 FFCDRO Cc1ccc(C(=O)CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832286281 1034701706 /nfs/dbraw/zinc/70/17/06/1034701706.db2.gz XUAKIKZMWGYSRU-IBGZPJMESA-N 1 0 353.466 2.840 20 10 FFCDRO COc1cccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1F ZINC000832285526 1034702999 /nfs/dbraw/zinc/70/29/99/1034702999.db2.gz RMCOKIWIVPMYRY-QGZVFWFLSA-N 1 0 359.445 2.649 20 10 FFCDRO CN(C)c1ccc(CCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832292951 1034705100 /nfs/dbraw/zinc/70/51/00/1034705100.db2.gz NXCNKVHLCSCYKG-FQEVSTJZSA-N 1 0 354.498 2.567 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc(N(C)C)cc1 ZINC001226646844 1034769507 /nfs/dbraw/zinc/76/95/07/1034769507.db2.gz IYCQSFCJHAYQGH-BMGDILEWSA-N 1 0 362.543 2.693 20 10 FFCDRO CCOC(=O)C1(C)CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139258551 1035031713 /nfs/dbraw/zinc/03/17/13/1035031713.db2.gz RLSMTLADMZRBRU-UHFFFAOYSA-N 1 0 364.486 2.628 20 10 FFCDRO Cc1cc(C[NH+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)ccc1N(C)C ZINC001139672444 1035194426 /nfs/dbraw/zinc/19/44/26/1035194426.db2.gz XJIKRDRRIISHPV-PMACEKPBSA-N 1 0 364.493 2.660 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001140055551 1035325232 /nfs/dbraw/zinc/32/52/32/1035325232.db2.gz KPBSINLONQEETJ-KXBFYZLASA-N 1 0 362.376 2.878 20 10 FFCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001140062881 1035328148 /nfs/dbraw/zinc/32/81/48/1035328148.db2.gz HIJXTOGVBMYMOA-UHFFFAOYSA-N 1 0 360.429 2.991 20 10 FFCDRO COC[C@@H]1CN(Cc2c(O)cccc2Br)Cc2cn(C)nc21 ZINC001140100504 1035341443 /nfs/dbraw/zinc/34/14/43/1035341443.db2.gz RSWFHPWSHZYOMB-LBPRGKRZSA-N 1 0 366.259 2.634 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1O ZINC001140180178 1035369877 /nfs/dbraw/zinc/36/98/77/1035369877.db2.gz CVGQTBUOSPFTCX-UXHICEINSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)c1O ZINC001140181862 1035371043 /nfs/dbraw/zinc/37/10/43/1035371043.db2.gz XGCKWXFOKKNGTH-UHFFFAOYSA-N 1 0 373.541 2.774 20 10 FFCDRO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834598158 1035412652 /nfs/dbraw/zinc/41/26/52/1035412652.db2.gz NSORHQAXTCGNNX-SLFFLAALSA-N 1 0 352.478 2.852 20 10 FFCDRO CCOCC[NH+](CCOCC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140286201 1035419624 /nfs/dbraw/zinc/41/96/24/1035419624.db2.gz ZRBNPXLEXBNSIC-UHFFFAOYSA-N 1 0 350.503 2.523 20 10 FFCDRO CCOC(=O)[C@H]1CCCCN1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304700 1035426098 /nfs/dbraw/zinc/42/60/98/1035426098.db2.gz YRTYEKIYEYYJMR-HXUWFJFHSA-N 1 0 359.514 2.746 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCC[C@H]3c3nc(C)no3)cc2)CC1 ZINC001140306738 1035428185 /nfs/dbraw/zinc/42/81/85/1035428185.db2.gz VZOFFZYMCGOZAD-IBGZPJMESA-N 1 0 355.486 2.857 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001140309497 1035429757 /nfs/dbraw/zinc/42/97/57/1035429757.db2.gz ITEMIPTZCJVBLD-UHFFFAOYSA-N 1 0 374.529 2.839 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCC[C@H]3c3ncccn3)cc2)CC1 ZINC001140309780 1035429835 /nfs/dbraw/zinc/42/98/35/1035429835.db2.gz UKRCKNAYXLPUBE-FQEVSTJZSA-N 1 0 351.498 2.956 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465600 1035485278 /nfs/dbraw/zinc/48/52/78/1035485278.db2.gz QUAFWMRINSTONL-YLJYHZDGSA-N 1 0 371.868 2.969 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000835034812 1035491019 /nfs/dbraw/zinc/49/10/19/1035491019.db2.gz YOVCYSBMMMPCMF-FNORWQNLSA-N 1 0 370.497 2.610 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000835038929 1035491694 /nfs/dbraw/zinc/49/16/94/1035491694.db2.gz DJVYGBVNBAFQGB-OOFWQKGWSA-N 1 0 364.493 2.733 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)cc1 ZINC000835048318 1035492612 /nfs/dbraw/zinc/49/26/12/1035492612.db2.gz QAYZZZZGFBQYKT-UIHYQQDZSA-N 1 0 350.466 2.946 20 10 FFCDRO Clc1cc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)ccc1N1CCOCC1 ZINC001232199508 1035496147 /nfs/dbraw/zinc/49/61/47/1035496147.db2.gz AVHLJQWXQHONRZ-INIZCTEOSA-N 1 0 374.872 2.620 20 10 FFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232203061 1035499210 /nfs/dbraw/zinc/49/92/10/1035499210.db2.gz NEVGPYTUIDJAQQ-OAHLLOKOSA-N 1 0 352.862 2.562 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001277204089 1035523111 /nfs/dbraw/zinc/52/31/11/1035523111.db2.gz CLLKIOPVYYQUKS-NRFANRHFSA-N 1 0 360.498 2.860 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c(O)c1 ZINC001277204651 1035527714 /nfs/dbraw/zinc/52/77/14/1035527714.db2.gz SESQSGKNUAJATK-NRFANRHFSA-N 1 0 360.498 2.716 20 10 FFCDRO O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232257249 1035529044 /nfs/dbraw/zinc/52/90/44/1035529044.db2.gz ARLPEHNAAIPGCI-IYBDPMFKSA-N 1 0 372.852 2.955 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232259873 1035530721 /nfs/dbraw/zinc/53/07/21/1035530721.db2.gz LWTUPZWHCOTZMZ-QRWLVFNGSA-N 1 0 372.852 2.857 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC001232264194 1035535463 /nfs/dbraw/zinc/53/54/63/1035535463.db2.gz GAZNZEKQVGVWDV-CYBMUJFWSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1Cl ZINC001232265218 1035535967 /nfs/dbraw/zinc/53/59/67/1035535967.db2.gz RHHKFDXJRIFKMC-JCKWVBRZSA-N 1 0 353.846 2.680 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2C[C@@H](C(=O)OC)CC[C@H]2C)c2ccccc2n1C ZINC001232408148 1035655676 /nfs/dbraw/zinc/65/56/76/1035655676.db2.gz WZZMSCZOSXJOLN-KGLIPLIRSA-N 1 0 358.438 2.738 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3O)C2)C1=O ZINC001277661087 1035664871 /nfs/dbraw/zinc/66/48/71/1035664871.db2.gz FDBRUIMXMTUULZ-XIKOKIGWSA-N 1 0 352.862 2.974 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)cc1Cl ZINC001277665693 1035691287 /nfs/dbraw/zinc/69/12/87/1035691287.db2.gz KHYMGVLQGYQDJY-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)c1 ZINC001140619409 1035740294 /nfs/dbraw/zinc/74/02/94/1035740294.db2.gz CJRAXDOIUFCGMD-QFIPXVFZSA-N 1 0 365.477 2.624 20 10 FFCDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140664817 1035821156 /nfs/dbraw/zinc/82/11/56/1035821156.db2.gz SXNWWVJIYVDXGZ-HXUWFJFHSA-N 1 0 364.461 2.828 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c(O)c1 ZINC001232839743 1036094452 /nfs/dbraw/zinc/09/44/52/1036094452.db2.gz VVQYRLXHRLLSKP-NRFANRHFSA-N 1 0 367.497 2.741 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)cc1 ZINC001232840014 1036094494 /nfs/dbraw/zinc/09/44/94/1036094494.db2.gz JVQFDNOCONMQEQ-UHFFFAOYSA-N 1 0 369.465 2.567 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)c(O)c1 ZINC001232842000 1036097356 /nfs/dbraw/zinc/09/73/56/1036097356.db2.gz WMVXCXZWPOPGRV-OAHLLOKOSA-N 1 0 365.275 2.864 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H]2C(=O)NCC(F)(F)F)CC1 ZINC001277318183 1036225192 /nfs/dbraw/zinc/22/51/92/1036225192.db2.gz MOJBVKCKDPXXAJ-AWEZNQCLSA-N 1 0 356.388 2.981 20 10 FFCDRO CN1C(=O)CC2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)c2ccccc21 ZINC001233012647 1036247317 /nfs/dbraw/zinc/24/73/17/1036247317.db2.gz LWLVIDJZIQVZOX-UHFFFAOYSA-N 1 0 368.433 2.704 20 10 FFCDRO COC(=O)c1cccc(C2CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)c1 ZINC001233014814 1036248876 /nfs/dbraw/zinc/24/88/76/1036248876.db2.gz CNLYWIDIGSZRSU-UHFFFAOYSA-N 1 0 357.406 2.970 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001233110390 1036355047 /nfs/dbraw/zinc/35/50/47/1036355047.db2.gz CUEYTCUPBPCAEQ-WFASDCNBSA-N 1 0 367.287 2.906 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233139426 1036387708 /nfs/dbraw/zinc/38/77/08/1036387708.db2.gz LUGDDVCGOXCBOE-UHFFFAOYSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)cc1Br ZINC001233140616 1036388320 /nfs/dbraw/zinc/38/83/20/1036388320.db2.gz OLHQDEDJCSFDEH-UHFFFAOYSA-N 1 0 370.243 2.835 20 10 FFCDRO COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC001233138871 1036389905 /nfs/dbraw/zinc/38/99/05/1036389905.db2.gz DHQAJNZEFFHDEQ-ZDUSSCGKSA-N 1 0 355.276 2.833 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)CC[C@@H]21 ZINC001233284748 1036492239 /nfs/dbraw/zinc/49/22/39/1036492239.db2.gz GOHYSGILNPOKLN-AZUAARDMSA-N 1 0 360.498 2.901 20 10 FFCDRO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc(C(C)(C)C)ccc1O)CCO2 ZINC001233285369 1036493007 /nfs/dbraw/zinc/49/30/07/1036493007.db2.gz CXALLASMUMTZDK-OAQYLSRUSA-N 1 0 360.498 2.903 20 10 FFCDRO CN1CCN(C(=O)C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)CC1 ZINC001233286368 1036493268 /nfs/dbraw/zinc/49/32/68/1036493268.db2.gz QODFGFANTNYYDC-UHFFFAOYSA-N 1 0 373.541 2.676 20 10 FFCDRO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c(O)c1 ZINC001140950291 1036547053 /nfs/dbraw/zinc/54/70/53/1036547053.db2.gz PTVWIRROLIEPBO-NQIIRXRSSA-N 1 0 368.481 2.751 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c(O)c1 ZINC001140952402 1036556809 /nfs/dbraw/zinc/55/68/09/1036556809.db2.gz QNRACJWYNWPFIH-NRFANRHFSA-N 1 0 353.466 2.967 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCn3nnc(COc4cccnc4)c3C2)c(O)c1 ZINC001140952040 1036557233 /nfs/dbraw/zinc/55/72/33/1036557233.db2.gz CFYOGYJRTPBOAC-UHFFFAOYSA-N 1 0 365.437 2.672 20 10 FFCDRO COc1ncnc2c1CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)CC2 ZINC001233453679 1036634524 /nfs/dbraw/zinc/63/45/24/1036634524.db2.gz PQDSMYLLCFMNQL-UHFFFAOYSA-N 1 0 353.344 2.810 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482532 1036648810 /nfs/dbraw/zinc/64/88/10/1036648810.db2.gz REKUDYUACQNUFW-ZDUSSCGKSA-N 1 0 352.431 2.683 20 10 FFCDRO CN(C[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001233482227 1036648864 /nfs/dbraw/zinc/64/88/64/1036648864.db2.gz FWEFQJBEWXMYHJ-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483309 1036651178 /nfs/dbraw/zinc/65/11/78/1036651178.db2.gz VEVHIDDYSNCNGX-GFCCVEGCSA-N 1 0 352.431 2.635 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cc(O)c(O)cc2O)C1 ZINC001233483325 1036651207 /nfs/dbraw/zinc/65/12/07/1036651207.db2.gz VQTBKQIOTNXTEO-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485133 1036653478 /nfs/dbraw/zinc/65/34/78/1036653478.db2.gz KEMFHKUBXUFBEA-LBPRGKRZSA-N 1 0 352.431 2.540 20 10 FFCDRO COC[C@@H]1COCCC12CC[NH+](Cc1c(O)cc(OC)cc1OC)CC2 ZINC001141027268 1036761183 /nfs/dbraw/zinc/76/11/83/1036761183.db2.gz SIADUSBTCGLBHF-OAHLLOKOSA-N 1 0 365.470 2.675 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1C(F)(F)F ZINC001141074253 1036923740 /nfs/dbraw/zinc/92/37/40/1036923740.db2.gz DEIJKINOVHUUTO-SJORKVTESA-N 1 0 354.416 2.988 20 10 FFCDRO c1c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)cc2c3c1CCCN3CCC2 ZINC001141078962 1036931482 /nfs/dbraw/zinc/93/14/82/1036931482.db2.gz OWKBNHFLJAZHRD-NRFANRHFSA-N 1 0 355.526 2.682 20 10 FFCDRO O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1cc2ccccc2cc1O ZINC001277849243 1036999556 /nfs/dbraw/zinc/99/95/56/1036999556.db2.gz SOWDOAGRXVQOLK-NRFANRHFSA-N 1 0 352.434 2.511 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CCN(c4cc[nH+]cc4)C3)C2=O)cc1 ZINC001277878173 1037144920 /nfs/dbraw/zinc/14/49/20/1037144920.db2.gz BHAXKZGVJROZHX-NRFANRHFSA-N 1 0 350.466 2.777 20 10 FFCDRO Oc1cnc(N2CC[NH+](Cc3cccc(-c4ccccc4)c3O)CC2)nc1 ZINC001234999370 1037288485 /nfs/dbraw/zinc/28/84/85/1037288485.db2.gz UOXBPEBSXFHOJF-UHFFFAOYSA-N 1 0 362.433 2.877 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001235057743 1037329728 /nfs/dbraw/zinc/32/97/28/1037329728.db2.gz RUQPULJYQDBYTR-CQSZACIVSA-N 1 0 350.203 2.980 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c2ccccc2n1C ZINC001235403343 1037529751 /nfs/dbraw/zinc/52/97/51/1037529751.db2.gz LCUSWPPTSOOPBS-NQIIRXRSSA-N 1 0 373.472 2.879 20 10 FFCDRO C[N@@H+]1CCC[C@H](Oc2cc(O)ccc2C(=O)c2ccc(O)c(O)c2)CC1 ZINC001231340108 1037538910 /nfs/dbraw/zinc/53/89/10/1037538910.db2.gz IBSVDOGOFGMWAZ-HNNXBMFYSA-N 1 0 357.406 2.898 20 10 FFCDRO CC(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001277943974 1037539835 /nfs/dbraw/zinc/53/98/35/1037539835.db2.gz FNOFORVGGUHPTB-SFHVURJKSA-N 1 0 359.514 2.833 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](CC3CCSCC3)CC2)cc1 ZINC001207755476 1037697104 /nfs/dbraw/zinc/69/71/04/1037697104.db2.gz QOKRWXTYZUQLHX-UHFFFAOYSA-N 1 0 350.528 2.977 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(c3nccc(C(F)(F)F)n3)CC2)c1O ZINC001231591934 1037710249 /nfs/dbraw/zinc/71/02/49/1037710249.db2.gz CTIXCLVGMMGMPF-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001235781106 1037742265 /nfs/dbraw/zinc/74/22/65/1037742265.db2.gz VKDVBAIBYIGVKR-AEFFLSMTSA-N 1 0 358.413 2.521 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001231843928 1037940047 /nfs/dbraw/zinc/94/00/47/1037940047.db2.gz BYBZAHNOJCHZBO-UXHICEINSA-N 1 0 367.493 2.879 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)c(O)c1 ZINC001231845275 1037944170 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ZINC001236788414 1038267817 /nfs/dbraw/zinc/26/78/17/1038267817.db2.gz TZAFWPKCWFXLGI-SFHVURJKSA-N 1 0 360.498 2.662 20 10 FFCDRO C[N@H+](CCN1CCOCC1)Cc1cc(OCc2ccccc2)ccc1O ZINC001236790869 1038270504 /nfs/dbraw/zinc/27/05/04/1038270504.db2.gz CHBLQUXKHFNOTP-UHFFFAOYSA-N 1 0 356.466 2.735 20 10 FFCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c(O)c1 ZINC001236810781 1038286824 /nfs/dbraw/zinc/28/68/24/1038286824.db2.gz JXWKUEGBJWRGQG-GASCZTMLSA-N 1 0 356.422 2.506 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CN(Cc1c(C)cc(OC)cc1O)CC2 ZINC001236819867 1038290238 /nfs/dbraw/zinc/29/02/38/1038290238.db2.gz HJEFGOKWXWJBED-UHFFFAOYSA-N 1 0 362.451 2.901 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3[O-])C2)n1 ZINC001236818472 1038290610 /nfs/dbraw/zinc/29/06/10/1038290610.db2.gz NBRHYMMFEZOGKF-GFCCVEGCSA-N 1 0 365.817 2.506 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3cc4ccccc4cc3O)C2)n1 ZINC001236836175 1038296783 /nfs/dbraw/zinc/29/67/83/1038296783.db2.gz ZBDGLALTOHOSEP-QGZVFWFLSA-N 1 0 351.406 2.997 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3cccc(-n4cncn4)c3)CC2)cc1 ZINC001236886473 1038327390 /nfs/dbraw/zinc/32/73/90/1038327390.db2.gz BLYJTSDSMRVBOX-UHFFFAOYSA-N 1 0 363.465 2.988 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921298 1038356094 /nfs/dbraw/zinc/35/60/94/1038356094.db2.gz CNYHMZOUVDUQOM-GOEBONIOSA-N 1 0 366.889 2.808 20 10 FFCDRO COCCCN(Cc1cc(Br)c(C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236945697 1038372358 /nfs/dbraw/zinc/37/23/58/1038372358.db2.gz JFDWRNCZMPQKOS-CQSZACIVSA-N 1 0 357.292 2.664 20 10 FFCDRO COCCCN(Cc1cc(Br)cc(C)c1O)[C@@H]1CC[NH2+]C1 ZINC001236945257 1038373087 /nfs/dbraw/zinc/37/30/87/1038373087.db2.gz GNHDDSSSCYCRIL-OAHLLOKOSA-N 1 0 357.292 2.664 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC[C@@H]3c3ncccn3)c(F)c2)CC1 ZINC001236948920 1038375015 /nfs/dbraw/zinc/37/50/15/1038375015.db2.gz YEBYJDYAZKYVML-LJQANCHMSA-N 1 0 355.461 2.705 20 10 FFCDRO O=C1C[C@]2(CN1C1CCCC1)CCCC[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001278044366 1038416966 /nfs/dbraw/zinc/41/69/66/1038416966.db2.gz XRPSVGIQEXIIGU-FQEVSTJZSA-N 1 0 360.454 2.703 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)c(O)c1 ZINC001237040369 1038418020 /nfs/dbraw/zinc/41/80/20/1038418020.db2.gz HMIOJQFPBLXPOZ-NRFANRHFSA-N 1 0 367.449 2.815 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c(O)c1 ZINC001237048816 1038423322 /nfs/dbraw/zinc/42/33/22/1038423322.db2.gz WSEPTGBDYHPWTP-UHFFFAOYSA-N 1 0 355.438 2.580 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CCc3onc(CN4CCOCC4)c3C2)c(O)c1 ZINC001237052679 1038424901 /nfs/dbraw/zinc/42/49/01/1038424901.db2.gz YEVVWUZGALYTAT-UHFFFAOYSA-N 1 0 371.481 2.894 20 10 FFCDRO COC(=O)C1(C)CC[NH+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237072471 1038434980 /nfs/dbraw/zinc/43/49/80/1038434980.db2.gz HKOJSEDDRDLDDS-UHFFFAOYSA-N 1 0 372.259 2.938 20 10 FFCDRO O=C1NCCC2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)O1 ZINC001237114362 1038446984 /nfs/dbraw/zinc/44/69/84/1038446984.db2.gz KIERHXKROLXNJJ-UHFFFAOYSA-N 1 0 360.332 2.755 20 10 FFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237125426 1038451061 /nfs/dbraw/zinc/45/10/61/1038451061.db2.gz ZITTWHIXHIDMQL-RHSMWYFYSA-N 1 0 357.809 2.729 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2C[C@H]([NH3+])C3(COC3)C2)c(O)c1 ZINC001237181518 1038468025 /nfs/dbraw/zinc/46/80/25/1038468025.db2.gz SALHUTBYPOQSLA-FQEVSTJZSA-N 1 0 361.530 2.958 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001256524596 1038544737 /nfs/dbraw/zinc/54/47/37/1038544737.db2.gz XNNOWYHZQMBZDO-XERREHJYSA-N 1 0 356.466 2.774 20 10 FFCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COCC(F)(F)C(F)F ZINC001251589367 1039193865 /nfs/dbraw/zinc/19/38/65/1039193865.db2.gz SSCMNWHMPQUBSM-HNNXBMFYSA-N 1 0 366.399 2.852 20 10 FFCDRO CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246530275 1039385842 /nfs/dbraw/zinc/38/58/42/1039385842.db2.gz LAZLWDZKCZRDPZ-DHUIEDIVSA-N 1 0 360.498 2.906 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210354193 1039497167 /nfs/dbraw/zinc/49/71/67/1039497167.db2.gz AFEGKPLRMSBUTQ-FQEVSTJZSA-N 1 0 369.484 2.679 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)c1O ZINC001276683644 1039529982 /nfs/dbraw/zinc/52/99/82/1039529982.db2.gz OKCMOVHCEUDYJU-CQSZACIVSA-N 1 0 356.388 2.981 20 10 FFCDRO C[C@H]1CC[C@@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C[NH2+]1 ZINC001246999866 1039570968 /nfs/dbraw/zinc/57/09/68/1039570968.db2.gz KIGSINFOTDYNRI-GHTZIAJQSA-N 1 0 366.509 2.923 20 10 FFCDRO CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001252781967 1039701576 /nfs/dbraw/zinc/70/15/76/1039701576.db2.gz YTHPYVMDUGRXMO-CTNGQTDRSA-N 1 0 362.514 2.775 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)/C=C/c3ccccc3)cc2)CC1 ZINC001253059961 1039955614 /nfs/dbraw/zinc/95/56/14/1039955614.db2.gz POQJIAZVVRUUDS-LFIBNONCSA-N 1 0 371.506 2.529 20 10 FFCDRO CC(C)(C)[NH2+]C[C@@H](O)CNc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001253384412 1040146178 /nfs/dbraw/zinc/14/61/78/1040146178.db2.gz SARVWONNFKTMNR-AWEZNQCLSA-N 1 0 352.434 2.623 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c(O)c1 ZINC001249173961 1040615715 /nfs/dbraw/zinc/61/57/15/1040615715.db2.gz XKLOEHPFTCJURW-UHFFFAOYSA-N 1 0 372.440 2.565 20 10 FFCDRO Oc1cc(O)c(CC[NH2+][C@@H]2Cc3ccc(Br)cc3C2)cc1O ZINC001254268133 1040650258 /nfs/dbraw/zinc/65/02/58/1040650258.db2.gz YTAMOKXRESXBIW-CQSZACIVSA-N 1 0 364.239 2.865 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC001254380122 1040690394 /nfs/dbraw/zinc/69/03/94/1040690394.db2.gz JWJDEHHANIUZMN-FPOVZHCZSA-N 1 0 360.498 2.793 20 10 FFCDRO c1cncc(COc2ccc(N3CC[NH+]([C@@H]4CCCOC4)CC3)cc2)c1 ZINC001254388136 1040695003 /nfs/dbraw/zinc/69/50/03/1040695003.db2.gz PTQLYMDQKLQVFK-HXUWFJFHSA-N 1 0 353.466 2.962 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001254736579 1040921323 /nfs/dbraw/zinc/92/13/23/1040921323.db2.gz GWUWLIBFBZVVEU-GDBMZVCRSA-N 1 0 366.527 2.900 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1 ZINC001249735794 1040970779 /nfs/dbraw/zinc/97/07/79/1040970779.db2.gz WCSFTLUOEYQNGU-UHFFFAOYSA-N 1 0 364.486 2.642 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c(O)c1 ZINC001249743681 1040972841 /nfs/dbraw/zinc/97/28/41/1040972841.db2.gz NDSIKMKHKHUICD-CQSZACIVSA-N 1 0 351.443 2.581 20 10 FFCDRO CC[C@@H](C)N1CCC2(CC[NH+](Cc3cc(OC)c(O)cc3O)CC2)C1=O ZINC001276705943 1041003025 /nfs/dbraw/zinc/00/30/25/1041003025.db2.gz VWOICWOHKUWPEU-CQSZACIVSA-N 1 0 362.470 2.719 20 10 FFCDRO Oc1ccc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)cc1O ZINC001254995179 1041089266 /nfs/dbraw/zinc/08/92/66/1041089266.db2.gz LYLLXJVSDVSORA-YQQQUEKLSA-N 1 0 354.450 2.619 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)cc1Br ZINC001250128559 1041124434 /nfs/dbraw/zinc/12/44/34/1041124434.db2.gz FEYYACQLMGYAKY-CYBMUJFWSA-N 1 0 351.248 2.892 20 10 FFCDRO COc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)NC(C)C)CC[C@@H]3C2)c1O ZINC001278562412 1041179283 /nfs/dbraw/zinc/17/92/83/1041179283.db2.gz DJXGQXWEZRPCDI-IYBDPMFKSA-N 1 0 361.486 2.663 20 10 FFCDRO O=c1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cc(Cl)ccc2O)[nH]1 ZINC001278569420 1041212143 /nfs/dbraw/zinc/21/21/43/1041212143.db2.gz XQKHJVPSTQSGJB-IRXDYDNUSA-N 1 0 359.857 2.995 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCCC(F)(F)F)c(O)c1 ZINC001278575967 1041235096 /nfs/dbraw/zinc/23/50/96/1041235096.db2.gz AQSXWGWMEOBFGV-GASCZTMLSA-N 1 0 374.403 2.628 20 10 FFCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccc3cc[nH]c3c2)cc1F ZINC001263098164 1042102121 /nfs/dbraw/zinc/10/21/21/1042102121.db2.gz UUHINVKQNUHUAR-KRWDZBQOSA-N 1 0 354.429 2.559 20 10 FFCDRO C[NH2+]C1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC001263101726 1042104708 /nfs/dbraw/zinc/10/47/08/1042104708.db2.gz AIMFFHFMZLXHOA-CYBMUJFWSA-N 1 0 353.413 2.515 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCc3cn[nH]c3)C2)cc1C ZINC001263922459 1042534281 /nfs/dbraw/zinc/53/42/81/1042534281.db2.gz IENBLVUGURILJY-PKOBYXMFSA-N 1 0 370.497 2.734 20 10 FFCDRO Cc1cc(CN2CCC3(C[NH+](Cc4ccc(N(C)C)cc4)C3)C2)n(C)n1 ZINC001279149920 1042920681 /nfs/dbraw/zinc/92/06/81/1042920681.db2.gz ODHFHOZBJSUNCV-UHFFFAOYSA-N 1 0 353.514 2.502 20 10 FFCDRO O=C(Nc1cccnc1)N1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC001279197317 1042942019 /nfs/dbraw/zinc/94/20/19/1042942019.db2.gz QNFQNBKCDVOCPR-UHFFFAOYSA-N 1 0 356.401 2.666 20 10 FFCDRO Oc1ccc(F)cc1C[NH+]1CC2(CN(Cc3nc4ccccc4[nH]3)C2)C1 ZINC001279197400 1042942131 /nfs/dbraw/zinc/94/21/31/1042942131.db2.gz USWXDMRVFPSFSO-UHFFFAOYSA-N 1 0 352.413 2.725 20 10 FFCDRO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001279225761 1042952958 /nfs/dbraw/zinc/95/29/58/1042952958.db2.gz RPZXXNJPOPTBHG-ALOPSCKCSA-N 1 0 356.470 2.599 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CN(Cc4ccc[nH]4)CCO3)C2)c1O ZINC001279290485 1042986026 /nfs/dbraw/zinc/98/60/26/1042986026.db2.gz PPHHDZBPOMOQTM-NRFANRHFSA-N 1 0 355.482 2.896 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)c(O)c1 ZINC001237228285 1043065078 /nfs/dbraw/zinc/06/50/78/1043065078.db2.gz IVFRXJHAAUKAGQ-LJQANCHMSA-N 1 0 374.481 2.956 20 10 FFCDRO Oc1c(I)cccc1CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001237230427 1043066244 /nfs/dbraw/zinc/06/62/44/1043066244.db2.gz SLXVIILLJDJPBZ-AWEZNQCLSA-N 1 0 370.234 2.838 20 10 FFCDRO COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c([O-])cccc3F)(C1)CCC2 ZINC001279421173 1043093037 /nfs/dbraw/zinc/09/30/37/1043093037.db2.gz AZNBNJXHFMYNAM-MOPGFXCFSA-N 1 0 352.450 2.676 20 10 FFCDRO COc1cc(CN2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)cc1O ZINC001237289119 1043093690 /nfs/dbraw/zinc/09/36/90/1043093690.db2.gz MAUIEBLZSBRAFO-UHFFFAOYSA-N 1 0 354.450 2.743 20 10 FFCDRO O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])cccc1F)C2 ZINC001279422154 1043096499 /nfs/dbraw/zinc/09/64/99/1043096499.db2.gz ZBMRLCJOAONPOX-GJZGRUSLSA-N 1 0 360.454 2.868 20 10 FFCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCC12C[NH2+]C2 ZINC001237408965 1043146369 /nfs/dbraw/zinc/14/63/69/1043146369.db2.gz FRBJVDWGWQLZJS-CYBMUJFWSA-N 1 0 373.280 2.674 20 10 FFCDRO COc1cc(Cl)cc(CN2C[C@@H]3C[N@H+](C4CCCC4)C[C@H](C2)O3)c1O ZINC001279476387 1043159812 /nfs/dbraw/zinc/15/98/12/1043159812.db2.gz LDNICYDOMXZWCO-CALCHBBNSA-N 1 0 366.889 2.882 20 10 FFCDRO CO[C@@H]1CC[N@H+](Cc2c(C)cccc2O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001237484819 1043196684 /nfs/dbraw/zinc/19/66/84/1043196684.db2.gz AOQUYQVYGIVZDF-TUNNFDKTSA-N 1 0 367.493 2.817 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001237486351 1043198984 /nfs/dbraw/zinc/19/89/84/1043198984.db2.gz RAFMJPDSXOKGLP-APWZRJJASA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001237485325 1043199143 /nfs/dbraw/zinc/19/91/43/1043199143.db2.gz GSNMBGMEHNDGGP-CEWLAPEOSA-N 1 0 361.482 2.876 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 ZINC001237486811 1043201012 /nfs/dbraw/zinc/20/10/12/1043201012.db2.gz UOVGHUOTLFIKQM-XFQXTVEOSA-N 1 0 367.449 2.714 20 10 FFCDRO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)CCCN2C ZINC001279551178 1043245421 /nfs/dbraw/zinc/24/54/21/1043245421.db2.gz KQQXKNJOGOJRBP-PMACEKPBSA-N 1 0 356.514 2.836 20 10 FFCDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(OC)cc(OC)c1O ZINC001237677329 1043305223 /nfs/dbraw/zinc/30/52/23/1043305223.db2.gz AILWFGZMKWLPAG-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676938 1043305835 /nfs/dbraw/zinc/30/58/35/1043305835.db2.gz UJGACCKYBFARBM-AWEZNQCLSA-N 1 0 366.458 2.851 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)cc1Br ZINC001237682526 1043308750 /nfs/dbraw/zinc/30/87/50/1043308750.db2.gz YDZXYECMTDZAMM-INIZCTEOSA-N 1 0 353.260 2.565 20 10 FFCDRO C[N@@H+](Cc1cccc(I)c1[O-])CC1CC[NH+](C)CC1 ZINC001237780705 1043354019 /nfs/dbraw/zinc/35/40/19/1043354019.db2.gz VZCFGBGMDPMZKV-UHFFFAOYSA-N 1 0 374.266 2.770 20 10 FFCDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237938815 1043443301 /nfs/dbraw/zinc/44/33/01/1043443301.db2.gz POUCQEPUNVGGLE-LBPRGKRZSA-N 1 0 352.841 2.575 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000755921544 1043449963 /nfs/dbraw/zinc/44/99/63/1043449963.db2.gz RCQQMKHDNCCCJP-UKINESCASA-N 1 0 373.453 2.949 20 10 FFCDRO Cc1cc(F)cc(CN2CCN(c3nccc(C(F)(F)F)n3)CC2)c1O ZINC001238061890 1043508711 /nfs/dbraw/zinc/50/87/11/1043508711.db2.gz KYWHQAQWCVEJLO-UHFFFAOYSA-N 1 0 370.350 2.971 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c1O ZINC001238060866 1043508972 /nfs/dbraw/zinc/50/89/72/1043508972.db2.gz KRSZZKPAWIEYHC-SFHVURJKSA-N 1 0 369.440 2.873 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001238067312 1043513243 /nfs/dbraw/zinc/51/32/43/1043513243.db2.gz RTEBTLDKAFOLCK-GOSISDBHSA-N 1 0 358.413 2.982 20 10 FFCDRO C[C@H]1CC[C@](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)(CC(=O)[O-])C1 ZINC000756314462 1043578344 /nfs/dbraw/zinc/57/83/44/1043578344.db2.gz ZVCVBLRCMYIQON-LAUBAEHRSA-N 1 0 359.514 2.809 20 10 FFCDRO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N(c1ccc3c(c1)OCCO3)C2 ZINC001279765001 1043608200 /nfs/dbraw/zinc/60/82/00/1043608200.db2.gz KXZIZBONQYMABU-ZBFHGGJFSA-N 1 0 357.479 2.933 20 10 FFCDRO CN(C)C(=O)[C@H]1CCSC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279860273 1043785864 /nfs/dbraw/zinc/78/58/64/1043785864.db2.gz QPSVJGLJNCLAMZ-GOSISDBHSA-N 1 0 359.539 2.683 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238918485 1043951399 /nfs/dbraw/zinc/95/13/99/1043951399.db2.gz DJENIVYJTKPDFU-GOSISDBHSA-N 1 0 366.527 2.551 20 10 FFCDRO O=C(NCc1c(F)cccc1F)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001279968160 1044000791 /nfs/dbraw/zinc/00/07/91/1044000791.db2.gz GPVYRAHJDNORJC-UHFFFAOYSA-N 1 0 358.388 2.999 20 10 FFCDRO CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2O)Cc2ccnn21)C(C)C ZINC001279970949 1044009187 /nfs/dbraw/zinc/00/91/87/1044009187.db2.gz JZZPOLIUQPWIAK-GOSISDBHSA-N 1 0 356.470 2.793 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)NCC(F)F)C2)c1O ZINC001279978211 1044023906 /nfs/dbraw/zinc/02/39/06/1044023906.db2.gz YVJKBYDNHVZEFT-AUUYWEPGSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C2CC(F)(F)C2)c(O)c1 ZINC001279980012 1044026532 /nfs/dbraw/zinc/02/65/32/1044026532.db2.gz JEKQDHDICCDKCB-YJYMSZOUSA-N 1 0 366.408 2.621 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCC[C@H]3C(=O)NCC(F)F)C2)c(O)c1 ZINC001279980392 1044027830 /nfs/dbraw/zinc/02/78/30/1044027830.db2.gz LOENVGRAFWNBBW-KXBFYZLASA-N 1 0 368.424 2.774 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)NCC(F)F)C2)c(O)c1 ZINC001279980390 1044028163 /nfs/dbraw/zinc/02/81/63/1044028163.db2.gz LOENVGRAFWNBBW-HNAYVOBHSA-N 1 0 368.424 2.774 20 10 FFCDRO O=C(Nc1nnco1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279982237 1044032575 /nfs/dbraw/zinc/03/25/75/1044032575.db2.gz OQOMHDBIYRTXMB-KTJYFRGRSA-N 1 0 362.817 2.572 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)c1 ZINC001279984893 1044037602 /nfs/dbraw/zinc/03/76/02/1044037602.db2.gz TVPGUTPKWATTHX-HNNXBMFYSA-N 1 0 364.511 2.623 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2CCC(F)CC2)c1 ZINC001279986936 1044041515 /nfs/dbraw/zinc/04/15/15/1044041515.db2.gz ZSACSJQOSCWQQT-ZYJFZYNKSA-N 1 0 362.445 2.762 20 10 FFCDRO O=C([C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2)N1CCCC12CC2 ZINC001280083444 1044184814 /nfs/dbraw/zinc/18/48/14/1044184814.db2.gz PCMFHWYSCQQXLW-CCWDJLKJSA-N 1 0 356.466 2.711 20 10 FFCDRO O=C([C@@H]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2)N1CC=CC1 ZINC001280100059 1044207398 /nfs/dbraw/zinc/20/73/98/1044207398.db2.gz VBQHZRYQNPUFHV-MRXNPFEDSA-N 1 0 356.466 2.879 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001280294628 1044564574 /nfs/dbraw/zinc/56/45/74/1044564574.db2.gz VNPUGUYREBZMDL-PXNSSMCTSA-N 1 0 364.461 2.628 20 10 FFCDRO NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC001280313096 1044589296 /nfs/dbraw/zinc/58/92/96/1044589296.db2.gz PUXYIZRHRKGWAP-MLGOLLRUSA-N 1 0 353.260 2.632 20 10 FFCDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)Nc2nnco2)c1O ZINC001280345993 1044635858 /nfs/dbraw/zinc/63/58/58/1044635858.db2.gz IKNNDXWHMPCTSL-BFJAYTPKSA-N 1 0 356.426 2.535 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc2F)CC1 ZINC001319714852 1045248942 /nfs/dbraw/zinc/24/89/42/1045248942.db2.gz FDHDFVFUUIXOON-UHFFFAOYSA-N 1 0 365.493 2.741 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)cn1 ZINC001323285967 1045532333 /nfs/dbraw/zinc/53/23/33/1045532333.db2.gz NXWGWDXZFVQPLK-UHFFFAOYSA-N 1 0 367.453 2.912 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331465879 1047953194 /nfs/dbraw/zinc/95/31/94/1047953194.db2.gz AIVDREBWNBZRDO-HNNXBMFYSA-N 1 0 354.445 2.529 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cncc4ccccc43)cc2)CC1 ZINC001331884759 1048154112 /nfs/dbraw/zinc/15/41/12/1048154112.db2.gz BSCFYESRNPLVAN-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001329139936 1048593542 /nfs/dbraw/zinc/59/35/42/1048593542.db2.gz HEPBDJYNHUKKOK-UHFFFAOYSA-N 1 0 354.454 2.559 20 10 FFCDRO COC(=O)[C@@](C)(NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001333368567 1048862557 /nfs/dbraw/zinc/86/25/57/1048862557.db2.gz HZPYZQGQXDUOCL-QFIPXVFZSA-N 1 0 367.493 2.616 20 10 FFCDRO O=C(COC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001294860213 1049821773 /nfs/dbraw/zinc/82/17/73/1049821773.db2.gz SFIJYPDJANXRCR-LBPRGKRZSA-N 1 0 366.767 2.663 20 10 FFCDRO C[NH+]1CCC(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC001340011055 1050423264 /nfs/dbraw/zinc/42/32/64/1050423264.db2.gz IDLNGYRFQCSKOC-UHFFFAOYSA-N 1 0 365.861 2.542 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001298373957 1050426435 /nfs/dbraw/zinc/42/64/35/1050426435.db2.gz VSYBHUBQZSCBBT-PIIMJCKOSA-N 1 0 363.421 2.709 20 10 FFCDRO C[C@H]1[NH2+]CCn2c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21 ZINC001340319002 1050717416 /nfs/dbraw/zinc/71/74/16/1050717416.db2.gz DQVRTTSYLLGISL-NVXWUHKLSA-N 1 0 369.465 2.679 20 10 FFCDRO Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc(N(C)C)cc1C ZINC001542226666 1071192824 /nfs/dbraw/zinc/19/28/24/1071192824.db2.gz FMJHMBBOANZXGW-FQEVSTJZSA-N 1 0 368.529 2.684 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C2CC3(C2)C[C@H]([NH3+])CCO3)cc1 ZINC001340788058 1051135373 /nfs/dbraw/zinc/13/53/73/1051135373.db2.gz CBMVHBJLIFWAQB-IDYZSHNDSA-N 1 0 359.514 2.778 20 10 FFCDRO CS[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC001341075323 1051419533 /nfs/dbraw/zinc/41/95/33/1051419533.db2.gz CYDLIHHJJVMOHB-PMACEKPBSA-N 1 0 361.555 2.535 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CN(C)c3ccccc3C)CC2)cc1 ZINC001307950544 1052370438 /nfs/dbraw/zinc/37/04/38/1052370438.db2.gz BGPYSNHBYKGXDC-HXUWFJFHSA-N 1 0 369.509 2.623 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2F)CC1 ZINC001308391169 1052453943 /nfs/dbraw/zinc/45/39/43/1052453943.db2.gz UOELUZNNYUZMKY-UHFFFAOYSA-N 1 0 372.444 2.818 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC001345780757 1052610712 /nfs/dbraw/zinc/61/07/12/1052610712.db2.gz HRRKSBAJFMMFDG-INIZCTEOSA-N 1 0 355.276 2.893 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001335380003 1053328650 /nfs/dbraw/zinc/32/86/50/1053328650.db2.gz GNJNHXGMVVNQRV-UWVAXJGDSA-N 1 0 374.529 2.743 20 10 FFCDRO Nc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001335426264 1053355491 /nfs/dbraw/zinc/35/54/91/1053355491.db2.gz OAVOQEXIHHNXFM-LJQANCHMSA-N 1 0 352.482 2.980 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@H]2[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC001347980718 1054523432 /nfs/dbraw/zinc/52/34/32/1054523432.db2.gz MGKADABPMIGITH-RLLQIKCJSA-N 1 0 374.529 2.566 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(O)c1C ZINC001337784315 1055016147 /nfs/dbraw/zinc/01/61/47/1055016147.db2.gz ARMYZRPOFXBGDD-SPLOXXLWSA-N 1 0 367.449 2.914 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000848879836 1055293786 /nfs/dbraw/zinc/29/37/86/1055293786.db2.gz DWKNAGLITZOUBA-MDZDMXLPSA-N 1 0 370.449 2.934 20 10 FFCDRO CCc1cccc(C[N@@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c1O ZINC000848889860 1055308755 /nfs/dbraw/zinc/30/87/55/1055308755.db2.gz MYVHERMUINMCEE-OAHLLOKOSA-N 1 0 374.485 2.753 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC000848892621 1055311406 /nfs/dbraw/zinc/31/14/06/1055311406.db2.gz CGXOGFQGYMBYDY-UHFFFAOYSA-N 1 0 354.450 2.717 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)cc1 ZINC001352409461 1055449001 /nfs/dbraw/zinc/44/90/01/1055449001.db2.gz LJKAHULINNTPMX-LLUDDFSJSA-N 1 0 371.525 2.616 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847323314 1055496965 /nfs/dbraw/zinc/49/69/65/1055496965.db2.gz DUTBNFREOUHGQS-WOJBJXKFSA-N 1 0 354.498 2.879 20 10 FFCDRO COc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC000849095516 1055637864 /nfs/dbraw/zinc/63/78/64/1055637864.db2.gz AYEPVFMECMDHTM-UHFFFAOYSA-N 1 0 374.872 2.901 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1OCC[NH2+]C2 ZINC001357485880 1055921248 /nfs/dbraw/zinc/92/12/48/1055921248.db2.gz JXVQWWLSIWYBAR-UHFFFAOYSA-N 1 0 353.466 2.897 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CC3(C(F)(F)F)CC3)cc2)CC1 ZINC001353011430 1056011179 /nfs/dbraw/zinc/01/11/79/1056011179.db2.gz SXERHFRNZLOBGM-UHFFFAOYSA-N 1 0 355.404 2.787 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2ncoc2C2CC[NH2+]CC2)cc1 ZINC001353495875 1056457547 /nfs/dbraw/zinc/45/75/47/1056457547.db2.gz PAIBCOLMDJCDRC-UHFFFAOYSA-N 1 0 356.470 2.918 20 10 FFCDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001353531627 1056503961 /nfs/dbraw/zinc/50/39/61/1056503961.db2.gz IZAQROCCFVDJGW-HXUWFJFHSA-N 1 0 352.482 2.727 20 10 FFCDRO COc1c(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000849349636 1056835720 /nfs/dbraw/zinc/83/57/20/1056835720.db2.gz DUCYTYLQNRZTKH-HZPDHXFCSA-N 1 0 357.410 2.544 20 10 FFCDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2ccc(N)cc2)CCOCC1 ZINC001354943391 1059679435 /nfs/dbraw/zinc/67/94/35/1059679435.db2.gz IRIRMTOPXQTANC-UHFFFAOYSA-N 1 0 367.493 2.609 20 10 FFCDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000848392897 1059925950 /nfs/dbraw/zinc/92/59/50/1059925950.db2.gz JPYTWIIBSSIAKG-OXQOHEQNSA-N 1 0 366.509 2.710 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848426896 1059988572 /nfs/dbraw/zinc/98/85/72/1059988572.db2.gz IIYRGMQHYCTOJD-ONTIZHBOSA-N 1 0 371.525 2.650 20 10 FFCDRO Cc1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c(C)n1-c1ccc(F)cc1 ZINC001456271303 1060074972 /nfs/dbraw/zinc/07/49/72/1060074972.db2.gz VALTXCVTFCZYMJ-UHFFFAOYSA-N 1 0 372.488 2.553 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H]3CCc4ccccc43)cc2)CC1 ZINC001355312220 1060105316 /nfs/dbraw/zinc/10/53/16/1060105316.db2.gz JPKYARQSQRVWIL-LJQANCHMSA-N 1 0 370.518 2.741 20 10 FFCDRO CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001517457461 1060510935 /nfs/dbraw/zinc/51/09/35/1060510935.db2.gz IPGPQOJLHTXLSZ-KGLIPLIRSA-N 1 0 361.515 2.899 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1 ZINC001459794818 1060820603 /nfs/dbraw/zinc/82/06/03/1060820603.db2.gz DFFZMQCPMJMDAS-RTWAWAEBSA-N 1 0 360.498 2.936 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1Cn1cccn1 ZINC001461020373 1061189113 /nfs/dbraw/zinc/18/91/13/1061189113.db2.gz ACDMCCAXPVKDIX-UHFFFAOYSA-N 1 0 374.448 2.811 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001461558742 1061350206 /nfs/dbraw/zinc/35/02/06/1061350206.db2.gz KEBQOQYPZWFQHN-KRWDZBQOSA-N 1 0 362.470 2.737 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001528038428 1061724485 /nfs/dbraw/zinc/72/44/85/1061724485.db2.gz YBAOIQIKMFZEGH-ROUUACIJSA-N 1 0 361.486 2.567 20 10 FFCDRO COCCN(CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001479532214 1062501171 /nfs/dbraw/zinc/50/11/71/1062501171.db2.gz BLTDTZGZBKRKMR-IBGZPJMESA-N 1 0 364.534 2.669 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4ccccc4C3)cc2)CC1 ZINC001438903687 1063067148 /nfs/dbraw/zinc/06/71/48/1063067148.db2.gz SXVISOMNURDNAG-NRFANRHFSA-N 1 0 363.505 2.860 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)ncn3C)[NH+](C)C)cc1 ZINC001439961843 1063241733 /nfs/dbraw/zinc/24/17/33/1063241733.db2.gz TVFZVCFFLROTCL-FQEVSTJZSA-N 1 0 365.481 2.672 20 10 FFCDRO CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001466678549 1063519873 /nfs/dbraw/zinc/51/98/73/1063519873.db2.gz HJMHIRIMGCPCQO-SFHVURJKSA-N 1 0 354.450 2.763 20 10 FFCDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)c([N+](=O)[O-])c1 ZINC001473724989 1065333854 /nfs/dbraw/zinc/33/38/54/1065333854.db2.gz XQCVHWWQQFQNEI-NWDGAFQWSA-N 1 0 359.382 2.987 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001474699011 1065584633 /nfs/dbraw/zinc/58/46/33/1065584633.db2.gz GUGSUTSJGMAEDC-SFHLNBCPSA-N 1 0 373.541 2.693 20 10 FFCDRO COC(=O)c1cccc2c1OCCN(Cc1cc(C)cc(OC)c1O)C2 ZINC001474732491 1065592503 /nfs/dbraw/zinc/59/25/03/1065592503.db2.gz VMELQKIAPNIMMM-UHFFFAOYSA-N 1 0 357.406 2.890 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(Cl)cncc2Cl)cc1 ZINC001578424535 1078472418 /nfs/dbraw/zinc/47/24/18/1078472418.db2.gz KPTNLIJOSWQLOW-CQSZACIVSA-N 1 0 353.253 2.884 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2[nH]nc3ccc(Cl)cc32)cc1 ZINC001578424516 1078472451 /nfs/dbraw/zinc/47/24/51/1078472451.db2.gz JVVBJLZVURJEID-OAHLLOKOSA-N 1 0 357.845 2.712 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(C2CC[NH2+]CC2)n1Cc1ccco1 ZINC001578496721 1078482952 /nfs/dbraw/zinc/48/29/52/1078482952.db2.gz QEZIOXCEZSNTHE-UHFFFAOYSA-N 1 0 367.453 2.728 20 10 FFCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001578657120 1078509119 /nfs/dbraw/zinc/50/91/19/1078509119.db2.gz RXOIXQSWIPRRFZ-KRWDZBQOSA-N 1 0 353.466 2.978 20 10 FFCDRO COC(=O)c1c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2cc(F)ccc2n1C ZINC001578850321 1078534062 /nfs/dbraw/zinc/53/40/62/1078534062.db2.gz DNYXCWDNNLPLLS-YLQAJVPDSA-N 1 0 359.445 2.663 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@]3(C)C2)ccc1C ZINC001579661066 1078658475 /nfs/dbraw/zinc/65/84/75/1078658475.db2.gz DBJBWVDARSZMAT-KNQAVFIVSA-N 1 0 365.477 2.897 20 10 FFCDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC001560283852 1076260070 /nfs/dbraw/zinc/26/00/70/1076260070.db2.gz OXXGIQIFPYAUER-OAHLLOKOSA-N 1 0 358.511 2.697 20 10 FFCDRO COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001560308072 1076262692 /nfs/dbraw/zinc/26/26/92/1076262692.db2.gz YQRVLJRJIVEHNV-IBGZPJMESA-N 1 0 367.493 2.900 20 10 FFCDRO NC(=O)[C@H](C[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC001560424438 1076272280 /nfs/dbraw/zinc/27/22/80/1076272280.db2.gz TZLMOHQVVPSILX-SFHVURJKSA-N 1 0 355.457 2.860 20 10 FFCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC001560930918 1076310898 /nfs/dbraw/zinc/31/08/98/1076310898.db2.gz SJDRGTANJNLFGI-AWEZNQCLSA-N 1 0 374.412 2.846 20 10 FFCDRO COc1cc(C)c(C[NH2+]CC(=O)Nc2cccc3cccnc32)c(O)c1 ZINC001560990209 1076316858 /nfs/dbraw/zinc/31/68/58/1076316858.db2.gz TXJMTMBPRXCRGL-UHFFFAOYSA-N 1 0 351.406 2.986 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(C)CCCS2)[NH+](C)C)cc1 ZINC001564338119 1076626201 /nfs/dbraw/zinc/62/62/01/1076626201.db2.gz QRXGNOLEKDGLOU-PKOBYXMFSA-N 1 0 364.559 2.940 20 10 FFCDRO O=C(NCc1ccccc1O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001566373965 1076953115 /nfs/dbraw/zinc/95/31/15/1076953115.db2.gz OCLWPAXKHZCNEM-DENIHFKCSA-N 1 0 366.461 2.547 20 10 FFCDRO C[NH+](C)CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC001570229124 1077192202 /nfs/dbraw/zinc/19/22/02/1077192202.db2.gz NBEWPRKRNXVYQK-XBXARRHUSA-N 1 0 360.385 2.829 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001589950980 1080896050 /nfs/dbraw/zinc/89/60/50/1080896050.db2.gz ZJHYNEIIISBOGA-QLFBSQMISA-N 1 0 370.501 2.876 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589950979 1080896357 /nfs/dbraw/zinc/89/63/57/1080896357.db2.gz ZJHYNEIIISBOGA-KKUMJFAQSA-N 1 0 370.501 2.876 20 10 FFCDRO C[C@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001589965504 1080907584 /nfs/dbraw/zinc/90/75/84/1080907584.db2.gz HRDDBDSBDWSCAE-LBPRGKRZSA-N 1 0 367.413 2.692 20 10 FFCDRO CC1(C)CC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC(C)(C)[NH2+]1 ZINC000054786798 506622029 /nfs/dbraw/zinc/62/20/29/506622029.db2.gz NRGZHBGPYPAEKV-UHFFFAOYSA-N 1 0 374.529 2.632 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000069784403 507559602 /nfs/dbraw/zinc/55/96/02/507559602.db2.gz JAVJNBNDNIFAKM-OAHLLOKOSA-N 1 0 361.511 2.854 20 10 FFCDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090185790 507914473 /nfs/dbraw/zinc/91/44/73/507914473.db2.gz ZIFVUIBJLLMBOT-OAHLLOKOSA-N 1 0 363.477 2.619 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000073915719 507966801 /nfs/dbraw/zinc/96/68/01/507966801.db2.gz NXCDZNRXUKJSOS-INIZCTEOSA-N 1 0 350.482 2.765 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000091963738 508028380 /nfs/dbraw/zinc/02/83/80/508028380.db2.gz FSHVAKRFCXBIDI-UHFFFAOYSA-N 1 0 365.543 2.533 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1O ZINC000092005213 508031971 /nfs/dbraw/zinc/03/19/71/508031971.db2.gz QTIHRQIJIPMUTH-INIZCTEOSA-N 1 0 355.438 2.955 20 10 FFCDRO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000111236052 508080963 /nfs/dbraw/zinc/08/09/63/508080963.db2.gz IDHDWZNFWROYCO-HNNXBMFYSA-N 1 0 372.465 2.888 20 10 FFCDRO O=C1[C@H]([N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCN1CC(F)(F)F ZINC000111233017 508081085 /nfs/dbraw/zinc/08/10/85/508081085.db2.gz RUNUBPYZAVVBQB-HUUCEWRRSA-N 1 0 372.387 2.536 20 10 FFCDRO COc1cccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1O ZINC000092645302 508089375 /nfs/dbraw/zinc/08/93/75/508089375.db2.gz YUAUPRZOFDCKCC-UHFFFAOYSA-N 1 0 355.482 2.935 20 10 FFCDRO COc1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000093335879 508139824 /nfs/dbraw/zinc/13/98/24/508139824.db2.gz GUHCVFZWHHCNFK-UHFFFAOYSA-N 1 0 356.451 2.728 20 10 FFCDRO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093362815 508142242 /nfs/dbraw/zinc/14/22/42/508142242.db2.gz SRDQMTYAPAJHJQ-FQEVSTJZSA-N 1 0 357.498 2.500 20 10 FFCDRO CC[N@H+](Cc1cc(=O)c(O)co1)Cc1cc(Br)ccc1O ZINC000076118528 508160848 /nfs/dbraw/zinc/16/08/48/508160848.db2.gz WRXJEXNHQJGSCX-UHFFFAOYSA-N 1 0 354.200 2.836 20 10 FFCDRO O=C(Cc1cccnc1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260727 508513874 /nfs/dbraw/zinc/51/38/74/508513874.db2.gz HMORGLQMLQONLQ-QGZVFWFLSA-N 1 0 359.857 2.764 20 10 FFCDRO Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000377691174 512400965 /nfs/dbraw/zinc/40/09/65/512400965.db2.gz HJTSXNKFCNMWJC-NSHDSACASA-N 1 0 363.259 2.737 20 10 FFCDRO NC(=O)c1cc(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)ccn1 ZINC000377703633 512409945 /nfs/dbraw/zinc/40/99/45/512409945.db2.gz VNESYFXWZMQAAP-UHFFFAOYSA-N 1 0 361.829 2.583 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(OC)c3O)CC2)c1C ZINC000377714360 512415031 /nfs/dbraw/zinc/41/50/31/512415031.db2.gz HCVBRCZFQVMCLZ-UHFFFAOYSA-N 1 0 373.453 2.920 20 10 FFCDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000371476549 512424321 /nfs/dbraw/zinc/42/43/21/512424321.db2.gz COMPWLAQKHRDRS-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000155652127 509046187 /nfs/dbraw/zinc/04/61/87/509046187.db2.gz DGKUYQDZNLVREK-WBMJQRKESA-N 1 0 373.419 2.532 20 10 FFCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1O ZINC000121376784 509170478 /nfs/dbraw/zinc/17/04/78/509170478.db2.gz SMQXDEDLSMMQMR-UHFFFAOYSA-N 1 0 356.422 2.957 20 10 FFCDRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCSC1 ZINC000267158838 509372452 /nfs/dbraw/zinc/37/24/52/509372452.db2.gz IZQLNADHFKSXKV-IBGZPJMESA-N 1 0 362.543 2.523 20 10 FFCDRO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000163480019 509380906 /nfs/dbraw/zinc/38/09/06/509380906.db2.gz WUFOHDDQRVBZIB-WMZOPIPTSA-N 1 0 366.477 2.899 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)CCCOC)cc2F)CC1 ZINC000182727828 509396288 /nfs/dbraw/zinc/39/62/88/509396288.db2.gz WDNWAADSJYSFJX-MRXNPFEDSA-N 1 0 365.493 2.647 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)C2=O)cc1 ZINC000186050066 509498901 /nfs/dbraw/zinc/49/89/01/509498901.db2.gz IUFFBJCENFDROQ-IFXJQAMLSA-N 1 0 370.449 2.861 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000237576490 509681642 /nfs/dbraw/zinc/68/16/42/509681642.db2.gz NNOZYMWAKMHMQE-AYHJJNSGSA-N 1 0 357.498 2.655 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000237901985 509767019 /nfs/dbraw/zinc/76/70/19/509767019.db2.gz WDYFZCPSIRAWCO-RRFJBIMHSA-N 1 0 367.440 2.891 20 10 FFCDRO O=C(c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1)N1CCOCC1 ZINC000264963849 509801113 /nfs/dbraw/zinc/80/11/13/509801113.db2.gz PBATZAOULOOOGT-UHFFFAOYSA-N 1 0 360.841 2.808 20 10 FFCDRO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1O ZINC000183509168 509833386 /nfs/dbraw/zinc/83/33/86/509833386.db2.gz ZGWPJMPFQFZNOO-NSHDSACASA-N 1 0 366.405 2.604 20 10 FFCDRO CCC[NH+]1CCC(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000177050489 509840889 /nfs/dbraw/zinc/84/08/89/509840889.db2.gz DQLZRTWMGGEYLZ-UHFFFAOYSA-N 1 0 360.546 2.517 20 10 FFCDRO C[NH+](C)C1CCN(c2ccc(NCc3cc4c(cc3O)OCO4)nc2)CC1 ZINC000269166723 510269086 /nfs/dbraw/zinc/26/90/86/510269086.db2.gz XDXWTQULTFKTAP-UHFFFAOYSA-N 1 0 370.453 2.658 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000269260731 510313002 /nfs/dbraw/zinc/31/30/02/510313002.db2.gz VTRVLKRLYCZKEL-YALNPMBYSA-N 1 0 363.477 2.573 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000187548922 510326608 /nfs/dbraw/zinc/32/66/08/510326608.db2.gz RXTYQXHFPQEYCU-OAQYLSRUSA-N 1 0 355.434 2.963 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3cnn(C(C)C)c3)CC2)cc1 ZINC000171839963 510401296 /nfs/dbraw/zinc/40/12/96/510401296.db2.gz DLXSRUIKABGCPP-UHFFFAOYSA-N 1 0 371.529 2.775 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC(C)(C)C ZINC000178097942 510431066 /nfs/dbraw/zinc/43/10/66/510431066.db2.gz MVILPXLQUYKYQO-ZIAGYGMSSA-N 1 0 351.466 2.616 20 10 FFCDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000184698025 510469270 /nfs/dbraw/zinc/46/92/70/510469270.db2.gz JOMDNXDBSDCQLN-CVEARBPZSA-N 1 0 355.862 2.806 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000175676746 510728616 /nfs/dbraw/zinc/72/86/16/510728616.db2.gz VLYSGVXVVDMYMC-ZDUSSCGKSA-N 1 0 358.417 2.651 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000185322894 510806517 /nfs/dbraw/zinc/80/65/17/510806517.db2.gz MCJFAHCQJZYVID-NEPJUHHUSA-N 1 0 352.431 2.851 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000191767687 510821053 /nfs/dbraw/zinc/82/10/53/510821053.db2.gz LYHPQASKOUXKAW-SFHVURJKSA-N 1 0 358.413 2.821 20 10 FFCDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1O ZINC000276551388 510943043 /nfs/dbraw/zinc/94/30/43/510943043.db2.gz HSSLGEAAFJTZMI-OAHLLOKOSA-N 1 0 358.413 2.831 20 10 FFCDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3O)C2)CC1 ZINC000276596733 510943101 /nfs/dbraw/zinc/94/31/01/510943101.db2.gz NTTYIYYNTRRNKZ-AWEZNQCLSA-N 1 0 350.434 2.821 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000282674907 511069958 /nfs/dbraw/zinc/06/99/58/511069958.db2.gz JILPUFJVJQHTLA-OAHLLOKOSA-N 1 0 363.479 2.709 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000271094205 511080567 /nfs/dbraw/zinc/08/05/67/511080567.db2.gz MCIDNQNACIHXGW-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000271101927 511082794 /nfs/dbraw/zinc/08/27/94/511082794.db2.gz PVSXMNXGIMQSOU-ZDUSSCGKSA-N 1 0 366.458 2.756 20 10 FFCDRO OCc1cn(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)nn1 ZINC000294532033 511095113 /nfs/dbraw/zinc/09/51/13/511095113.db2.gz ZXVHKNSEMTWAJH-FQEVSTJZSA-N 1 0 366.465 2.830 20 10 FFCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000290095517 511126569 /nfs/dbraw/zinc/12/65/69/511126569.db2.gz HHUKFXKWZUPIPG-UHFFFAOYSA-N 1 0 363.479 2.884 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(CCF)CC3)cc2F)CC1 ZINC000290330625 511133993 /nfs/dbraw/zinc/13/39/93/511133993.db2.gz WKYPUBHGDPQIMH-UHFFFAOYSA-N 1 0 351.441 2.724 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1O ZINC000294683389 511141496 /nfs/dbraw/zinc/14/14/96/511141496.db2.gz ACJULFWDJYPADL-QGZVFWFLSA-N 1 0 357.454 2.531 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000271817609 511335112 /nfs/dbraw/zinc/33/51/12/511335112.db2.gz MGNUDGKXGJFCIJ-OAHLLOKOSA-N 1 0 352.228 2.987 20 10 FFCDRO CC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(C)cc1O ZINC000280184488 511369039 /nfs/dbraw/zinc/36/90/39/511369039.db2.gz RWVIIDICNFZHFU-XJKSGUPXSA-N 1 0 357.376 2.925 20 10 FFCDRO CC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000272079303 511424651 /nfs/dbraw/zinc/42/46/51/511424651.db2.gz KOKMJCYMLPXBHO-DOTOQJQBSA-N 1 0 370.419 2.977 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446709 511525917 /nfs/dbraw/zinc/52/59/17/511525917.db2.gz NXIYVQLHPNALDG-RDTXWAMCSA-N 1 0 371.437 2.718 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273454169 511526131 /nfs/dbraw/zinc/52/61/31/511526131.db2.gz GTRQYOLDWDGMNW-CABZTGNLSA-N 1 0 361.320 2.504 20 10 FFCDRO CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c1O ZINC000280624647 511537656 /nfs/dbraw/zinc/53/76/56/511537656.db2.gz PSZOIMOEVMIEGA-UHFFFAOYSA-N 1 0 355.481 2.936 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000280809262 511610981 /nfs/dbraw/zinc/61/09/81/511610981.db2.gz JBJBAUCEAYOAEO-YNEHKIRRSA-N 1 0 358.276 2.759 20 10 FFCDRO Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n2ncnc2n1 ZINC000301172184 511689506 /nfs/dbraw/zinc/68/95/06/511689506.db2.gz GQVPYPTTWJMFMT-OAHLLOKOSA-N 1 0 372.860 2.868 20 10 FFCDRO COc1ccc(N2CCN(c3nc(C(C)C)nc(N(C)C)n3)CC2)cc1F ZINC000301973896 511704955 /nfs/dbraw/zinc/70/49/55/511704955.db2.gz VFNXSEVQLPOVPU-UHFFFAOYSA-N 1 0 374.464 2.535 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000292815997 511730414 /nfs/dbraw/zinc/73/04/14/511730414.db2.gz PIFLUEMMBZOWMQ-ZDUSSCGKSA-N 1 0 361.373 2.817 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc2c(cc1O)CCCC2 ZINC000363858876 511813056 /nfs/dbraw/zinc/81/30/56/511813056.db2.gz RQKWXMXITUIDOD-QSZISKGPSA-N 1 0 371.481 2.642 20 10 FFCDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000363908120 511843697 /nfs/dbraw/zinc/84/36/97/511843697.db2.gz NNQXDFMNAVAADR-GOSISDBHSA-N 1 0 369.469 2.502 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2=O)cc1 ZINC000297112387 512024604 /nfs/dbraw/zinc/02/46/04/512024604.db2.gz YCIJWTZBOLUWQA-ZWKOTPCHSA-N 1 0 352.434 2.779 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368212826 512848015 /nfs/dbraw/zinc/84/80/15/512848015.db2.gz QFCQDTAMRFHRII-LIRRHRJNSA-N 1 0 358.482 2.702 20 10 FFCDRO CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000372763051 513033156 /nfs/dbraw/zinc/03/31/56/513033156.db2.gz HBWQFSMCTDRXPC-IBGZPJMESA-N 1 0 354.498 2.948 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](CF)C2)C1 ZINC000412552102 513158137 /nfs/dbraw/zinc/15/81/37/513158137.db2.gz MKDDCMUDGXXTRV-MRXNPFEDSA-N 1 0 373.472 2.605 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ncon2)C1 ZINC000515762297 517467535 /nfs/dbraw/zinc/46/75/35/517467535.db2.gz BZHWRCFJAXFINA-CQSZACIVSA-N 1 0 367.453 2.668 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC[C@H]2O)C1 ZINC000515975442 517525563 /nfs/dbraw/zinc/52/55/63/517525563.db2.gz CRVZRYCMBOHUGS-WIYYLYMNSA-N 1 0 369.509 2.828 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000516085521 517561274 /nfs/dbraw/zinc/56/12/74/517561274.db2.gz KZJKQXBDNOKSLU-UHFFFAOYSA-N 1 0 353.466 2.896 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)ccc21 ZINC000578877904 518417117 /nfs/dbraw/zinc/41/71/17/518417117.db2.gz KZZFPNRIQVEBML-RDTXWAMCSA-N 1 0 357.498 2.961 20 10 FFCDRO CCCN1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccc(F)cc21 ZINC000592566792 520458302 /nfs/dbraw/zinc/45/83/02/520458302.db2.gz XZXKWFXULVXTPZ-CQSZACIVSA-N 1 0 371.460 2.735 20 10 FFCDRO COc1ccc(N(CC2CC2)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)cc1 ZINC000602590935 521427983 /nfs/dbraw/zinc/42/79/83/521427983.db2.gz DIMSFNRFPSWEFE-OAHLLOKOSA-N 1 0 354.454 2.785 20 10 FFCDRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCCSc1nccs1 ZINC000822741060 607482402 /nfs/dbraw/zinc/48/24/02/607482402.db2.gz QXCDAUZHHIPWOS-UHFFFAOYSA-N 1 0 350.448 2.734 20 10 FFCDRO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1O ZINC000826158732 608566994 /nfs/dbraw/zinc/56/69/94/608566994.db2.gz AJQICJGEEATVKL-UHFFFAOYSA-N 1 0 373.844 2.874 20 10 FFCDRO Cc1cccc(C[NH2+]CCSCc2ccccc2-c2nn[nH]n2)c1O ZINC000826298277 608592723 /nfs/dbraw/zinc/59/27/23/608592723.db2.gz LLQIMKHORXOTKW-UHFFFAOYSA-N 1 0 355.467 2.904 20 10 FFCDRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000153389834 728778875 /nfs/dbraw/zinc/77/88/75/728778875.db2.gz DKTUIWKATJXRAT-LJQANCHMSA-N 1 0 363.889 2.790 20 10 FFCDRO CC[N@H+](CCn1ccccc1=O)Cc1cc(Br)ccc1O ZINC000743871250 735323723 /nfs/dbraw/zinc/32/37/23/735323723.db2.gz YOPCOLMJLRAWFW-UHFFFAOYSA-N 1 0 351.244 2.839 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2cscn2)[NH+](C)C)cc1 ZINC000899102591 735447665 /nfs/dbraw/zinc/44/76/65/735447665.db2.gz QXFSJIAYSMVBKG-QGZVFWFLSA-N 1 0 361.515 2.653 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000070823969 728205930 /nfs/dbraw/zinc/20/59/30/728205930.db2.gz AGWVTMGMJCDFQB-UHFFFAOYSA-N 1 0 352.887 2.970 20 10 FFCDRO CC[NH+]1CCC(CCNC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000073915383 728228065 /nfs/dbraw/zinc/22/80/65/728228065.db2.gz ZZQAWSLZCYANHD-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)CN1CCOCC1 ZINC000091588028 728460256 /nfs/dbraw/zinc/46/02/56/728460256.db2.gz KFLFLDYEJGRIAO-ZDUSSCGKSA-N 1 0 357.292 2.697 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000092660030 728469803 /nfs/dbraw/zinc/46/98/03/728469803.db2.gz XNTVKYBBXWGMHJ-NSHDSACASA-N 1 0 371.275 2.641 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCO1 ZINC000093460517 728476320 /nfs/dbraw/zinc/47/63/20/728476320.db2.gz JBXUNAGWKQDPID-CQSZACIVSA-N 1 0 372.259 2.699 20 10 FFCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093754289 728477428 /nfs/dbraw/zinc/47/74/28/728477428.db2.gz ITEXPFIQQOCKFN-GFCCVEGCSA-N 1 0 374.275 2.648 20 10 FFCDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000119466252 728594801 /nfs/dbraw/zinc/59/48/01/728594801.db2.gz TZARLVDEGBKWIS-LLVKDONJSA-N 1 0 354.859 2.886 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000129887228 728713857 /nfs/dbraw/zinc/71/38/57/728713857.db2.gz FOZHEBNVOADKAT-OAHLLOKOSA-N 1 0 361.511 2.854 20 10 FFCDRO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000130084444 728715041 /nfs/dbraw/zinc/71/50/41/728715041.db2.gz LWUCYRPADIGYAK-KGLIPLIRSA-N 1 0 355.429 2.713 20 10 FFCDRO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cncnc1 ZINC000171129481 728998092 /nfs/dbraw/zinc/99/80/92/728998092.db2.gz GFHSIKQSSDCRRB-UHFFFAOYSA-N 1 0 352.360 2.622 20 10 FFCDRO CCC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179638661 729191248 /nfs/dbraw/zinc/19/12/48/729191248.db2.gz DRJLXQORVOQSQH-ZDUSSCGKSA-N 1 0 362.289 2.554 20 10 FFCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000180471238 729215158 /nfs/dbraw/zinc/21/51/58/729215158.db2.gz IFHWRVKSZVTCRD-OAHLLOKOSA-N 1 0 371.522 2.794 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OC ZINC000188807420 729391931 /nfs/dbraw/zinc/39/19/31/729391931.db2.gz MWFBDBWKVQIWCY-BLLLJJGKSA-N 1 0 363.376 2.983 20 10 FFCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779032765 738431045 /nfs/dbraw/zinc/43/10/45/738431045.db2.gz SSFDDNZQUKXUKB-NSHDSACASA-N 1 0 353.264 2.968 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000858164959 730418348 /nfs/dbraw/zinc/41/83/48/730418348.db2.gz JOHGYSUBRNEZOP-BBRMVZONSA-N 1 0 350.212 2.739 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000858498047 730427265 /nfs/dbraw/zinc/42/72/65/730427265.db2.gz KSJZCJTZVFNWBL-FSPWUOQZSA-N 1 0 366.527 2.782 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000860156294 730482368 /nfs/dbraw/zinc/48/23/68/730482368.db2.gz JSUOPLJGLLXNOL-HIFRSBDPSA-N 1 0 351.790 2.559 20 10 FFCDRO C[NH+](C)CCC[C@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000862418305 730699730 /nfs/dbraw/zinc/69/97/30/730699730.db2.gz MNXMCUQIJALTEP-ZDUSSCGKSA-N 1 0 357.292 2.697 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCOCCNC(=O)OC(C)(C)C)c1 ZINC000863314279 730767609 /nfs/dbraw/zinc/76/76/09/730767609.db2.gz ZWJCSUBRTVFXIG-UHFFFAOYSA-N 1 0 352.475 2.982 20 10 FFCDRO COCCc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000865418731 730952588 /nfs/dbraw/zinc/95/25/88/730952588.db2.gz OUXQRCWZJXHRKD-UHFFFAOYSA-N 1 0 365.474 2.598 20 10 FFCDRO C[NH+](C)CC[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1cccnc1 ZINC000925916487 738544242 /nfs/dbraw/zinc/54/42/42/738544242.db2.gz YDJKMNIOCQICPE-INIZCTEOSA-N 1 0 362.861 2.933 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)cc1Cn1cccn1 ZINC000873112420 731876049 /nfs/dbraw/zinc/87/60/49/731876049.db2.gz BRORWQWUXULGSO-INIZCTEOSA-N 1 0 357.376 2.997 20 10 FFCDRO CCn1ncnc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000877071144 732321377 /nfs/dbraw/zinc/32/13/77/732321377.db2.gz FNNGCRRMKXKUFT-CYBMUJFWSA-N 1 0 351.401 2.658 20 10 FFCDRO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350287 738620441 /nfs/dbraw/zinc/62/04/41/738620441.db2.gz ILOARSHMRIJTJC-VQIMIIECSA-N 1 0 366.889 2.943 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1O ZINC000926944077 738670806 /nfs/dbraw/zinc/67/08/06/738670806.db2.gz NIIJMAZWIQTBPL-FCIGDQIPSA-N 1 0 372.259 2.618 20 10 FFCDRO CCOCCOCC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000927084980 738689488 /nfs/dbraw/zinc/68/94/88/738689488.db2.gz FKFIELZLIKAFLF-LLVKDONJSA-N 1 0 362.264 2.867 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c1O ZINC000927147504 738696949 /nfs/dbraw/zinc/69/69/49/738696949.db2.gz SLKPCRIWQHBWIT-PWSUYJOCSA-N 1 0 365.275 2.800 20 10 FFCDRO COc1cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000883296446 733361496 /nfs/dbraw/zinc/36/14/96/733361496.db2.gz NKQNOPRDHSYOOK-HNNXBMFYSA-N 1 0 355.500 2.755 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2)C1 ZINC000885936003 733731249 /nfs/dbraw/zinc/73/12/49/733731249.db2.gz YSEZAMRTGYYCMI-OAHLLOKOSA-N 1 0 358.873 2.727 20 10 FFCDRO O=C(c1ccc(C[NH2+]Cc2cc(Cl)ccc2O)cc1)N1CCOCC1 ZINC000725848015 734395862 /nfs/dbraw/zinc/39/58/62/734395862.db2.gz MXLQMPXGMJPQPY-UHFFFAOYSA-N 1 0 360.841 2.808 20 10 FFCDRO Cc1noc(Cl)c1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253037 734405362 /nfs/dbraw/zinc/40/53/62/734405362.db2.gz PJYFQACGOBEDME-MRXNPFEDSA-N 1 0 364.877 2.664 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1F ZINC000891457041 734431380 /nfs/dbraw/zinc/43/13/80/734431380.db2.gz UXHHQIKIRLCMEG-LJQANCHMSA-N 1 0 350.482 2.798 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000892493532 734565396 /nfs/dbraw/zinc/56/53/96/734565396.db2.gz LTCZHKYZAQDXPK-GFCCVEGCSA-N 1 0 370.291 2.732 20 10 FFCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000892622422 734581514 /nfs/dbraw/zinc/58/15/14/734581514.db2.gz OYJIGFKMADXVJC-HRCADAONSA-N 1 0 354.466 2.580 20 10 FFCDRO O=C(C[NH2+]Cc1cc(Br)ccc1O)N1CCc2ccccc21 ZINC000729685071 734590273 /nfs/dbraw/zinc/59/02/73/734590273.db2.gz QZHOZSXRFJVZFQ-UHFFFAOYSA-N 1 0 361.239 2.834 20 10 FFCDRO COc1ccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c(O)c1OC ZINC000892928617 734624667 /nfs/dbraw/zinc/62/46/67/734624667.db2.gz DTQNTEQKQSLKHT-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000894206653 734818160 /nfs/dbraw/zinc/81/81/60/734818160.db2.gz INSYZBQKFARLCP-UHFFFAOYSA-N 1 0 369.870 2.926 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1O ZINC000894999853 734950139 /nfs/dbraw/zinc/95/01/39/734950139.db2.gz FGFSQDPFXGFTEZ-IBGZPJMESA-N 1 0 360.841 2.683 20 10 FFCDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)O1 ZINC000895568430 735024842 /nfs/dbraw/zinc/02/48/42/735024842.db2.gz UWOLDAXEXHEIST-TXEJJXNPSA-N 1 0 364.467 2.542 20 10 FFCDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740899519 735097454 /nfs/dbraw/zinc/09/74/54/735097454.db2.gz CMJFFWHTUZRSED-OAHLLOKOSA-N 1 0 353.488 2.789 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn(C)nn1 ZINC000902825394 735996414 /nfs/dbraw/zinc/99/64/14/735996414.db2.gz MQMDEJIGVQMAGC-QWHCGFSZSA-N 1 0 351.401 2.736 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)ccc1O ZINC000903434158 736094106 /nfs/dbraw/zinc/09/41/06/736094106.db2.gz JRMYSHXKXMVXRH-ONGXEEELSA-N 1 0 352.797 2.610 20 10 FFCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756552727 736342033 /nfs/dbraw/zinc/34/20/33/736342033.db2.gz HBWZVDAYQBENFY-NEPJUHHUSA-N 1 0 374.298 2.580 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(Br)cc1O ZINC000756732059 736356197 /nfs/dbraw/zinc/35/61/97/736356197.db2.gz LNMHXAWQGQHAPO-JCRCQARHSA-N 1 0 353.260 2.815 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)ccc1O ZINC000756733106 736356827 /nfs/dbraw/zinc/35/68/27/736356827.db2.gz OQNLYBUUBUJVEX-IQOUGMIPSA-N 1 0 353.260 2.815 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cc(Cl)ccc1O ZINC000757659238 736417176 /nfs/dbraw/zinc/41/71/76/736417176.db2.gz YSDCBOJIKPEKDF-WFASDCNBSA-N 1 0 362.861 2.621 20 10 FFCDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccc(N2CCOCC2)cc1Cl ZINC000757698797 736420263 /nfs/dbraw/zinc/42/02/63/736420263.db2.gz RRZZJCIZTMMXQI-CYBMUJFWSA-N 1 0 354.878 2.979 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nnc(C(F)(F)F)s3)cc2)CC1 ZINC000758457392 736490793 /nfs/dbraw/zinc/49/07/93/736490793.db2.gz OGIRUJVVPTXRSI-UHFFFAOYSA-N 1 0 357.405 2.921 20 10 FFCDRO CS[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1[NH+](C)C ZINC000760210634 736621756 /nfs/dbraw/zinc/62/17/56/736621756.db2.gz YEKFHNZNSWMDPT-DLBZAZTESA-N 1 0 358.511 2.607 20 10 FFCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CCOC1 ZINC000763571108 736948467 /nfs/dbraw/zinc/94/84/67/736948467.db2.gz HKACYZLVHMLCPT-RDTXWAMCSA-N 1 0 354.878 2.633 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1F ZINC000765980245 737180019 /nfs/dbraw/zinc/18/00/19/737180019.db2.gz XPOVLWKLSSXUMQ-OAHLLOKOSA-N 1 0 362.470 2.911 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccsc1 ZINC000765981600 737180373 /nfs/dbraw/zinc/18/03/73/737180373.db2.gz XKWYWNFKEUUCSM-AWEZNQCLSA-N 1 0 350.509 2.834 20 10 FFCDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000765982094 737180467 /nfs/dbraw/zinc/18/04/67/737180467.db2.gz ZLHQZJCRGMZJMN-HNNXBMFYSA-N 1 0 362.495 2.928 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C23CC[NH+](CC2)C3)cc1 ZINC000912109189 737265814 /nfs/dbraw/zinc/26/58/14/737265814.db2.gz FYNZDQHCPBOEIO-UHFFFAOYSA-N 1 0 355.404 2.739 20 10 FFCDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768781172 737457457 /nfs/dbraw/zinc/45/74/57/737457457.db2.gz NOTBXVDKZOZBGZ-UHFFFAOYSA-N 1 0 350.768 2.936 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1 ZINC000769531687 737539666 /nfs/dbraw/zinc/53/96/66/737539666.db2.gz FJTZALIZBZQNNP-IBGZPJMESA-N 1 0 367.559 2.827 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(F)CCCC3)cc2F)CC1 ZINC000772037236 737778505 /nfs/dbraw/zinc/77/85/05/737778505.db2.gz ONDUPSICVGSONU-UHFFFAOYSA-N 1 0 351.441 2.866 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSCC=C(C)C)CC2)cc1 ZINC000773566924 737920597 /nfs/dbraw/zinc/92/05/97/737920597.db2.gz VOZHDHFRQAZICY-GOSISDBHSA-N 1 0 350.528 2.878 20 10 FFCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000921118319 737946917 /nfs/dbraw/zinc/94/69/17/737946917.db2.gz QGIGDGBPAYUNMR-INIZCTEOSA-N 1 0 364.559 2.769 20 10 FFCDRO O[C@H]([C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1)C(F)(F)F ZINC000775135612 738064471 /nfs/dbraw/zinc/06/44/71/738064471.db2.gz CCBBZIBQTVYMGS-DOTOQJQBSA-N 1 0 358.404 2.658 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(Br)c[nH]3)C2)cc1 ZINC000922197408 738104460 /nfs/dbraw/zinc/10/44/60/738104460.db2.gz SHDBLASJKNNBMW-GFCCVEGCSA-N 1 0 365.275 2.797 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000775637589 738108359 /nfs/dbraw/zinc/10/83/59/738108359.db2.gz SWSSHUVTNHNOHO-UHFFFAOYSA-N 1 0 367.287 2.954 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)Nc1sccc1C(N)=O ZINC000775834764 738129861 /nfs/dbraw/zinc/12/98/61/738129861.db2.gz PZFGMVLXDGAXOH-RYUDHWBXSA-N 1 0 360.483 2.591 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@]2(OC)CCSC2)c1O ZINC000922571195 738167465 /nfs/dbraw/zinc/16/74/65/738167465.db2.gz IAFACKULAGGMLI-AWEZNQCLSA-N 1 0 362.289 2.775 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)cc1F ZINC000776520967 738202362 /nfs/dbraw/zinc/20/23/62/738202362.db2.gz RJNQACRDEFRTPA-LJQANCHMSA-N 1 0 354.466 2.854 20 10 FFCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000776870500 738240178 /nfs/dbraw/zinc/24/01/78/738240178.db2.gz VHPBQPFWBFPFON-DIOULYMOSA-N 1 0 374.275 2.626 20 10 FFCDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000777007352 738252795 /nfs/dbraw/zinc/25/27/95/738252795.db2.gz LWPSGXUKSKEQFC-ABAIWWIYSA-N 1 0 350.356 2.890 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)[C@H]1C ZINC000787420000 739135155 /nfs/dbraw/zinc/13/51/55/739135155.db2.gz BSVRYZZIDZJEOV-CABZTGNLSA-N 1 0 358.232 2.547 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1C(C)C ZINC000788386133 739241058 /nfs/dbraw/zinc/24/10/58/739241058.db2.gz HUMYADAMLDSUFW-KRWDZBQOSA-N 1 0 366.527 2.824 20 10 FFCDRO COC(=O)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000789572818 739369292 /nfs/dbraw/zinc/36/92/92/739369292.db2.gz REFKENFXMZJXFM-GOSISDBHSA-N 1 0 359.495 2.504 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1F ZINC000790540629 739467088 /nfs/dbraw/zinc/46/70/88/739467088.db2.gz VZDKMWQRXIOIBZ-KRWDZBQOSA-N 1 0 350.482 2.811 20 10 FFCDRO CO[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000792237979 739654095 /nfs/dbraw/zinc/65/40/95/739654095.db2.gz LXYDUZUZRDIPPV-NVXWUHKLSA-N 1 0 352.862 2.551 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)c1ccc(C)cc1O ZINC000794800594 739931973 /nfs/dbraw/zinc/93/19/73/739931973.db2.gz DIXJZHZZDCNKFB-GOSISDBHSA-N 1 0 362.495 2.991 20 10 FFCDRO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1O ZINC000794816095 739933431 /nfs/dbraw/zinc/93/34/31/739933431.db2.gz JUIDNJUZSSKXCE-QGZVFWFLSA-N 1 0 354.516 2.803 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1C(C)C ZINC000795655416 740049344 /nfs/dbraw/zinc/04/93/44/740049344.db2.gz SLDWZCLBWNOWIW-INIZCTEOSA-N 1 0 368.543 2.927 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000796482156 740146733 /nfs/dbraw/zinc/14/67/33/740146733.db2.gz JWYGDWGYOFBWCW-MJGOQNOKSA-N 1 0 367.559 2.730 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000796516744 740149447 /nfs/dbraw/zinc/14/94/47/740149447.db2.gz YDBMAAWNWHEMML-UHFFFAOYSA-N 1 0 368.886 2.731 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000797119704 740214500 /nfs/dbraw/zinc/21/45/00/740214500.db2.gz TZKKBRBDFGSCPX-PBHICJAKSA-N 1 0 366.527 2.736 20 10 FFCDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000798964244 740377790 /nfs/dbraw/zinc/37/77/90/740377790.db2.gz NVGHQOJAJYVDCQ-LJQANCHMSA-N 1 0 352.450 2.683 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000802659227 740715986 /nfs/dbraw/zinc/71/59/86/740715986.db2.gz XAVPJCBNZWLTEB-MRXNPFEDSA-N 1 0 352.228 2.987 20 10 FFCDRO C[NH+]1CCC(CCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805185188 740948301 /nfs/dbraw/zinc/94/83/01/740948301.db2.gz YZJFOAQQGAANCA-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(O)c1 ZINC000806182835 741045678 /nfs/dbraw/zinc/04/56/78/741045678.db2.gz DOCNJMHPLUGXNT-HOTGVXAUSA-N 1 0 360.479 2.814 20 10 FFCDRO CN(C(=O)NCCCSc1nccs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806961900 741098353 /nfs/dbraw/zinc/09/83/53/741098353.db2.gz YKDVCRYWWMMFQD-PBWFPOADSA-N 1 0 354.545 2.892 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)CC2 ZINC000808706171 741254428 /nfs/dbraw/zinc/25/44/28/741254428.db2.gz DTRDONNORWNRFN-AAEUAGOBSA-N 1 0 350.850 2.758 20 10 FFCDRO CSC1(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC[NH+](C)CC1 ZINC000811906010 741572308 /nfs/dbraw/zinc/57/23/08/741572308.db2.gz OWNNFWDHRMGEJH-OAHLLOKOSA-N 1 0 364.559 2.940 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc3ccccc3c2O)c1 ZINC000816537964 742040049 /nfs/dbraw/zinc/04/00/49/742040049.db2.gz ZQQDEHCNQYSRKW-UHFFFAOYSA-N 1 0 356.447 2.743 20 10 FFCDRO Cc1c(Cl)c(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)nn1C ZINC000817707823 742200096 /nfs/dbraw/zinc/20/00/96/742200096.db2.gz OTLKFOQRBYVPPF-XYOKQWHBSA-N 1 0 370.931 2.677 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000817938881 742223418 /nfs/dbraw/zinc/22/34/18/742223418.db2.gz VAEJEZAEZKFAMZ-IFXJQAMLSA-N 1 0 361.511 2.507 20 10 FFCDRO O[C@@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(F)(F)F ZINC000819121013 742339923 /nfs/dbraw/zinc/33/99/23/742339923.db2.gz SIEAVUFHZIXFDK-MFKMUULPSA-N 1 0 354.319 2.770 20 10 FFCDRO Cc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1F ZINC000823850883 742990192 /nfs/dbraw/zinc/99/01/92/742990192.db2.gz FHSVWUGABNVIFY-UHFFFAOYSA-N 1 0 362.470 2.659 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2cc(Br)ccc2=O)c1 ZINC000824542910 743101747 /nfs/dbraw/zinc/10/17/47/743101747.db2.gz DFJRKZFMQZLUNG-LLVKDONJSA-N 1 0 367.243 2.676 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824779527 743147091 /nfs/dbraw/zinc/14/70/91/743147091.db2.gz WYYUNDRWAJDIJL-UHFFFAOYSA-N 1 0 360.907 2.600 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825137571 743216397 /nfs/dbraw/zinc/21/63/97/743216397.db2.gz BITYVVXPJVUDKX-HNNXBMFYSA-N 1 0 366.255 2.993 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000825184205 743223635 /nfs/dbraw/zinc/22/36/35/743223635.db2.gz XMKMHCDMOSNQAY-KRWDZBQOSA-N 1 0 361.873 2.856 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000825338074 743251973 /nfs/dbraw/zinc/25/19/73/743251973.db2.gz LHWNRQWSROYSSD-OAHLLOKOSA-N 1 0 352.228 2.987 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000825885903 743338518 /nfs/dbraw/zinc/33/85/18/743338518.db2.gz LCLUEHBTQMQSOA-DOMZBBRYSA-N 1 0 360.907 2.552 20 10 FFCDRO OC[C@@]1([C@H]([NH2+]Cc2ccc(Br)cc2O)C2CC2)CCCO1 ZINC000826024192 743357703 /nfs/dbraw/zinc/35/77/03/743357703.db2.gz VFXKMDBWNWBTLH-HZPDHXFCSA-N 1 0 356.260 2.564 20 10 FFCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1Cl ZINC000826036456 743359977 /nfs/dbraw/zinc/35/99/77/743359977.db2.gz KEELDLDBZKDJFW-ZDUSSCGKSA-N 1 0 358.866 2.671 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cs2)cc1 ZINC000828993388 745151670 /nfs/dbraw/zinc/15/16/70/745151670.db2.gz DOVSGUGNFLEOSW-INIZCTEOSA-N 1 0 356.495 2.530 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000832293175 745673645 /nfs/dbraw/zinc/67/36/45/745673645.db2.gz QWANDFGVDZBALR-QGZVFWFLSA-N 1 0 365.836 2.740 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000834850613 745913899 /nfs/dbraw/zinc/91/38/99/745913899.db2.gz OCKLJTCIKUADRO-DZGCQCFKSA-N 1 0 371.319 2.961 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(Br)cc1O ZINC000834850963 745913978 /nfs/dbraw/zinc/91/39/78/745913978.db2.gz RHUHWVIEJGWHGE-TZMCWYRMSA-N 1 0 357.292 2.652 20 10 FFCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000834879071 745917625 /nfs/dbraw/zinc/91/76/25/745917625.db2.gz PPCLNFHZFBEVKX-DOTOQJQBSA-N 1 0 353.532 2.655 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+](C)C2CCN(OC)CC2)c1O ZINC000835076287 745945664 /nfs/dbraw/zinc/94/56/64/745945664.db2.gz MSXYNHIDKGHHLQ-UHFFFAOYSA-N 1 0 359.264 2.621 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835075708 745945752 /nfs/dbraw/zinc/94/57/52/745945752.db2.gz ZOXCLAVCWZWGMV-ZIAGYGMSSA-N 1 0 353.260 2.706 20 10 FFCDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000840979219 747249765 /nfs/dbraw/zinc/24/97/65/747249765.db2.gz ZRPWXDCTRMSTDR-LBPRGKRZSA-N 1 0 374.300 2.801 20 10 FFCDRO CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841071382 747263621 /nfs/dbraw/zinc/26/36/21/747263621.db2.gz FISAFTPVESJSCJ-SECBINFHSA-N 1 0 352.070 2.744 20 10 FFCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070163 747263966 /nfs/dbraw/zinc/26/39/66/747263966.db2.gz KZWTYKYZWYKBQN-LBPRGKRZSA-N 1 0 372.218 2.625 20 10 FFCDRO COc1cc(Br)cc(CN[C@H](CC[NH3+])C(F)(F)F)c1O ZINC000841091414 747267314 /nfs/dbraw/zinc/26/73/14/747267314.db2.gz ZAFXFMARTZMDIQ-SNVBAGLBSA-N 1 0 357.170 2.533 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cs2)cc1 ZINC000841851309 747476324 /nfs/dbraw/zinc/47/63/24/747476324.db2.gz PGYDSQXSCYOZEE-LJQANCHMSA-N 1 0 356.495 2.532 20 10 FFCDRO C[C@@H]1CCCN(c2ccc(CNC(=O)NCC3C[NH2+]C3)cc2Cl)C1 ZINC000841895862 747484086 /nfs/dbraw/zinc/48/40/86/747484086.db2.gz GWUYQYHJBBCKKU-CYBMUJFWSA-N 1 0 350.894 2.595 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000841944080 747490341 /nfs/dbraw/zinc/49/03/41/747490341.db2.gz VWXQHYSENNFALC-ZDUSSCGKSA-N 1 0 358.280 2.670 20 10 FFCDRO CCC[NH2+]CCNC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000841961151 747493000 /nfs/dbraw/zinc/49/30/00/747493000.db2.gz MNODGIYVJVNFJE-UHFFFAOYSA-N 1 0 358.280 2.686 20 10 FFCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1 ZINC000842882681 747713098 /nfs/dbraw/zinc/71/30/98/747713098.db2.gz CQXKWZJMIQJWOL-GJZGRUSLSA-N 1 0 361.463 2.895 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1C ZINC000842883224 747713945 /nfs/dbraw/zinc/71/39/45/747713945.db2.gz LNGCWPORIBTJIG-LSDHHAIUSA-N 1 0 361.463 2.895 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000842885296 747714396 /nfs/dbraw/zinc/71/43/96/747714396.db2.gz ZNFIQAPTAGOOGH-PBHICJAKSA-N 1 0 360.479 2.638 20 10 FFCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843345201 747814543 /nfs/dbraw/zinc/81/45/43/747814543.db2.gz ZNMBSBXQIAMUGA-NSHDSACASA-N 1 0 365.275 2.671 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000843350776 747815272 /nfs/dbraw/zinc/81/52/72/747815272.db2.gz YNYBSVAKXZRARV-UHFFFAOYSA-N 1 0 354.841 2.759 20 10 FFCDRO NC(=O)[C@H](c1ccc(Br)cc1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350966 747815494 /nfs/dbraw/zinc/81/54/94/747815494.db2.gz YYSYOXMWZCDSGD-KRWDZBQOSA-N 1 0 374.282 2.887 20 10 FFCDRO COC/C(C)=C\C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845832354 748334076 /nfs/dbraw/zinc/33/40/76/748334076.db2.gz CEBMRQFNHKQWDF-RQPMMQJISA-N 1 0 352.862 2.719 20 10 FFCDRO COc1c(O)c(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000846015052 748382489 /nfs/dbraw/zinc/38/24/89/748382489.db2.gz VTBDNLFTFFQTEP-BONVTDFDSA-N 1 0 350.346 2.660 20 10 FFCDRO C[NH2+]Cc1ccccc1CNC(=O)NCCCSc1nccs1 ZINC000846152277 748416067 /nfs/dbraw/zinc/41/60/67/748416067.db2.gz ABUJYYPCINJZOK-UHFFFAOYSA-N 1 0 350.513 2.844 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000848546055 748955568 /nfs/dbraw/zinc/95/55/68/748955568.db2.gz QOMPHWBFXSJJRF-BMIGLBTASA-N 1 0 360.248 2.619 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000848547546 748956331 /nfs/dbraw/zinc/95/63/31/748956331.db2.gz QSQOBKPNXHASTC-SNVBAGLBSA-N 1 0 360.248 2.967 20 10 FFCDRO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850067988 749295213 /nfs/dbraw/zinc/29/52/13/749295213.db2.gz AXIIOYWPZXANDL-UHFFFAOYSA-N 1 0 354.376 2.565 20 10 FFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C1CCOCC1 ZINC000850351158 749350026 /nfs/dbraw/zinc/35/00/26/749350026.db2.gz KFGOZEFMRNJOER-AWEZNQCLSA-N 1 0 374.275 2.695 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)ccc1OC ZINC000850353522 749350652 /nfs/dbraw/zinc/35/06/52/749350652.db2.gz FKHVRQBWZPISKS-YTQUADARSA-N 1 0 351.487 2.887 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCCC2)cc1)CC(F)(F)F ZINC000850363579 749352627 /nfs/dbraw/zinc/35/26/27/749352627.db2.gz ASIPXUSBBVWGCT-UHFFFAOYSA-N 1 0 364.433 2.744 20 10 FFCDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C2=CC(=O)CS2)CC1 ZINC000854334785 750285375 /nfs/dbraw/zinc/28/53/75/750285375.db2.gz RAZBATLISPAGSB-HNNXBMFYSA-N 1 0 354.516 2.787 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1cc(F)ccc1O ZINC000394127120 845861899 /nfs/dbraw/zinc/86/18/99/845861899.db2.gz CUHXJZRJPVXXHG-TZMCWYRMSA-N 1 0 354.422 2.818 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC([NH2+]C4CCC4)CC3)C2)cc1 ZINC000895651485 970822980 /nfs/dbraw/zinc/82/29/80/970822980.db2.gz ZPYWRXSJCDJSTR-SFHVURJKSA-N 1 0 372.513 2.590 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)c(O)c1OC ZINC000895667690 970834854 /nfs/dbraw/zinc/83/48/54/970834854.db2.gz SXNQKYJCSHKDBJ-GXTWGEPZSA-N 1 0 366.458 2.897 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 ZINC000182349093 971020998 /nfs/dbraw/zinc/02/09/98/971020998.db2.gz PUBHTHVMBQOBPY-DOXZYTNZSA-N 1 0 364.486 2.763 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000182396623 971025750 /nfs/dbraw/zinc/02/57/50/971025750.db2.gz AFDUCSSGSIWOQP-GFCCVEGCSA-N 1 0 359.382 2.907 20 10 FFCDRO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)OCC1=O ZINC001275837745 1013059586 /nfs/dbraw/zinc/05/95/86/1013059586.db2.gz RXWCWICXMFITPY-SCLBCKFNSA-N 1 0 352.862 2.647 20 10 FFCDRO CCCN(CC(F)(F)F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000896445825 971495112 /nfs/dbraw/zinc/49/51/12/971495112.db2.gz ZRGBUEDEMQSOPM-UHFFFAOYSA-N 1 0 372.435 2.922 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000311310325 971854435 /nfs/dbraw/zinc/85/44/35/971854435.db2.gz UBLPWAWVGJRLRP-KBPBESRZSA-N 1 0 366.458 2.687 20 10 FFCDRO CCn1cc([C@@H](C)[NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000162782009 971964047 /nfs/dbraw/zinc/96/40/47/971964047.db2.gz BMTOXBAEQRCSMC-GOSISDBHSA-N 1 0 371.529 2.775 20 10 FFCDRO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275896104 1013157465 /nfs/dbraw/zinc/15/74/65/1013157465.db2.gz SZFFJYUUYMJKSI-LJQANCHMSA-N 1 0 366.889 2.753 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCN3CCc4ccccc43)cc2F)CC1 ZINC001116019207 1032068280 /nfs/dbraw/zinc/06/82/80/1032068280.db2.gz SUTVKRZSFDBKNH-UHFFFAOYSA-N 1 0 368.500 2.730 20 10 FFCDRO Cc1cc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000872215965 1013181832 /nfs/dbraw/zinc/18/18/32/1013181832.db2.gz KDMJZYUETMAKDE-NRFANRHFSA-N 1 0 372.509 2.785 20 10 FFCDRO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001271242431 972403621 /nfs/dbraw/zinc/40/36/21/972403621.db2.gz WDGKOSBEXFISJK-AGUYFDCRSA-N 1 0 373.478 2.788 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cnn(C)c2)cc1C ZINC001087117931 961322483 /nfs/dbraw/zinc/32/24/83/961322483.db2.gz ODJLHRZORXGUAE-BEFAXECRSA-N 1 0 370.497 2.768 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC(c3nc(C4CCC4)no3)CC1)[C@H](O)CO2 ZINC000872718977 1013251751 /nfs/dbraw/zinc/25/17/51/1013251751.db2.gz QIUFSHYLOOYVNM-QGZVFWFLSA-N 1 0 371.437 2.848 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn(C3CCC3)c2)[NH+](C)C)cc1 ZINC000891244218 962543684 /nfs/dbraw/zinc/54/36/84/962543684.db2.gz YESAETWSJYZJLC-IBGZPJMESA-N 1 0 355.486 2.707 20 10 FFCDRO C[C@H]1CCn2ncc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2C1 ZINC000891245394 962558345 /nfs/dbraw/zinc/55/83/45/962558345.db2.gz DFTWKRKKTAJONV-YWZLYKJASA-N 1 0 369.513 2.564 20 10 FFCDRO C/C(=C\c1ccccn1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891246165 962564443 /nfs/dbraw/zinc/56/44/43/962564443.db2.gz MRMHNLQTSVSPRH-KETLNSEPSA-N 1 0 352.482 2.970 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncoc2C(F)(F)F)[NH+](C)C)cc1 ZINC000891246667 962567249 /nfs/dbraw/zinc/56/72/49/962567249.db2.gz DQJSJGWJTIURLP-CYBMUJFWSA-N 1 0 370.375 2.792 20 10 FFCDRO Cc1ccn([C@H](C)CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891247729 962580659 /nfs/dbraw/zinc/58/06/59/962580659.db2.gz UTFJUJNNFYLRIJ-APWZRJJASA-N 1 0 357.502 2.628 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccnc3ccncc32)[NH+](C)C)cc1 ZINC000891248783 962588990 /nfs/dbraw/zinc/58/89/90/962588990.db2.gz NYJUFWGJHFGPLE-FQEVSTJZSA-N 1 0 363.465 2.729 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cn1cccn1 ZINC000873096007 1013383206 /nfs/dbraw/zinc/38/32/06/1013383206.db2.gz SSTRJDRYESIPSQ-MISYRCLQSA-N 1 0 353.466 2.987 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3CCCCC3)CC2)cc1 ZINC000011853404 1013473650 /nfs/dbraw/zinc/47/36/50/1013473650.db2.gz SJUMYDISZWDTKO-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)NOC3CC[NH+](C)CC3)c2C)cc1 ZINC000773550102 1013648834 /nfs/dbraw/zinc/64/88/34/1013648834.db2.gz OOFKPZJJORWUQE-UHFFFAOYSA-N 1 0 357.454 2.858 20 10 FFCDRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158329004 966527697 /nfs/dbraw/zinc/52/76/97/966527697.db2.gz CCESHSMYZATIEE-IRXDYDNUSA-N 1 0 366.477 2.756 20 10 FFCDRO C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161390258 966921892 /nfs/dbraw/zinc/92/18/92/966921892.db2.gz GBQLFAROSZEDDK-FXAWDEMLSA-N 1 0 359.514 2.792 20 10 FFCDRO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773611950 1013859429 /nfs/dbraw/zinc/85/94/29/1013859429.db2.gz BGBBZPIMJGHSCV-MRXNPFEDSA-N 1 0 353.470 2.740 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c(O)c1OC ZINC000892506509 969214558 /nfs/dbraw/zinc/21/45/58/969214558.db2.gz FQCFVWSTGKUTCW-SFHVURJKSA-N 1 0 372.465 2.573 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000066196472 969290934 /nfs/dbraw/zinc/29/09/34/969290934.db2.gz JYBKHFNHGAGEJM-KRWDZBQOSA-N 1 0 362.518 2.647 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1F ZINC000875180134 1013986795 /nfs/dbraw/zinc/98/67/95/1013986795.db2.gz KBMOGSPMABQTMQ-UHFFFAOYSA-N 1 0 374.464 2.677 20 10 FFCDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1Cc2cccc(O)c2C1 ZINC000875231898 1013998903 /nfs/dbraw/zinc/99/89/03/1013998903.db2.gz ZUNLFERZFSAXOU-SFHVURJKSA-N 1 0 365.477 2.982 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895393906 970567527 /nfs/dbraw/zinc/56/75/27/970567527.db2.gz JFGLHOAEVGUNTQ-QGZVFWFLSA-N 1 0 358.530 2.872 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1F ZINC000237266198 970587681 /nfs/dbraw/zinc/58/76/81/970587681.db2.gz PWTRCTDHAJBTAC-HZPDHXFCSA-N 1 0 363.477 2.509 20 10 FFCDRO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000895550303 970747288 /nfs/dbraw/zinc/74/72/88/970747288.db2.gz FSXVEIBKEOAXCX-UHFFFAOYSA-N 1 0 367.493 2.851 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000125067361 973029771 /nfs/dbraw/zinc/02/97/71/973029771.db2.gz VWJICXHXZDVNKB-ZWKOTPCHSA-N 1 0 374.529 2.615 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC000897044072 973187682 /nfs/dbraw/zinc/18/76/82/973187682.db2.gz YSYISDSJSZBPNP-FQEVSTJZSA-N 1 0 373.541 2.776 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]CC2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000898449565 976460405 /nfs/dbraw/zinc/46/04/05/976460405.db2.gz HJRCKEDVEGIUHQ-FQEVSTJZSA-N 1 0 361.530 2.878 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)c(O)c1OC ZINC000898448415 976460617 /nfs/dbraw/zinc/46/06/17/976460617.db2.gz RTZDMMCNSQPARZ-GOSISDBHSA-N 1 0 373.497 2.868 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)N(C)C)cc1 ZINC000898446850 976469115 /nfs/dbraw/zinc/46/91/15/976469115.db2.gz CLJOOCSBELSXTP-HXUWFJFHSA-N 1 0 364.497 2.726 20 10 FFCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CN1C(C)=O ZINC000876771352 1014386335 /nfs/dbraw/zinc/38/63/35/1014386335.db2.gz XRMUKMXPFVJCNC-PMACEKPBSA-N 1 0 373.541 2.869 20 10 FFCDRO Cc1cc(C[NH3+])oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000876872863 1014407078 /nfs/dbraw/zinc/40/70/78/1014407078.db2.gz PCCGMHFILFCWLN-GOSISDBHSA-N 1 0 371.481 2.934 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000796582353 1014412514 /nfs/dbraw/zinc/41/25/14/1014412514.db2.gz WYGIQMPGUJJSSJ-NRFANRHFSA-N 1 0 353.466 2.783 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)CC3(OC)CCC3)CC2)cc1 ZINC000759991498 977747094 /nfs/dbraw/zinc/74/70/94/977747094.db2.gz CJMFTRSTXXOTKY-SFHVURJKSA-N 1 0 361.530 2.755 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCOc3ccc4c(c3)OCO4)cc2)CC1 ZINC000876954900 1014431422 /nfs/dbraw/zinc/43/14/22/1014431422.db2.gz PMBPGMNBQHSONB-UHFFFAOYSA-N 1 0 370.449 2.545 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)NC1CCCCC1 ZINC000876956213 1014432754 /nfs/dbraw/zinc/43/27/54/1014432754.db2.gz GOXBILFFCIAXIY-UHFFFAOYSA-N 1 0 359.514 2.576 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCC[C@H]1C ZINC000876997687 1014444855 /nfs/dbraw/zinc/44/48/55/1014444855.db2.gz DRMGQMVSZVTXLU-SJORKVTESA-N 1 0 359.514 2.527 20 10 FFCDRO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877004900 1014447320 /nfs/dbraw/zinc/44/73/20/1014447320.db2.gz VGDBEGXJJUHLKH-UHFFFAOYSA-N 1 0 355.482 2.958 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)Nc1ccccc1 ZINC000877024946 1014452237 /nfs/dbraw/zinc/45/22/37/1014452237.db2.gz TZOFIQZRNXZYOU-MRXNPFEDSA-N 1 0 353.466 2.765 20 10 FFCDRO CN(c1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1)C1CCCCC1 ZINC000237054715 978066992 /nfs/dbraw/zinc/06/69/92/978066992.db2.gz MHPSQHAMOUVWIA-HXUWFJFHSA-N 1 0 359.514 2.840 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)cc2)CC1 ZINC000877024967 1014452708 /nfs/dbraw/zinc/45/27/08/1014452708.db2.gz UWNQREIBZOOBMV-UHFFFAOYSA-N 1 0 373.522 2.860 20 10 FFCDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000877559501 978125951 /nfs/dbraw/zinc/12/59/51/978125951.db2.gz XDNZLHCNKZONHG-JOCHJYFZSA-N 1 0 354.494 2.995 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(OCCO)c(OC)c2)c1O ZINC000894203886 978146851 /nfs/dbraw/zinc/14/68/51/978146851.db2.gz XGVNLCBODDACIP-CQSZACIVSA-N 1 0 361.438 2.940 20 10 FFCDRO Cc1cccn2cc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)nc12 ZINC000877151098 1014490970 /nfs/dbraw/zinc/49/09/70/1014490970.db2.gz GYRNOGKNFWTVRC-UHFFFAOYSA-N 1 0 350.466 2.894 20 10 FFCDRO O=C1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CN1C1CCCCC1 ZINC000877329027 1014550777 /nfs/dbraw/zinc/55/07/77/1014550777.db2.gz PFLKFFSUQJAINW-SFHVURJKSA-N 1 0 371.525 2.671 20 10 FFCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877497998 1014602363 /nfs/dbraw/zinc/60/23/63/1014602363.db2.gz HWQMGMZEVNZCFE-FQEVSTJZSA-N 1 0 354.494 2.731 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000877496071 1014600162 /nfs/dbraw/zinc/60/01/62/1014600162.db2.gz LTNBUXYCSNUCPE-AEFFLSMTSA-N 1 0 357.454 2.761 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N(C)C)cc1 ZINC000163342995 979771364 /nfs/dbraw/zinc/77/13/64/979771364.db2.gz OERKDDFJGSAHAV-GOSISDBHSA-N 1 0 366.509 2.752 20 10 FFCDRO [NH3+]CCN(Cc1ccc(N2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000877521985 1014610848 /nfs/dbraw/zinc/61/08/48/1014610848.db2.gz JRINQWWEYYKGFK-UHFFFAOYSA-N 1 0 370.453 2.521 20 10 FFCDRO [NH3+]CCN(Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000877524166 1014611305 /nfs/dbraw/zinc/61/13/05/1014611305.db2.gz RSSNWGJWTMUMSL-UHFFFAOYSA-N 1 0 370.453 2.521 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCc2ccccc21 ZINC000877608996 1014643118 /nfs/dbraw/zinc/64/31/18/1014643118.db2.gz BYMIIGBCPMCQFJ-QHCPKHFHSA-N 1 0 366.505 2.614 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[C@H](O)c3ccccc3)C2)cc1 ZINC000905288835 980414625 /nfs/dbraw/zinc/41/46/25/980414625.db2.gz GAOVLDOGUWDFSU-AGHHOFFYSA-N 1 0 370.493 2.596 20 10 FFCDRO O=C(c1ccc(O)c(O)c1O)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001272043290 980562825 /nfs/dbraw/zinc/56/28/25/980562825.db2.gz CINGYXVAAGIHRZ-FQEVSTJZSA-N 1 0 360.454 2.674 20 10 FFCDRO O=C(c1ccc(O)c(O)c1O)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001272043292 980562874 /nfs/dbraw/zinc/56/28/74/980562874.db2.gz CINGYXVAAGIHRZ-HXUWFJFHSA-N 1 0 360.454 2.674 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000906419784 980653813 /nfs/dbraw/zinc/65/38/13/980653813.db2.gz OHUCCSSNXCUHPT-PKOBYXMFSA-N 1 0 359.514 2.822 20 10 FFCDRO COc1cccc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)c1O ZINC000237394529 981543697 /nfs/dbraw/zinc/54/36/97/981543697.db2.gz IKJYLHRCIHBKRK-UHFFFAOYSA-N 1 0 350.418 2.901 20 10 FFCDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001142509011 982464479 /nfs/dbraw/zinc/46/44/79/982464479.db2.gz SWTWIQROPUBCHA-ZDUSSCGKSA-N 1 0 372.412 2.738 20 10 FFCDRO C[C@@H](Cc1cccnc1)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898310289 982679147 /nfs/dbraw/zinc/67/91/47/982679147.db2.gz VEBMDGNIRGEGOF-JXFKEZNVSA-N 1 0 369.513 2.681 20 10 FFCDRO OCC1(C[C@@H](O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCCC1 ZINC000878241571 1014940855 /nfs/dbraw/zinc/94/08/55/1014940855.db2.gz WTCSAPRLIFWRSR-MOPGFXCFSA-N 1 0 363.498 2.677 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000911667232 983863928 /nfs/dbraw/zinc/86/39/28/983863928.db2.gz OZUOMOCDJYRQSI-ARFHVFGLSA-N 1 0 373.419 2.759 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N1CCOCC1 ZINC000165014332 984427315 /nfs/dbraw/zinc/42/73/15/984427315.db2.gz PEIXPCILHHQGMA-FXAWDEMLSA-N 1 0 359.514 2.965 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CCSC)C[C@H]2C)cc1C ZINC001105804054 984523308 /nfs/dbraw/zinc/52/33/08/984523308.db2.gz VZRCLLWZGSLXRQ-NVXWUHKLSA-N 1 0 350.528 2.941 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)COCC3CC3)C[C@H]2C)cc1C ZINC001105870072 984603031 /nfs/dbraw/zinc/60/30/31/984603031.db2.gz PKQWIKIHOWPNCN-VQIMIIECSA-N 1 0 360.498 2.614 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cncc(F)c1 ZINC000765253731 985006323 /nfs/dbraw/zinc/00/63/23/985006323.db2.gz LUPWBMNZPSESLY-GOEBONIOSA-N 1 0 356.445 2.773 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1O ZINC000174468239 986229525 /nfs/dbraw/zinc/22/95/25/986229525.db2.gz QVYSOMRSZRYDQZ-QGZVFWFLSA-N 1 0 370.449 2.560 20 10 FFCDRO CCOC(=O)COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000174642068 986396530 /nfs/dbraw/zinc/39/65/30/986396530.db2.gz UEYZEWVWIFJXOL-UHFFFAOYSA-N 1 0 355.434 2.896 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000922808333 988929077 /nfs/dbraw/zinc/92/90/77/988929077.db2.gz XRTVDGXURHRGDF-FQEVSTJZSA-N 1 0 360.498 2.982 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000154085583 989836292 /nfs/dbraw/zinc/83/62/92/989836292.db2.gz QQQKRPVKSBAFTB-UHFFFAOYSA-N 1 0 354.450 2.926 20 10 FFCDRO CC(C)CN(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000154091473 989841155 /nfs/dbraw/zinc/84/11/55/989841155.db2.gz OEMVHYKDNCDYOT-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702604884 990008920 /nfs/dbraw/zinc/00/89/20/990008920.db2.gz ZZTRKCLVZWJFPC-IIBYNOLFSA-N 1 0 356.466 2.688 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000917459889 990220476 /nfs/dbraw/zinc/22/04/76/990220476.db2.gz QJSRZIUCDJOASQ-UHFFFAOYSA-N 1 0 372.465 2.744 20 10 FFCDRO CCc1cc(C[NH+]2CCC(NC(=O)COC)CC2)c(O)c(C(C)(C)C)c1 ZINC000919939414 990766353 /nfs/dbraw/zinc/76/63/53/990766353.db2.gz SGVCRMBQTBVMMD-UHFFFAOYSA-N 1 0 362.514 2.979 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000179928701 991380891 /nfs/dbraw/zinc/38/08/91/991380891.db2.gz NHWAKXJJIWQZBG-INIZCTEOSA-N 1 0 359.401 2.936 20 10 FFCDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549049 991467181 /nfs/dbraw/zinc/46/71/81/991467181.db2.gz JWKVDHISSVLWJP-KRWDZBQOSA-N 1 0 362.518 2.615 20 10 FFCDRO COc1ccc(O)c(C[N@H+](C)CCN2CCN(c3ccccc3)CC2)c1 ZINC000180362306 991485276 /nfs/dbraw/zinc/48/52/76/991485276.db2.gz HZMVBYGSNJDTLT-UHFFFAOYSA-N 1 0 355.482 2.655 20 10 FFCDRO Cc1cccc(C[NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)c1O ZINC000181340359 991736920 /nfs/dbraw/zinc/73/69/20/991736920.db2.gz VBYRDBCTMYNUGJ-UHFFFAOYSA-N 1 0 367.493 2.919 20 10 FFCDRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182414557 992043181 /nfs/dbraw/zinc/04/31/81/992043181.db2.gz VICHYJVOGJUGRO-CQSZACIVSA-N 1 0 358.438 2.514 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)ncn1 ZINC000184436434 992753350 /nfs/dbraw/zinc/75/33/50/992753350.db2.gz KRVMDNXBAWWBBU-UHFFFAOYSA-N 1 0 367.497 2.798 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)n1-c1ccc(F)cn1 ZINC000880141716 1015766411 /nfs/dbraw/zinc/76/64/11/1015766411.db2.gz KQBYWGWYIUNTGN-MOPGFXCFSA-N 1 0 370.472 2.979 20 10 FFCDRO CC1CC(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001081025855 993552878 /nfs/dbraw/zinc/55/28/78/993552878.db2.gz AWZPFBFSNSTIHP-NHMAURGWSA-N 1 0 357.458 2.945 20 10 FFCDRO CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H](C)[C@@H]1C[NH2+]CCO1)N=[N+]=[N-] ZINC001170563402 994312800 /nfs/dbraw/zinc/31/28/00/994312800.db2.gz LWCWQTGMCYXKDP-JEJBDVSJSA-N 1 0 374.445 2.702 20 10 FFCDRO COC(=O)c1cc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cn1C ZINC000809551002 994544950 /nfs/dbraw/zinc/54/49/50/994544950.db2.gz MFYYAAGEPAMWPO-UHFFFAOYSA-N 1 0 357.454 2.533 20 10 FFCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000809723091 994593838 /nfs/dbraw/zinc/59/38/38/994593838.db2.gz BGIFUKOLLGMEGP-HNNXBMFYSA-N 1 0 366.458 2.852 20 10 FFCDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3ccccc3O)c2)n1 ZINC000809762555 994605812 /nfs/dbraw/zinc/60/58/12/994605812.db2.gz RYYWHSSNMLOVJN-UHFFFAOYSA-N 1 0 352.394 2.644 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593297126 994701292 /nfs/dbraw/zinc/70/12/92/994701292.db2.gz RJMRNBWBQREEQQ-RDTXWAMCSA-N 1 0 370.449 2.508 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000810165353 994713466 /nfs/dbraw/zinc/71/34/66/994713466.db2.gz PHBITTOAABMANY-VXKWHMMOSA-N 1 0 352.478 2.779 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC(C)(C)CO3)cc2)CC1 ZINC001132903150 995199902 /nfs/dbraw/zinc/19/99/02/995199902.db2.gz UNFVQRBOQXDTOC-IBGZPJMESA-N 1 0 359.514 2.650 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCc1ccccc1O3)[C@H](O)CO2 ZINC000811782571 995243660 /nfs/dbraw/zinc/24/36/60/995243660.db2.gz OTWAKVVRNWHWHA-WIYYLYMNSA-N 1 0 353.418 2.788 20 10 FFCDRO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc3c(cc1O)OC[C@@H]3O)C2 ZINC000811794666 995264980 /nfs/dbraw/zinc/26/49/80/995264980.db2.gz VUAAZXLVUCMCKL-IBGZPJMESA-N 1 0 353.418 2.874 20 10 FFCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000727859806 995992226 /nfs/dbraw/zinc/99/22/26/995992226.db2.gz AZLGPWZGYLCRLI-HXUWFJFHSA-N 1 0 355.482 2.935 20 10 FFCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000827260161 1016060057 /nfs/dbraw/zinc/06/00/57/1016060057.db2.gz OYXDWSDGYDIYLU-CYBMUJFWSA-N 1 0 373.419 2.546 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)OCC(C)C)cc2F)CC1 ZINC000730192568 996956696 /nfs/dbraw/zinc/95/66/96/996956696.db2.gz GZHMFJGDRYGKMV-INIZCTEOSA-N 1 0 365.493 2.645 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)C2)cc1 ZINC000824681194 997051121 /nfs/dbraw/zinc/05/11/21/997051121.db2.gz FYWBPUOLVGVENI-IEBWSBKVSA-N 1 0 374.529 2.646 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824830472 997118232 /nfs/dbraw/zinc/11/82/32/997118232.db2.gz TYBSWQYQCASTAQ-OCCSQVGLSA-N 1 0 372.387 2.634 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)ccc1OC ZINC000825046377 997193763 /nfs/dbraw/zinc/19/37/63/997193763.db2.gz SOYLSUOEFXTWSA-FXAWDEMLSA-N 1 0 359.470 2.975 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000826845074 1016100598 /nfs/dbraw/zinc/10/05/98/1016100598.db2.gz DVKFLIPFDITGMW-FJVVXJACSA-N 1 0 356.422 2.843 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000844175431 997695346 /nfs/dbraw/zinc/69/53/46/997695346.db2.gz MSWRQMHBYOCMDB-UHFFFAOYSA-N 1 0 367.493 2.810 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC4CCC4)C[C@H]32)cc1 ZINC001084861976 997709371 /nfs/dbraw/zinc/70/93/71/997709371.db2.gz ORPHPDWSMXOYOR-NVXWUHKLSA-N 1 0 355.442 2.795 20 10 FFCDRO Cn1ncc2c1ncnc2N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731903248 998321569 /nfs/dbraw/zinc/32/15/69/998321569.db2.gz FXVVTEUCSSZUKL-AWEZNQCLSA-N 1 0 372.860 2.799 20 10 FFCDRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144504112 998612213 /nfs/dbraw/zinc/61/22/13/998612213.db2.gz MDALANJDVPSAJH-UHFFFAOYSA-N 1 0 372.421 2.667 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)CN1c1ccc(F)cc1 ZINC001144509436 998622710 /nfs/dbraw/zinc/62/27/10/998622710.db2.gz BAIDYTDZWQTFBD-HXUWFJFHSA-N 1 0 372.396 2.572 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515805 998627646 /nfs/dbraw/zinc/62/76/46/998627646.db2.gz ZFKYLQHPCGAVED-RYUDHWBXSA-N 1 0 352.431 2.539 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc[nH]c(=O)c2)cc1C ZINC001085167818 999055825 /nfs/dbraw/zinc/05/58/25/999055825.db2.gz MQIRGIGLMAQFEE-QZTJIDSGSA-N 1 0 369.465 2.935 20 10 FFCDRO CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000733995363 999169111 /nfs/dbraw/zinc/16/91/11/999169111.db2.gz DYTKRHAEHXOYAU-UHFFFAOYSA-N 1 0 363.502 2.519 20 10 FFCDRO Oc1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)OCO2 ZINC000734843033 999347522 /nfs/dbraw/zinc/34/75/22/999347522.db2.gz CLZWHGJVZVSKHU-CXAGYDPISA-N 1 0 369.339 2.745 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000734846328 999348163 /nfs/dbraw/zinc/34/81/63/999348163.db2.gz QZEYGNASKBIFAB-QFIPXVFZSA-N 1 0 353.510 2.869 20 10 FFCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C[C@@H]1C ZINC000766253998 999672119 /nfs/dbraw/zinc/67/21/19/999672119.db2.gz ZDZNESKYGMIHBN-DLBZAZTESA-N 1 0 374.529 2.788 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(C1)CCCCC3)cc2=O ZINC000741809658 999743819 /nfs/dbraw/zinc/74/38/19/999743819.db2.gz XUTCOBBNPJCIBP-UHFFFAOYSA-N 1 0 358.442 2.768 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001086204732 999806199 /nfs/dbraw/zinc/80/61/99/999806199.db2.gz IDESZMZUXICRDF-LYYGHALDSA-N 1 0 358.482 2.556 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N2CCOCC2)cc1Cl ZINC000766531509 1000007206 /nfs/dbraw/zinc/00/72/06/1000007206.db2.gz NPFWSKNIMDOSHI-ZDUSSCGKSA-N 1 0 374.872 2.521 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cc4cnccc4o3)CC2)cc1 ZINC000845926211 1000185548 /nfs/dbraw/zinc/18/55/48/1000185548.db2.gz DNBXHSSEDGROSZ-UHFFFAOYSA-N 1 0 366.465 2.748 20 10 FFCDRO COC(=O)CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1C ZINC000845971571 1000188419 /nfs/dbraw/zinc/18/84/19/1000188419.db2.gz LREINGMGYHFNSX-LBPRGKRZSA-N 1 0 361.442 2.628 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)c1O ZINC000846137238 1000217719 /nfs/dbraw/zinc/21/77/19/1000217719.db2.gz CMPGKICNSOYWSU-QGZVFWFLSA-N 1 0 355.482 2.874 20 10 FFCDRO C[NH2+]Cc1ccccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000846205274 1000220573 /nfs/dbraw/zinc/22/05/73/1000220573.db2.gz ONBSEXXTZIFSSR-UHFFFAOYSA-N 1 0 353.466 2.990 20 10 FFCDRO CC[C@@H](F)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001096641450 1016394971 /nfs/dbraw/zinc/39/49/71/1016394971.db2.gz QNNXIPGZKHUZAS-OJLVUWQFSA-N 1 0 361.421 2.932 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cn2c(n1)CCCC2 ZINC000846261206 1000247017 /nfs/dbraw/zinc/24/70/17/1000247017.db2.gz OLPPPOPLIOIPLF-INIZCTEOSA-N 1 0 354.498 2.884 20 10 FFCDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441860 1000248649 /nfs/dbraw/zinc/24/86/49/1000248649.db2.gz LHPSRDRVHHJSEJ-IBGZPJMESA-N 1 0 351.406 2.636 20 10 FFCDRO Cc1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000768441699 1000248679 /nfs/dbraw/zinc/24/86/79/1000248679.db2.gz GGBCSNIPCWBCDS-FQEVSTJZSA-N 1 0 354.450 2.839 20 10 FFCDRO CC1(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCOCC1 ZINC000768912058 1000384172 /nfs/dbraw/zinc/38/41/72/1000384172.db2.gz VXLZBWUIEKHKDZ-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1=CC(=O)CS1 ZINC000768910245 1000384787 /nfs/dbraw/zinc/38/47/87/1000384787.db2.gz CTVZJKCXOSAMOU-UHFFFAOYSA-N 1 0 371.506 2.916 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCCC1 ZINC000846683779 1000408604 /nfs/dbraw/zinc/40/86/04/1000408604.db2.gz VKINPYUTUXDTGW-JOCHJYFZSA-N 1 0 367.493 2.883 20 10 FFCDRO COc1cccc(O)c1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000769105668 1000434748 /nfs/dbraw/zinc/43/47/48/1000434748.db2.gz DMKKAIDFAARJLQ-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO COc1cccc(O)c1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000769180785 1000458792 /nfs/dbraw/zinc/45/87/92/1000458792.db2.gz SHUFNHQPKRGNSQ-UHFFFAOYSA-N 1 0 355.482 2.935 20 10 FFCDRO Cc1ccc(O)c(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000769335716 1000496542 /nfs/dbraw/zinc/49/65/42/1000496542.db2.gz XUPDMVKARLJIDU-UHFFFAOYSA-N 1 0 363.502 2.685 20 10 FFCDRO COc1cc(CN2CC[NH+](Cc3c(O)cccc3OC)CC2)cc(OC)c1 ZINC000769532925 1000543634 /nfs/dbraw/zinc/54/36/34/1000543634.db2.gz LIMSPEXNJAMNMV-UHFFFAOYSA-N 1 0 372.465 2.736 20 10 FFCDRO CC[C@H](OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)OC ZINC000769664570 1000573005 /nfs/dbraw/zinc/57/30/05/1000573005.db2.gz IEIFQLMYHLFNTG-IBGZPJMESA-N 1 0 372.465 2.903 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccon3)C2)cc1 ZINC001086886328 1001326684 /nfs/dbraw/zinc/32/66/84/1001326684.db2.gz XOPKRQAQIMBENP-SWLSCSKDSA-N 1 0 370.413 2.525 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CN3Cc4ccccc4[C@@H]3C)CC2)cc1 ZINC000746671929 1001682447 /nfs/dbraw/zinc/68/24/47/1001682447.db2.gz QBHOEDHIIIHXQE-KRWDZBQOSA-N 1 0 365.477 2.921 20 10 FFCDRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774481929 1001926174 /nfs/dbraw/zinc/92/61/74/1001926174.db2.gz JELHKTFZKHBXKU-CABCVRRESA-N 1 0 368.481 2.790 20 10 FFCDRO C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1Cc1ccccc1 ZINC000789987841 1002249717 /nfs/dbraw/zinc/24/97/17/1002249717.db2.gz XQZIXUJICIPCQU-CQSZACIVSA-N 1 0 358.413 2.974 20 10 FFCDRO O=C(CNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)c1ccc(O)c(O)c1 ZINC001170315347 1003104500 /nfs/dbraw/zinc/10/45/00/1003104500.db2.gz VQXHWXJLJJLYQQ-UHFFFAOYSA-N 1 0 352.434 2.960 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000792833092 1003199674 /nfs/dbraw/zinc/19/96/74/1003199674.db2.gz VIHFEPACPBLSRO-HNNXBMFYSA-N 1 0 371.447 2.926 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000792939539 1003227008 /nfs/dbraw/zinc/22/70/08/1003227008.db2.gz KPOFWJLLHQTRED-GOSISDBHSA-N 1 0 369.465 2.865 20 10 FFCDRO CCOC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000867152856 1003653891 /nfs/dbraw/zinc/65/38/91/1003653891.db2.gz SISHQDKAZXXVGH-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccc1C ZINC000747232552 1003956094 /nfs/dbraw/zinc/95/60/94/1003956094.db2.gz YBYGTKMZVSQJHE-RTBURBONSA-N 1 0 367.493 2.996 20 10 FFCDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(O)c1O ZINC001193114453 1004377740 /nfs/dbraw/zinc/37/77/40/1004377740.db2.gz RADMAFMOUPNVGL-INIZCTEOSA-N 1 0 370.449 2.748 20 10 FFCDRO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775831403 1004528274 /nfs/dbraw/zinc/52/82/74/1004528274.db2.gz RRKPTKHZTRWBCK-HRAATJIYSA-N 1 0 367.493 2.720 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000775834829 1004561759 /nfs/dbraw/zinc/56/17/59/1004561759.db2.gz QTKONBRTGOUAEY-KRWDZBQOSA-N 1 0 366.509 2.582 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3sc(C)nc3C)CC2)cc1 ZINC001199792177 1005030078 /nfs/dbraw/zinc/03/00/78/1005030078.db2.gz HEOSUBYPZYMEAX-UHFFFAOYSA-N 1 0 360.527 2.680 20 10 FFCDRO CC(C)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000776251721 1005314283 /nfs/dbraw/zinc/31/42/83/1005314283.db2.gz WIMZZGIKDWDCLI-IBGZPJMESA-N 1 0 361.530 2.894 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000827061240 1016958619 /nfs/dbraw/zinc/95/86/19/1016958619.db2.gz OFLPEBNVUXTPRN-MRXNPFEDSA-N 1 0 362.470 2.823 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C)n3C)cc2F)CC1 ZINC000106829789 1005363265 /nfs/dbraw/zinc/36/32/65/1005363265.db2.gz YHXLGJQTBUASPK-UHFFFAOYSA-N 1 0 358.461 2.545 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000107330045 1005416719 /nfs/dbraw/zinc/41/67/19/1005416719.db2.gz RFLBQPYOLXZSAW-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2F)C[C@@H](C)O1 ZINC000850034798 1005780151 /nfs/dbraw/zinc/78/01/51/1005780151.db2.gz PRWMFKAXOGMWAD-HUUCEWRRSA-N 1 0 358.461 2.872 20 10 FFCDRO COc1cc(C[NH2+]CCC(=O)NCc2cccnc2)c(O)c(C(C)(C)C)c1 ZINC000850088259 1005783875 /nfs/dbraw/zinc/78/38/75/1005783875.db2.gz MUMAVRSEAXLKPK-UHFFFAOYSA-N 1 0 371.481 2.889 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc4c(c3)c(C)nn4C)C2)cc1 ZINC000850345553 1005809015 /nfs/dbraw/zinc/80/90/15/1005809015.db2.gz DRGWWAQVWQLVIJ-INIZCTEOSA-N 1 0 351.454 2.654 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnn(CC(F)(F)F)c3)cc2)CC1 ZINC000850405773 1005813703 /nfs/dbraw/zinc/81/37/03/1005813703.db2.gz CYVLEPIKYWHMEN-UHFFFAOYSA-N 1 0 368.403 2.696 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCCn4nccc43)CC2)cc1 ZINC000850421976 1005814676 /nfs/dbraw/zinc/81/46/76/1005814676.db2.gz BCJLYINABCXWCS-HXUWFJFHSA-N 1 0 369.513 2.529 20 10 FFCDRO COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000850482785 1005817920 /nfs/dbraw/zinc/81/79/20/1005817920.db2.gz RFPIMJIBIHOMDS-SJLPKXTDSA-N 1 0 359.466 2.980 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)c1ccccc1O ZINC000851898431 1005921121 /nfs/dbraw/zinc/92/11/21/1005921121.db2.gz WAZDYHYZYNHROG-ZBFHGGJFSA-N 1 0 362.470 2.766 20 10 FFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852346824 1005988241 /nfs/dbraw/zinc/98/82/41/1005988241.db2.gz PJXKKFITBHIKAP-IAGOWNOFSA-N 1 0 362.518 2.694 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C[NH+]3CCC(C)CC3)C2)cc1 ZINC000852450510 1006031444 /nfs/dbraw/zinc/03/14/44/1006031444.db2.gz OBALIYXSIOBWIS-QZTJIDSGSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC3CC(C)(C)C3)CC2)cc1 ZINC000852699312 1006145621 /nfs/dbraw/zinc/14/56/21/1006145621.db2.gz IGRGMZUXLZPKJJ-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc3c2OC(F)(F)O3)cc1 ZINC000852791984 1006186237 /nfs/dbraw/zinc/18/62/37/1006186237.db2.gz ONEBGXVWHOUCHO-AWEZNQCLSA-N 1 0 363.364 2.504 20 10 FFCDRO Cc1nc(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(C)o1 ZINC000814319336 1006241197 /nfs/dbraw/zinc/24/11/97/1006241197.db2.gz YKPSPEQJVNSDME-UHFFFAOYSA-N 1 0 368.481 2.753 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1cc(F)ccc1F ZINC000853121815 1006305336 /nfs/dbraw/zinc/30/53/36/1006305336.db2.gz ITSPMAYQBOPACV-FQEVSTJZSA-N 1 0 362.420 2.749 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1cccc(Cl)c1 ZINC000853121785 1006305543 /nfs/dbraw/zinc/30/55/43/1006305543.db2.gz IAAPDMDXVSYDIL-NRFANRHFSA-N 1 0 374.912 2.994 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc3c(cn2)OCCC3)[NH+](C)C)cc1 ZINC001134881746 1006516260 /nfs/dbraw/zinc/51/62/60/1006516260.db2.gz GIHHRWROPXEUSA-IBGZPJMESA-N 1 0 368.481 2.505 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853749482 1006525397 /nfs/dbraw/zinc/52/53/97/1006525397.db2.gz UBXHTOMRSWLZNU-SFHVURJKSA-N 1 0 358.530 2.982 20 10 FFCDRO O=c1oc2ccc(C[NH2+]Cc3ccc(N4CCC(CO)CC4)cc3)cc2o1 ZINC000882917969 1006561920 /nfs/dbraw/zinc/56/19/20/1006561920.db2.gz ZHYRHQYXBZGILG-UHFFFAOYSA-N 1 0 368.433 2.885 20 10 FFCDRO CN(C)C(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775180630 1006635800 /nfs/dbraw/zinc/63/58/00/1006635800.db2.gz ITDWTFNJPJHIRO-UHFFFAOYSA-N 1 0 352.482 2.752 20 10 FFCDRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000775258660 1007127454 /nfs/dbraw/zinc/12/74/54/1007127454.db2.gz ILDCCZWNSVIBHV-INIZCTEOSA-N 1 0 369.465 2.821 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)c3sccc3C[NH+](C)C)C2)cc1 ZINC000855233961 1007202419 /nfs/dbraw/zinc/20/24/19/1007202419.db2.gz PXCDCYBHISDXQY-OAHLLOKOSA-N 1 0 359.495 2.827 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3csnn3)C2)cc1C ZINC001086768434 1007320645 /nfs/dbraw/zinc/32/06/45/1007320645.db2.gz HJYLDEPDIGKZJV-LSDHHAIUSA-N 1 0 360.483 2.543 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1 ZINC000113346296 1007342358 /nfs/dbraw/zinc/34/23/58/1007342358.db2.gz DZNFMWTVESNGQQ-UHFFFAOYSA-N 1 0 357.429 2.781 20 10 FFCDRO C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000817156255 1007442861 /nfs/dbraw/zinc/44/28/61/1007442861.db2.gz JHABNEJUDLNUNH-IVMQYODDSA-N 1 0 374.529 2.756 20 10 FFCDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895336 1007802298 /nfs/dbraw/zinc/80/22/98/1007802298.db2.gz SZYOHPSGCZFUMB-HRAATJIYSA-N 1 0 371.500 2.835 20 10 FFCDRO Cc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000856428358 1007822034 /nfs/dbraw/zinc/82/20/34/1007822034.db2.gz UWGHXLZTXDRDQS-SFHVURJKSA-N 1 0 370.497 2.672 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4c(c3)c(C)nn4C)C2)cc1 ZINC000818222203 1007888076 /nfs/dbraw/zinc/88/80/76/1007888076.db2.gz VJSJQWVDDHUYDD-INIZCTEOSA-N 1 0 365.481 2.901 20 10 FFCDRO CCOc1cncc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000856790585 1007975867 /nfs/dbraw/zinc/97/58/67/1007975867.db2.gz GBGXQCZMWWPZFA-UHFFFAOYSA-N 1 0 363.408 2.885 20 10 FFCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818966818 1007981573 /nfs/dbraw/zinc/98/15/73/1007981573.db2.gz OMWLGFBQLWATMK-SOLBZPMBSA-N 1 0 368.493 2.705 20 10 FFCDRO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000818953919 1007990538 /nfs/dbraw/zinc/99/05/38/1007990538.db2.gz OUVWBYIKKADSGH-HXUWFJFHSA-N 1 0 374.506 2.514 20 10 FFCDRO COc1ccccc1COC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954146 1007993597 /nfs/dbraw/zinc/99/35/97/1007993597.db2.gz QWSMDDNTNVMVHR-OAQYLSRUSA-N 1 0 370.493 2.963 20 10 FFCDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)COCc3ccccc3F)ccc21 ZINC000818985355 1008000441 /nfs/dbraw/zinc/00/04/41/1008000441.db2.gz RVZPDOWDOLQIOG-LJQANCHMSA-N 1 0 358.457 2.875 20 10 FFCDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000818985245 1008001426 /nfs/dbraw/zinc/00/14/26/1008001426.db2.gz PKUMJBMEHZJARG-HXUWFJFHSA-N 1 0 368.477 2.801 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114832331 1008047837 /nfs/dbraw/zinc/04/78/37/1008047837.db2.gz FHDPHQGSMRHCBS-SFHVURJKSA-N 1 0 369.465 2.865 20 10 FFCDRO C[NH+](C)[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccc(F)cc1 ZINC000819165379 1008054088 /nfs/dbraw/zinc/05/40/88/1008054088.db2.gz VICJNVGBPNXQCN-KRWDZBQOSA-N 1 0 371.412 2.598 20 10 FFCDRO CC[N@H+](C)Cc1cccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819165241 1008054701 /nfs/dbraw/zinc/05/47/01/1008054701.db2.gz RCWLQNLUFITTLH-UHFFFAOYSA-N 1 0 367.449 2.808 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3)CC2)cc1 ZINC000011853460 1008180938 /nfs/dbraw/zinc/18/09/38/1008180938.db2.gz SUPFTCGQXMHDRF-UHFFFAOYSA-N 1 0 353.466 2.637 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000819582881 1008183171 /nfs/dbraw/zinc/18/31/71/1008183171.db2.gz RAGAOOGLHKFNAK-MSOLQXFVSA-N 1 0 359.514 2.902 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000819584595 1008183930 /nfs/dbraw/zinc/18/39/30/1008183930.db2.gz MTXRQFWSFWGWDQ-KRWDZBQOSA-N 1 0 359.514 2.758 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)C1 ZINC000858104615 1008302896 /nfs/dbraw/zinc/30/28/96/1008302896.db2.gz RDMWBSDMHBFLIE-KRWDZBQOSA-N 1 0 363.465 2.554 20 10 FFCDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858159829 1008314128 /nfs/dbraw/zinc/31/41/28/1008314128.db2.gz HOMWQZLXMJFDHM-QZTJIDSGSA-N 1 0 374.529 2.615 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(C)ccc2O)[C@@H](C)C1 ZINC000858226920 1008328597 /nfs/dbraw/zinc/32/85/97/1008328597.db2.gz QROZXAMLRZUKQB-WMZOPIPTSA-N 1 0 363.502 2.637 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000821125858 1008417561 /nfs/dbraw/zinc/41/75/61/1008417561.db2.gz UGHWMLDWEXWNNH-RHSMWYFYSA-N 1 0 355.442 2.938 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000821250678 1008433589 /nfs/dbraw/zinc/43/35/89/1008433589.db2.gz COUCSHANHGQPAB-UHFFFAOYSA-N 1 0 368.481 2.841 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)C2)cc1 ZINC000822494945 1008651423 /nfs/dbraw/zinc/65/14/23/1008651423.db2.gz ZLDAPYJPBRNRMK-INIZCTEOSA-N 1 0 367.449 2.642 20 10 FFCDRO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(I)cc2O)C1 ZINC001206564913 1032344551 /nfs/dbraw/zinc/34/45/51/1032344551.db2.gz RHGXKMYPYCYULI-HNNXBMFYSA-N 1 0 374.266 2.948 20 10 FFCDRO COC(=O)c1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000886639767 1008788594 /nfs/dbraw/zinc/78/85/94/1008788594.db2.gz LIUVMRXBEBFSOA-HNNXBMFYSA-N 1 0 369.465 2.680 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCCOC1 ZINC000886916070 1008935014 /nfs/dbraw/zinc/93/50/14/1008935014.db2.gz NWFUUIKOVKXDEF-RXVVDRJESA-N 1 0 362.514 2.833 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000860612926 1009082282 /nfs/dbraw/zinc/08/22/82/1009082282.db2.gz NILWOLWEVANSML-UHFFFAOYSA-N 1 0 365.477 2.827 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NC3CCC([NH+](C)C)CC3)C2)cc1 ZINC000823700896 1009178130 /nfs/dbraw/zinc/17/81/30/1009178130.db2.gz UTXXHTADZIIYCX-AOCRQIFASA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](c4nccn4C)C3)CC2)cc1 ZINC001178931985 1009179157 /nfs/dbraw/zinc/17/91/57/1009179157.db2.gz URFSPKXTROYJMO-YLJYHZDGSA-N 1 0 370.497 2.907 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C[C@H]1C ZINC000823726415 1009205699 /nfs/dbraw/zinc/20/56/99/1009205699.db2.gz TVQYWSHVKSSINY-SQNIBIBYSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CC3([NH+](C)C)CCC3)C2)cc1 ZINC000823725864 1009206481 /nfs/dbraw/zinc/20/64/81/1009206481.db2.gz JNCZSFOZDNQXLL-KRWDZBQOSA-N 1 0 374.529 2.647 20 10 FFCDRO Cc1cc(Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)ccc1N1CCCCC1 ZINC000887448825 1009235986 /nfs/dbraw/zinc/23/59/86/1009235986.db2.gz HBFYNNKGMHEDQI-LJQANCHMSA-N 1 0 368.529 2.548 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4nc(C5CC5)ncc4C3)cc2)CC1 ZINC000862507291 1009859365 /nfs/dbraw/zinc/85/93/65/1009859365.db2.gz YODXTORVMFRFRA-UHFFFAOYSA-N 1 0 363.509 2.664 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)c1O ZINC000862539605 1009872983 /nfs/dbraw/zinc/87/29/83/1009872983.db2.gz ZZEKWRHNJUQREA-TUUVXOQKSA-N 1 0 368.399 2.932 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(CCF)CC3)cc2)CC1 ZINC000889659322 1010044944 /nfs/dbraw/zinc/04/49/44/1010044944.db2.gz VFCJHTRQORUQFO-UHFFFAOYSA-N 1 0 362.493 2.720 20 10 FFCDRO CCN(Cc1ccccn1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666733 1010047381 /nfs/dbraw/zinc/04/73/81/1010047381.db2.gz POYWJTREOBRXDV-UHFFFAOYSA-N 1 0 367.497 2.565 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1F ZINC000119519640 1010243947 /nfs/dbraw/zinc/24/39/47/1010243947.db2.gz ICAQUJHEMIDRSP-UHFFFAOYSA-N 1 0 362.537 2.885 20 10 FFCDRO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N)cc1 ZINC000863558600 1010255736 /nfs/dbraw/zinc/25/57/36/1010255736.db2.gz OQQAVARGLUBJFY-UHFFFAOYSA-N 1 0 352.482 2.617 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001202510278 1010320091 /nfs/dbraw/zinc/32/00/91/1010320091.db2.gz TXSOKYRKIWAQLR-KRWDZBQOSA-N 1 0 352.482 2.999 20 10 FFCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cncnc1 ZINC000863897504 1010350480 /nfs/dbraw/zinc/35/04/80/1010350480.db2.gz LBNJZKFLXKMYAK-GUYCJALGSA-N 1 0 374.872 2.720 20 10 FFCDRO C[NH+](C)C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC000119774958 1010374028 /nfs/dbraw/zinc/37/40/28/1010374028.db2.gz XQTCBIYQBUVLJE-UHFFFAOYSA-N 1 0 367.440 2.857 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@H]3CCOC3)C[C@H]2C)cc1C ZINC001093685243 1010447600 /nfs/dbraw/zinc/44/76/00/1010447600.db2.gz APPVFOOZIRYPTP-BHIYHBOVSA-N 1 0 360.498 2.614 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000794657488 1010460044 /nfs/dbraw/zinc/46/00/44/1010460044.db2.gz GMKVOJPGMOTTGX-QKKBWIMNSA-N 1 0 371.433 2.712 20 10 FFCDRO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865806181 1010867513 /nfs/dbraw/zinc/86/75/13/1010867513.db2.gz HKGVRVXKHCLPDJ-OAQYLSRUSA-N 1 0 355.457 2.939 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1F ZINC000865815510 1010868488 /nfs/dbraw/zinc/86/84/88/1010868488.db2.gz BQENSRTWNLXYMR-UHFFFAOYSA-N 1 0 356.445 2.707 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 ZINC000690590970 1011440766 /nfs/dbraw/zinc/44/07/66/1011440766.db2.gz MJZJEIKIVLWVNN-MRXNPFEDSA-N 1 0 362.470 2.959 20 10 FFCDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)CC2 ZINC001172895376 1012096075 /nfs/dbraw/zinc/09/60/75/1012096075.db2.gz CCKQCOOROGOXME-HNAYVOBHSA-N 1 0 358.394 2.577 20 10 FFCDRO O=C1N(CCn2ccnc2)CC[C@]12CCC[N@H+]2Cc1cc(Cl)ccc1O ZINC001275254486 1012146641 /nfs/dbraw/zinc/14/66/41/1012146641.db2.gz QMAVOBQSCASAHK-LJQANCHMSA-N 1 0 374.872 2.509 20 10 FFCDRO CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001275253580 1012152481 /nfs/dbraw/zinc/15/24/81/1012152481.db2.gz CWXYDXOQTYEEFA-HXUWFJFHSA-N 1 0 360.454 2.542 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(=O)C(C)(C)C)C3=O)C2)c(O)c1 ZINC001275385859 1012403464 /nfs/dbraw/zinc/40/34/64/1012403464.db2.gz MQYPIDFHOGJKQH-OAQYLSRUSA-N 1 0 358.482 2.740 20 10 FFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275599321 1012673778 /nfs/dbraw/zinc/67/37/78/1012673778.db2.gz ZZABGMLSOWHJMY-RTBURBONSA-N 1 0 359.514 2.743 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)CN(C2CCCC2)C(=O)CO3)c1O ZINC001275771496 1012989472 /nfs/dbraw/zinc/98/94/72/1012989472.db2.gz PAIYRDRWLJESQQ-OAQYLSRUSA-N 1 0 358.482 2.755 20 10 FFCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359569 1032678150 /nfs/dbraw/zinc/67/81/50/1032678150.db2.gz YJHRIBLHOLFAQU-IAGOWNOFSA-N 1 0 367.440 2.761 20 10 FFCDRO CCC[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001051813888 1017305765 /nfs/dbraw/zinc/30/57/65/1017305765.db2.gz WUNRFNGVHAHGSG-CEXWTWQISA-N 1 0 360.498 2.757 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000925900963 1017888872 /nfs/dbraw/zinc/88/88/72/1017888872.db2.gz VDMFIHANZFBLDJ-KDOFPFPSSA-N 1 0 372.469 2.849 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000827655294 1018592115 /nfs/dbraw/zinc/59/21/15/1018592115.db2.gz SBYNAAQBCQMAKT-KRWDZBQOSA-N 1 0 359.514 2.779 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927648851 1018599053 /nfs/dbraw/zinc/59/90/53/1018599053.db2.gz RKRJDDVLYAEIAF-GOSISDBHSA-N 1 0 361.486 2.567 20 10 FFCDRO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000827726128 1018630859 /nfs/dbraw/zinc/63/08/59/1018630859.db2.gz RSLDBHRDEDKESW-QRWLVFNGSA-N 1 0 371.456 2.582 20 10 FFCDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000827751142 1018638831 /nfs/dbraw/zinc/63/88/31/1018638831.db2.gz SKSOKYNWGVXUGA-QUCCMNQESA-N 1 0 364.461 2.874 20 10 FFCDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000827751144 1018638959 /nfs/dbraw/zinc/63/89/59/1018638959.db2.gz SKSOKYNWGVXUGA-UYAOXDASSA-N 1 0 364.461 2.874 20 10 FFCDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217742558 1032856670 /nfs/dbraw/zinc/85/66/70/1032856670.db2.gz HMFOEFYNMRCXPV-BBRMVZONSA-N 1 0 353.426 2.688 20 10 FFCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@H](c3cccs3)C2=O)[NH+](C)C)cc1 ZINC000900185002 1020248926 /nfs/dbraw/zinc/24/89/26/1020248926.db2.gz IQSTWEVEQNADPS-NVXWUHKLSA-N 1 0 372.494 2.710 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 ZINC000802658299 1020299323 /nfs/dbraw/zinc/29/93/23/1020299323.db2.gz SLTGWVZTDKSPOP-SFHVURJKSA-N 1 0 354.450 2.724 20 10 FFCDRO COCCC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000777998052 1020476232 /nfs/dbraw/zinc/47/62/32/1020476232.db2.gz OBGVWHBLHMUUSD-GOSISDBHSA-N 1 0 373.541 2.898 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC3([NH+](C)C)CCCC3)CC2)cc1 ZINC000726702137 1020508395 /nfs/dbraw/zinc/50/83/95/1020508395.db2.gz FISRUCCNKVNWRI-UHFFFAOYSA-N 1 0 374.529 2.838 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)CC2)cc1 ZINC000726698801 1020509044 /nfs/dbraw/zinc/50/90/44/1020509044.db2.gz GDTWWWMBJPGDAW-KRWDZBQOSA-N 1 0 374.529 2.694 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000726706188 1020509651 /nfs/dbraw/zinc/50/96/51/1020509651.db2.gz CPDZHNQSXWHLGH-WOJBJXKFSA-N 1 0 372.513 2.590 20 10 FFCDRO O=C1c2cccc(O[C@H]3CCC[NH2+]C[C@H]3F)c2C(=O)c2cccc(O)c21 ZINC001217951443 1032916481 /nfs/dbraw/zinc/91/64/81/1032916481.db2.gz RQYZUKHCXDENIQ-HIFRSBDPSA-N 1 0 355.365 2.637 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](c4noc(C)n4)C3)cc2)CC1 ZINC000931934513 1020636290 /nfs/dbraw/zinc/63/62/90/1020636290.db2.gz FPVZIWIEQCFHBX-QGZVFWFLSA-N 1 0 356.470 2.983 20 10 FFCDRO C[NH2+][C@H]1C[C@H](Oc2c(C)cc3c(c2OC)C(=O)c2c(O)cccc2C3=O)C1 ZINC001217954721 1032918554 /nfs/dbraw/zinc/91/85/54/1032918554.db2.gz IYPKZZOGALEZHH-HAQNSBGRSA-N 1 0 367.401 2.614 20 10 FFCDRO Cc1cc(O[C@H]2C[NH2+]CC[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217960509 1032920614 /nfs/dbraw/zinc/92/06/14/1032920614.db2.gz PYLCEUJFFTYPKF-BBRMVZONSA-N 1 0 355.365 2.555 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(F)ccc1O ZINC000800993761 1020690778 /nfs/dbraw/zinc/69/07/78/1020690778.db2.gz NBQUVXGRNLGEBK-ZBFHGGJFSA-N 1 0 358.413 2.862 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCOC34CCCC4)cc2)CC1 ZINC000903219523 1020749922 /nfs/dbraw/zinc/74/99/22/1020749922.db2.gz HNKONZMORKAZIA-LJQANCHMSA-N 1 0 357.498 2.580 20 10 FFCDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000829003021 1032939819 /nfs/dbraw/zinc/93/98/19/1032939819.db2.gz HCCOFLFBDBHVFD-RTBURBONSA-N 1 0 354.450 2.990 20 10 FFCDRO COC(=O)C1=C(C)O[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000778219530 1021135921 /nfs/dbraw/zinc/13/59/21/1021135921.db2.gz HLMYHSUYMAQFBY-DLBZAZTESA-N 1 0 361.438 2.609 20 10 FFCDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)no1 ZINC001116441203 1021217561 /nfs/dbraw/zinc/21/75/61/1021217561.db2.gz OCOTWMBTTDZYMY-UHFFFAOYSA-N 1 0 369.465 2.962 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218030657 1032962601 /nfs/dbraw/zinc/96/26/01/1032962601.db2.gz TTZZHUXAOWKDDB-LRDDRELGSA-N 1 0 351.402 2.935 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)cc2F)CC1 ZINC001116695306 1021359304 /nfs/dbraw/zinc/35/93/04/1021359304.db2.gz BGSAXMYTQXHSAV-IBGZPJMESA-N 1 0 361.505 2.969 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[C@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218113973 1033004527 /nfs/dbraw/zinc/00/45/27/1033004527.db2.gz AOVOWOUZNBMALL-HTAPYJJXSA-N 1 0 363.413 2.997 20 10 FFCDRO CCOC(=O)[C@@H](C)[C@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218197553 1033044265 /nfs/dbraw/zinc/04/42/65/1033044265.db2.gz QVPAHLMWGNZJSC-WFASDCNBSA-N 1 0 360.376 2.605 20 10 FFCDRO O=C(OCc1ccccc1)C1CC(Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218230572 1033058583 /nfs/dbraw/zinc/05/85/83/1033058583.db2.gz KDRQCDZVRIJBCM-UHFFFAOYSA-N 1 0 366.461 2.997 20 10 FFCDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000159956031 1022854219 /nfs/dbraw/zinc/85/42/19/1022854219.db2.gz MWZCLYJVXNVVQD-CABCVRRESA-N 1 0 364.486 2.926 20 10 FFCDRO CC(C)=CCN1CCC2(CC[NH+](Cc3cc(O)c(O)cc3O)CC2)C1=O ZINC001276780496 1033091773 /nfs/dbraw/zinc/09/17/73/1033091773.db2.gz OGUNBCQRCUSTNE-UHFFFAOYSA-N 1 0 360.454 2.584 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)COc2c(C)cccc2C)c(O)c1OC ZINC001119940756 1023172934 /nfs/dbraw/zinc/17/29/34/1023172934.db2.gz LSVCKSAAQQYJHY-MRXNPFEDSA-N 1 0 361.438 2.556 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(O)c1OC ZINC001119954085 1023179135 /nfs/dbraw/zinc/17/91/35/1023179135.db2.gz VPCDAHNLRJXJGV-INIZCTEOSA-N 1 0 370.449 2.548 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@@H](C)[C@H](C)C3)CC2)cc1 ZINC000752830403 1023211282 /nfs/dbraw/zinc/21/12/82/1023211282.db2.gz DOJXLRPIPQEANN-QZTJIDSGSA-N 1 0 374.529 2.505 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000076549301 1023321015 /nfs/dbraw/zinc/32/10/15/1023321015.db2.gz DRQFYAZLEMYGBD-LJQANCHMSA-N 1 0 362.420 2.967 20 10 FFCDRO O=C1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000753531706 1023347130 /nfs/dbraw/zinc/34/71/30/1023347130.db2.gz RHFWKUADSKMUNC-SFHVURJKSA-N 1 0 352.434 2.778 20 10 FFCDRO CCN(C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000779222539 1023382459 /nfs/dbraw/zinc/38/24/59/1023382459.db2.gz QJSKNUVOZNXMKU-NRFANRHFSA-N 1 0 369.509 2.705 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1F ZINC000754037945 1023417648 /nfs/dbraw/zinc/41/76/48/1023417648.db2.gz HQYDCBWWIIMSCQ-OWCLPIDISA-N 1 0 363.477 2.744 20 10 FFCDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000754359289 1023460140 /nfs/dbraw/zinc/46/01/40/1023460140.db2.gz SPGLYSYZIPFTCQ-UHFFFAOYSA-N 1 0 360.413 2.933 20 10 FFCDRO COc1cc(C[NH+]2CCN(Cc3cnn(C)c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000754726755 1023509147 /nfs/dbraw/zinc/50/91/47/1023509147.db2.gz NGWBGZIAPYDLPJ-UHFFFAOYSA-N 1 0 372.513 2.750 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1(C(=O)OC)CCC1 ZINC000779339863 1023697638 /nfs/dbraw/zinc/69/76/38/1023697638.db2.gz GDLSOIOFLQSRKY-SFHVURJKSA-N 1 0 364.461 2.874 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000756588229 1023732124 /nfs/dbraw/zinc/73/21/24/1023732124.db2.gz GPBUNSNNLXMIGZ-ROUUACIJSA-N 1 0 354.498 2.957 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC=C(C)CC3)CC2)cc1 ZINC000756656688 1023741906 /nfs/dbraw/zinc/74/19/06/1023741906.db2.gz HRYOHELIKZCVKV-UHFFFAOYSA-N 1 0 372.513 2.569 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3cc(C)ccc3O)C2)nc1 ZINC000757652489 1023843352 /nfs/dbraw/zinc/84/33/52/1023843352.db2.gz AJYHKEZATKGRAS-CQSZACIVSA-N 1 0 355.438 2.812 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)COc1ccc(CCC[NH3+])cc1 ZINC001121923630 1024174551 /nfs/dbraw/zinc/17/45/51/1024174551.db2.gz PGSZSVHGAXPLBG-UHFFFAOYSA-N 1 0 355.482 2.648 20 10 FFCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000758849366 1024339619 /nfs/dbraw/zinc/33/96/19/1024339619.db2.gz VSLQHQOFEMKUEO-GOSISDBHSA-N 1 0 374.529 2.791 20 10 FFCDRO CCCC1(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000759172470 1024503767 /nfs/dbraw/zinc/50/37/67/1024503767.db2.gz UTVUZFDZPJQENA-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO Cc1cc(C[NH+]2CCN(c3ncc(O)cn3)CC2)c(C)n1-c1ccccc1 ZINC001137859386 1033229396 /nfs/dbraw/zinc/22/93/96/1033229396.db2.gz WFIZSJPUIOPSEL-UHFFFAOYSA-N 1 0 363.465 2.912 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c(C)n1-c1ccccc1 ZINC001137859198 1033229889 /nfs/dbraw/zinc/22/98/89/1033229889.db2.gz NLMFQZIUEOFASU-UHFFFAOYSA-N 1 0 353.466 2.575 20 10 FFCDRO Cc1cc(C(=O)NCC[NH+]2CCC(O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000837020107 1025509934 /nfs/dbraw/zinc/50/99/34/1025509934.db2.gz BKXJFDVTXZXILC-UHFFFAOYSA-N 1 0 369.509 2.897 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC001141142569 1025512083 /nfs/dbraw/zinc/51/20/83/1025512083.db2.gz RZSQLXJCIBBUNJ-UHFFFAOYSA-N 1 0 361.486 2.958 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)ccc21 ZINC001141142804 1025513125 /nfs/dbraw/zinc/51/31/25/1025513125.db2.gz BNKHFPWCVLOGTG-RXVVDRJESA-N 1 0 358.482 2.675 20 10 FFCDRO CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001141143310 1025517119 /nfs/dbraw/zinc/51/71/19/1025517119.db2.gz ULXNKBZFDXTSSX-JOCHJYFZSA-N 1 0 363.461 2.635 20 10 FFCDRO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000837369060 1025750476 /nfs/dbraw/zinc/75/04/76/1025750476.db2.gz QMQWTYNUJQTQQO-KRWDZBQOSA-N 1 0 371.525 2.965 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000839518392 1026711117 /nfs/dbraw/zinc/71/11/17/1026711117.db2.gz ZCLYYBIVABUDJU-UHFFFAOYSA-N 1 0 367.493 2.664 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000840480353 1027087990 /nfs/dbraw/zinc/08/79/90/1027087990.db2.gz VVXUKKHTLXTNER-HQRMLTQVSA-N 1 0 358.530 2.870 20 10 FFCDRO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758624 1027239686 /nfs/dbraw/zinc/23/96/86/1027239686.db2.gz POBIEWMSOKVTGA-GOSISDBHSA-N 1 0 364.440 2.812 20 10 FFCDRO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000092784408 1027451272 /nfs/dbraw/zinc/45/12/72/1027451272.db2.gz BYHRIAAZFPQCOI-KRWDZBQOSA-N 1 0 368.433 2.905 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H](O)COCc1ccco1)C[C@H]1CCCO1 ZINC000249521253 1028171632 /nfs/dbraw/zinc/17/16/32/1028171632.db2.gz NEAGYEHQBBZIKU-QZTJIDSGSA-N 1 0 361.438 2.544 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1=CC[N@H+](C)CC1 ZINC000781362545 1029166434 /nfs/dbraw/zinc/16/64/34/1029166434.db2.gz YOAQCXNQPJHPAQ-INIZCTEOSA-N 1 0 374.554 2.689 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)cc1 ZINC000781372100 1029173984 /nfs/dbraw/zinc/17/39/84/1029173984.db2.gz SFUKKHPNJRWPQE-MRXNPFEDSA-N 1 0 372.513 2.614 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccn4ccnc34)CC2)cc1 ZINC001164329621 1029246996 /nfs/dbraw/zinc/24/69/96/1029246996.db2.gz CQXYWRGGHLNPJV-UHFFFAOYSA-N 1 0 365.481 2.967 20 10 FFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1C ZINC001158372619 1029813632 /nfs/dbraw/zinc/81/36/32/1029813632.db2.gz OKDGVUAPVBHHTE-RBUKOAKNSA-N 1 0 353.466 2.798 20 10 FFCDRO C[NH+]1CCN(c2ccc([C@H]3Nc4cc(F)c(F)cc4C(=O)N3)cc2)CC1 ZINC000840832608 1029890544 /nfs/dbraw/zinc/89/05/44/1029890544.db2.gz XTIQXHFCUDOPQS-SFHVURJKSA-N 1 0 358.392 2.571 20 10 FFCDRO COc1cc(O)c(CN(CC[NH3+])c2ccc3ccccc3n2)cc1OC ZINC000840958728 1029943606 /nfs/dbraw/zinc/94/36/06/1029943606.db2.gz RMQVCIOIGPMPFZ-UHFFFAOYSA-N 1 0 353.422 2.923 20 10 FFCDRO O=C(CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)N1CC[NH2+]CC1 ZINC000841004318 1029969360 /nfs/dbraw/zinc/96/93/60/1029969360.db2.gz FUMGEAUXZRKLQS-UHFFFAOYSA-N 1 0 366.425 2.655 20 10 FFCDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841013877 1029975936 /nfs/dbraw/zinc/97/59/36/1029975936.db2.gz YIZHGUASOXZMDF-UHFFFAOYSA-N 1 0 374.510 2.639 20 10 FFCDRO COc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000841044892 1029998747 /nfs/dbraw/zinc/99/87/47/1029998747.db2.gz ZQBWRYDKTLFXIT-QGZVFWFLSA-N 1 0 359.470 2.568 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC(C)(C)O3)cc2F)CC1 ZINC000783321662 1030030472 /nfs/dbraw/zinc/03/04/72/1030030472.db2.gz IPSQAYBSGQEDGS-GOSISDBHSA-N 1 0 363.477 2.541 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000841654264 1030384936 /nfs/dbraw/zinc/38/49/36/1030384936.db2.gz MTMZOEZFRVPIFQ-MRXNPFEDSA-N 1 0 372.517 2.572 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000841719897 1030427493 /nfs/dbraw/zinc/42/74/93/1030427493.db2.gz QGGQKFIEIBIDNU-UHFFFAOYSA-N 1 0 362.518 2.572 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)cc1O ZINC000841746760 1030444230 /nfs/dbraw/zinc/44/42/30/1030444230.db2.gz LDBQUEHLYWFTBI-JEOXALJRSA-N 1 0 373.840 2.951 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC4(CC[NH2+]CC4)CC3)ccc21 ZINC000841761011 1030449597 /nfs/dbraw/zinc/44/95/97/1030449597.db2.gz ZXFADZZCQAYPHK-UHFFFAOYSA-N 1 0 356.514 2.744 20 10 FFCDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142517401 1030565562 /nfs/dbraw/zinc/56/55/62/1030565562.db2.gz MBKCRLYPMKSNSC-UZLBHIALSA-N 1 0 366.452 2.851 20 10 FFCDRO COC[C@]1(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000841992933 1030570265 /nfs/dbraw/zinc/57/02/65/1030570265.db2.gz CHOBZDFTVVGBTM-OAQYLSRUSA-N 1 0 374.529 2.587 20 10 FFCDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000784625921 1030726747 /nfs/dbraw/zinc/72/67/47/1030726747.db2.gz PWUMORNJBPJYCO-KRWDZBQOSA-N 1 0 362.445 2.993 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(Cc1ccccn1)C2 ZINC001203552177 1030758643 /nfs/dbraw/zinc/75/86/43/1030758643.db2.gz DBEOBJXWFXKUFW-QFIPXVFZSA-N 1 0 367.493 2.902 20 10 FFCDRO O=C1COC2(CC[NH+](Cc3ccccc3O)CC2)CN1Cc1ccccc1 ZINC001203551914 1030759501 /nfs/dbraw/zinc/75/95/01/1030759501.db2.gz SKDDZABTRKBBIQ-UHFFFAOYSA-N 1 0 366.461 2.786 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)c1O ZINC001203592101 1030775450 /nfs/dbraw/zinc/77/54/50/1030775450.db2.gz CUISSCBCAYPIQW-PKOBYXMFSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1cccc(C[NH+]2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1O ZINC001203595818 1030777341 /nfs/dbraw/zinc/77/73/41/1030777341.db2.gz OZSASTKBBDUAKU-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)c1O ZINC001203594407 1030778852 /nfs/dbraw/zinc/77/88/52/1030778852.db2.gz YJHRWVVLAOMHGH-GOEBONIOSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)c1O ZINC001203593240 1030779389 /nfs/dbraw/zinc/77/93/89/1030779389.db2.gz LICDVPBAKVPPOI-OALUTQOASA-N 1 0 366.461 2.800 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001203622880 1030792437 /nfs/dbraw/zinc/79/24/37/1030792437.db2.gz DLQHGDUTZDCSJJ-GHTZIAJQSA-N 1 0 352.434 2.507 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001203623652 1030793310 /nfs/dbraw/zinc/79/33/10/1030793310.db2.gz VUJFNLSGYPWYDE-PBHICJAKSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)c(O)c1 ZINC001203627796 1030796197 /nfs/dbraw/zinc/79/61/97/1030796197.db2.gz PQPISQJNRKQSFE-UHFFFAOYSA-N 1 0 367.449 2.891 20 10 FFCDRO COc1ccc(C[NH+]2CCN(C[C@@H](OC)c3ccccc3)CC2)c(O)c1 ZINC001203634695 1030798211 /nfs/dbraw/zinc/79/82/11/1030798211.db2.gz RGPWVLABLOIBCX-OAQYLSRUSA-N 1 0 356.466 2.906 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC001203634719 1030799349 /nfs/dbraw/zinc/79/93/49/1030799349.db2.gz SCDVTCGGGSENBK-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO CN(C)C(=O)CN1CCC2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)CC1 ZINC001203657097 1030808763 /nfs/dbraw/zinc/80/87/63/1030808763.db2.gz DQJNAKRGHBEHGA-UHFFFAOYSA-N 1 0 365.905 2.564 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC001203673077 1030817195 /nfs/dbraw/zinc/81/71/95/1030817195.db2.gz MDDLMXIBEWEQFQ-QUCCMNQESA-N 1 0 356.422 2.608 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)c1 ZINC001203675221 1030820066 /nfs/dbraw/zinc/82/00/66/1030820066.db2.gz PZOWKNGPLCNXMF-JXFKEZNVSA-N 1 0 374.412 2.747 20 10 FFCDRO Oc1ccc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)cc1O ZINC001203876890 1030950978 /nfs/dbraw/zinc/95/09/78/1030950978.db2.gz LIONHZXZLSNGLP-JTDSTZFVSA-N 1 0 356.422 2.551 20 10 FFCDRO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(O)c3)[C@H](C)C2)cc1 ZINC001203882425 1030954670 /nfs/dbraw/zinc/95/46/70/1030954670.db2.gz IQVPRADLSHYXBC-OAHLLOKOSA-N 1 0 370.449 2.591 20 10 FFCDRO Oc1ccc(C[N@@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)cc1O ZINC001203879115 1030956397 /nfs/dbraw/zinc/95/63/97/1030956397.db2.gz LVJSQSUORQHGHA-UHFFFAOYSA-N 1 0 368.359 2.619 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cccc3c2OCCO3)N(C)C)cc1 ZINC001203967872 1031019864 /nfs/dbraw/zinc/01/98/64/1031019864.db2.gz IXLQHZVAEGQSPC-LJQANCHMSA-N 1 0 355.482 2.916 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3ccc(O)cc3O)C[C@@H]2c2ccccc2)C1=O ZINC001204274096 1031200734 /nfs/dbraw/zinc/20/07/34/1031200734.db2.gz IHPHXGUOULQYKO-KNQAVFIVSA-N 1 0 366.461 2.936 20 10 FFCDRO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204274618 1031201096 /nfs/dbraw/zinc/20/10/96/1031201096.db2.gz QTDKXGMBXRVDEF-GOSISDBHSA-N 1 0 352.434 2.736 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274876 1031201679 /nfs/dbraw/zinc/20/16/79/1031201679.db2.gz VARANODSQRVPFL-OAQYLSRUSA-N 1 0 367.449 2.508 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204274178 1031202664 /nfs/dbraw/zinc/20/26/64/1031202664.db2.gz KTOMDZOANHVOFH-GOSISDBHSA-N 1 0 352.434 2.594 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]21 ZINC001204321865 1031226370 /nfs/dbraw/zinc/22/63/70/1031226370.db2.gz GQQTWGMXRJVWLQ-QHAWAJNXSA-N 1 0 371.525 2.602 20 10 FFCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339365 1031236218 /nfs/dbraw/zinc/23/62/18/1031236218.db2.gz GXKZEBXHTYYHPK-SNVBAGLBSA-N 1 0 358.232 2.548 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3Cc2cccc(C(C)(C)C)c2O)cn1 ZINC001143108693 1031239570 /nfs/dbraw/zinc/23/95/70/1031239570.db2.gz UZPGSMPXARAETB-QZTJIDSGSA-N 1 0 368.481 2.803 20 10 FFCDRO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350664 1031343127 /nfs/dbraw/zinc/34/31/27/1031343127.db2.gz SGUBSMZZSUQILY-OXQOHEQNSA-N 1 0 359.514 2.609 20 10 FFCDRO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c1C ZINC000843350847 1031343528 /nfs/dbraw/zinc/34/35/28/1031343528.db2.gz WXCQDERZLKVJLM-AWEZNQCLSA-N 1 0 369.465 2.901 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@]1(O)CCc2ccccc21 ZINC000843422477 1031396025 /nfs/dbraw/zinc/39/60/25/1031396025.db2.gz WDVGTWMWLURBJD-QFIPXVFZSA-N 1 0 370.468 2.928 20 10 FFCDRO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(C)n1-c1cc(C)cc(C)c1 ZINC001149204483 1031457686 /nfs/dbraw/zinc/45/76/86/1031457686.db2.gz HJZPCZIYSISELV-UHFFFAOYSA-N 1 0 357.498 2.707 20 10 FFCDRO Cc1ccncc1N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000798962610 1031595949 /nfs/dbraw/zinc/59/59/49/1031595949.db2.gz WZYXBUMNVVXHJZ-UHFFFAOYSA-N 1 0 352.482 2.549 20 10 FFCDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1(CO)CC=CC1 ZINC000830531201 1033659395 /nfs/dbraw/zinc/65/93/95/1033659395.db2.gz LRFLYOSZGOMDHN-OAQYLSRUSA-N 1 0 373.541 2.654 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C(C)(C)C)cc2F)C[C@H](C)O1 ZINC000830545714 1033667062 /nfs/dbraw/zinc/66/70/62/1033667062.db2.gz MDGOXEIALYZJLF-GASCZTMLSA-N 1 0 365.493 2.786 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)cc2)CC1 ZINC000830822341 1033802976 /nfs/dbraw/zinc/80/29/76/1033802976.db2.gz GJOWXZVAOVIURB-SYYKKAFVSA-N 1 0 374.525 2.664 20 10 FFCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138127225 1033808225 /nfs/dbraw/zinc/80/82/25/1033808225.db2.gz UBSUOEVRZCHNCY-YLJYHZDGSA-N 1 0 371.456 2.649 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000831143296 1033966023 /nfs/dbraw/zinc/96/60/23/1033966023.db2.gz NHRYCIHIPWOAMS-LJQANCHMSA-N 1 0 371.456 2.963 20 10 FFCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138221082 1033972193 /nfs/dbraw/zinc/97/21/93/1033972193.db2.gz YIRYDNCQHKWDCD-LJQANCHMSA-N 1 0 358.482 2.688 20 10 FFCDRO Cc1c(C[N@H+]2CCc3nnc(Cn4cccc4)n3CC2)c2ccccc2n1C ZINC001138254081 1034022524 /nfs/dbraw/zinc/02/25/24/1034022524.db2.gz QBFMRTAMUFQYIO-UHFFFAOYSA-N 1 0 374.492 2.986 20 10 FFCDRO Cc1c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c2ccccc2n1C ZINC001138257925 1034028628 /nfs/dbraw/zinc/02/86/28/1034028628.db2.gz DFVYCMWMGBDUIZ-IEBWSBKVSA-N 1 0 373.497 2.947 20 10 FFCDRO Oc1c(CN2CC3(C2)CC(F)(F)CO3)cc2c3c1CCCN3CCC2 ZINC001138340563 1034170807 /nfs/dbraw/zinc/17/08/07/1034170807.db2.gz VMAGPWCNAUOIET-UHFFFAOYSA-N 1 0 350.409 2.701 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC000831748506 1034255653 /nfs/dbraw/zinc/25/56/53/1034255653.db2.gz DTJZZNSOYANMHP-YWZLYKJASA-N 1 0 371.456 2.519 20 10 FFCDRO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC001138496324 1034334823 /nfs/dbraw/zinc/33/48/23/1034334823.db2.gz NCVKULVNWVZPHE-CTNGQTDRSA-N 1 0 371.525 2.602 20 10 FFCDRO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497264 1034335537 /nfs/dbraw/zinc/33/55/37/1034335537.db2.gz GNMAOMJGCZJJOO-RBBKRZOGSA-N 1 0 374.525 2.931 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001138497886 1034336366 /nfs/dbraw/zinc/33/63/66/1034336366.db2.gz NSVMSSKTBTVBBD-YADHBBJMSA-N 1 0 372.509 2.683 20 10 FFCDRO c1ccc(OC2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC001138498184 1034336443 /nfs/dbraw/zinc/33/64/43/1034336443.db2.gz ULSMVKRVKZOGPV-UHFFFAOYSA-N 1 0 353.466 2.962 20 10 FFCDRO F[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH+]1CCCCC1 ZINC001138500610 1034342130 /nfs/dbraw/zinc/34/21/30/1034342130.db2.gz DBEOZYCIULMBGI-SFTDATJTSA-N 1 0 361.505 2.922 20 10 FFCDRO COC1CC[NH+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)CC1 ZINC001138499839 1034342255 /nfs/dbraw/zinc/34/22/55/1034342255.db2.gz LABXSWAHHLJTEC-UHFFFAOYSA-N 1 0 373.541 2.598 20 10 FFCDRO c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001138501765 1034345297 /nfs/dbraw/zinc/34/52/97/1034345297.db2.gz XDTRUZJNNKRWCQ-ZRZAMGCNSA-N 1 0 363.505 2.982 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cnc4[nH]ccc4c3)CC2)cc1 ZINC001138739852 1034607101 /nfs/dbraw/zinc/60/71/01/1034607101.db2.gz GDYLWNAASPWIMV-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COc1ccccc1C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832278154 1034698095 /nfs/dbraw/zinc/69/80/95/1034698095.db2.gz BBIHNOTYTMTTFA-SFHVURJKSA-N 1 0 353.466 2.609 20 10 FFCDRO CC(C)Oc1cccc(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832280242 1034699329 /nfs/dbraw/zinc/69/93/29/1034699329.db2.gz OEQUSWOYIFKKJZ-HXUWFJFHSA-N 1 0 355.482 2.899 20 10 FFCDRO COc1ccccc1/C(C)=C\C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283720 1034701136 /nfs/dbraw/zinc/70/11/36/1034701136.db2.gz ANGJWLQNZKUJHN-ZDRDQBANSA-N 1 0 353.466 2.981 20 10 FFCDRO CCOc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832284619 1034702969 /nfs/dbraw/zinc/70/29/69/1034702969.db2.gz KXEJAULPCRRAJP-QGZVFWFLSA-N 1 0 357.454 2.590 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]cn2)cc1C ZINC001226696471 1034792790 /nfs/dbraw/zinc/79/27/90/1034792790.db2.gz IGODJUDAVRIEOS-RTBURBONSA-N 1 0 370.497 2.877 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3[C@@H](CO)CCC[C@@H]3C(F)(F)F)cc2)CC1 ZINC001139407908 1035092462 /nfs/dbraw/zinc/09/24/62/1035092462.db2.gz GBMLLARJEMZTQC-QZTJIDSGSA-N 1 0 371.447 2.716 20 10 FFCDRO Cc1cc(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)ccc1N(C)C ZINC001139670794 1035193427 /nfs/dbraw/zinc/19/34/27/1035193427.db2.gz ADDKXIDDRUMLKA-UHFFFAOYSA-N 1 0 364.497 2.908 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1N(C)C ZINC001139671368 1035193935 /nfs/dbraw/zinc/19/39/35/1035193935.db2.gz JYJUIRZFXQAGIJ-RTWAWAEBSA-N 1 0 367.541 2.748 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@H](OCC(=O)NC(C)(C)C)C2)ccc1N(C)C ZINC001139673563 1035194434 /nfs/dbraw/zinc/19/44/34/1035194434.db2.gz SNJWHQDGXFBTHE-SFHVURJKSA-N 1 0 361.530 2.957 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1cccc(C)c1 ZINC000833565272 1035210956 /nfs/dbraw/zinc/21/09/56/1035210956.db2.gz AWDRZRRFUIWHPU-IBGZPJMESA-N 1 0 369.509 2.979 20 10 FFCDRO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054233 1035324039 /nfs/dbraw/zinc/32/40/39/1035324039.db2.gz MTJMIHBWIKEYRV-SFHVURJKSA-N 1 0 369.440 2.907 20 10 FFCDRO Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4cc(F)ccc4O)C[C@@H]3C2=O)c1 ZINC001140055312 1035324799 /nfs/dbraw/zinc/32/47/99/1035324799.db2.gz DAYCESSDTQQWGJ-HKUYNNGSSA-N 1 0 354.425 2.930 20 10 FFCDRO Cn1ccc(CN2CCCC23CC[NH+](Cc2cc(F)ccc2O)CC3)n1 ZINC001140055756 1035325080 /nfs/dbraw/zinc/32/50/80/1035325080.db2.gz SOBHXXBKFDJHNK-UHFFFAOYSA-N 1 0 358.461 2.895 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)c1O ZINC001140180520 1035370156 /nfs/dbraw/zinc/37/01/56/1035370156.db2.gz YJHHPYXPKVCHIZ-GGPKGHCWSA-N 1 0 372.509 2.858 20 10 FFCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000834502034 1035399774 /nfs/dbraw/zinc/39/97/74/1035399774.db2.gz MBWMKIRZCRAITF-IBGZPJMESA-N 1 0 355.457 2.930 20 10 FFCDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834508116 1035401543 /nfs/dbraw/zinc/40/15/43/1035401543.db2.gz IJOKWNAUQMKFRV-HNNXBMFYSA-N 1 0 357.454 2.614 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)cc2)CC1 ZINC001140287040 1035419567 /nfs/dbraw/zinc/41/95/67/1035419567.db2.gz DLWJEMFDZKXMSC-NRFANRHFSA-N 1 0 353.466 2.696 20 10 FFCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c(O)cccc4Cl)C[C@H]3C2)cn1 ZINC001140339842 1035443342 /nfs/dbraw/zinc/44/33/42/1035443342.db2.gz LZLRBPXBMFBGOJ-HZPDHXFCSA-N 1 0 360.889 2.733 20 10 FFCDRO CCC[N@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]2C1 ZINC001232199487 1035496377 /nfs/dbraw/zinc/49/63/77/1035496377.db2.gz AJVXSJREOQSMLT-HDICACEKSA-N 1 0 363.933 2.950 20 10 FFCDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1C ZINC000835073610 1035510667 /nfs/dbraw/zinc/51/06/67/1035510667.db2.gz NWIKDEXVXSBCAP-FQEVSTJZSA-N 1 0 372.484 2.972 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001277204582 1035528110 /nfs/dbraw/zinc/52/81/10/1035528110.db2.gz PQBBEXRFRJYTMN-MAUKXSAKSA-N 1 0 358.482 2.705 20 10 FFCDRO COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cc(C)cc1O ZINC001277204753 1035530058 /nfs/dbraw/zinc/53/00/58/1035530058.db2.gz WICUZGSNZOFWKD-QZTJIDSGSA-N 1 0 360.498 2.999 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232271169 1035540197 /nfs/dbraw/zinc/54/01/97/1035540197.db2.gz OXANXZOWYZZQMS-AWEZNQCLSA-N 1 0 370.877 2.514 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001232405192 1035654068 /nfs/dbraw/zinc/65/40/68/1035654068.db2.gz HXFDGOSAKZKSJK-SFHVURJKSA-N 1 0 364.392 2.965 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)c1 ZINC001140621631 1035749300 /nfs/dbraw/zinc/74/93/00/1035749300.db2.gz NGPYWXRSLNXNFZ-QWFCFKBJSA-N 1 0 358.482 2.596 20 10 FFCDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140665009 1035820737 /nfs/dbraw/zinc/82/07/37/1035820737.db2.gz ZYNFZTAWSUCQFO-KRWDZBQOSA-N 1 0 364.461 2.828 20 10 FFCDRO C[C@H](C[NH+](C)C)Oc1cc(O)cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228189532 1035983322 /nfs/dbraw/zinc/98/33/22/1035983322.db2.gz DQBWBCNERVEGAU-PIGZYNQJSA-N 1 0 373.405 2.839 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001140744773 1036035608 /nfs/dbraw/zinc/03/56/08/1036035608.db2.gz LGBRRUGFGSQJQH-UTKZUKDTSA-N 1 0 352.434 2.512 20 10 FFCDRO Cc1c(O)ccc(CN2CCc3onc(COc4cccnc4)c3C2)c1O ZINC001140748491 1036046643 /nfs/dbraw/zinc/04/66/43/1036046643.db2.gz LTBGMRVXWTUMON-UHFFFAOYSA-N 1 0 367.405 2.927 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC(n3c4ccccc4n(C)c3=O)CC2)c1O ZINC001140749374 1036050141 /nfs/dbraw/zinc/05/01/41/1036050141.db2.gz XJGLNYJBEOATTG-UHFFFAOYSA-N 1 0 367.449 2.897 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c1O ZINC001140749659 1036053776 /nfs/dbraw/zinc/05/37/76/1036053776.db2.gz ILDHURTVYPZQHF-UHFFFAOYSA-N 1 0 358.413 2.940 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001232837681 1036092243 /nfs/dbraw/zinc/09/22/43/1036092243.db2.gz LMMSRZWBMCQXOQ-CTNGQTDRSA-N 1 0 367.493 2.796 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c(O)c1 ZINC001232838938 1036093732 /nfs/dbraw/zinc/09/37/32/1036093732.db2.gz ODYCKNONBWECHN-QGZVFWFLSA-N 1 0 370.497 2.713 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)c(O)c1 ZINC001232839602 1036093869 /nfs/dbraw/zinc/09/38/69/1036093869.db2.gz RHCGFZJBYLPWJQ-HXUWFJFHSA-N 1 0 365.477 2.912 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)c(O)c1 ZINC001232838936 1036095313 /nfs/dbraw/zinc/09/53/13/1036095313.db2.gz ODYCKNONBWECHN-KRWDZBQOSA-N 1 0 370.497 2.713 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)c(O)c1 ZINC001232841434 1036098053 /nfs/dbraw/zinc/09/80/53/1036098053.db2.gz GAQMSMGBOKANDU-UHFFFAOYSA-N 1 0 365.477 2.909 20 10 FFCDRO C[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001233010351 1036243203 /nfs/dbraw/zinc/24/32/03/1036243203.db2.gz PLHHLOPKOVAKLF-DGCLKSJQSA-N 1 0 352.431 2.539 20 10 FFCDRO Oc1cc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)cc(O)c1O ZINC001233011735 1036246072 /nfs/dbraw/zinc/24/60/72/1036246072.db2.gz BZFPAQKHYBPLET-PXNSSMCTSA-N 1 0 370.449 2.811 20 10 FFCDRO Cc1ccc(C[NH+]2C[C@@H]3CN(Cc4cc(O)c(O)c(O)c4)C[C@H]3C2)cc1 ZINC001233013690 1036248532 /nfs/dbraw/zinc/24/85/32/1036248532.db2.gz ZSGAALLNCNTFKL-QZTJIDSGSA-N 1 0 354.450 2.676 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC001140855129 1036293153 /nfs/dbraw/zinc/29/31/53/1036293153.db2.gz OJAFHLAZYBVPIM-UHFFFAOYSA-N 1 0 354.498 2.951 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC001233110507 1036356138 /nfs/dbraw/zinc/35/61/38/1036356138.db2.gz OAMCNBCQJPEUMT-UHFFFAOYSA-N 1 0 355.276 2.954 20 10 FFCDRO CCOC(=O)c1c(CN2CC[NH+](CC3CC3)CC2)c2ccccc2n1C ZINC001233272467 1036478812 /nfs/dbraw/zinc/47/88/12/1036478812.db2.gz MKOHJJUASYFDRY-UHFFFAOYSA-N 1 0 355.482 2.883 20 10 FFCDRO CC(C)(C)c1ccc(O)c(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1 ZINC001233286839 1036493384 /nfs/dbraw/zinc/49/33/84/1036493384.db2.gz KZAQVEOMLNHWQA-UHFFFAOYSA-N 1 0 373.541 2.851 20 10 FFCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001233333481 1036538297 /nfs/dbraw/zinc/53/82/97/1036538297.db2.gz XKJDMAKGJVFZGS-TXEJJXNPSA-N 1 0 351.422 2.691 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)c(O)c1 ZINC001140950561 1036548800 /nfs/dbraw/zinc/54/88/00/1036548800.db2.gz YSWQMTHVMOAQPE-YVWKXTFCSA-N 1 0 358.482 2.596 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c(O)c1 ZINC001140952406 1036556379 /nfs/dbraw/zinc/55/63/79/1036556379.db2.gz QQVMTICYKCZWTI-RBUKOAKNSA-N 1 0 351.450 2.779 20 10 FFCDRO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453329 1036633783 /nfs/dbraw/zinc/63/37/83/1036633783.db2.gz DDOSBYILIUCEPD-LBPRGKRZSA-N 1 0 355.360 2.886 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)cc2O)C1 ZINC001233482809 1036651153 /nfs/dbraw/zinc/65/11/53/1036651153.db2.gz CMKYCVLWPPUACI-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO O=c1oc2ccccc2n1C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485798 1036653231 /nfs/dbraw/zinc/65/32/31/1036653231.db2.gz KYUXNJJQCIHVBM-UHFFFAOYSA-N 1 0 356.378 2.548 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(O)c(O)cc2O)N1c1ccccc1 ZINC001233484511 1036653823 /nfs/dbraw/zinc/65/38/23/1036653823.db2.gz NBGNUJQVMVMCOS-HZPDHXFCSA-N 1 0 354.406 2.573 20 10 FFCDRO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485793 1036654119 /nfs/dbraw/zinc/65/41/19/1036654119.db2.gz KRTBIYKZQPCZCI-DGCLKSJQSA-N 1 0 352.431 2.681 20 10 FFCDRO CCOC(=O)CCC1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141028260 1036766209 /nfs/dbraw/zinc/76/62/09/1036766209.db2.gz HPACTDJPLAUAAT-UHFFFAOYSA-N 1 0 351.443 2.965 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cc(OC)cc2OC)Cc2ccccc21 ZINC001141030745 1036775380 /nfs/dbraw/zinc/77/53/80/1036775380.db2.gz JIUREUOAJIUKSA-MRXNPFEDSA-N 1 0 357.406 2.682 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N[C@@H](C)C(C)=O)CC2)c(O)c1 ZINC001277827672 1036895142 /nfs/dbraw/zinc/89/51/42/1036895142.db2.gz XNDFIMKIBPENDY-KSSFIOAISA-N 1 0 358.482 2.650 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)c([O-])c1Cl ZINC001277834705 1036938596 /nfs/dbraw/zinc/93/85/96/1036938596.db2.gz TVMAEDVSOJDMJJ-SFHVURJKSA-N 1 0 352.862 2.889 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccncn4)CC3)c2c1 ZINC001234562549 1037090065 /nfs/dbraw/zinc/09/00/65/1037090065.db2.gz PMKMKZCSRMLRQY-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234990376 1037285334 /nfs/dbraw/zinc/28/53/34/1037285334.db2.gz GRTKGDIBUJKLCB-FQEVSTJZSA-N 1 0 366.461 2.882 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CCN(CC(C)(C)[NH+]2CCOCC2)C1 ZINC001207304431 1037328671 /nfs/dbraw/zinc/32/86/71/1037328671.db2.gz URLFIMJEZHWESJ-UHFFFAOYSA-N 1 0 357.498 2.656 20 10 FFCDRO CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001230656651 1037330569 /nfs/dbraw/zinc/33/05/69/1037330569.db2.gz GOBYEBOVXFAHDE-GUDVDZBRSA-N 1 0 362.518 2.612 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c2ccccc2n1C ZINC001235403345 1037529263 /nfs/dbraw/zinc/52/92/63/1037529263.db2.gz LCUSWPPTSOOPBS-WIYYLYMNSA-N 1 0 373.472 2.879 20 10 FFCDRO CC[NH+]1C[C@H]2CN(Cc3c(Br)ccc(OC)c3O)C[C@@H]2C1 ZINC001231555965 1037680731 /nfs/dbraw/zinc/68/07/31/1037680731.db2.gz VPWQYLGUYLURLX-RYUDHWBXSA-N 1 0 355.276 2.547 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1O ZINC001207758370 1037700825 /nfs/dbraw/zinc/70/08/25/1037700825.db2.gz WEHGLUOXLHJJJN-XJKSGUPXSA-N 1 0 353.260 2.754 20 10 FFCDRO COc1ccnc(O[C@@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC001231589395 1037706312 /nfs/dbraw/zinc/70/63/12/1037706312.db2.gz HNQFFAKMJZXZMX-OAHLLOKOSA-N 1 0 351.406 2.997 20 10 FFCDRO O=C(COC1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)NC1CC1 ZINC001231590934 1037706663 /nfs/dbraw/zinc/70/66/63/1037706663.db2.gz QKBBVQMUOCHYMY-UHFFFAOYSA-N 1 0 354.450 2.805 20 10 FFCDRO O=S1(=O)CCCCN1C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC001231589876 1037707595 /nfs/dbraw/zinc/70/75/95/1037707595.db2.gz STCFSQRFJXSSNP-UHFFFAOYSA-N 1 0 374.506 2.935 20 10 FFCDRO Cc1cccc(C[NH+]2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)c1O ZINC001231592758 1037711699 /nfs/dbraw/zinc/71/16/99/1037711699.db2.gz KGBRRDJUHVRGRQ-GOSISDBHSA-N 1 0 360.498 2.844 20 10 FFCDRO CCOC(=O)c1csc(N2CC[NH+](Cc3cccc(C)c3O)CC2)n1 ZINC001231592491 1037711805 /nfs/dbraw/zinc/71/18/05/1037711805.db2.gz NBJYUQZHHPPIIK-UHFFFAOYSA-N 1 0 361.467 2.656 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)c1O ZINC001231591755 1037712205 /nfs/dbraw/zinc/71/22/05/1037712205.db2.gz CFEHNAURWOQXAZ-HXUWFJFHSA-N 1 0 352.438 2.510 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)c(O)cc1O ZINC001231633788 1037754804 /nfs/dbraw/zinc/75/48/04/1037754804.db2.gz XUHFPLSSOXKNET-UBHSHLNASA-N 1 0 364.442 2.594 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231640157 1037764984 /nfs/dbraw/zinc/76/49/84/1037764984.db2.gz PJBUFXKTOAJICX-IBGZPJMESA-N 1 0 366.458 2.843 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3COC3)CC2)c(O)c1 ZINC001277976808 1037857544 /nfs/dbraw/zinc/85/75/44/1037857544.db2.gz XFICSYHIOJJTEX-GOSISDBHSA-N 1 0 358.482 2.633 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)c(O)c1 ZINC001231845306 1037943605 /nfs/dbraw/zinc/94/36/05/1037943605.db2.gz YGVUWTCJPHJRAG-UHFFFAOYSA-N 1 0 373.541 2.774 20 10 FFCDRO CCCC[C@H]1CN(Cc2cccc(I)c2O)CC[NH2+]1 ZINC001236142789 1037947129 /nfs/dbraw/zinc/94/71/29/1037947129.db2.gz SPMQXBLIEIKNDH-ZDUSSCGKSA-N 1 0 374.266 2.961 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC(=O)N(C(C)C)C2)CC1 ZINC001231858361 1037956525 /nfs/dbraw/zinc/95/65/25/1037956525.db2.gz UYXPKVDPADCYLK-UHFFFAOYSA-N 1 0 359.514 2.984 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4CCCN(C)C4)C3)C2)cc1 ZINC001255487535 1037969901 /nfs/dbraw/zinc/96/99/01/1037969901.db2.gz CVDZECCERDNXAF-IFMALSPDSA-N 1 0 373.541 2.708 20 10 FFCDRO COC(=O)[C@H](N)[C@H]1CCC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001236278808 1038019288 /nfs/dbraw/zinc/01/92/88/1038019288.db2.gz WNPADTMKJDJDJU-FXAWDEMLSA-N 1 0 355.482 2.806 20 10 FFCDRO FC(F)(F)Oc1ccc(N2CC[NH+](CCCn3cccn3)CC2)cc1 ZINC001208086882 1038020006 /nfs/dbraw/zinc/02/00/06/1038020006.db2.gz XVDWETZGMYLDOE-UHFFFAOYSA-N 1 0 354.376 2.994 20 10 FFCDRO COc1ccc(N2CCCC[C@]23CC(=O)N(CCn2ccnc2)C3)cc1 ZINC001277989936 1038158492 /nfs/dbraw/zinc/15/84/92/1038158492.db2.gz BZNDMVBEDHJRHI-HXUWFJFHSA-N 1 0 354.454 2.553 20 10 FFCDRO COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(O)cc1Br ZINC001236752635 1038239073 /nfs/dbraw/zinc/23/90/73/1038239073.db2.gz DOBWCHDRLOGTQG-UHFFFAOYSA-N 1 0 357.292 2.937 20 10 FFCDRO COC(=O)[C@H](C(C)C)N(C)Cc1cc(OC)c(Br)cc1O ZINC001236756099 1038242622 /nfs/dbraw/zinc/24/26/22/1038242622.db2.gz ITYJQLMZDLSRAG-AWEZNQCLSA-N 1 0 360.248 2.793 20 10 FFCDRO OCC[C@@H]1CC12CC[NH+](Cc1cc(O)c(Br)cc1O)CC2 ZINC001236768279 1038251661 /nfs/dbraw/zinc/25/16/61/1038251661.db2.gz PYURBNGVOFPAPO-GFCCVEGCSA-N 1 0 356.260 2.845 20 10 FFCDRO Oc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(O)cc1Br ZINC001236775959 1038258592 /nfs/dbraw/zinc/25/85/92/1038258592.db2.gz RNVOKROKOVSMPT-ZDUSSCGKSA-N 1 0 355.276 2.921 20 10 FFCDRO Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001236779109 1038263718 /nfs/dbraw/zinc/26/37/18/1038263718.db2.gz PXDNCSDROWFYBY-OAQYLSRUSA-N 1 0 355.434 2.963 20 10 FFCDRO CCc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c(O)c1 ZINC001236787614 1038267724 /nfs/dbraw/zinc/26/77/24/1038267724.db2.gz IRMOCPOBVUAHHC-GOSISDBHSA-N 1 0 360.498 2.804 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c(O)c1 ZINC001236786521 1038268559 /nfs/dbraw/zinc/26/85/59/1038268559.db2.gz FYRKTLSTKKQBDH-NRFANRHFSA-N 1 0 368.481 2.616 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(O)c1 ZINC001236787461 1038269270 /nfs/dbraw/zinc/26/92/70/1038269270.db2.gz VINVRRCZULYHKE-RTBURBONSA-N 1 0 351.450 2.725 20 10 FFCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)c(O)c1 ZINC001236787157 1038269736 /nfs/dbraw/zinc/26/97/36/1038269736.db2.gz JNVOBUHRAFISKK-AQNXPRMDSA-N 1 0 372.509 2.565 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(N3CCCOC3=O)CC2)c(Cl)c1 ZINC001236806112 1038281503 /nfs/dbraw/zinc/28/15/03/1038281503.db2.gz MQFFIBYEGBQXIS-UHFFFAOYSA-N 1 0 354.834 2.861 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)c(O)c1 ZINC001236811701 1038285658 /nfs/dbraw/zinc/28/56/58/1038285658.db2.gz RUKGIGNLPRULMY-UHFFFAOYSA-N 1 0 361.486 2.821 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC(Oc3nc(C)cc(OC)n3)CC2)c(O)c1 ZINC001236815675 1038288287 /nfs/dbraw/zinc/28/82/87/1038288287.db2.gz MOTIHHGIKWQPRD-UHFFFAOYSA-N 1 0 373.453 2.860 20 10 FFCDRO O=C(C1CC[NH+](Cc2cc3ccccc3cc2O)CC1)N1CCC(=O)CC1 ZINC001236831423 1038296529 /nfs/dbraw/zinc/29/65/29/1038296529.db2.gz GYEXVWVFLCNIPQ-UHFFFAOYSA-N 1 0 366.461 2.949 20 10 FFCDRO COc1cnc(N2CC[NH+](Cc3cc4ccccc4cc3O)CC2)nc1 ZINC001236835833 1038297200 /nfs/dbraw/zinc/29/72/00/1038297200.db2.gz VOSHVKKJPWFEKJ-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO CCCCN(CC(=O)OCC)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941855 1038370587 /nfs/dbraw/zinc/37/05/87/1038370587.db2.gz GJFOQFQKYASSPM-UHFFFAOYSA-N 1 0 365.493 2.743 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c1 ZINC001237045984 1038421501 /nfs/dbraw/zinc/42/15/01/1038421501.db2.gz WKPNZZWLQBYPKM-UHFFFAOYSA-N 1 0 370.449 2.837 20 10 FFCDRO CCOC(=O)c1cc2n(n1)CCCN(Cc1ccc(OCC)cc1O)C2 ZINC001237050148 1038424302 /nfs/dbraw/zinc/42/43/02/1038424302.db2.gz QJDJFAQTVDTDDT-UHFFFAOYSA-N 1 0 359.426 2.570 20 10 FFCDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1cc(C)n(-c3ccccc3)c1C)CC2 ZINC001237060215 1038428458 /nfs/dbraw/zinc/42/84/58/1038428458.db2.gz ILJYAYRUSTYCLT-IRLDBZIGSA-N 1 0 367.493 2.821 20 10 FFCDRO O=C1OCCC12CC[NH+](Cc1ccc(OCC(F)(F)F)cc1O)CC2 ZINC001237063131 1038429841 /nfs/dbraw/zinc/42/98/41/1038429841.db2.gz SERRMRAXTSWBJL-UHFFFAOYSA-N 1 0 359.344 2.862 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC[C@](C)(F)C2)[NH+](C)C)cc1 ZINC001256237005 1038446176 /nfs/dbraw/zinc/44/61/76/1038446176.db2.gz OMKNIVWKGYRXTM-MJGOQNOKSA-N 1 0 350.482 2.889 20 10 FFCDRO Oc1cccc(OC(F)(F)F)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237119773 1038448978 /nfs/dbraw/zinc/44/89/78/1038448978.db2.gz KSGCACYTKRTKHT-UHFFFAOYSA-N 1 0 360.376 2.587 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720473820 1038556138 /nfs/dbraw/zinc/55/61/38/1038556138.db2.gz HPHHYKQSVKUDJQ-ZIAGYGMSSA-N 1 0 357.317 2.824 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3CCC4(COC4)CC3)CC2)cc1 ZINC001257896815 1039046801 /nfs/dbraw/zinc/04/68/01/1039046801.db2.gz WJCTXDNVAOZZSV-UHFFFAOYSA-N 1 0 373.541 2.756 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cnccn4)C3)C2)cc1 ZINC001209782615 1039220142 /nfs/dbraw/zinc/22/01/42/1039220142.db2.gz RUGRIXKTUUCNLI-OAQYLSRUSA-N 1 0 368.481 2.604 20 10 FFCDRO COC[C@@H](O)C[NH+]1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001252820387 1039715730 /nfs/dbraw/zinc/71/57/30/1039715730.db2.gz OKNFAOUDRVDJBA-SFHVURJKSA-N 1 0 367.449 2.624 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CCN3CC[NH+](C)CC3)n2)cc1 ZINC001247444504 1039750630 /nfs/dbraw/zinc/75/06/30/1039750630.db2.gz DELVPUPQYPGOLU-UHFFFAOYSA-N 1 0 365.481 2.934 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CCOCc3ccccc3)CC2)cc1 ZINC001253259037 1040074698 /nfs/dbraw/zinc/07/46/98/1040074698.db2.gz RDHVZEPQIZWQHN-NRFANRHFSA-N 1 0 370.493 2.785 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)cc2F)CC1 ZINC001253990224 1040495464 /nfs/dbraw/zinc/49/54/64/1040495464.db2.gz PJKLBLCTSSHWBH-QGZVFWFLSA-N 1 0 357.477 2.680 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4CCC[C@@H]43)cc2)CC1 ZINC001254715837 1040905294 /nfs/dbraw/zinc/90/52/94/1040905294.db2.gz ATDZHYDSRLDOKZ-QUCCMNQESA-N 1 0 356.514 2.913 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001278551582 1041113444 /nfs/dbraw/zinc/11/34/44/1041113444.db2.gz KJEHDZRYJPNDDT-GOEBONIOSA-N 1 0 356.426 2.735 20 10 FFCDRO CC(=O)Nc1ccc(CN2CCC23C[NH+](Cc2ccccc2O)C3)cc1 ZINC001278552432 1041117757 /nfs/dbraw/zinc/11/77/57/1041117757.db2.gz USGHFTOJQXDAIF-UHFFFAOYSA-N 1 0 351.450 2.811 20 10 FFCDRO CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001278557000 1041145129 /nfs/dbraw/zinc/14/51/29/1041145129.db2.gz CCBOAVRRFSCYHJ-UHFFFAOYSA-N 1 0 351.922 2.895 20 10 FFCDRO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c(O)c1 ZINC001278576017 1041235353 /nfs/dbraw/zinc/23/53/53/1041235353.db2.gz CMROWJGUGBROFI-CALCHBBNSA-N 1 0 372.490 2.880 20 10 FFCDRO CCOc1cccc(C[NH+]2CC3(CN(Cc4scnc4C)C3)C2)c1O ZINC001278577078 1041237328 /nfs/dbraw/zinc/23/73/28/1041237328.db2.gz MURZHSHCSKAFLI-UHFFFAOYSA-N 1 0 359.495 2.874 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001261495218 1041268087 /nfs/dbraw/zinc/26/80/87/1041268087.db2.gz WIQONRHKUCSLKO-UHFFFAOYSA-N 1 0 368.525 2.562 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC001250829378 1041388627 /nfs/dbraw/zinc/38/86/27/1041388627.db2.gz HIELTLLGYCGNEH-AWEZNQCLSA-N 1 0 370.218 2.823 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001278605978 1041392813 /nfs/dbraw/zinc/39/28/13/1041392813.db2.gz ORAMWYOBFGJJLP-LJQANCHMSA-N 1 0 353.457 2.520 20 10 FFCDRO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001263011247 1042030979 /nfs/dbraw/zinc/03/09/79/1042030979.db2.gz WFXNYCYJZMFOPS-MJBXVCDLSA-N 1 0 361.515 2.899 20 10 FFCDRO O=C(/C=C/c1cncc(F)c1)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001263228926 1042185834 /nfs/dbraw/zinc/18/58/34/1042185834.db2.gz YOPQULXOXTUKSH-OZZQIWQLSA-N 1 0 367.424 2.743 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001279141776 1042915947 /nfs/dbraw/zinc/91/59/47/1042915947.db2.gz YUVWBTOCQJZVFQ-BZSNNMDCSA-N 1 0 354.450 2.795 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001279430876 1043104729 /nfs/dbraw/zinc/10/47/29/1043104729.db2.gz WYMGUIZPUGDYGR-CTNGQTDRSA-N 1 0 359.514 2.589 20 10 FFCDRO COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c([O-])ccc(F)c3F)(C1)CCC2 ZINC001279488171 1043173429 /nfs/dbraw/zinc/17/34/29/1043173429.db2.gz FYDYTDWFBYEKKM-MOPGFXCFSA-N 1 0 370.440 2.816 20 10 FFCDRO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2Cc2c(C)cc(C)cc2O)c1 ZINC001237452489 1043174304 /nfs/dbraw/zinc/17/43/04/1043174304.db2.gz OCXOPEXLSOFNPX-IBGZPJMESA-N 1 0 354.450 2.942 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC001237482651 1043195415 /nfs/dbraw/zinc/19/54/15/1043195415.db2.gz NDXAOWAMYZBBBQ-UHFFFAOYSA-N 1 0 351.450 2.629 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001237487946 1043202936 /nfs/dbraw/zinc/20/29/36/1043202936.db2.gz GQJDGARVJOCSFH-WIYYLYMNSA-N 1 0 354.450 2.761 20 10 FFCDRO COc1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)c(OC)c1 ZINC001237675187 1043303594 /nfs/dbraw/zinc/30/35/94/1043303594.db2.gz BDWUUZKTVJZDJX-UHFFFAOYSA-N 1 0 351.443 2.963 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)cc1Br ZINC001237682528 1043309254 /nfs/dbraw/zinc/30/92/54/1043309254.db2.gz YDZXYECMTDZAMM-MRXNPFEDSA-N 1 0 353.260 2.565 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](Oc3nccnc3C)C2)c(O)c(OC)c1 ZINC001237684761 1043311615 /nfs/dbraw/zinc/31/16/15/1043311615.db2.gz QIQXWMDWBSNSLB-OAHLLOKOSA-N 1 0 359.426 2.551 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(Br)c(C)cc2O)C1 ZINC001237687098 1043312935 /nfs/dbraw/zinc/31/29/35/1043312935.db2.gz ZIQFYRUNJVHUDK-CQSZACIVSA-N 1 0 355.276 2.906 20 10 FFCDRO CN(CC[NH+]1CCCC1)Cc1cccc(I)c1O ZINC001237780564 1043353638 /nfs/dbraw/zinc/35/36/38/1043353638.db2.gz PKJFMFDJAFDFLE-UHFFFAOYSA-N 1 0 360.239 2.524 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c([O-])c1Cl ZINC001279665390 1043429249 /nfs/dbraw/zinc/42/92/49/1043429249.db2.gz KOMMQAUYTCFMNC-GJZGRUSLSA-N 1 0 362.861 2.626 20 10 FFCDRO Oc1ccc(F)c(Cl)c1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001279685623 1043467423 /nfs/dbraw/zinc/46/74/23/1043467423.db2.gz ZQVCCUSOEGQESV-UHFFFAOYSA-N 1 0 350.825 2.616 20 10 FFCDRO Cc1cc(F)cc(CN2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1O ZINC001238063125 1043508695 /nfs/dbraw/zinc/50/86/95/1043508695.db2.gz XWJZOWIPUFHNMB-UXHICEINSA-N 1 0 371.456 2.710 20 10 FFCDRO CCOc1ccc(N2CCC[C@]3(CN(Cc4cn[nH]c4)CCO3)C2)cc1 ZINC001279731515 1043545807 /nfs/dbraw/zinc/54/58/07/1043545807.db2.gz JASRWSPSJLRGLT-FQEVSTJZSA-N 1 0 356.470 2.680 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N[C@H]3C[C@H]([NH3+])C3)cc2)cc1 ZINC001238398044 1043684547 /nfs/dbraw/zinc/68/45/47/1043684547.db2.gz GFSLXFHJEWTNNI-OMECZMERSA-N 1 0 373.482 2.936 20 10 FFCDRO O=C([C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2)N1CC=CC1 ZINC001279846487 1043765924 /nfs/dbraw/zinc/76/59/24/1043765924.db2.gz MBBPKFUMNRIUPO-INIZCTEOSA-N 1 0 356.466 2.879 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc4c3OCC4)cc2)CC1 ZINC001311002390 1043779187 /nfs/dbraw/zinc/77/91/87/1043779187.db2.gz HJOMJVLWODMGRG-UHFFFAOYSA-N 1 0 366.465 2.695 20 10 FFCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001311726845 1043967642 /nfs/dbraw/zinc/96/76/42/1043967642.db2.gz DBUGSLHGZSKJOO-KRWDZBQOSA-N 1 0 358.530 2.989 20 10 FFCDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001311743422 1043969643 /nfs/dbraw/zinc/96/96/43/1043969643.db2.gz BXRTVUXTCKECLB-MRXNPFEDSA-N 1 0 350.482 2.763 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC001279968666 1044003461 /nfs/dbraw/zinc/00/34/61/1044003461.db2.gz NIWQAQOXHNUGSJ-LWFIEOFISA-N 1 0 358.482 2.532 20 10 FFCDRO C[C@H]1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccccc2O)C[C@H](C)O1 ZINC001279968667 1044003602 /nfs/dbraw/zinc/00/36/02/1044003602.db2.gz NIWQAQOXHNUGSJ-VNXBCOTQSA-N 1 0 358.482 2.532 20 10 FFCDRO C[C@@H](NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2)c1ncc[nH]1 ZINC001279969151 1044004898 /nfs/dbraw/zinc/00/48/98/1044004898.db2.gz VHSVICWIZVEWFY-ZBFHGGJFSA-N 1 0 354.454 2.595 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1ccccc1O)CC2)N1CC(F)(C2CC2)C1 ZINC001279970960 1044008216 /nfs/dbraw/zinc/00/82/16/1044008216.db2.gz KHSBUQYOVYLOOV-QGZVFWFLSA-N 1 0 358.457 2.955 20 10 FFCDRO CCOc1cccc(C[NH2+]C23CC(C(=O)N4CCCC45CC5)(C2)C3)c1O ZINC001279982050 1044031209 /nfs/dbraw/zinc/03/12/09/1044031209.db2.gz UMNWGWQPUUIRJZ-UHFFFAOYSA-N 1 0 356.466 2.958 20 10 FFCDRO O=C([C@H]1CCSC12C[NH+](Cc1cc(Cl)ccc1O)C2)N1CC=CC1 ZINC001279983746 1044035997 /nfs/dbraw/zinc/03/59/97/1044035997.db2.gz PWRWYMBHBRKYLS-OAHLLOKOSA-N 1 0 364.898 2.752 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)cc1)Nc1ccc2c(c1)CCC2 ZINC001239223699 1044076647 /nfs/dbraw/zinc/07/66/47/1044076647.db2.gz RUPHWGKZOMGNOZ-UHFFFAOYSA-N 1 0 350.466 2.907 20 10 FFCDRO CCN(C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2O1)C(C)C ZINC001280047018 1044133909 /nfs/dbraw/zinc/13/39/09/1044133909.db2.gz VGFDQLOVWCESQX-HBFSDRIKSA-N 1 0 360.498 2.937 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(=O)N2CCCCO2)c(O)c1 ZINC001280046945 1044134568 /nfs/dbraw/zinc/13/45/68/1044134568.db2.gz SIXCBAODHATJJS-MRXNPFEDSA-N 1 0 362.495 2.562 20 10 FFCDRO CC(C)SCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001312660335 1044152059 /nfs/dbraw/zinc/15/20/59/1044152059.db2.gz HAIINTYWNKRBEE-QGZVFWFLSA-N 1 0 352.548 2.796 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)cc2)CC1 ZINC001313117362 1044243260 /nfs/dbraw/zinc/24/32/60/1044243260.db2.gz QRNDFRDIAGTWPU-RMFSNUHRSA-N 1 0 356.514 2.674 20 10 FFCDRO CC(C)OCCCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001313414807 1044349998 /nfs/dbraw/zinc/34/99/98/1044349998.db2.gz NMKHYVWYZYTWTO-IBGZPJMESA-N 1 0 364.534 2.812 20 10 FFCDRO O=C(NCC(F)F)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001280292743 1044559477 /nfs/dbraw/zinc/55/94/77/1044559477.db2.gz NDDVBWBYZGYADU-KBXCAEBGSA-N 1 0 356.388 2.905 20 10 FFCDRO COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1F ZINC001539236568 1070593720 /nfs/dbraw/zinc/59/37/20/1070593720.db2.gz VLOQNCWHVZHXOX-GOSISDBHSA-N 1 0 359.445 2.933 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2=Cc3ccccc3OC2)[NH+](C)C)cc1 ZINC001539236224 1070593925 /nfs/dbraw/zinc/59/39/25/1070593925.db2.gz QPZDYKJDDNZVKJ-FQEVSTJZSA-N 1 0 365.477 2.948 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2F)CC1 ZINC001318724660 1044839040 /nfs/dbraw/zinc/83/90/40/1044839040.db2.gz RMPANCDQNUSZPX-NSISKUIASA-N 1 0 361.505 2.871 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cc1O ZINC001318339279 1045275002 /nfs/dbraw/zinc/27/50/02/1045275002.db2.gz MEFVEJKCGDEERK-UHFFFAOYSA-N 1 0 359.445 2.582 20 10 FFCDRO CN1CCN(c2ccc(C[NH+]3CCC(n4ccnc4)CC3)cc2F)CC1 ZINC001319814382 1045276382 /nfs/dbraw/zinc/27/63/82/1045276382.db2.gz CWIIDVHIBKKLIV-UHFFFAOYSA-N 1 0 357.477 2.611 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001318516980 1045319980 /nfs/dbraw/zinc/31/99/80/1045319980.db2.gz OQFBXYCYDAGMDY-UXHICEINSA-N 1 0 374.529 2.790 20 10 FFCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000727161984 1045320714 /nfs/dbraw/zinc/32/07/14/1045320714.db2.gz OMMRHEGXUNPMGK-MRXNPFEDSA-N 1 0 370.457 2.590 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC001320130464 1045353395 /nfs/dbraw/zinc/35/33/95/1045353395.db2.gz LDBBGCBNHXBRCN-CJNGLKHVSA-N 1 0 364.511 2.795 20 10 FFCDRO Cc1c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc2c[nH+]cn21 ZINC001320259550 1045377405 /nfs/dbraw/zinc/37/74/05/1045377405.db2.gz DTVITTLKHFTBIK-OAHLLOKOSA-N 1 0 364.449 2.970 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2Cc3ccc(F)cc32)[NH+](C)C)cc1 ZINC001539707226 1070684772 /nfs/dbraw/zinc/68/47/72/1070684772.db2.gz PZVWCIDMBAHNKK-UXHICEINSA-N 1 0 355.457 2.951 20 10 FFCDRO Cc1ccc2c(c1)S[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC001326038959 1046737823 /nfs/dbraw/zinc/73/78/23/1046737823.db2.gz UUPGCZGLODBJOF-HKUYNNGSSA-N 1 0 355.507 2.894 20 10 FFCDRO [NH3+][C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001328605673 1048378376 /nfs/dbraw/zinc/37/83/76/1048378376.db2.gz BUBJGPNPSNKVLJ-IAOVAPTHSA-N 1 0 367.440 2.891 20 10 FFCDRO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCOCC1 ZINC001333873572 1049153212 /nfs/dbraw/zinc/15/32/12/1049153212.db2.gz KSXFWUPCKIEBEO-DYESRHJHSA-N 1 0 371.477 2.858 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2(C3CC3)CCOCC2)[NH+](C)C)cc1 ZINC001333890801 1049160245 /nfs/dbraw/zinc/16/02/45/1049160245.db2.gz FXVMLYXRBSKFHR-LJQANCHMSA-N 1 0 374.529 2.614 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC001292235468 1049201776 /nfs/dbraw/zinc/20/17/76/1049201776.db2.gz KLFCUEFLAMUQPD-PKOBYXMFSA-N 1 0 359.514 2.821 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCNc3ccccc3)cc2)CC1 ZINC001339834406 1050253838 /nfs/dbraw/zinc/25/38/38/1050253838.db2.gz ASSOJXSYJKHDRW-UHFFFAOYSA-N 1 0 352.482 2.557 20 10 FFCDRO CC(C)Cc1c[nH]c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001303085333 1051273273 /nfs/dbraw/zinc/27/32/73/1051273273.db2.gz OKZBUYZNPGHWAW-UHFFFAOYSA-N 1 0 354.498 2.895 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccn(C)n2)NC(=O)OC(C)(C)C)cc1 ZINC001308352802 1052449933 /nfs/dbraw/zinc/44/99/33/1052449933.db2.gz IWGSTTOZKQFFHJ-GOSISDBHSA-N 1 0 373.501 2.842 20 10 FFCDRO Cc1cc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)c(C)n1-c1ccccn1 ZINC001344368857 1052737712 /nfs/dbraw/zinc/73/77/12/1052737712.db2.gz QLXKGCNGJAHGBL-GOSISDBHSA-N 1 0 369.465 2.899 20 10 FFCDRO CN(Cc1ccccc1O)c1nnc(C2CC[NH+](C)CC2)n1CC1CC1 ZINC001346083834 1052739360 /nfs/dbraw/zinc/73/93/60/1052739360.db2.gz GZUFLXVGBPPEJU-UHFFFAOYSA-N 1 0 355.486 2.839 20 10 FFCDRO C[C@H](NC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001335380004 1053328735 /nfs/dbraw/zinc/32/87/35/1053328735.db2.gz GNJNHXGMVVNQRV-ZWOKBUDYSA-N 1 0 374.529 2.743 20 10 FFCDRO COc1ccc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c(O)c1OC ZINC001335444592 1053367022 /nfs/dbraw/zinc/36/70/22/1053367022.db2.gz OETYGOBXOFLDGN-UHFFFAOYSA-N 1 0 370.449 2.869 20 10 FFCDRO CO[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001335847569 1053599789 /nfs/dbraw/zinc/59/97/89/1053599789.db2.gz OIHCLNACZOBUSR-NHCUHLMSSA-N 1 0 371.525 2.650 20 10 FFCDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001347213731 1053726840 /nfs/dbraw/zinc/72/68/40/1053726840.db2.gz ZEZSUIGNHBMWRU-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO CCc1ncoc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001336974695 1054379609 /nfs/dbraw/zinc/37/96/09/1054379609.db2.gz UKULWGWMSONUKU-UHFFFAOYSA-N 1 0 368.481 2.699 20 10 FFCDRO CN1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)cc2F)CC1 ZINC001337033493 1054426087 /nfs/dbraw/zinc/42/60/87/1054426087.db2.gz VRIVKDCLWORUMZ-IBGZPJMESA-N 1 0 360.521 2.638 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc([S@](C)=O)cc2)N(C)C)cc1 ZINC001352109785 1055196118 /nfs/dbraw/zinc/19/61/18/1055196118.db2.gz AATXLEQYTCRCNI-NLFFAJNJSA-N 1 0 359.539 2.883 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCOC3CCSCC3)cc2F)CC1 ZINC001356046157 1055242733 /nfs/dbraw/zinc/24/27/33/1055242733.db2.gz OJWUCFXZSDLVIK-UHFFFAOYSA-N 1 0 367.534 2.579 20 10 FFCDRO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC001200345399 1056426040 /nfs/dbraw/zinc/42/60/40/1056426040.db2.gz FJJSGVXXZQVEIP-AWEZNQCLSA-N 1 0 358.313 2.957 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C2CC3(C2)C[C@@H]([NH3+])CCO3)cc1F ZINC001353534900 1056508783 /nfs/dbraw/zinc/50/87/83/1056508783.db2.gz LHVYQVVFLPEFQJ-NGEICVOHSA-N 1 0 363.477 2.575 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001544998929 1071720910 /nfs/dbraw/zinc/72/09/10/1071720910.db2.gz XVJMYHWBUFNJED-CRAIPNDOSA-N 1 0 354.450 2.667 20 10 FFCDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CCC2)cc1C ZINC001501964154 1058747681 /nfs/dbraw/zinc/74/76/81/1058747681.db2.gz GVHIBYWYTMCSTK-IAGOWNOFSA-N 1 0 368.481 2.659 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc(C)c3OC)cc2F)CC1 ZINC000848664613 1060417696 /nfs/dbraw/zinc/41/76/96/1060417696.db2.gz UNHAURHXBZRVRI-UHFFFAOYSA-N 1 0 359.449 2.687 20 10 FFCDRO CN(C[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O)CC(F)(F)F ZINC001459732985 1060802566 /nfs/dbraw/zinc/80/25/66/1060802566.db2.gz CPHNLSVBQBZUBY-HNNXBMFYSA-N 1 0 372.387 2.842 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@H]3CCC[C@]4(CCOC4)O3)CC2)cc1 ZINC001459794460 1060821100 /nfs/dbraw/zinc/82/11/00/1060821100.db2.gz DFFZMQCPMJMDAS-NHCUHLMSSA-N 1 0 360.498 2.936 20 10 FFCDRO CCCCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001460081225 1060890863 /nfs/dbraw/zinc/89/08/63/1060890863.db2.gz XAJRQRIPNMFCOG-RTBURBONSA-N 1 0 361.530 2.942 20 10 FFCDRO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1ccccc1O)[nH]c2=O ZINC001460635081 1061041349 /nfs/dbraw/zinc/04/13/49/1061041349.db2.gz AYGLFKZFHXLINL-NSHDSACASA-N 1 0 353.378 2.678 20 10 FFCDRO CC[C@@H]1C[C@@H](C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC001461111728 1061215869 /nfs/dbraw/zinc/21/58/69/1061215869.db2.gz BYCIXAVVMGSSEJ-AZUAARDMSA-N 1 0 361.530 2.612 20 10 FFCDRO CCCn1cncc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001461566959 1061352408 /nfs/dbraw/zinc/35/24/08/1061352408.db2.gz SRGDRNWPAXVGIG-UHFFFAOYSA-N 1 0 350.413 2.698 20 10 FFCDRO O=C(C[NH2+]Cc1c(O)cccc1Br)N1CCc2ccccc21 ZINC001462550522 1061667739 /nfs/dbraw/zinc/66/77/39/1061667739.db2.gz ZGYGWYUKNNOYDF-UHFFFAOYSA-N 1 0 361.239 2.834 20 10 FFCDRO COC(=O)c1cnc([C@H]2CC[N@H+](Cc3c(C)cc(OC)cc3O)C2)s1 ZINC001462636875 1061701228 /nfs/dbraw/zinc/70/12/28/1061701228.db2.gz RRBZAFPNLCORJS-LBPRGKRZSA-N 1 0 362.451 2.942 20 10 FFCDRO CCOc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001467037662 1063621350 /nfs/dbraw/zinc/62/13/50/1063621350.db2.gz HZGXMUWGERFMMT-KRWDZBQOSA-N 1 0 371.485 2.971 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC001497637085 1063737200 /nfs/dbraw/zinc/73/72/00/1063737200.db2.gz BZTKUNVMSHMCIF-PEPAHJGKSA-N 1 0 358.482 2.581 20 10 FFCDRO CC[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(F)(F)F ZINC001467569808 1063785612 /nfs/dbraw/zinc/78/56/12/1063785612.db2.gz PNVZSHOSZBGERQ-HUUCEWRRSA-N 1 0 360.424 2.995 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001468764092 1064034691 /nfs/dbraw/zinc/03/46/91/1064034691.db2.gz MRBYGJCFHVGKJN-GOSISDBHSA-N 1 0 362.518 2.647 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)cc1 ZINC001470067322 1064253142 /nfs/dbraw/zinc/25/31/42/1064253142.db2.gz JTAKCTWHLIOEIP-LPHOPBHVSA-N 1 0 374.529 2.694 20 10 FFCDRO CCc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1O ZINC001471565842 1064716208 /nfs/dbraw/zinc/71/62/08/1064716208.db2.gz WKSRJSOJRFXBRL-UHFFFAOYSA-N 1 0 353.466 2.636 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)cc2)[NH+](C)C)cc1 ZINC001472280723 1064998079 /nfs/dbraw/zinc/99/80/79/1064998079.db2.gz LHPVDYGYVPLTAG-CDXDBMBRSA-N 1 0 353.466 2.891 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2F)CC1 ZINC001474098401 1065456577 /nfs/dbraw/zinc/45/65/77/1065456577.db2.gz VWRXKLXTSAMRAO-UHFFFAOYSA-N 1 0 372.444 2.818 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC001578425400 1078472911 /nfs/dbraw/zinc/47/29/11/1078472911.db2.gz BWRUWNHMPUTGBC-GFCCVEGCSA-N 1 0 353.335 2.626 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2C[C@H]2C[NH3+])cc1 ZINC001579224456 1078593616 /nfs/dbraw/zinc/59/36/16/1078593616.db2.gz KEZJJQLYPCLQLZ-JXFKEZNVSA-N 1 0 353.466 2.889 20 10 FFCDRO CCNc1cccnc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001558723036 1076063402 /nfs/dbraw/zinc/06/34/02/1076063402.db2.gz FRQCTKZMZBXQMN-SFHVURJKSA-N 1 0 355.486 2.612 20 10 FFCDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 ZINC001560283712 1076260128 /nfs/dbraw/zinc/26/01/28/1076260128.db2.gz HVPFKAJAJUJTIU-HBFSDRIKSA-N 1 0 359.514 2.682 20 10 FFCDRO CC[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[C@H]1CCCO1 ZINC001564494007 1076637838 /nfs/dbraw/zinc/63/78/38/1076637838.db2.gz HTHYUNPICRSTDE-GBESFXJTSA-N 1 0 362.518 2.612 20 10 FFCDRO Cc1ccn2cnc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)c2c1 ZINC001586060706 1079538099 /nfs/dbraw/zinc/53/80/99/1079538099.db2.gz KPQVZCMNKCZFNK-LJQANCHMSA-N 1 0 365.481 2.741 20 10 FFCDRO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589957756 1080903202 /nfs/dbraw/zinc/90/32/02/1080903202.db2.gz SUAHAKXWWSGIFP-VFPJAPOESA-N 1 0 356.474 2.630 20 10 FFCDRO CCC(=O)N1CCCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000373223823 512228019 /nfs/dbraw/zinc/22/80/19/512228019.db2.gz LKMSTHLIWPVXCX-UHFFFAOYSA-N 1 0 355.276 2.907 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1O ZINC000073897550 507964912 /nfs/dbraw/zinc/96/49/12/507964912.db2.gz VEVHLQDXYYQXGV-QGZVFWFLSA-N 1 0 357.454 2.811 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092069557 508040262 /nfs/dbraw/zinc/04/02/62/508040262.db2.gz RWHDKVQZOGDOQH-LBPRGKRZSA-N 1 0 351.248 2.658 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000092756302 508099827 /nfs/dbraw/zinc/09/98/27/508099827.db2.gz BBVGQBDIJOLKOX-AWEZNQCLSA-N 1 0 355.276 2.833 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccccn3)cc2F)CC1 ZINC000106702315 508403771 /nfs/dbraw/zinc/40/37/71/508403771.db2.gz MNWOOSFHARESTJ-UHFFFAOYSA-N 1 0 370.472 2.612 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000128000760 508533071 /nfs/dbraw/zinc/53/30/71/508533071.db2.gz UEQGLVDBBRPCRQ-HNNXBMFYSA-N 1 0 361.511 2.683 20 10 FFCDRO CNC(=O)c1cccc(CC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000157844162 508620612 /nfs/dbraw/zinc/62/06/12/508620612.db2.gz NIHAJYZRQIWGMH-UHFFFAOYSA-N 1 0 367.493 2.856 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2F)CC1 ZINC000161352629 509105971 /nfs/dbraw/zinc/10/59/71/509105971.db2.gz OMDUGCMHFYVULI-UHFFFAOYSA-N 1 0 364.461 2.562 20 10 FFCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000182374762 509201319 /nfs/dbraw/zinc/20/13/19/509201319.db2.gz MCNLWSVQQAOINQ-UYAOXDASSA-N 1 0 356.514 2.913 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3ccccc3)CC2)cc1 ZINC000162529412 509243577 /nfs/dbraw/zinc/24/35/77/509243577.db2.gz UTLPZZMNWKOEON-UHFFFAOYSA-N 1 0 353.466 2.684 20 10 FFCDRO CCOc1cc(NC2CC[NH+](Cc3cccc(OC)c3O)CC2)ncn1 ZINC000185663470 509292924 /nfs/dbraw/zinc/29/29/24/509292924.db2.gz PXDHKAOQADJSEV-UHFFFAOYSA-N 1 0 358.442 2.666 20 10 FFCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000186029478 509488422 /nfs/dbraw/zinc/48/84/22/509488422.db2.gz KLTHZWPEZMNBHV-UWVGGRQHSA-N 1 0 350.278 2.629 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1O ZINC000179647352 509553992 /nfs/dbraw/zinc/55/39/92/509553992.db2.gz IWXWZJJLNULXDJ-INIZCTEOSA-N 1 0 367.449 2.897 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1F ZINC000177273244 509973078 /nfs/dbraw/zinc/97/30/78/509973078.db2.gz ODZWUCOBBYJIKP-UHFFFAOYSA-N 1 0 371.456 2.858 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000180586973 510000319 /nfs/dbraw/zinc/00/03/19/510000319.db2.gz HMOJPBIILUMBQG-VQHVLOKHSA-N 1 0 352.434 2.892 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1O ZINC000177465679 510076619 /nfs/dbraw/zinc/07/66/19/510076619.db2.gz RVHUUEYHMPXNRE-QGZVFWFLSA-N 1 0 351.418 2.894 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H](C)c3cnc(C)nc3C)CC2)cc1 ZINC000268818983 510093081 /nfs/dbraw/zinc/09/30/81/510093081.db2.gz LIGJXYAHZLUIAI-INIZCTEOSA-N 1 0 369.513 2.575 20 10 FFCDRO CC[N@H+](CC(=O)NCC(F)(F)F)Cc1cc(Br)ccc1O ZINC000174424598 510108358 /nfs/dbraw/zinc/10/83/58/510108358.db2.gz FRVOTHTXPBLAMP-UHFFFAOYSA-N 1 0 369.181 2.655 20 10 FFCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181245834 510320921 /nfs/dbraw/zinc/32/09/21/510320921.db2.gz KPMBIJCNLUBRHK-UJAVWCLSSA-N 1 0 367.449 2.848 20 10 FFCDRO CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000262626378 510340610 /nfs/dbraw/zinc/34/06/10/510340610.db2.gz BVLKVCWMSYYQQO-UHFFFAOYSA-N 1 0 352.482 2.588 20 10 FFCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000269471564 510424350 /nfs/dbraw/zinc/42/43/50/510424350.db2.gz USOXESJZTIJFCO-AWEZNQCLSA-N 1 0 355.438 2.730 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269626236 510488299 /nfs/dbraw/zinc/48/82/99/510488299.db2.gz OXLUCNBSBWJHOC-NRFANRHFSA-N 1 0 371.525 2.889 20 10 FFCDRO Cn1cc([C@H]2CSCCN2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000191745728 510812399 /nfs/dbraw/zinc/81/23/99/510812399.db2.gz OWBMNANVGZXRGI-LJQANCHMSA-N 1 0 358.511 2.547 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ccccc2NC1=O ZINC000276737174 510945513 /nfs/dbraw/zinc/94/55/13/510945513.db2.gz CMJWRUSKAQIKII-NRFANRHFSA-N 1 0 365.477 2.909 20 10 FFCDRO C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)C[N@@H+]1C1CC1 ZINC000277613657 510967908 /nfs/dbraw/zinc/96/79/08/510967908.db2.gz VWCLQSQGPXVKTG-JQWIXIFHSA-N 1 0 368.275 2.579 20 10 FFCDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(O)c3O)cc2)CC1 ZINC000285622552 510982050 /nfs/dbraw/zinc/98/20/50/510982050.db2.gz DLHBYEOFOSGONH-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(C)cc1O ZINC000285657905 510997761 /nfs/dbraw/zinc/99/77/61/510997761.db2.gz MAHSYOMWGUAOHY-RGPMPMONSA-N 1 0 359.514 2.825 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(O)c1C ZINC000285666514 511003048 /nfs/dbraw/zinc/00/30/48/511003048.db2.gz MPFYHZZPQIFOCG-HUUCEWRRSA-N 1 0 352.500 2.616 20 10 FFCDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000279088540 511018149 /nfs/dbraw/zinc/01/81/49/511018149.db2.gz NFYKRPSOXIUXMX-AWEZNQCLSA-N 1 0 372.444 2.867 20 10 FFCDRO CCCC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccccc1O ZINC000282567801 511028573 /nfs/dbraw/zinc/02/85/73/511028573.db2.gz ZHHAWFSSMRHSHW-UHFFFAOYSA-N 1 0 358.467 2.967 20 10 FFCDRO O=C(NCCCO)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000271038632 511064582 /nfs/dbraw/zinc/06/45/82/511064582.db2.gz HNGQLBTYNRPCME-UHFFFAOYSA-N 1 0 368.477 2.770 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000288484141 511077606 /nfs/dbraw/zinc/07/76/06/511077606.db2.gz GRPGFTWYEAIONK-XJKSGUPXSA-N 1 0 350.212 2.739 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2c(O)cccc2Cl)cc1O ZINC000289538275 511104080 /nfs/dbraw/zinc/10/40/80/511104080.db2.gz WQNWPSVJVSTFME-CYBMUJFWSA-N 1 0 351.830 2.701 20 10 FFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000289554407 511104667 /nfs/dbraw/zinc/10/46/67/511104667.db2.gz RIXRMZKKGZTTKJ-CQSZACIVSA-N 1 0 352.431 2.510 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(C(F)F)n1 ZINC000291152803 511159793 /nfs/dbraw/zinc/15/97/93/511159793.db2.gz HMDOWGOGIUQUEA-UHFFFAOYSA-N 1 0 368.403 2.748 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cccc(S(N)(=O)=O)c1 ZINC000271776194 511319739 /nfs/dbraw/zinc/31/97/39/511319739.db2.gz VCKRUTZLQUPWTE-CQSZACIVSA-N 1 0 359.495 2.567 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)cc2)CC1 ZINC000295274698 511344455 /nfs/dbraw/zinc/34/44/55/511344455.db2.gz ZOSASZHWICMBIQ-MRXNPFEDSA-N 1 0 354.441 2.751 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1 ZINC000295664218 511476272 /nfs/dbraw/zinc/47/62/72/511476272.db2.gz JQZWIZCXSHZDMZ-IBGZPJMESA-N 1 0 356.495 2.941 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000295686874 511482900 /nfs/dbraw/zinc/48/29/00/511482900.db2.gz CWMVVZWUEOQJBM-LJQANCHMSA-N 1 0 352.482 2.643 20 10 FFCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272360190 511492166 /nfs/dbraw/zinc/49/21/66/511492166.db2.gz SBUPUPYUCSVPPS-KSMMKXTCSA-N 1 0 351.466 2.573 20 10 FFCDRO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)c(O)c1O ZINC000272795042 511507072 /nfs/dbraw/zinc/50/70/72/511507072.db2.gz XMDSXTPXFIGONH-UHFFFAOYSA-N 1 0 370.453 2.584 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000273390344 511525015 /nfs/dbraw/zinc/52/50/15/511525015.db2.gz KODVRVZHCMOBRQ-KRWDZBQOSA-N 1 0 367.493 2.939 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](C)O[C@]4(CCOC4)C3)cc2)CC1 ZINC000295983052 511578630 /nfs/dbraw/zinc/57/86/30/511578630.db2.gz LIUVYXQIYYBUIO-LAUBAEHRSA-N 1 0 360.498 2.682 20 10 FFCDRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1)N1CCCC1 ZINC000296045382 511600772 /nfs/dbraw/zinc/60/07/72/511600772.db2.gz QUUXTWTXPKBYOP-SFHVURJKSA-N 1 0 372.490 2.954 20 10 FFCDRO NC(=O)c1c[nH+]ccc1N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000302137223 511707345 /nfs/dbraw/zinc/70/73/45/511707345.db2.gz FGJTZUIHNHMKTM-GFCCVEGCSA-N 1 0 362.380 2.863 20 10 FFCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000363913171 511847035 /nfs/dbraw/zinc/84/70/35/511847035.db2.gz GTQTUOLKSMOBIY-GUDVDZBRSA-N 1 0 373.497 2.710 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000363951348 511870495 /nfs/dbraw/zinc/87/04/95/511870495.db2.gz WHGRMHBYPJLHKS-OAQYLSRUSA-N 1 0 371.525 2.889 20 10 FFCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000297007174 511985171 /nfs/dbraw/zinc/98/51/71/511985171.db2.gz HFHWNCGSBHLDNK-QGZVFWFLSA-N 1 0 356.514 2.913 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000293602073 512023275 /nfs/dbraw/zinc/02/32/75/512023275.db2.gz VEBAGVADBBYEHY-OAQYLSRUSA-N 1 0 358.457 2.698 20 10 FFCDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293727018 512063925 /nfs/dbraw/zinc/06/39/25/512063925.db2.gz OBXZDLYVQYHHNM-HOTGVXAUSA-N 1 0 365.493 2.865 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCNC(=O)c3cccc(C)c3)CC2)cc1 ZINC000364446597 512109550 /nfs/dbraw/zinc/10/95/50/512109550.db2.gz PLBNPADHYVRBRG-UHFFFAOYSA-N 1 0 367.493 2.992 20 10 FFCDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000368034294 512773823 /nfs/dbraw/zinc/77/38/23/512773823.db2.gz JFEMTEGPUSUQKL-HNNXBMFYSA-N 1 0 359.449 2.953 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000372281913 512794875 /nfs/dbraw/zinc/79/48/75/512794875.db2.gz KRJQBLSZXLXZPD-ZIAGYGMSSA-N 1 0 357.834 2.597 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)cc1O ZINC000368325379 512900922 /nfs/dbraw/zinc/90/09/22/512900922.db2.gz ZZDRVTFBXZOEEK-IACUBPJLSA-N 1 0 355.276 2.669 20 10 FFCDRO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]1 ZINC000370562969 512995065 /nfs/dbraw/zinc/99/50/65/512995065.db2.gz BHWNAWRXLMXSNB-KKUMJFAQSA-N 1 0 367.440 2.761 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000370636945 513026970 /nfs/dbraw/zinc/02/69/70/513026970.db2.gz SURZOQNSKXMXEB-NVXWUHKLSA-N 1 0 352.482 2.781 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000472288896 515205536 /nfs/dbraw/zinc/20/55/36/515205536.db2.gz ZCWDBGGYXPLNTN-UHFFFAOYSA-N 1 0 372.513 2.521 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000460674238 516218943 /nfs/dbraw/zinc/21/89/43/516218943.db2.gz JGPWCYHOGVTMFS-UHFFFAOYSA-N 1 0 373.545 2.512 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(C)c2)C1 ZINC000568713146 519176109 /nfs/dbraw/zinc/17/61/09/519176109.db2.gz DOBYVCRKTACTSP-UHFFFAOYSA-N 1 0 351.454 2.780 20 10 FFCDRO COc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000826216115 608532981 /nfs/dbraw/zinc/53/29/81/608532981.db2.gz LGLGYJBZFYFYFR-UHFFFAOYSA-N 1 0 353.426 2.992 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1F ZINC000898398678 735355605 /nfs/dbraw/zinc/35/56/05/735355605.db2.gz JLQZTEMQQGBFEA-VWLOTQADSA-N 1 0 370.538 2.678 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000112536828 728546359 /nfs/dbraw/zinc/54/63/59/728546359.db2.gz JUVZJMQBIBHCFN-KGLIPLIRSA-N 1 0 360.483 2.658 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000125129995 728678909 /nfs/dbraw/zinc/67/89/09/728678909.db2.gz YVMFZEYGKJECLF-HNNXBMFYSA-N 1 0 353.532 2.607 20 10 FFCDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000126427513 728702019 /nfs/dbraw/zinc/70/20/19/728702019.db2.gz GQAVQFFSPKMOMX-HUUCEWRRSA-N 1 0 365.905 2.838 20 10 FFCDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129901923 728713939 /nfs/dbraw/zinc/71/39/39/728713939.db2.gz FRMDEPZMAKSPDT-CQSZACIVSA-N 1 0 353.894 2.744 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000151452234 728745508 /nfs/dbraw/zinc/74/55/08/728745508.db2.gz SFHUBLFGAWVWGG-QFBILLFUSA-N 1 0 366.502 2.807 20 10 FFCDRO CCc1nsc(N2CCC[N@H+](Cc3cc(C)cc(OC)c3O)CC2)n1 ZINC000164432573 728966431 /nfs/dbraw/zinc/96/64/31/728966431.db2.gz ORMQWSLKGWRETL-UHFFFAOYSA-N 1 0 362.499 2.835 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1C ZINC000180558820 729218646 /nfs/dbraw/zinc/21/86/46/729218646.db2.gz IGECKWRCOFYTGN-GOSISDBHSA-N 1 0 366.527 2.835 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1F ZINC000858106420 730416705 /nfs/dbraw/zinc/41/67/05/730416705.db2.gz ISDBGXSWRUTAKG-CQSZACIVSA-N 1 0 354.372 2.699 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1F ZINC000858111580 730416872 /nfs/dbraw/zinc/41/68/72/730416872.db2.gz LJEMMIUSTYXWDT-UHFFFAOYSA-N 1 0 368.449 2.984 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)N1CCCC1 ZINC000858137197 730417534 /nfs/dbraw/zinc/41/75/34/730417534.db2.gz IVXMDFGJMTYZMH-HNNXBMFYSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C)cc1C ZINC000858255179 730421001 /nfs/dbraw/zinc/42/10/01/730421001.db2.gz SRMSGIJMZYJOQV-UHFFFAOYSA-N 1 0 352.475 2.982 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000858498599 730427361 /nfs/dbraw/zinc/42/73/61/730427361.db2.gz RXCWLTLYECDDFO-KZNAEPCWSA-N 1 0 353.532 2.654 20 10 FFCDRO O=C([C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1)N1CCCC1 ZINC000862243676 730680660 /nfs/dbraw/zinc/68/06/60/730680660.db2.gz OYYJHMFUJVMTDM-CYBMUJFWSA-N 1 0 367.287 2.989 20 10 FFCDRO CC(C)OCC[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862248023 730681735 /nfs/dbraw/zinc/68/17/35/730681735.db2.gz PNPDQIHQENDZSR-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)[nH]1 ZINC000862254092 730682604 /nfs/dbraw/zinc/68/26/04/730682604.db2.gz VPYLRKKFOYDSFO-NSHDSACASA-N 1 0 351.248 2.961 20 10 FFCDRO CN(C)c1cc(F)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000862254096 730682657 /nfs/dbraw/zinc/68/26/57/730682657.db2.gz VSHLKNHCZDNEJP-UCLAIMLFSA-N 1 0 353.457 2.714 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000862328146 730688182 /nfs/dbraw/zinc/68/81/82/730688182.db2.gz LCBIGRNRNXTBGM-UHFFFAOYSA-N 1 0 356.260 2.926 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000862347533 730690624 /nfs/dbraw/zinc/69/06/24/730690624.db2.gz FMDNZRMAUPKJQX-OAHLLOKOSA-N 1 0 366.259 2.823 20 10 FFCDRO C[N@H+](Cc1c(O)cccc1Br)C(C)(C)CN1CCOCC1 ZINC000862395292 730696946 /nfs/dbraw/zinc/69/69/46/730696946.db2.gz ZGHOAZGAUZAGCN-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000925781710 738529497 /nfs/dbraw/zinc/52/94/97/738529497.db2.gz ZTGNVJVZWFESPA-ZFWWWQNUSA-N 1 0 357.420 2.558 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000872150243 731734588 /nfs/dbraw/zinc/73/45/88/731734588.db2.gz ZHYAPXLIESRIEJ-GXFFZTMASA-N 1 0 350.768 2.817 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)COCC(F)(F)F)cc1Cn1cccn1 ZINC000873028242 731865642 /nfs/dbraw/zinc/86/56/42/731865642.db2.gz KANBARYHJCFQDL-ZDUSSCGKSA-N 1 0 357.376 2.997 20 10 FFCDRO CCCOc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1C ZINC000873030633 731866128 /nfs/dbraw/zinc/86/61/28/731866128.db2.gz JXZUKHNJEAOSNL-UHFFFAOYSA-N 1 0 354.516 2.545 20 10 FFCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(S(N)(=O)=O)c1 ZINC000876583959 732258963 /nfs/dbraw/zinc/25/89/63/732258963.db2.gz CCFQBMFTSNFAAQ-UHFFFAOYSA-N 1 0 361.511 2.811 20 10 FFCDRO CCCC[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccccc1O ZINC000877503377 732374527 /nfs/dbraw/zinc/37/45/27/732374527.db2.gz KKWGOOKRWMOLOG-UHFFFAOYSA-N 1 0 354.497 2.903 20 10 FFCDRO C[NH+](C)Cc1ccnc(NC(=O)NCCCSc2nccs2)c1 ZINC000880597462 732930180 /nfs/dbraw/zinc/93/01/80/732930180.db2.gz BPVAGZXHGAERCW-UHFFFAOYSA-N 1 0 351.501 2.904 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Br)ccc1O ZINC000926954258 738672772 /nfs/dbraw/zinc/67/27/72/738672772.db2.gz SPPWHEZEBOEYJJ-JTQLQIEISA-N 1 0 364.305 2.876 20 10 FFCDRO CC(C)c1scnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881853371 733120824 /nfs/dbraw/zinc/12/08/24/733120824.db2.gz UCWXYRXDTACLEN-UHFFFAOYSA-N 1 0 358.511 2.948 20 10 FFCDRO COC[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000883173134 733345963 /nfs/dbraw/zinc/34/59/63/733345963.db2.gz CSNMHEVLJPKXBY-HKUYNNGSSA-N 1 0 350.528 2.771 20 10 FFCDRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCSc1nccs1 ZINC000884138109 733485328 /nfs/dbraw/zinc/48/53/28/733485328.db2.gz FDADGAVUCDMCNW-CQSZACIVSA-N 1 0 360.508 2.793 20 10 FFCDRO [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229276 733498935 /nfs/dbraw/zinc/49/89/35/733498935.db2.gz MECIIMJSVPXUCK-CJNGLKHVSA-N 1 0 353.413 2.500 20 10 FFCDRO CN(Cc1ccsc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889673671 734206730 /nfs/dbraw/zinc/20/67/30/734206730.db2.gz LYAWKTWTOSHJQJ-UHFFFAOYSA-N 1 0 358.511 2.842 20 10 FFCDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1cccc(Cl)c1O ZINC000890760726 734336908 /nfs/dbraw/zinc/33/69/08/734336908.db2.gz XZFLSSADVCNVMZ-UHFFFAOYSA-N 1 0 352.862 2.697 20 10 FFCDRO COc1ccc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c(O)c1OC ZINC000891916415 734494272 /nfs/dbraw/zinc/49/42/72/734494272.db2.gz AQUZKYBYPMTNIA-UHFFFAOYSA-N 1 0 351.443 2.963 20 10 FFCDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000892484144 734564305 /nfs/dbraw/zinc/56/43/05/734564305.db2.gz ZMOJMKZTSCAASE-CYBMUJFWSA-N 1 0 370.291 2.732 20 10 FFCDRO Cc1ncsc1CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892812043 734607432 /nfs/dbraw/zinc/60/74/32/734607432.db2.gz JQBMQPKQICCOMD-INIZCTEOSA-N 1 0 361.515 2.620 20 10 FFCDRO COC(=O)c1cnc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000894216389 734819905 /nfs/dbraw/zinc/81/99/05/734819905.db2.gz OQGQREHZJOTUSB-UHFFFAOYSA-N 1 0 361.467 2.697 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000895392692 734999591 /nfs/dbraw/zinc/99/95/91/734999591.db2.gz RNLNBWAPJBLUSK-UHFFFAOYSA-N 1 0 353.875 2.937 20 10 FFCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738439253 735033117 /nfs/dbraw/zinc/03/31/17/735033117.db2.gz CLLZHQWBNOARLN-KRWDZBQOSA-N 1 0 353.488 2.789 20 10 FFCDRO Cc1nc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)sc1C ZINC000896053107 735094851 /nfs/dbraw/zinc/09/48/51/735094851.db2.gz BGFAOVFLWSQFKC-UHFFFAOYSA-N 1 0 358.511 2.751 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896568467 735175119 /nfs/dbraw/zinc/17/51/19/735175119.db2.gz NFWWOTCEILSYGP-RDJZCZTQSA-N 1 0 360.527 2.520 20 10 FFCDRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000897177163 735201948 /nfs/dbraw/zinc/20/19/48/735201948.db2.gz KJHHGXRFMFTLKM-OAHLLOKOSA-N 1 0 370.287 2.908 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897256457 735211230 /nfs/dbraw/zinc/21/12/30/735211230.db2.gz AZSFBJXJSQFKIZ-GFCCVEGCSA-N 1 0 356.260 2.661 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1O ZINC000748051376 735611893 /nfs/dbraw/zinc/61/18/93/735611893.db2.gz SJWRBIJRLCTSFT-CQSZACIVSA-N 1 0 364.873 2.986 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000750047019 735767973 /nfs/dbraw/zinc/76/79/73/735767973.db2.gz LENXYSXLURRBTQ-OAHLLOKOSA-N 1 0 369.845 2.792 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)c1 ZINC000903172732 736047628 /nfs/dbraw/zinc/04/76/28/736047628.db2.gz CQDPTFHJWNQEHQ-HNNXBMFYSA-N 1 0 362.495 2.943 20 10 FFCDRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccc(Br)cc1O ZINC000903419647 736089917 /nfs/dbraw/zinc/08/99/17/736089917.db2.gz CPPQMQMABDUNTM-SNVBAGLBSA-N 1 0 352.232 2.732 20 10 FFCDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000755220734 736242347 /nfs/dbraw/zinc/24/23/47/736242347.db2.gz POVCJIQSDMQJQD-UHFFFAOYSA-N 1 0 360.907 2.728 20 10 FFCDRO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756357553 736324899 /nfs/dbraw/zinc/32/48/99/736324899.db2.gz DIUGCWLLHGHHSH-GFCCVEGCSA-N 1 0 374.298 2.582 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(Cl)ccc1O ZINC000756458708 736333077 /nfs/dbraw/zinc/33/30/77/736333077.db2.gz KDJVYPFTLHGAEG-WCQYABFASA-N 1 0 365.813 2.865 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000756483465 736335175 /nfs/dbraw/zinc/33/51/75/736335175.db2.gz OGKFEPJELYPYOE-ZDUSSCGKSA-N 1 0 354.516 2.640 20 10 FFCDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756854421 736367280 /nfs/dbraw/zinc/36/72/80/736367280.db2.gz FCOYBZOTRBNWBC-CFVMTHIKSA-N 1 0 352.450 2.847 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)ccc1O ZINC000761497859 736740708 /nfs/dbraw/zinc/74/07/08/736740708.db2.gz BUTGCAODKXLVEZ-ZFWWWQNUSA-N 1 0 358.276 2.983 20 10 FFCDRO CCOc1cccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)n1 ZINC000763107354 736902733 /nfs/dbraw/zinc/90/27/33/736902733.db2.gz IBIHLNOSAVZZAT-KAMYIIQDSA-N 1 0 363.508 2.776 20 10 FFCDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000764905224 737061329 /nfs/dbraw/zinc/06/13/29/737061329.db2.gz SIEXTRTWEOAVTJ-INIZCTEOSA-N 1 0 353.532 2.609 20 10 FFCDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765981518 737180378 /nfs/dbraw/zinc/18/03/78/737180378.db2.gz WAQFCAPVYZAUFA-SFHVURJKSA-N 1 0 350.528 2.980 20 10 FFCDRO O[C@H]([C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000769381701 737522456 /nfs/dbraw/zinc/52/24/56/737522456.db2.gz QHJPQHBFIAYMSN-JKSUJKDBSA-N 1 0 362.367 2.550 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1 ZINC000769388554 737523581 /nfs/dbraw/zinc/52/35/81/737523581.db2.gz BEZCVXOEFWAJJE-UHFFFAOYSA-N 1 0 367.559 2.827 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1F ZINC000770435497 737627172 /nfs/dbraw/zinc/62/71/72/737627172.db2.gz QODFORZDUOGMQV-UHFFFAOYSA-N 1 0 350.482 2.813 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1nccs1 ZINC000770682750 737652687 /nfs/dbraw/zinc/65/26/87/737652687.db2.gz PDQJSKPIAPOZDF-UHFFFAOYSA-N 1 0 356.495 2.605 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(N(C)C)cc1 ZINC000772951741 737858724 /nfs/dbraw/zinc/85/87/24/737858724.db2.gz XTZPVHRWMZLCBP-CYBMUJFWSA-N 1 0 367.540 2.915 20 10 FFCDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773026484 737864470 /nfs/dbraw/zinc/86/44/70/737864470.db2.gz NASKPMKNYKMXKI-CABCVRRESA-N 1 0 356.894 2.879 20 10 FFCDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000773426983 737905262 /nfs/dbraw/zinc/90/52/62/737905262.db2.gz PMWZBQNAEYRWQD-UHFFFAOYSA-N 1 0 370.858 2.586 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921586011 738008623 /nfs/dbraw/zinc/00/86/23/738008623.db2.gz VHDVNZBCJDCTHR-CQSZACIVSA-N 1 0 360.479 2.771 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1 ZINC000775013280 738053006 /nfs/dbraw/zinc/05/30/06/738053006.db2.gz UJSHPPBTALOBSX-QGZVFWFLSA-N 1 0 358.507 2.815 20 10 FFCDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000775661995 738110397 /nfs/dbraw/zinc/11/03/97/738110397.db2.gz BTQTZASWMAFMEI-KGLIPLIRSA-N 1 0 354.878 2.717 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000776014209 738152177 /nfs/dbraw/zinc/15/21/77/738152177.db2.gz QKRVXNLGKDIBFA-KGLIPLIRSA-N 1 0 372.259 2.697 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1F ZINC000922678704 738183507 /nfs/dbraw/zinc/18/35/07/738183507.db2.gz GIJFRCQXMIXTRS-UHFFFAOYSA-N 1 0 350.459 2.628 20 10 FFCDRO CS[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1[NH+]1CCCC1 ZINC000776486943 738199135 /nfs/dbraw/zinc/19/91/35/738199135.db2.gz VDGOOZNPHQJEGA-IAGOWNOFSA-N 1 0 352.475 2.746 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922813560 738204984 /nfs/dbraw/zinc/20/49/84/738204984.db2.gz WCORFOZOBXDCLJ-LBPRGKRZSA-N 1 0 356.260 2.973 20 10 FFCDRO COc1c(C)[nH]cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)c1=O ZINC000931326672 739245850 /nfs/dbraw/zinc/24/58/50/739245850.db2.gz UFIJPJZAGXKXQB-UHFFFAOYSA-N 1 0 364.829 2.886 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+](C(C)(C)CO)CC2)c(C(F)(F)F)c1 ZINC000792827149 739710718 /nfs/dbraw/zinc/71/07/18/739710718.db2.gz NHGPNKDUOFJWRX-UHFFFAOYSA-N 1 0 359.436 2.660 20 10 FFCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)C1 ZINC000793588289 739796570 /nfs/dbraw/zinc/79/65/70/739796570.db2.gz IPINGQNJHFIRPX-ZIAGYGMSSA-N 1 0 359.436 2.658 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793694833 739805833 /nfs/dbraw/zinc/80/58/33/739805833.db2.gz HFWOCFZTYMLRQM-ZDUSSCGKSA-N 1 0 355.500 2.565 20 10 FFCDRO CC[C@](C)(OC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795185723 739979480 /nfs/dbraw/zinc/97/94/80/739979480.db2.gz HNUHEAUFDBLLET-QAPCUYQASA-N 1 0 354.878 2.941 20 10 FFCDRO CC[C@](C)(OC)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000795185724 739979518 /nfs/dbraw/zinc/97/95/18/739979518.db2.gz HNUHEAUFDBLLET-YJBOKZPZSA-N 1 0 354.878 2.941 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1C(C)C ZINC000795669313 740050581 /nfs/dbraw/zinc/05/05/81/740050581.db2.gz DLKNPFQCTVBIPO-UHFFFAOYSA-N 1 0 354.516 2.585 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000797071386 740209214 /nfs/dbraw/zinc/20/92/14/740209214.db2.gz SGKDVZWHFJCWMQ-UWVGGRQHSA-N 1 0 362.289 2.771 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(O)c1 ZINC000798955963 740376950 /nfs/dbraw/zinc/37/69/50/740376950.db2.gz AWWZROKBLSBKAN-UHFFFAOYSA-N 1 0 360.376 2.681 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000798964242 740378076 /nfs/dbraw/zinc/37/80/76/740378076.db2.gz NVGHQOJAJYVDCQ-IBGZPJMESA-N 1 0 352.450 2.683 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000800971831 740574194 /nfs/dbraw/zinc/57/41/94/740574194.db2.gz VRCVFRVPUXGAKQ-HKUYNNGSSA-N 1 0 368.518 2.929 20 10 FFCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1O ZINC000802656108 740715862 /nfs/dbraw/zinc/71/58/62/740715862.db2.gz DIHCLWJDFNCICI-UHFFFAOYSA-N 1 0 372.849 2.561 20 10 FFCDRO C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1=CC[N@H+](C)CC1 ZINC000805277239 740956114 /nfs/dbraw/zinc/95/61/14/740956114.db2.gz RVHFJSIOVOXZCZ-LLVKDONJSA-N 1 0 368.275 2.604 20 10 FFCDRO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(Br)ccc1O ZINC000806179289 741045397 /nfs/dbraw/zinc/04/53/97/741045397.db2.gz QNPUUHSQOJHEPM-WCQYABFASA-N 1 0 351.244 2.976 20 10 FFCDRO CCOC1CC(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000807107178 741111096 /nfs/dbraw/zinc/11/10/96/741111096.db2.gz GQIQJZVHSKQIEJ-BLDCVEFLSA-N 1 0 366.889 2.941 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)cc(C)c1O)CC2 ZINC000808706174 741254346 /nfs/dbraw/zinc/25/43/46/741254346.db2.gz DTRDONNORWNRFN-WCQYABFASA-N 1 0 350.850 2.758 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)c1O ZINC000808706699 741254377 /nfs/dbraw/zinc/25/43/77/741254377.db2.gz RLUVYAXCKWVQLW-DOMZBBRYSA-N 1 0 362.861 2.934 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810210074 741398101 /nfs/dbraw/zinc/39/81/01/741398101.db2.gz MUMUTJMPATVHLD-GXFFZTMASA-N 1 0 351.390 2.886 20 10 FFCDRO CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1O ZINC000810239024 741400225 /nfs/dbraw/zinc/40/02/25/741400225.db2.gz QCQLLAIJWHTNOX-CYBMUJFWSA-N 1 0 351.390 2.886 20 10 FFCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000814301615 741810649 /nfs/dbraw/zinc/81/06/49/741810649.db2.gz YOMFPDGMIXOTCW-LLVKDONJSA-N 1 0 373.291 2.805 20 10 FFCDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815558583 741945249 /nfs/dbraw/zinc/94/52/49/741945249.db2.gz IDJQIGBTXOACOI-OAHLLOKOSA-N 1 0 354.516 2.864 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cc(F)c[nH]1 ZINC000815835135 741964603 /nfs/dbraw/zinc/96/46/03/741964603.db2.gz KVVJZLNTVKNRGT-AWEZNQCLSA-N 1 0 351.809 2.907 20 10 FFCDRO C[C@@H]1C[C@H](C)N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000817860667 742218412 /nfs/dbraw/zinc/21/84/12/742218412.db2.gz RARLPTPIDNMSIJ-IPYPFGDCSA-N 1 0 358.511 2.762 20 10 FFCDRO COC[C@]1(CN[C@@H](C)c2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000817974287 742225989 /nfs/dbraw/zinc/22/59/89/742225989.db2.gz KODVWQRITBWDJM-BLLLJJGKSA-N 1 0 357.292 2.882 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1Cl ZINC000824576010 743109135 /nfs/dbraw/zinc/10/91/35/743109135.db2.gz XEJJEWJTLFTBIC-AWEZNQCLSA-N 1 0 360.907 2.648 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824654141 743122972 /nfs/dbraw/zinc/12/29/72/743122972.db2.gz KUKKAHPKHTWYGM-MAZHCROVSA-N 1 0 370.287 2.825 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655206 743124623 /nfs/dbraw/zinc/12/46/23/743124623.db2.gz VARNBWDFJPIVFG-DFBGVHRSSA-N 1 0 356.260 2.517 20 10 FFCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000824703216 743131132 /nfs/dbraw/zinc/13/11/32/743131132.db2.gz YJIDNZSXSGXCNF-NEPJUHHUSA-N 1 0 358.232 2.595 20 10 FFCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000825070291 743205715 /nfs/dbraw/zinc/20/57/15/743205715.db2.gz ATOLCCZMMGKHQU-OAHLLOKOSA-N 1 0 357.292 2.601 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000825126414 743215387 /nfs/dbraw/zinc/21/53/87/743215387.db2.gz QKYMPPCEQSZFKR-AWEZNQCLSA-N 1 0 363.259 2.703 20 10 FFCDRO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1O ZINC000825338751 743251651 /nfs/dbraw/zinc/25/16/51/743251651.db2.gz UGVZBUZWFKNRTM-AWEZNQCLSA-N 1 0 352.228 2.987 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)cc1Cl ZINC000825376017 743258501 /nfs/dbraw/zinc/25/85/01/743258501.db2.gz USSKROIDBGFEJP-GFCCVEGCSA-N 1 0 350.768 2.997 20 10 FFCDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000825629497 743303485 /nfs/dbraw/zinc/30/34/85/743303485.db2.gz XWGLZIOHKQUZFV-HOCLYGCPSA-N 1 0 358.276 2.810 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(C(F)(F)F)c1 ZINC000826852005 743455956 /nfs/dbraw/zinc/45/59/56/743455956.db2.gz JOQVPLBZZNKFCO-CYBMUJFWSA-N 1 0 353.392 2.885 20 10 FFCDRO C[C@@H]([NH2+]C1CC1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828359480 745059161 /nfs/dbraw/zinc/05/91/61/745059161.db2.gz VTOOBZFLXFGNKI-GFCCVEGCSA-N 1 0 353.413 2.514 20 10 FFCDRO C[C@@H]1C[C@H](N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)CC[N@@H+]1C ZINC000830350344 745341649 /nfs/dbraw/zinc/34/16/49/745341649.db2.gz ACCVTWNTOBFJOJ-CZUORRHYSA-N 1 0 358.511 2.871 20 10 FFCDRO [NH3+]CC1(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000830665382 745400996 /nfs/dbraw/zinc/40/09/96/745400996.db2.gz VXZFTCCTQHTGBZ-CYBMUJFWSA-N 1 0 353.413 2.502 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831241354 745505013 /nfs/dbraw/zinc/50/50/13/745505013.db2.gz QYOWUEBPEIHCOP-MLGOLLRUSA-N 1 0 356.495 2.529 20 10 FFCDRO CSC(C)(C)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000831561659 745546515 /nfs/dbraw/zinc/54/65/15/745546515.db2.gz RHSSNANUNAPTDI-UHFFFAOYSA-N 1 0 361.555 2.976 20 10 FFCDRO Cc1nc(CC2CC2)sc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284384 745671494 /nfs/dbraw/zinc/67/14/94/745671494.db2.gz KAZNETLYIWHHBN-INIZCTEOSA-N 1 0 358.511 2.900 20 10 FFCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838961877 746745909 /nfs/dbraw/zinc/74/59/09/746745909.db2.gz YMROIPUWWBZABR-OAHLLOKOSA-N 1 0 371.319 2.926 20 10 FFCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838979352 746749254 /nfs/dbraw/zinc/74/92/54/746749254.db2.gz NFMWSZRQKVDMIR-LBPRGKRZSA-N 1 0 354.292 2.793 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839173948 746793732 /nfs/dbraw/zinc/79/37/32/746793732.db2.gz AWBHLJJOCHKDNY-UHFFFAOYSA-N 1 0 362.289 2.511 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CC1(C)C ZINC000840724417 747167436 /nfs/dbraw/zinc/16/74/36/747167436.db2.gz VUFKHTJDWQFRIS-ROUUACIJSA-N 1 0 350.528 2.836 20 10 FFCDRO Cc1cc(O)c(C[NH2+]CCNC(=O)Cc2cccc(F)c2)c(Cl)c1 ZINC000840886345 747212718 /nfs/dbraw/zinc/21/27/18/747212718.db2.gz CQCNPSPSBDHWHB-UHFFFAOYSA-N 1 0 350.821 2.942 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000840888146 747213470 /nfs/dbraw/zinc/21/34/70/747213470.db2.gz AIRZOBUPVGPIFN-SNVBAGLBSA-N 1 0 350.278 2.630 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000840888439 747213530 /nfs/dbraw/zinc/21/35/30/747213530.db2.gz KGVHTRJJZBIWAZ-SNVBAGLBSA-N 1 0 350.278 2.630 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1O ZINC000840971463 747246853 /nfs/dbraw/zinc/24/68/53/747246853.db2.gz MXPLQJHDELKYDK-MFKMUULPSA-N 1 0 366.202 2.802 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000840975192 747248627 /nfs/dbraw/zinc/24/86/27/747248627.db2.gz DTURPXQURHLZMZ-VDZJLULYSA-N 1 0 352.544 2.937 20 10 FFCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000840975609 747249101 /nfs/dbraw/zinc/24/91/01/747249101.db2.gz PLZYMHVLOFWNFI-INIZCTEOSA-N 1 0 372.259 2.938 20 10 FFCDRO [NH3+]C1(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])CCC1 ZINC000841048851 747260439 /nfs/dbraw/zinc/26/04/39/747260439.db2.gz MDCQFVWIBPAOFY-UHFFFAOYSA-N 1 0 364.081 2.888 20 10 FFCDRO Brc1cc(C[NH2+]C[C@H]2CNCCO2)ccc1N1CCCCC1 ZINC000841101331 747269705 /nfs/dbraw/zinc/26/97/05/747269705.db2.gz TYHMESBRMQQJSV-OAHLLOKOSA-N 1 0 368.319 2.517 20 10 FFCDRO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000841104025 747270147 /nfs/dbraw/zinc/27/01/47/747270147.db2.gz MPHIASWJVJCRGE-GOEBONIOSA-N 1 0 369.849 2.672 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000841856417 747477341 /nfs/dbraw/zinc/47/73/41/747477341.db2.gz JHISLFKWQVIALU-KBPBESRZSA-N 1 0 354.545 2.656 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841921079 747486453 /nfs/dbraw/zinc/48/64/53/747486453.db2.gz OUBVRVXWBKICIT-AWEZNQCLSA-N 1 0 370.291 2.828 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1CC[NH2+]CC1 ZINC000841924445 747487020 /nfs/dbraw/zinc/48/70/20/747487020.db2.gz SVOXFTWXKLBIGD-UHFFFAOYSA-N 1 0 370.291 2.686 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841982394 747496062 /nfs/dbraw/zinc/49/60/62/747496062.db2.gz BFYSVQFYJGGUAL-KGLIPLIRSA-N 1 0 370.291 2.956 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003159 747500065 /nfs/dbraw/zinc/50/00/65/747500065.db2.gz IMLLUPIYKRBPMO-MRXNPFEDSA-N 1 0 354.445 2.670 20 10 FFCDRO CC(C)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000842785625 747687359 /nfs/dbraw/zinc/68/73/59/747687359.db2.gz JMGVREUPDALGQH-LJQANCHMSA-N 1 0 361.511 2.854 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(O)c1C ZINC000842883218 747713175 /nfs/dbraw/zinc/71/31/75/747713175.db2.gz LNGCWPORIBTJIG-CABCVRRESA-N 1 0 361.463 2.895 20 10 FFCDRO COc1cc(Br)cc(CN[C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843129560 747778406 /nfs/dbraw/zinc/77/84/06/747778406.db2.gz WEYZIOMHRBTQCG-CQSZACIVSA-N 1 0 355.276 2.928 20 10 FFCDRO CCC[C@@H](C)S(=O)(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000845851563 748337597 /nfs/dbraw/zinc/33/75/97/748337597.db2.gz GQMGPAXWBBKWIA-OAHLLOKOSA-N 1 0 371.522 2.576 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1O ZINC000846145361 748415229 /nfs/dbraw/zinc/41/52/29/748415229.db2.gz NNEHBDBCKQBUFI-RYUDHWBXSA-N 1 0 353.365 2.770 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000846184355 748425563 /nfs/dbraw/zinc/42/55/63/748425563.db2.gz KZYNATFFIDUKDR-GDBMZVCRSA-N 1 0 369.506 2.501 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1 ZINC000846689568 748524721 /nfs/dbraw/zinc/52/47/21/748524721.db2.gz NOEGZONLOFUMKI-LIRRHRJNSA-N 1 0 356.495 2.517 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000848530574 748951472 /nfs/dbraw/zinc/95/14/72/748951472.db2.gz BHAWTXMFWISLSI-XPTSAGLGSA-N 1 0 362.289 2.682 20 10 FFCDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848534220 748953049 /nfs/dbraw/zinc/95/30/49/748953049.db2.gz PTRPYFPBCIXDEV-WDEREUQCSA-N 1 0 362.264 2.865 20 10 FFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848547109 748956296 /nfs/dbraw/zinc/95/62/96/748956296.db2.gz KANJZSZBDFQMBA-UWVGGRQHSA-N 1 0 359.264 2.681 20 10 FFCDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848551000 748957247 /nfs/dbraw/zinc/95/72/47/748957247.db2.gz BKOBITIILSTDCX-CMPLNLGQSA-N 1 0 362.264 2.865 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)OCCO)c1O ZINC000848550124 748957541 /nfs/dbraw/zinc/95/75/41/748957541.db2.gz DBNJFLOLILXQIV-JTQLQIEISA-N 1 0 362.264 2.601 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000848552654 748957948 /nfs/dbraw/zinc/95/79/48/748957948.db2.gz FKKKLDOWGXQYLE-FIXISWKDSA-N 1 0 374.275 2.865 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000848552656 748958070 /nfs/dbraw/zinc/95/80/70/748958070.db2.gz FKKKLDOWGXQYLE-RWSFTLGLSA-N 1 0 374.275 2.865 20 10 FFCDRO CCc1cccc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000848888234 749029784 /nfs/dbraw/zinc/02/97/84/749029784.db2.gz PIPOIOMPFQOMIS-UHFFFAOYSA-N 1 0 362.495 2.673 20 10 FFCDRO COc1cc(C[NH2+][C@@H](CCO)C2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850246588 749327768 /nfs/dbraw/zinc/32/77/68/749327768.db2.gz HCOIARAWYFXURM-SFHVURJKSA-N 1 0 351.487 2.966 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850365076 749353414 /nfs/dbraw/zinc/35/34/14/749353414.db2.gz AOVGXRLRIHPMHA-LLVKDONJSA-N 1 0 352.175 2.677 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850369084 749354297 /nfs/dbraw/zinc/35/42/97/749354297.db2.gz HEMVQNARTLONBV-OCCSQVGLSA-N 1 0 355.500 2.754 20 10 FFCDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCOC1 ZINC000850484258 749371052 /nfs/dbraw/zinc/37/10/52/749371052.db2.gz FXUGHVLAZCZSFL-QMTMVMCOSA-N 1 0 368.905 2.879 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000850520141 749381414 /nfs/dbraw/zinc/38/14/14/749381414.db2.gz SKOUEHHHJFEKCW-NSHDSACASA-N 1 0 365.417 2.899 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000853529642 750084426 /nfs/dbraw/zinc/08/44/26/750084426.db2.gz BUJCFZMIMFMZEA-OLZOCXBDSA-N 1 0 361.360 2.883 20 10 FFCDRO O=C1N(Cc2ncccn2)CC[C@]12CCC[N@H+]2Cc1c(O)cccc1Cl ZINC001275837639 1013067331 /nfs/dbraw/zinc/06/73/31/1013067331.db2.gz KVXJVRIWUNENOA-LJQANCHMSA-N 1 0 372.856 2.603 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3[nH]cnc3C)C[C@H]2C)cc1C ZINC001105118334 971554670 /nfs/dbraw/zinc/55/46/70/971554670.db2.gz OOZQCTUOIDWMRM-CRAIPNDOSA-N 1 0 370.497 2.923 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c(O)c1OC ZINC000893332920 971624712 /nfs/dbraw/zinc/62/47/12/971624712.db2.gz FLEPNMVKKFGOFP-MRXNPFEDSA-N 1 0 356.426 2.939 20 10 FFCDRO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(OC)c(OC)c2O)cc1 ZINC000893333900 971627082 /nfs/dbraw/zinc/62/70/82/971627082.db2.gz VAYVFZRJDJPKSO-UHFFFAOYSA-N 1 0 360.410 2.536 20 10 FFCDRO CCOCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275895035 1013152936 /nfs/dbraw/zinc/15/29/36/1013152936.db2.gz XGPVYNSYEGJDMH-INIZCTEOSA-N 1 0 366.889 2.800 20 10 FFCDRO COC(C)(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001275895704 1013155852 /nfs/dbraw/zinc/15/58/52/1013155852.db2.gz NKQLSRRRSYRQLB-LJQANCHMSA-N 1 0 366.889 2.895 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)cc1C ZINC001020386089 958808967 /nfs/dbraw/zinc/80/89/67/958808967.db2.gz HYBTXWWFRPWQOP-ZJSJBZJDSA-N 1 0 358.482 2.700 20 10 FFCDRO Cc1n[nH]cc1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000683465463 960781021 /nfs/dbraw/zinc/78/10/21/960781021.db2.gz UIMWAASXXJULQF-UHFFFAOYSA-N 1 0 365.481 2.756 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)c(C)c2)C1=O ZINC001275951454 1013220280 /nfs/dbraw/zinc/22/02/80/1013220280.db2.gz JUGMNYDQXFGNCO-IIBYNOLFSA-N 1 0 357.498 2.605 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000773395312 1013276761 /nfs/dbraw/zinc/27/67/61/1013276761.db2.gz FHGXEHZXGOCWOF-JFIYKMOQSA-N 1 0 352.434 2.647 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1Cn1cccn1 ZINC000873013030 1013348080 /nfs/dbraw/zinc/34/80/80/1013348080.db2.gz QZTGMSGFKKDUNB-SFHVURJKSA-N 1 0 351.454 2.841 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc3ncccc3o2)[NH+](C)C)cc1 ZINC000891243105 962539377 /nfs/dbraw/zinc/53/93/77/962539377.db2.gz HSOXPUMIHZERKA-QGZVFWFLSA-N 1 0 352.438 2.927 20 10 FFCDRO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccc(O)c1 ZINC000891246092 962563975 /nfs/dbraw/zinc/56/39/75/962563975.db2.gz MBHZFTJWEYSDNO-QRWLVFNGSA-N 1 0 355.482 2.981 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)[NH+](C)C)cc1 ZINC000891247901 962580215 /nfs/dbraw/zinc/58/02/15/962580215.db2.gz ISZMKMUKMZDYNF-HCSGDKDASA-N 1 0 369.465 2.596 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(Cn4cncn4)cc3)cc2)CC1 ZINC001167431062 963083709 /nfs/dbraw/zinc/08/37/09/963083709.db2.gz FAOPISVAYFZROC-UHFFFAOYSA-N 1 0 362.481 2.690 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3[nH]c4coc(=O)c-4cc3Cl)cc2)CC1 ZINC001167431071 963084299 /nfs/dbraw/zinc/08/42/99/963084299.db2.gz FRWAMTRDRXUZHF-UHFFFAOYSA-N 1 0 372.856 2.769 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(-c4cncs4)n3)cc2)CC1 ZINC001167431362 963094642 /nfs/dbraw/zinc/09/46/42/963094642.db2.gz VKYKJTGQHHUVMX-UHFFFAOYSA-N 1 0 366.494 2.964 20 10 FFCDRO CN(C)C(=O)Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001167434520 963180357 /nfs/dbraw/zinc/18/03/57/963180357.db2.gz NVDNMNBTDIWZKC-UHFFFAOYSA-N 1 0 366.509 2.681 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cccc4c3NC(=O)NC4)cc2)CC1 ZINC001167436867 963263304 /nfs/dbraw/zinc/26/33/04/963263304.db2.gz DFWOINWTULXTAO-UHFFFAOYSA-N 1 0 351.454 2.686 20 10 FFCDRO CCOC(=O)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cnc1F ZINC001167437648 963283879 /nfs/dbraw/zinc/28/38/79/963283879.db2.gz XBCSPIDULRUEDY-UHFFFAOYSA-N 1 0 372.444 2.761 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2cc[nH]n2)cc1C ZINC001087140348 963318128 /nfs/dbraw/zinc/31/81/28/963318128.db2.gz VBTQIHPUAUFRBG-BEFAXECRSA-N 1 0 370.497 2.686 20 10 FFCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccnc1 ZINC000891594672 964536045 /nfs/dbraw/zinc/53/60/45/964536045.db2.gz NVYBACRWDYJISZ-HNAYVOBHSA-N 1 0 355.486 2.811 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1OC ZINC000891631599 964657960 /nfs/dbraw/zinc/65/79/60/964657960.db2.gz QWQDMCNALVTDQX-UHFFFAOYSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cccc(C[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)c1O ZINC000894458032 965381907 /nfs/dbraw/zinc/38/19/07/965381907.db2.gz LONGOFSDNQTQFK-UHFFFAOYSA-N 1 0 362.430 2.771 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000176092407 965417292 /nfs/dbraw/zinc/41/72/92/965417292.db2.gz QCJWCRZSXRKSBR-PKOBYXMFSA-N 1 0 374.529 2.836 20 10 FFCDRO Cc1cccc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000894518972 965445371 /nfs/dbraw/zinc/44/53/71/965445371.db2.gz VZIWNRIVSSBVAG-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)c1O ZINC000894554124 965476068 /nfs/dbraw/zinc/47/60/68/965476068.db2.gz VCBPFAASSVKTAN-SFHVURJKSA-N 1 0 354.450 2.908 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c(O)c1OC ZINC000894758789 965673609 /nfs/dbraw/zinc/67/36/09/965673609.db2.gz RYGHUVISYOKHJW-ZIAGYGMSSA-N 1 0 370.449 2.865 20 10 FFCDRO C[C@H](c1ccccc1)[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccccc1O ZINC000176680527 966599705 /nfs/dbraw/zinc/59/97/05/966599705.db2.gz SWEGPMLSFGZBIG-OAHLLOKOSA-N 1 0 367.449 2.944 20 10 FFCDRO CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000895211185 968473435 /nfs/dbraw/zinc/47/34/35/968473435.db2.gz YJLZUBDRLUQAAB-CRAIPNDOSA-N 1 0 372.517 2.632 20 10 FFCDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(O)c1O ZINC000179460937 968796867 /nfs/dbraw/zinc/79/68/67/968796867.db2.gz TVZUMJHNZKTDPK-UHFFFAOYSA-N 1 0 364.392 2.888 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc1 ZINC000177808275 969347806 /nfs/dbraw/zinc/34/78/06/969347806.db2.gz SXQDRZXMOQSNIO-SJORKVTESA-N 1 0 372.513 2.542 20 10 FFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H](O)c1ccccc1 ZINC000122629417 970547989 /nfs/dbraw/zinc/54/79/89/970547989.db2.gz JECJZLHIUGPEQH-IEBWSBKVSA-N 1 0 374.868 2.860 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C2C[NH+](C3CCOCC3)C2)cc1 ZINC000895492941 970668596 /nfs/dbraw/zinc/66/85/96/970668596.db2.gz CPEVKQSMEDANST-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccnc3C(F)F)cc2)CC1 ZINC000893607306 975904041 /nfs/dbraw/zinc/90/40/41/975904041.db2.gz FSRRPHUWANAGSB-UHFFFAOYSA-N 1 0 360.408 2.701 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)N(C)C)cc1 ZINC000898448795 976460065 /nfs/dbraw/zinc/46/00/65/976460065.db2.gz XGSZZIYERUDCFK-LJQANCHMSA-N 1 0 353.470 2.727 20 10 FFCDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876627326 1014332139 /nfs/dbraw/zinc/33/21/39/1014332139.db2.gz QNZXQPIXUYZSJD-SFHVURJKSA-N 1 0 354.498 2.761 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccccn2)[NH+](C)C)cc1 ZINC000899101282 976910947 /nfs/dbraw/zinc/91/09/47/976910947.db2.gz HZKOSBNNXZPBNQ-LJQANCHMSA-N 1 0 355.486 2.592 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCCOC3)[NH+](C)C)cc1 ZINC000899098052 976922021 /nfs/dbraw/zinc/92/20/21/976922021.db2.gz LAIZWIONDILTRF-FPOVZHCZSA-N 1 0 374.529 2.567 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899448842 977157423 /nfs/dbraw/zinc/15/74/23/977157423.db2.gz UGFQEOFHJRITPN-JKSUJKDBSA-N 1 0 370.424 2.831 20 10 FFCDRO COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC000962337915 1014397197 /nfs/dbraw/zinc/39/71/97/1014397197.db2.gz CRLFUAIOYJIPED-BRDNKTQISA-N 1 0 358.482 2.556 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]CCC3CCOCC3)CC2)cc1 ZINC000876900228 1014414145 /nfs/dbraw/zinc/41/41/45/1014414145.db2.gz GOFFRBBETAWLRG-UHFFFAOYSA-N 1 0 361.530 2.614 20 10 FFCDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000178671842 977698974 /nfs/dbraw/zinc/69/89/74/977698974.db2.gz XPKKKBARDFLEHO-IBGZPJMESA-N 1 0 372.557 2.882 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](C)[C@@H]3C)cc2F)CC1 ZINC000178672005 977705235 /nfs/dbraw/zinc/70/52/35/977705235.db2.gz YXHZBLXWFIDPIA-CVEARBPZSA-N 1 0 362.493 2.908 20 10 FFCDRO CN(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000876963131 1014435020 /nfs/dbraw/zinc/43/50/20/1014435020.db2.gz CJCVWJQUKCTWME-UHFFFAOYSA-N 1 0 353.510 2.869 20 10 FFCDRO COc1ccc(OC)c(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876977840 1014438668 /nfs/dbraw/zinc/43/86/68/1014438668.db2.gz AGVHFRBYJDSMAB-UHFFFAOYSA-N 1 0 370.493 2.997 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)c1O ZINC000894139377 977956735 /nfs/dbraw/zinc/95/67/35/977956735.db2.gz SSDDUOUKXYCXJS-FQEVSTJZSA-N 1 0 369.509 2.788 20 10 FFCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000729325166 978240528 /nfs/dbraw/zinc/24/05/28/978240528.db2.gz PTVAARSEZIAYEZ-UHFFFAOYSA-N 1 0 363.477 2.545 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](O)Cc1ccccc1 ZINC000877117059 1014479258 /nfs/dbraw/zinc/47/92/58/1014479258.db2.gz ZYMKGAZAZYVTSM-HTAPYJJXSA-N 1 0 354.494 2.729 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)c1 ZINC000877532005 1014615180 /nfs/dbraw/zinc/61/51/80/1014615180.db2.gz BADQFGLEIYNHFF-LBPRGKRZSA-N 1 0 361.442 2.940 20 10 FFCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1F ZINC000877611784 1014645875 /nfs/dbraw/zinc/64/58/75/1014645875.db2.gz ZTUQSKHSHHQGNS-VFNWGFHPSA-N 1 0 358.457 2.999 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000906419782 980653967 /nfs/dbraw/zinc/65/39/67/980653967.db2.gz OHUCCSSNXCUHPT-IEBWSBKVSA-N 1 0 359.514 2.822 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000842016543 982577770 /nfs/dbraw/zinc/57/77/70/982577770.db2.gz XNUWFGRDUNUSQE-RCCFBDPRSA-N 1 0 356.514 2.815 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]([NH+]4CCC4)C3)ccc21 ZINC000912917697 984146172 /nfs/dbraw/zinc/14/61/72/984146172.db2.gz MCTYWQZPSZEHRC-SFHVURJKSA-N 1 0 355.482 2.825 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C)CC2(C)C)cc1C ZINC000996321061 984310760 /nfs/dbraw/zinc/31/07/60/984310760.db2.gz ZLJXGPVWJGSXSG-ZMYBRWDISA-N 1 0 360.498 2.755 20 10 FFCDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cn2)CCO1 ZINC000921532321 985198313 /nfs/dbraw/zinc/19/83/13/985198313.db2.gz FZOOLLZGLFCVNG-INIZCTEOSA-N 1 0 353.466 2.922 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001232976520 986349748 /nfs/dbraw/zinc/34/97/48/986349748.db2.gz SAKBYPUVOCHESJ-HNNXBMFYSA-N 1 0 373.234 2.999 20 10 FFCDRO O=C(NCc1c(O)cccc1F)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000922263674 988282569 /nfs/dbraw/zinc/28/25/69/988282569.db2.gz DWNDTEBEQTWSLS-MRXNPFEDSA-N 1 0 357.429 2.853 20 10 FFCDRO O[C@H]1C[C@](C[NH2+]Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)C1 ZINC000922530265 988673728 /nfs/dbraw/zinc/67/37/28/988673728.db2.gz WMPQYMUDZUAIKF-HZCBDIJESA-N 1 0 352.478 2.706 20 10 FFCDRO Cc1cc(CC[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nn1C ZINC000922689709 988820985 /nfs/dbraw/zinc/82/09/85/988820985.db2.gz MIHROLSGLHCHTH-UHFFFAOYSA-N 1 0 357.458 2.959 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2F)C[C@H](C)O1 ZINC000763023425 988976787 /nfs/dbraw/zinc/97/67/87/988976787.db2.gz BCBKIXWEDXXNBI-GJZGRUSLSA-N 1 0 363.477 2.540 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1F ZINC000796501706 1015522815 /nfs/dbraw/zinc/52/28/15/1015522815.db2.gz YZPRKAZOLOTIBO-UHFFFAOYSA-N 1 0 355.413 2.668 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C=C3CCCC3)CC2)cc1 ZINC000917625186 990251229 /nfs/dbraw/zinc/25/12/29/990251229.db2.gz PYLABTFPVQBAQS-UHFFFAOYSA-N 1 0 357.498 2.824 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000155004916 990666064 /nfs/dbraw/zinc/66/60/64/990666064.db2.gz YIXFZQQWMXGLOV-FQEVSTJZSA-N 1 0 366.509 2.945 20 10 FFCDRO C[N@H+](Cc1cccc(I)c1[O-])[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217747 990703351 /nfs/dbraw/zinc/70/33/51/990703351.db2.gz QILLGGDYZQTWAZ-STQMWFEESA-N 1 0 360.239 2.699 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3cccc4c3OCCO4)cc2)CC1 ZINC000922945706 990760055 /nfs/dbraw/zinc/76/00/55/990760055.db2.gz WMHDHTDBTUZRLM-UHFFFAOYSA-N 1 0 368.477 2.751 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC(=O)N2CCOCC2)cc1 ZINC000181033580 991590861 /nfs/dbraw/zinc/59/08/61/991590861.db2.gz VZTNVMQZRFSUBH-UHFFFAOYSA-N 1 0 367.493 2.662 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[NH+]3CCC4(CCC4)CC3)CC2)cc1 ZINC000796514686 1015651047 /nfs/dbraw/zinc/65/10/47/1015651047.db2.gz FTJCHXJXQQJORU-UHFFFAOYSA-N 1 0 357.498 2.610 20 10 FFCDRO CC1CCC(N(C)C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000071004498 992370837 /nfs/dbraw/zinc/37/08/37/992370837.db2.gz GOPWPIJCDMFNEN-UHFFFAOYSA-N 1 0 373.541 2.992 20 10 FFCDRO C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001081026154 993554094 /nfs/dbraw/zinc/55/40/94/993554094.db2.gz QAIQXZOOZPMZQZ-ZWNOBZJWSA-N 1 0 371.363 2.852 20 10 FFCDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000808422046 994116946 /nfs/dbraw/zinc/11/69/46/994116946.db2.gz FDOKIKOIYFNCTD-GFCCVEGCSA-N 1 0 374.359 2.544 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000747533360 994304728 /nfs/dbraw/zinc/30/47/28/994304728.db2.gz YXDDSHBUYNXLOD-NRFANRHFSA-N 1 0 359.514 2.604 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001593220741 994314811 /nfs/dbraw/zinc/31/48/11/994314811.db2.gz USRORYOMIOAPFR-IFCGJNOESA-N 1 0 368.433 2.997 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000809567570 994541893 /nfs/dbraw/zinc/54/18/93/994541893.db2.gz JZIZLVYTOJKVSV-HXUWFJFHSA-N 1 0 366.509 2.986 20 10 FFCDRO Oc1ccc(F)cc1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000809700689 994573390 /nfs/dbraw/zinc/57/33/90/994573390.db2.gz MHQIBGUFXHNLPF-OAQYLSRUSA-N 1 0 369.484 2.923 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2C)cc1C ZINC001082425636 994600180 /nfs/dbraw/zinc/60/01/80/994600180.db2.gz BDONPKBZBQEWEB-DNVCBOLYSA-N 1 0 353.466 2.957 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@H]2C)cc1C ZINC001082431603 994610361 /nfs/dbraw/zinc/61/03/61/994610361.db2.gz LFIVQSRQGZORIS-BHIYHBOVSA-N 1 0 360.498 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2C)cc1C ZINC001082459474 994678999 /nfs/dbraw/zinc/67/89/99/994678999.db2.gz IGOSOKKKOGTDDZ-CXAGYDPISA-N 1 0 357.454 2.859 20 10 FFCDRO OC[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1c1ccccc1 ZINC000810165246 994713836 /nfs/dbraw/zinc/71/38/36/994713836.db2.gz MYUDDDSIWBXFGU-SIKLNZKXSA-N 1 0 370.468 2.918 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnccc3C)C[C@H]2C)cc1C ZINC001082568546 994964298 /nfs/dbraw/zinc/96/42/98/994964298.db2.gz CDYYDEPUUSVITI-YLJYHZDGSA-N 1 0 367.493 2.886 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)cc1C ZINC001082643461 995165013 /nfs/dbraw/zinc/16/50/13/995165013.db2.gz QRJAQWXYJVIHGX-CRAIPNDOSA-N 1 0 357.454 2.561 20 10 FFCDRO COc1ccc2c(c1)CCCCN2Cc1cnc(N2CCN(C)CC2)nc1 ZINC000811508484 995170942 /nfs/dbraw/zinc/17/09/42/995170942.db2.gz RYTZGPXHRZLKDB-UHFFFAOYSA-N 1 0 367.497 2.580 20 10 FFCDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825450091 997379955 /nfs/dbraw/zinc/37/99/55/997379955.db2.gz QGYYZMYONYGEQH-UHFFFAOYSA-N 1 0 358.413 2.893 20 10 FFCDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000730788730 997482343 /nfs/dbraw/zinc/48/23/43/997482343.db2.gz XYDZXRJHDVDJHW-SFHVURJKSA-N 1 0 355.482 2.853 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)NCCNc3cc[nH+]cc3)cc2)CC1 ZINC000731121439 997678332 /nfs/dbraw/zinc/67/83/32/997678332.db2.gz VZOQDHZJQUQMER-UHFFFAOYSA-N 1 0 367.497 2.651 20 10 FFCDRO C[C@H](NC(=O)[C@](C)([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000844177037 997694461 /nfs/dbraw/zinc/69/44/61/997694461.db2.gz YLQFLWWAAWPWSQ-HRAATJIYSA-N 1 0 353.466 2.575 20 10 FFCDRO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084860436 997703054 /nfs/dbraw/zinc/70/30/54/997703054.db2.gz PRAMNJIZQJLZDV-NVXWUHKLSA-N 1 0 355.442 2.962 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000844400482 997861633 /nfs/dbraw/zinc/86/16/33/997861633.db2.gz CJXQUTWZZJLDLU-UHFFFAOYSA-N 1 0 366.465 2.955 20 10 FFCDRO CCC[NH+]1CCC(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000845011649 998285910 /nfs/dbraw/zinc/28/59/10/998285910.db2.gz ASUMNQBUSDLQDR-UHFFFAOYSA-N 1 0 362.518 2.647 20 10 FFCDRO CC(=O)N1CCC([N@H+](C)Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306658 998302036 /nfs/dbraw/zinc/30/20/36/998302036.db2.gz LBMFOZHSKQZVHQ-UHFFFAOYSA-N 1 0 359.239 2.737 20 10 FFCDRO CCCCCC[N@H+](C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000731866092 998310241 /nfs/dbraw/zinc/31/02/41/998310241.db2.gz QSXQXDFBEWPARP-UHFFFAOYSA-N 1 0 361.530 2.994 20 10 FFCDRO COc1ccc(N2CC[NH+](CCNc3cc(C(C)C)ncn3)CC2)cc1 ZINC000731998499 998406915 /nfs/dbraw/zinc/40/69/15/998406915.db2.gz WYDDPJOWDQJGBE-UHFFFAOYSA-N 1 0 355.486 2.843 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2ncn(CC3CC3)c21 ZINC001144504213 998611778 /nfs/dbraw/zinc/61/17/78/998611778.db2.gz NTJZINKMJMWGLS-CQSZACIVSA-N 1 0 373.453 2.546 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514708 998626150 /nfs/dbraw/zinc/62/61/50/998626150.db2.gz PGEKKDUJQFMYCF-LBPRGKRZSA-N 1 0 352.431 2.683 20 10 FFCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001144515546 998627398 /nfs/dbraw/zinc/62/73/98/998627398.db2.gz BIZXZTSTWHGHOM-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732800104 998778531 /nfs/dbraw/zinc/77/85/31/998778531.db2.gz XNIVKXKZEJFQET-ZDUSSCGKSA-N 1 0 374.403 2.990 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cnc(C)cn2)cc1C ZINC001085123498 998990658 /nfs/dbraw/zinc/99/06/58/998990658.db2.gz DLIDGPIEYLAVNC-QZTJIDSGSA-N 1 0 368.481 2.933 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000740006327 999657162 /nfs/dbraw/zinc/65/71/62/999657162.db2.gz KFQHOXFIDPKBSU-RBBKRZOGSA-N 1 0 353.510 2.725 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000741258162 999717455 /nfs/dbraw/zinc/71/74/55/999717455.db2.gz LLBANMCQSYHAHQ-OAQYLSRUSA-N 1 0 356.466 2.518 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1F ZINC000742393159 999771968 /nfs/dbraw/zinc/77/19/68/999771968.db2.gz VQZBWLIFAYPAHV-KSSFIOAISA-N 1 0 373.476 2.689 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001086485176 999942285 /nfs/dbraw/zinc/94/22/85/999942285.db2.gz IDESZMZUXICRDF-VBEQINLCSA-N 1 0 358.482 2.556 20 10 FFCDRO C[C@H]1COCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000766854444 1000079969 /nfs/dbraw/zinc/07/99/69/1000079969.db2.gz IOERFTPYMLCBGH-LAUBAEHRSA-N 1 0 371.525 2.507 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)c(OC)c1 ZINC001169961049 1000090679 /nfs/dbraw/zinc/09/06/79/1000090679.db2.gz GYGCROSCOPUDIL-INIZCTEOSA-N 1 0 362.470 2.512 20 10 FFCDRO CC(C)C[C@H](O)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000768047516 1000176611 /nfs/dbraw/zinc/17/66/11/1000176611.db2.gz TUFXPBOBWAAUBW-KRWDZBQOSA-N 1 0 371.525 2.931 20 10 FFCDRO COc1cccc(O)c1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000846050257 1000197709 /nfs/dbraw/zinc/19/77/09/1000197709.db2.gz ZOKVHNJMUXISGA-DENIHFKCSA-N 1 0 368.477 2.876 20 10 FFCDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846112713 1000203799 /nfs/dbraw/zinc/20/37/99/1000203799.db2.gz WVSDGBCRJXZDRL-SFHVURJKSA-N 1 0 371.456 2.528 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)cc1 ZINC001096641634 1016394672 /nfs/dbraw/zinc/39/46/72/1016394672.db2.gz WHQJMDSJOKIMLE-IKGGRYGDSA-N 1 0 355.442 2.984 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)c1 ZINC000768451003 1000250077 /nfs/dbraw/zinc/25/00/77/1000250077.db2.gz LGKWEWLXTNDNHP-UHFFFAOYSA-N 1 0 353.466 2.997 20 10 FFCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)CC(F)(F)F ZINC000768464311 1000263246 /nfs/dbraw/zinc/26/32/46/1000263246.db2.gz PZUWEDDJAQCCPY-LRDDRELGSA-N 1 0 374.403 2.524 20 10 FFCDRO CCN(C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1)CC(F)(F)F ZINC000768464315 1000263406 /nfs/dbraw/zinc/26/34/06/1000263406.db2.gz PZUWEDDJAQCCPY-WBMJQRKESA-N 1 0 374.403 2.524 20 10 FFCDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000768675813 1000316429 /nfs/dbraw/zinc/31/64/29/1000316429.db2.gz LXXGDDPBEBIUEB-HNNXBMFYSA-N 1 0 351.450 2.917 20 10 FFCDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768942248 1000381188 /nfs/dbraw/zinc/38/11/88/1000381188.db2.gz XUAJSMAQDCYUPF-QGZVFWFLSA-N 1 0 358.461 2.775 20 10 FFCDRO CC1=NN(c2ccc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2)CC1 ZINC000846663365 1000408470 /nfs/dbraw/zinc/40/84/70/1000408470.db2.gz GVSUWXKOAJUWCZ-FQEVSTJZSA-N 1 0 365.481 2.768 20 10 FFCDRO COc1ccc2[nH]cc(CC(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c2c1 ZINC000846663260 1000408576 /nfs/dbraw/zinc/40/85/76/1000408576.db2.gz GUWBJPVMAQNXFZ-LJQANCHMSA-N 1 0 366.465 2.601 20 10 FFCDRO C[C@H](CO)[NH2+][C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000846701936 1000413538 /nfs/dbraw/zinc/41/35/38/1000413538.db2.gz JPUDGHIXPHCPLV-DYVFJYSZSA-N 1 0 352.394 2.704 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCC(=O)CC1 ZINC000769163599 1000452589 /nfs/dbraw/zinc/45/25/89/1000452589.db2.gz CDLPAWFQEYLJJA-UHFFFAOYSA-N 1 0 369.509 2.594 20 10 FFCDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1N1CCCCC1 ZINC000769383931 1000504974 /nfs/dbraw/zinc/50/49/74/1000504974.db2.gz OHJJIROYSZMRIU-KRWDZBQOSA-N 1 0 363.458 2.558 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC000691473570 1000620197 /nfs/dbraw/zinc/62/01/97/1000620197.db2.gz GUOGUEJEYAARQN-INIZCTEOSA-N 1 0 350.459 2.680 20 10 FFCDRO Oc1cc2c(cc1CNc1ccc(C[NH+]3CCC(O)CC3)cc1)OCO2 ZINC000770412806 1000775399 /nfs/dbraw/zinc/77/53/99/1000775399.db2.gz XJIDYDDTXJMNDY-UHFFFAOYSA-N 1 0 356.422 2.690 20 10 FFCDRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(O)c(O)c(O)c1 ZINC001148589740 1001176639 /nfs/dbraw/zinc/17/66/39/1001176639.db2.gz JHQSUFJGDPCUJB-OSYLJGHBSA-N 1 0 368.433 2.729 20 10 FFCDRO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CCCC1 ZINC000786221151 1001558903 /nfs/dbraw/zinc/55/89/03/1001558903.db2.gz QXBPBFBUZHZUJN-UHFFFAOYSA-N 1 0 363.477 2.543 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c1O ZINC000787240691 1001679577 /nfs/dbraw/zinc/67/95/77/1001679577.db2.gz QVHFVFANUXBKCO-JSGCOSHPSA-N 1 0 357.406 2.715 20 10 FFCDRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c(C)n1-c1ccccc1C ZINC000787909250 1001730270 /nfs/dbraw/zinc/73/02/70/1001730270.db2.gz WJIVUXJLZIHZNR-NRFANRHFSA-N 1 0 357.498 2.835 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccnc(OC(F)F)c2)ccc1N1CCOCC1 ZINC000790636693 1002440922 /nfs/dbraw/zinc/44/09/22/1002440922.db2.gz RQTHEKAGMSECRY-UHFFFAOYSA-N 1 0 367.371 2.949 20 10 FFCDRO COc1ccc(OCC[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000774819762 1002807970 /nfs/dbraw/zinc/80/79/70/1002807970.db2.gz RGQXRQYBIYIYKM-UHFFFAOYSA-N 1 0 362.382 2.828 20 10 FFCDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774928813 1003070140 /nfs/dbraw/zinc/07/01/40/1003070140.db2.gz LIXDPGKTQUMTHS-UHFFFAOYSA-N 1 0 361.398 2.991 20 10 FFCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792838611 1003200124 /nfs/dbraw/zinc/20/01/24/1003200124.db2.gz FONVZEJGKDKGHP-MRXNPFEDSA-N 1 0 374.403 2.517 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806324210 1004293445 /nfs/dbraw/zinc/29/34/45/1004293445.db2.gz DNROBOMMZRYPJE-IBGZPJMESA-N 1 0 358.461 2.994 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000747341269 1004377934 /nfs/dbraw/zinc/37/79/34/1004377934.db2.gz CZKZNKXTKLJBGY-PMACEKPBSA-N 1 0 353.466 2.687 20 10 FFCDRO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775831404 1004528172 /nfs/dbraw/zinc/52/81/72/1004528172.db2.gz RRKPTKHZTRWBCK-IERDGZPVSA-N 1 0 367.493 2.720 20 10 FFCDRO CCN(CC)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(OC)ccc1O ZINC000775831526 1004553880 /nfs/dbraw/zinc/55/38/80/1004553880.db2.gz MBKVHWJXWFFTDE-IBGZPJMESA-N 1 0 356.466 2.970 20 10 FFCDRO COc1ccc(NC(=O)NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775837850 1004564904 /nfs/dbraw/zinc/56/49/04/1004564904.db2.gz UTLNDSALDHVMCS-CQSZACIVSA-N 1 0 370.453 2.760 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833981 1004571379 /nfs/dbraw/zinc/57/13/79/1004571379.db2.gz NPCDBRQBTBBLSC-UZLBHIALSA-N 1 0 358.482 2.990 20 10 FFCDRO Cc1cccc(C)c1S(=O)(=O)Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001194634564 1004776190 /nfs/dbraw/zinc/77/61/90/1004776190.db2.gz UQLIXYFHKJAKSL-UHFFFAOYSA-N 1 0 359.495 2.856 20 10 FFCDRO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)c1O ZINC000775655538 1004966576 /nfs/dbraw/zinc/96/65/76/1004966576.db2.gz ZRBJZVVJOXIKRJ-INIZCTEOSA-N 1 0 371.456 2.985 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccc(OC)c3)CC2)cc1 ZINC001199792151 1005030346 /nfs/dbraw/zinc/03/03/46/1005030346.db2.gz GJVHFJDYWSGPCS-UHFFFAOYSA-N 1 0 355.482 2.616 20 10 FFCDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000776245182 1005308239 /nfs/dbraw/zinc/30/82/39/1005308239.db2.gz MJBRJSIKJIJINV-QGZVFWFLSA-N 1 0 369.513 2.982 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(F)c(-c4nnc[nH]4)c3)cc2)CC1 ZINC001202388224 1005343605 /nfs/dbraw/zinc/34/36/05/1005343605.db2.gz RFSBDEJASCCYPA-UHFFFAOYSA-N 1 0 366.444 2.975 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000776292397 1005350553 /nfs/dbraw/zinc/35/05/53/1005350553.db2.gz HNWYDOTZCGCZGN-ROUUACIJSA-N 1 0 359.514 2.760 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)c(O)c1 ZINC000850414384 1005814139 /nfs/dbraw/zinc/81/41/39/1005814139.db2.gz NABLBCUZBVUDOM-HXUWFJFHSA-N 1 0 369.509 2.697 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000850483534 1005818196 /nfs/dbraw/zinc/81/81/96/1005818196.db2.gz YQISPSJVWREAKA-HKUYNNGSSA-N 1 0 357.450 2.598 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3cc(OC)ccc3O)CC2=O)cc1 ZINC000850515310 1005819789 /nfs/dbraw/zinc/81/97/89/1005819789.db2.gz KEHKCAWFVUWFKW-KBPBESRZSA-N 1 0 356.422 2.866 20 10 FFCDRO CN(C)c1ccc(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000850758661 1005837025 /nfs/dbraw/zinc/83/70/25/1005837025.db2.gz CCPXERKEIVPMTM-IBGZPJMESA-N 1 0 354.454 2.735 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[NH2+]C3CCCCCC3)C2)cc1 ZINC000851662641 1005904613 /nfs/dbraw/zinc/90/46/13/1005904613.db2.gz GKEGCVZIJBLNMV-SFHVURJKSA-N 1 0 374.529 2.886 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)[NH+]3CCCCC3)C2)cc1 ZINC000851923460 1005923213 /nfs/dbraw/zinc/92/32/13/1005923213.db2.gz QYDFPWRDJOMCKF-QGZVFWFLSA-N 1 0 374.529 2.838 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000852598257 1006097050 /nfs/dbraw/zinc/09/70/50/1006097050.db2.gz VRBVTHASKOCWCJ-CTNGQTDRSA-N 1 0 373.541 2.992 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC001202486343 1006114994 /nfs/dbraw/zinc/11/49/94/1006114994.db2.gz FRWQSZXAPBLQDI-WIYYLYMNSA-N 1 0 360.498 2.651 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)c2C)cc1 ZINC000814145302 1006163427 /nfs/dbraw/zinc/16/34/27/1006163427.db2.gz MQBMKQDHAMCAEW-OXJNMPFZSA-N 1 0 353.466 2.879 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC000852776584 1006177767 /nfs/dbraw/zinc/17/77/67/1006177767.db2.gz UODIKAXEGWIMJL-INIZCTEOSA-N 1 0 355.486 2.605 20 10 FFCDRO COc1ccc(OC(C)(C)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000852792054 1006186193 /nfs/dbraw/zinc/18/61/93/1006186193.db2.gz PSDIDANAUMUUPA-LJQANCHMSA-N 1 0 371.481 2.735 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852882388 1006221692 /nfs/dbraw/zinc/22/16/92/1006221692.db2.gz FVFOWDJFXXWHKV-HXUWFJFHSA-N 1 0 357.498 2.570 20 10 FFCDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881850690 1006242921 /nfs/dbraw/zinc/24/29/21/1006242921.db2.gz CERQFATWRLBRCD-UHFFFAOYSA-N 1 0 368.437 2.585 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000853243271 1006347979 /nfs/dbraw/zinc/34/79/79/1006347979.db2.gz ATSCFZOYMKRAGE-ZWKOTPCHSA-N 1 0 374.529 2.838 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC001134882442 1006526706 /nfs/dbraw/zinc/52/67/06/1006526706.db2.gz PZERKLLTERWYNK-UXHICEINSA-N 1 0 367.493 2.865 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2Cc3ccccc3O2)[NH+](C)C)cc1 ZINC001134882444 1006527035 /nfs/dbraw/zinc/52/70/35/1006527035.db2.gz PZERKLLTERWYNK-WOJBJXKFSA-N 1 0 367.493 2.865 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1ccccc1C)cc2=O ZINC000815149266 1006531583 /nfs/dbraw/zinc/53/15/83/1006531583.db2.gz GRGHUTIZWOOPNZ-UHFFFAOYSA-N 1 0 368.437 2.945 20 10 FFCDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000775190380 1006671026 /nfs/dbraw/zinc/67/10/26/1006671026.db2.gz SQFCFRGRSILMOL-QGZVFWFLSA-N 1 0 358.461 2.775 20 10 FFCDRO O=C(Cc1ccoc1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000131194497 1006693105 /nfs/dbraw/zinc/69/31/05/1006693105.db2.gz WRCKDGMHNVTUKQ-UHFFFAOYSA-N 1 0 353.466 2.671 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883290144 1006735487 /nfs/dbraw/zinc/73/54/87/1006735487.db2.gz LQWSDECIWCVHEJ-HNNXBMFYSA-N 1 0 370.453 2.903 20 10 FFCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775203506 1006749493 /nfs/dbraw/zinc/74/94/93/1006749493.db2.gz LJGFTMLYAWDLOZ-CTNGQTDRSA-N 1 0 362.514 2.523 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816494432 1007071856 /nfs/dbraw/zinc/07/18/56/1007071856.db2.gz LCSDQQMPCHOBES-UHFFFAOYSA-N 1 0 356.466 2.910 20 10 FFCDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816530697 1007097594 /nfs/dbraw/zinc/09/75/94/1007097594.db2.gz QZEXGUHWVXZWTA-UHFFFAOYSA-N 1 0 367.449 2.890 20 10 FFCDRO Cn1c2ccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc2oc1=O ZINC000816536135 1007101907 /nfs/dbraw/zinc/10/19/07/1007101907.db2.gz MSJYOALVKDMWIX-UHFFFAOYSA-N 1 0 369.490 2.975 20 10 FFCDRO CCNC(=O)COc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000113322931 1007339686 /nfs/dbraw/zinc/33/96/86/1007339686.db2.gz MTHSQUSMMWXRIW-UHFFFAOYSA-N 1 0 358.438 2.514 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)c1 ZINC000884309928 1007367561 /nfs/dbraw/zinc/36/75/61/1007367561.db2.gz JOGSQDGEXPGBQM-SJKOYZFVSA-N 1 0 354.406 2.894 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000817420773 1007595449 /nfs/dbraw/zinc/59/54/49/1007595449.db2.gz ZRPUTEFXBXQONM-INIZCTEOSA-N 1 0 368.510 2.866 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000856211005 1007726680 /nfs/dbraw/zinc/72/66/80/1007726680.db2.gz VVZBPTYCXKWTOO-BBWFWOEESA-N 1 0 359.514 2.525 20 10 FFCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(-n2ccnn2)c1 ZINC000817942716 1007821170 /nfs/dbraw/zinc/82/11/70/1007821170.db2.gz QKTBVOVRJPAVNS-YWZLYKJASA-N 1 0 350.470 2.684 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000818049060 1007869243 /nfs/dbraw/zinc/86/92/43/1007869243.db2.gz VBLIJTVNGGTXDW-QZTJIDSGSA-N 1 0 374.529 2.695 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)n1 ZINC000856594494 1007904960 /nfs/dbraw/zinc/90/49/60/1007904960.db2.gz GLCQTWPAOPJIGL-JEUZPXFCSA-N 1 0 370.497 2.781 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)cc1 ZINC000818271249 1007907932 /nfs/dbraw/zinc/90/79/32/1007907932.db2.gz BTMFYWNEEKESIC-PXNSSMCTSA-N 1 0 359.514 2.935 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000114591091 1007969694 /nfs/dbraw/zinc/96/96/94/1007969694.db2.gz MXDIQAQHFFTBRS-GJZGRUSLSA-N 1 0 363.502 2.957 20 10 FFCDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818967673 1008010931 /nfs/dbraw/zinc/01/09/31/1008010931.db2.gz YKCPEIQOJKPDRQ-HXUWFJFHSA-N 1 0 362.420 2.933 20 10 FFCDRO Cc1ccc([C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)[NH+](C)C)cc1 ZINC000819165632 1008054630 /nfs/dbraw/zinc/05/46/30/1008054630.db2.gz YHDVQCNQNSJADZ-SFHVURJKSA-N 1 0 367.449 2.768 20 10 FFCDRO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCCc3ccc(O)c(O)c3)c2)C1 ZINC000857158461 1008074522 /nfs/dbraw/zinc/07/45/22/1008074522.db2.gz HYGPLPUWUSSXLP-GOSISDBHSA-N 1 0 354.450 2.880 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1F ZINC000858162737 1008314586 /nfs/dbraw/zinc/31/45/86/1008314586.db2.gz LNUQMAHIWMQZFS-OAHLLOKOSA-N 1 0 366.456 2.801 20 10 FFCDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000820351976 1008323052 /nfs/dbraw/zinc/32/30/52/1008323052.db2.gz GDBGSZSRBXXQIQ-GJZGRUSLSA-N 1 0 367.440 2.715 20 10 FFCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)COCc1ccccc1 ZINC000858332706 1008347498 /nfs/dbraw/zinc/34/74/98/1008347498.db2.gz MGXWKRPEVWPXBP-JOCHJYFZSA-N 1 0 370.493 2.581 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000858676552 1008401714 /nfs/dbraw/zinc/40/17/14/1008401714.db2.gz ICKZVUZFLZNJHN-GOSISDBHSA-N 1 0 353.466 2.517 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000859049792 1008469532 /nfs/dbraw/zinc/46/95/32/1008469532.db2.gz AXFSHUBBEYRMDX-UHFFFAOYSA-N 1 0 353.466 2.978 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C ZINC000886325761 1008639917 /nfs/dbraw/zinc/63/99/17/1008639917.db2.gz PZJUPHUPHRNIKV-UHFFFAOYSA-N 1 0 367.493 2.995 20 10 FFCDRO C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000860182719 1008879333 /nfs/dbraw/zinc/87/93/33/1008879333.db2.gz BLQLUVSMUMVQJN-MFBWXBCUSA-N 1 0 358.442 2.790 20 10 FFCDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1C ZINC001178180951 1008899262 /nfs/dbraw/zinc/89/92/62/1008899262.db2.gz NOLPYNAZPYECSC-IRXDYDNUSA-N 1 0 354.516 2.591 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)cc2)CC1 ZINC000823469380 1009077562 /nfs/dbraw/zinc/07/75/62/1009077562.db2.gz VYCGALJSIGGTCK-LJQANCHMSA-N 1 0 355.486 2.730 20 10 FFCDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000823481230 1009086210 /nfs/dbraw/zinc/08/62/10/1009086210.db2.gz CLWSLTPQYPRJHA-INIZCTEOSA-N 1 0 362.518 2.566 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3COc4cc(F)ccc4C3)cc2F)CC1 ZINC001179192992 1009286824 /nfs/dbraw/zinc/28/68/24/1009286824.db2.gz BXWBJRDRXITBMF-SFHVURJKSA-N 1 0 373.447 2.810 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000861621079 1009487478 /nfs/dbraw/zinc/48/74/78/1009487478.db2.gz WMWWSRSOZQOQTD-JGGQBBKZSA-N 1 0 372.435 2.982 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000861809469 1009566349 /nfs/dbraw/zinc/56/63/49/1009566349.db2.gz VNOOBJKRQLLSKE-NQIIRXRSSA-N 1 0 365.477 2.612 20 10 FFCDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000862465139 1009849086 /nfs/dbraw/zinc/84/90/86/1009849086.db2.gz NMKMJHAXCDQRGL-INIZCTEOSA-N 1 0 359.426 2.937 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476717 1009855029 /nfs/dbraw/zinc/85/50/29/1009855029.db2.gz XZYPFRPFAAUDKN-CQSZACIVSA-N 1 0 356.422 2.994 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000862514504 1009859109 /nfs/dbraw/zinc/85/91/09/1009859109.db2.gz ONTXAFBHFHKQLB-SFHVURJKSA-N 1 0 363.502 2.787 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000862754289 1009958627 /nfs/dbraw/zinc/95/86/27/1009958627.db2.gz WTVLGKZCAAVOJS-OALUTQOASA-N 1 0 370.497 2.564 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CCF)C3)cc2)CC1 ZINC000889661292 1010044778 /nfs/dbraw/zinc/04/47/78/1010044778.db2.gz WGYDHKSJVSYWGO-GOSISDBHSA-N 1 0 362.493 2.720 20 10 FFCDRO C[C@@H](c1ccccn1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670342 1010048960 /nfs/dbraw/zinc/04/89/60/1010048960.db2.gz MQXXUXHIUNPCKC-KRWDZBQOSA-N 1 0 367.497 2.736 20 10 FFCDRO CN(Cc1ccccc1F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889673496 1010049127 /nfs/dbraw/zinc/04/91/27/1010049127.db2.gz HNUNUFBIWOGNGT-UHFFFAOYSA-N 1 0 370.472 2.919 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCOc3ccccc32)c1 ZINC000794562403 1010335479 /nfs/dbraw/zinc/33/54/79/1010335479.db2.gz OMNBUACJQPVNMI-CQSZACIVSA-N 1 0 356.422 2.867 20 10 FFCDRO COc1ccc(CN2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1F ZINC000119919635 1010420875 /nfs/dbraw/zinc/42/08/75/1010420875.db2.gz FNXLITYKDBNLMU-UHFFFAOYSA-N 1 0 360.429 2.866 20 10 FFCDRO CC(C)[NH+]1CCC(CCN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 ZINC000865316390 1010760969 /nfs/dbraw/zinc/76/09/69/1010760969.db2.gz BEQYVMPCDXBAOX-UHFFFAOYSA-N 1 0 359.470 2.667 20 10 FFCDRO COc1cncc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1C ZINC000865598399 1010825121 /nfs/dbraw/zinc/82/51/21/1010825121.db2.gz SXBYUWXVKYMTFJ-UHFFFAOYSA-N 1 0 363.408 2.803 20 10 FFCDRO CCOc1ccc(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000865776124 1010860474 /nfs/dbraw/zinc/86/04/74/1010860474.db2.gz LEPVZHFBRQQCLW-UHFFFAOYSA-N 1 0 364.486 2.687 20 10 FFCDRO O=C1C[C@]2(CN1CC(F)(F)F)CCCC[N@H+]2Cc1cc(O)ccc1O ZINC001275035571 1011844175 /nfs/dbraw/zinc/84/41/75/1011844175.db2.gz YFQIEKJMPIMVIP-INIZCTEOSA-N 1 0 358.360 2.617 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CC(=O)C(C)(C)C)C3=O)c1 ZINC001275239017 1012123881 /nfs/dbraw/zinc/12/38/81/1012123881.db2.gz OUZSYNBFQHRRNV-OAQYLSRUSA-N 1 0 358.482 2.883 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cccc(OC)c3O)C2)C1=O ZINC001275243013 1012131250 /nfs/dbraw/zinc/13/12/50/1012131250.db2.gz WIKMBRXSEJLFJR-VBKZILBWSA-N 1 0 360.454 2.540 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1O ZINC001275242181 1012132787 /nfs/dbraw/zinc/13/27/87/1012132787.db2.gz QHSWADCCXHAEKB-CHWSQXEVSA-N 1 0 358.360 2.528 20 10 FFCDRO O=C1N(C2COC2)CC[C@]12CCC[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001275254519 1012147388 /nfs/dbraw/zinc/14/73/88/1012147388.db2.gz RPTAQSIBICESQL-LJQANCHMSA-N 1 0 364.873 2.649 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)c1 ZINC001275253652 1012152598 /nfs/dbraw/zinc/15/25/98/1012152598.db2.gz DNVBMJHKMIOCOC-QGZVFWFLSA-N 1 0 372.387 2.920 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3Cc3cc[nH]c3)C2=O)cc1 ZINC001275264861 1012175255 /nfs/dbraw/zinc/17/52/55/1012175255.db2.gz BXBKKSZVEBKVKR-OAQYLSRUSA-N 1 0 352.482 2.848 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1O ZINC001275280215 1012201731 /nfs/dbraw/zinc/20/17/31/1012201731.db2.gz WCERVEWHEABZIM-KRWDZBQOSA-N 1 0 372.387 2.926 20 10 FFCDRO C[NH+](C)C[C@](C)(O)CNCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796338872 1012250254 /nfs/dbraw/zinc/25/02/54/1012250254.db2.gz QQSDDFWRVBRVCK-JOCHJYFZSA-N 1 0 353.510 2.652 20 10 FFCDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123036131 1012288667 /nfs/dbraw/zinc/28/86/67/1012288667.db2.gz BBUWBNBXYCWTNG-QZTJIDSGSA-N 1 0 362.537 2.882 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3cnoc3)CC2)c(O)c1 ZINC001275387233 1012399870 /nfs/dbraw/zinc/39/98/70/1012399870.db2.gz AVZMRVKYHOZBLD-KRWDZBQOSA-N 1 0 355.438 2.607 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(CC(=O)C(C)(C)C)C3=O)C2)c(O)c1 ZINC001275385857 1012403405 /nfs/dbraw/zinc/40/34/05/1012403405.db2.gz MQYPIDFHOGJKQH-NRFANRHFSA-N 1 0 358.482 2.740 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)N(C4CCCC4)C3=O)C2)c(O)c1 ZINC001275387777 1012409170 /nfs/dbraw/zinc/40/91/70/1012409170.db2.gz IQNWVWWEHWGMHX-NRFANRHFSA-N 1 0 356.466 2.984 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc4n[nH]nc4c3)c2)CC1 ZINC000123293267 1012550702 /nfs/dbraw/zinc/55/07/02/1012550702.db2.gz IRPRROOFOGXZIP-UHFFFAOYSA-N 1 0 364.453 2.741 20 10 FFCDRO COC(=O)CCCC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001173457365 1012627857 /nfs/dbraw/zinc/62/78/57/1012627857.db2.gz JYEHXSXRCJNWLU-MRXNPFEDSA-N 1 0 364.486 2.948 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccc[nH]3)C2=O)cc1 ZINC001275602977 1012680865 /nfs/dbraw/zinc/68/08/65/1012680865.db2.gz NECFVLZYRSLSQI-NRFANRHFSA-N 1 0 352.482 2.848 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001275770690 1012985572 /nfs/dbraw/zinc/98/55/72/1012985572.db2.gz FRGINULGEXGXJA-UWJYYQICSA-N 1 0 360.498 2.858 20 10 FFCDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924726347 1017449842 /nfs/dbraw/zinc/44/98/42/1017449842.db2.gz NDKQMEUTPOMSHH-SJLPKXTDSA-N 1 0 352.482 2.504 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)cc2)C1 ZINC000924727298 1017451657 /nfs/dbraw/zinc/45/16/57/1017451657.db2.gz DVBCBFTYPDNNHC-SFHLNBCPSA-N 1 0 371.525 2.683 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@H]34)cc2F)CC1 ZINC000924760578 1017466556 /nfs/dbraw/zinc/46/65/56/1017466556.db2.gz PUUCTZTYJFNZNP-TZIWHRDSSA-N 1 0 361.505 2.893 20 10 FFCDRO C[C@H]([NH3+])[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000925485033 1017765434 /nfs/dbraw/zinc/76/54/34/1017765434.db2.gz KRHZMALWLCUSAO-LDQXTDLNSA-N 1 0 366.509 2.566 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)c(OC)c1 ZINC001137405877 1017922410 /nfs/dbraw/zinc/92/24/10/1017922410.db2.gz SDBQIUGXTYCRAM-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+]C3(CO)Cc4ccccc4C3)cc2)CC1 ZINC000827821533 1018747568 /nfs/dbraw/zinc/74/75/68/1018747568.db2.gz QPLJBISPOLHNHY-UHFFFAOYSA-N 1 0 366.505 2.921 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cncnc4)C3)C2)cc1 ZINC001137666122 1032801899 /nfs/dbraw/zinc/80/18/99/1032801899.db2.gz PCVNIBQKJMFOIF-NRFANRHFSA-N 1 0 368.481 2.604 20 10 FFCDRO COc1ccc(Br)c(CN2CCC[C@@]23CCC[NH2+]C3)c1O ZINC001222247129 1032847312 /nfs/dbraw/zinc/84/73/12/1032847312.db2.gz CWHCLACQZICSJD-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO COc1ccc(Br)c(CN2CCC[C@]23CCC[NH2+]C3)c1O ZINC001222247127 1032847865 /nfs/dbraw/zinc/84/78/65/1032847865.db2.gz CWHCLACQZICSJD-INIZCTEOSA-N 1 0 355.276 2.881 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001045075657 1019817085 /nfs/dbraw/zinc/81/70/85/1019817085.db2.gz DBDIKPGFSJGLSW-HBFSDRIKSA-N 1 0 360.498 2.899 20 10 FFCDRO CC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000930784588 1020181137 /nfs/dbraw/zinc/18/11/37/1020181137.db2.gz GWOVNCJASBXUGL-GOSISDBHSA-N 1 0 369.469 2.775 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccnn2CC2CC2)[NH+](C)C)cc1 ZINC000930928857 1020242840 /nfs/dbraw/zinc/24/28/40/1020242840.db2.gz VZMIZDIWMVIRAC-GOSISDBHSA-N 1 0 370.501 2.784 20 10 FFCDRO C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)C1 ZINC000725803687 1020264235 /nfs/dbraw/zinc/26/42/35/1020264235.db2.gz NVEPODGGMWPGIM-YLJYHZDGSA-N 1 0 359.514 2.602 20 10 FFCDRO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2Cc2c(O)ccc3ccccc32)O1 ZINC000902536900 1020266266 /nfs/dbraw/zinc/26/62/66/1020266266.db2.gz LDCKGWMMQIXLMZ-NBHGPNQESA-N 1 0 357.450 2.940 20 10 FFCDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)[C@@H]2C1 ZINC000931785456 1020586677 /nfs/dbraw/zinc/58/66/77/1020586677.db2.gz SHWDKLVDBDPDJQ-GDBMZVCRSA-N 1 0 362.437 2.564 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCC[NH2+]C[C@H]3F)ccc(O)c21 ZINC001217951547 1032915686 /nfs/dbraw/zinc/91/56/86/1032915686.db2.gz SIHDQMFTZJPQJO-UKRRQHHQSA-N 1 0 355.365 2.637 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1C[NH2+]CCC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001217980253 1032930612 /nfs/dbraw/zinc/93/06/12/1032930612.db2.gz KHQKBPCESOGQPI-RDJZCZTQSA-N 1 0 369.392 2.945 20 10 FFCDRO CC(C)(C)OCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000778076332 1020751520 /nfs/dbraw/zinc/75/15/20/1020751520.db2.gz ZULAIKLQAAENLH-UHFFFAOYSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1cc(O[C@H]2CCCC[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001217971815 1032925892 /nfs/dbraw/zinc/92/58/92/1032925892.db2.gz XLCYIRPYWBKIIJ-ZDUSSCGKSA-N 1 0 351.402 2.997 20 10 FFCDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000903381368 1020814999 /nfs/dbraw/zinc/81/49/99/1020814999.db2.gz WAWXXJZYFZSPTD-KDOFPFPSSA-N 1 0 357.454 2.917 20 10 FFCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000749198139 1020867726 /nfs/dbraw/zinc/86/77/26/1020867726.db2.gz CNBQVPNVQFFJCE-QZTJIDSGSA-N 1 0 374.529 2.567 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1CCC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001217997817 1032940611 /nfs/dbraw/zinc/94/06/11/1032940611.db2.gz XMGMECRHQUILAE-CYBMUJFWSA-N 1 0 351.402 2.992 20 10 FFCDRO CCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H]1CCCCO1 ZINC000749292489 1020920108 /nfs/dbraw/zinc/92/01/08/1020920108.db2.gz QRWUZPNONIUKBC-FQEVSTJZSA-N 1 0 361.530 2.992 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCn3ccnc3C2)ccc1N1CCCCC1 ZINC000778188666 1021078858 /nfs/dbraw/zinc/07/88/58/1021078858.db2.gz ZOENLJNKCQSSJP-MRXNPFEDSA-N 1 0 355.442 2.886 20 10 FFCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000749967780 1021175103 /nfs/dbraw/zinc/17/51/03/1021175103.db2.gz CELPGZCXHZGTOI-AWEZNQCLSA-N 1 0 374.462 2.805 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3noc4c3CCCC4)cc2)CC1 ZINC000934343637 1021204159 /nfs/dbraw/zinc/20/41/59/1021204159.db2.gz AVFCWZFMBQJCQQ-UHFFFAOYSA-N 1 0 369.469 2.627 20 10 FFCDRO O[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000934431672 1021237339 /nfs/dbraw/zinc/23/73/39/1021237339.db2.gz GXWVISXATCZHBY-IFMALSPDSA-N 1 0 352.478 2.559 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC001117656086 1021799380 /nfs/dbraw/zinc/79/93/80/1021799380.db2.gz FLSUGUMEGIKCOR-QGZVFWFLSA-N 1 0 359.514 2.902 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCC3(CC1)OCCc1ccsc13)[C@H](O)CO2 ZINC000778578111 1022130030 /nfs/dbraw/zinc/13/00/30/1022130030.db2.gz QHBIATJCCXBXQT-QGZVFWFLSA-N 1 0 373.474 2.944 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=[NH2+])Nc3ccc(C)cc3)CC2)cc1 ZINC001118411124 1022222872 /nfs/dbraw/zinc/22/28/72/1022222872.db2.gz GCGBVVBQOUKLDC-UHFFFAOYSA-N 1 0 367.497 2.762 20 10 FFCDRO CCOC(=O)[C@@H](C)[C@@H](Oc1ccc(N2CC[NH2+]CC2)cc1)C(F)(F)F ZINC001218197552 1033043051 /nfs/dbraw/zinc/04/30/51/1033043051.db2.gz QVPAHLMWGNZJSC-SWLSCSKDSA-N 1 0 360.376 2.605 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000157936768 1022466722 /nfs/dbraw/zinc/46/67/22/1022466722.db2.gz WLGUWUMQYPJNAW-GOSISDBHSA-N 1 0 354.450 2.811 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000159962784 1022853108 /nfs/dbraw/zinc/85/31/08/1022853108.db2.gz BJSNNZDFGNJTPV-QAPCUYQASA-N 1 0 369.465 2.721 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc2c1C(=O)c1ccccc1C2=O ZINC001218333357 1033111249 /nfs/dbraw/zinc/11/12/49/1033111249.db2.gz YEWMYEYBGRQYHI-ULFGMLNVSA-N 1 0 363.413 2.766 20 10 FFCDRO COC(=O)COc1ccc(N(C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000753591573 1023356790 /nfs/dbraw/zinc/35/67/90/1023356790.db2.gz MCWXQMKKHXOCHA-UHFFFAOYSA-N 1 0 366.421 2.764 20 10 FFCDRO CC[N@H+](C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@H](C)C(C)C ZINC000754020909 1023416679 /nfs/dbraw/zinc/41/66/79/1023416679.db2.gz WWAOOQJWBIGRKV-QUCCMNQESA-N 1 0 363.546 2.545 20 10 FFCDRO COc1ccc2c(c1O[C@@H]1C[NH2+]CCC13CC3)C(=O)c1ccccc1C2=O ZINC001218406097 1033139604 /nfs/dbraw/zinc/13/96/04/1033139604.db2.gz RXGGGKBCMFUOCF-QGZVFWFLSA-N 1 0 363.413 2.992 20 10 FFCDRO CCC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccnc1 ZINC000756573287 1023730090 /nfs/dbraw/zinc/73/00/90/1023730090.db2.gz ISGQLNRWBNWOMN-FQEVSTJZSA-N 1 0 373.522 2.947 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000756576390 1023730225 /nfs/dbraw/zinc/73/02/25/1023730225.db2.gz TYSQQPDCUDDRHT-MRXNPFEDSA-N 1 0 374.506 2.786 20 10 FFCDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c(O)ccc4F)C2=O)n(C)n1 ZINC000756731589 1023751129 /nfs/dbraw/zinc/75/11/29/1023751129.db2.gz HEWQSJHXAFAYCP-LEWSCRJBSA-N 1 0 358.417 2.517 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COc3cc(OC)ccc3C2)c1 ZINC000756776080 1023753750 /nfs/dbraw/zinc/75/37/50/1023753750.db2.gz WFMIBZIXDHQHAE-DOMZBBRYSA-N 1 0 357.406 2.842 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c2c1c(F)ccc2O ZINC000757659269 1023843698 /nfs/dbraw/zinc/84/36/98/1023843698.db2.gz ZIDFTDFUUJWXNB-BPLDGKMQSA-N 1 0 372.444 2.594 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(O)cccc3F)CC2)C1 ZINC001137832734 1033166545 /nfs/dbraw/zinc/16/65/45/1033166545.db2.gz FXILZGQWMUGUNS-OAHLLOKOSA-N 1 0 364.461 2.771 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4c(O)cccc4F)CC[N@@H+]3C2)n1 ZINC001137834403 1033168432 /nfs/dbraw/zinc/16/84/32/1033168432.db2.gz FKFOPJFQUXKFKY-QZTJIDSGSA-N 1 0 371.456 2.710 20 10 FFCDRO O=C1[C@H]2CCCN(Cc3c(O)cccc3F)[C@@H]2C(=O)N1Cc1ccccc1 ZINC001137838828 1033181544 /nfs/dbraw/zinc/18/15/44/1033181544.db2.gz LFFXEKKPQQNLCU-KXBFYZLASA-N 1 0 368.408 2.681 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001121945561 1024192466 /nfs/dbraw/zinc/19/24/66/1024192466.db2.gz GLMAFYMNCBXMAT-YVWKXTFCSA-N 1 0 359.514 2.506 20 10 FFCDRO CC[C@@H](C)[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001276850917 1033208383 /nfs/dbraw/zinc/20/83/83/1033208383.db2.gz HAXKHHWPCFXGSE-UTKZUKDTSA-N 1 0 359.514 2.602 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001139670557 1024427255 /nfs/dbraw/zinc/42/72/55/1024427255.db2.gz BYEKMIHFNFPEIY-UHFFFAOYSA-N 1 0 359.514 2.664 20 10 FFCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000759173029 1024505998 /nfs/dbraw/zinc/50/59/98/1024505998.db2.gz LCNIGJDWPBCOFH-VQIMIIECSA-N 1 0 363.458 2.869 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137857415 1033226121 /nfs/dbraw/zinc/22/61/21/1033226121.db2.gz GSUVZIUQHOKWHV-UHFFFAOYSA-N 1 0 355.482 2.821 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCCO3)cc2F)CC1 ZINC000087255427 1025325202 /nfs/dbraw/zinc/32/52/02/1025325202.db2.gz OFEIKBWSVIMUKR-KRWDZBQOSA-N 1 0 363.477 2.543 20 10 FFCDRO CN1CCOc2cc(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ccc21 ZINC001141141030 1025509809 /nfs/dbraw/zinc/50/98/09/1025509809.db2.gz SIVHYOPMGRUAEI-CALCHBBNSA-N 1 0 373.497 2.814 20 10 FFCDRO CN1CCOc2cc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)ccc21 ZINC001141143107 1025515188 /nfs/dbraw/zinc/51/51/88/1025515188.db2.gz NUMXGKPZPOJDRR-UHFFFAOYSA-N 1 0 357.498 2.740 20 10 FFCDRO COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)n1 ZINC001141146449 1025524323 /nfs/dbraw/zinc/52/43/23/1025524323.db2.gz VWCUUZHZLFSMKR-KRWDZBQOSA-N 1 0 369.465 2.962 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001141158665 1025541237 /nfs/dbraw/zinc/54/12/37/1025541237.db2.gz IULPILLZDGCZDP-LAUBAEHRSA-N 1 0 370.449 2.943 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC001141159882 1025543437 /nfs/dbraw/zinc/54/34/37/1025543437.db2.gz MAHAIRBCGSXZLX-AZUAARDMSA-N 1 0 356.422 2.695 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)ccc21 ZINC000838032095 1026177367 /nfs/dbraw/zinc/17/73/67/1026177367.db2.gz RQQZGCZIHGUFQR-OAQYLSRUSA-N 1 0 356.514 2.696 20 10 FFCDRO C[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H]1C ZINC000838533328 1026402332 /nfs/dbraw/zinc/40/23/32/1026402332.db2.gz LZZLGTAHUSFCEO-IRXDYDNUSA-N 1 0 356.514 2.768 20 10 FFCDRO C[C@H](CCCc1cccnc1)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839145613 1026604238 /nfs/dbraw/zinc/60/42/38/1026604238.db2.gz QSGPPHUJFQAHLE-QGZVFWFLSA-N 1 0 354.498 2.765 20 10 FFCDRO OC[C@]1(O)CCC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000839155997 1026607004 /nfs/dbraw/zinc/60/70/04/1026607004.db2.gz KOWSUFFVTIKCML-QFIPXVFZSA-N 1 0 352.478 2.569 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000839588542 1026748438 /nfs/dbraw/zinc/74/84/38/1026748438.db2.gz DTLIBPPVWKUFKJ-NJDAHSKKSA-N 1 0 373.541 2.774 20 10 FFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000247297068 1026864122 /nfs/dbraw/zinc/86/41/22/1026864122.db2.gz UVBPGGDFYOFRBM-MSOLQXFVSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000840128811 1026971231 /nfs/dbraw/zinc/97/12/31/1026971231.db2.gz VCMUWZZOHVIFTG-JSGCOSHPSA-N 1 0 372.387 2.552 20 10 FFCDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000840714824 1027228428 /nfs/dbraw/zinc/22/84/28/1027228428.db2.gz MRDRINZEEKPIJC-HNNXBMFYSA-N 1 0 359.445 2.787 20 10 FFCDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093360186 1027700933 /nfs/dbraw/zinc/70/09/33/1027700933.db2.gz FUZOFNHFFMAVLC-MRXNPFEDSA-N 1 0 363.502 2.868 20 10 FFCDRO CC(=O)N1CCc2cc(N3C[C@H]([NH3+])Cc4ccccc43)cc([N+](=O)[O-])c21 ZINC001162853388 1028679121 /nfs/dbraw/zinc/67/91/21/1028679121.db2.gz JMEUODLSWKGXSW-OAHLLOKOSA-N 1 0 352.394 2.525 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ccnc(F)c3OC)CC2)cc1 ZINC001164329505 1029247094 /nfs/dbraw/zinc/24/70/94/1029247094.db2.gz BAFGSSSCKBRHJK-UHFFFAOYSA-N 1 0 374.460 2.862 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(N4CCCCC4)nn3)cc2)CC1 ZINC001156650908 1029286466 /nfs/dbraw/zinc/28/64/66/1029286466.db2.gz GUGLPHMIDJWCBU-UHFFFAOYSA-N 1 0 366.513 2.831 20 10 FFCDRO CC(C)COc1nccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156660162 1029294031 /nfs/dbraw/zinc/29/40/31/1029294031.db2.gz UBFSBYHSRZFVPM-UHFFFAOYSA-N 1 0 355.486 2.875 20 10 FFCDRO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C[C@H](C)O1 ZINC000781909113 1029467941 /nfs/dbraw/zinc/46/79/41/1029467941.db2.gz IDTMRQQDOIMAJD-HDICACEKSA-N 1 0 359.514 2.745 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000840929644 1029929377 /nfs/dbraw/zinc/92/93/77/1029929377.db2.gz DUVOWYAYBKALKP-KRWDZBQOSA-N 1 0 354.498 2.971 20 10 FFCDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045430 1029999313 /nfs/dbraw/zinc/99/93/13/1029999313.db2.gz KWLRDMAAECERKE-IFXJQAMLSA-N 1 0 358.461 2.898 20 10 FFCDRO Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000841295902 1030166404 /nfs/dbraw/zinc/16/64/04/1030166404.db2.gz JBZXEZUDACJVQW-LJQANCHMSA-N 1 0 354.454 2.547 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841328629 1030202134 /nfs/dbraw/zinc/20/21/34/1030202134.db2.gz MWQBLVLTWBESLP-UHFFFAOYSA-N 1 0 354.454 2.865 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1 ZINC000841656312 1030386646 /nfs/dbraw/zinc/38/66/46/1030386646.db2.gz ZJOVYXNRDFANFY-UXHICEINSA-N 1 0 370.472 2.918 20 10 FFCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000841742338 1030440625 /nfs/dbraw/zinc/44/06/25/1030440625.db2.gz WJZYGMDYOMZWNK-VQIMIIECSA-N 1 0 362.518 2.599 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1F ZINC000841759831 1030448246 /nfs/dbraw/zinc/44/82/46/1030448246.db2.gz ITLRDOLMUJZDTK-AEFFLSMTSA-N 1 0 362.493 2.955 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)ccc21 ZINC000841759726 1030448683 /nfs/dbraw/zinc/44/86/83/1030448683.db2.gz PJKLARZKJQPEDI-VQTJNVASSA-N 1 0 364.493 2.705 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)C3CCC([NH3+])CC3)CC2)cc1 ZINC000841778500 1030459544 /nfs/dbraw/zinc/45/95/44/1030459544.db2.gz CERNVHVSYOPJMM-UHFFFAOYSA-N 1 0 360.502 2.575 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cn1 ZINC000784093332 1030464143 /nfs/dbraw/zinc/46/41/43/1030464143.db2.gz UFDMCIOAMKCIDC-UHFFFAOYSA-N 1 0 368.456 2.683 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001203552394 1030764042 /nfs/dbraw/zinc/76/40/42/1030764042.db2.gz MFGMZDVIVGIBLG-SFHLNBCPSA-N 1 0 354.450 2.983 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1O ZINC001203591181 1030776848 /nfs/dbraw/zinc/77/68/48/1030776848.db2.gz DDWZRSFEGBTRID-FQEVSTJZSA-N 1 0 354.454 2.683 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c1O ZINC001203610212 1030787276 /nfs/dbraw/zinc/78/72/76/1030787276.db2.gz ZJIOQEZEPCSFGE-UTKZUKDTSA-N 1 0 370.449 2.713 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001203617936 1030789017 /nfs/dbraw/zinc/78/90/17/1030789017.db2.gz YUGQBXYCENDOAD-SFHVURJKSA-N 1 0 370.449 2.933 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c(O)c1 ZINC001203629860 1030795258 /nfs/dbraw/zinc/79/52/58/1030795258.db2.gz MXTNSLLZXBFTKF-PBHICJAKSA-N 1 0 356.422 2.730 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)c(O)c1 ZINC001203629405 1030796612 /nfs/dbraw/zinc/79/66/12/1030796612.db2.gz IQHWUEWSXFCKAY-IBGZPJMESA-N 1 0 352.434 2.854 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001203635142 1030797502 /nfs/dbraw/zinc/79/75/02/1030797502.db2.gz LHIVFSRTBDHRAL-SFHVURJKSA-N 1 0 356.422 2.543 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2O)C1 ZINC001203648282 1030805601 /nfs/dbraw/zinc/80/56/01/1030805601.db2.gz HYDPLDRPMHNELO-ZIAGYGMSSA-N 1 0 356.850 2.506 20 10 FFCDRO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1Cc1cccnc1 ZINC001203655958 1030807024 /nfs/dbraw/zinc/80/70/24/1030807024.db2.gz GKZQCHMBBRJCSO-DLBZAZTESA-N 1 0 357.841 2.816 20 10 FFCDRO Cn1cc(N2CC[C@@]3(CCC[N@H+](Cc4cc(Cl)ccc4O)C3)C2=O)cn1 ZINC001203657196 1030809167 /nfs/dbraw/zinc/80/91/67/1030809167.db2.gz HFKFKAKADUOWKO-LJQANCHMSA-N 1 0 374.872 2.798 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)c1 ZINC001203670976 1030818451 /nfs/dbraw/zinc/81/84/51/1030818451.db2.gz HEGHUKOSUWJSBU-UHFFFAOYSA-N 1 0 354.454 2.826 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001203669773 1030819070 /nfs/dbraw/zinc/81/90/70/1030819070.db2.gz DIXYXKMLOPDYFS-NRFANRHFSA-N 1 0 369.465 2.667 20 10 FFCDRO CCn1ncc2c1CN(Cc1ccc(O)c(O)c1)C[C@H]2COCC1CC1 ZINC001203877338 1030949712 /nfs/dbraw/zinc/94/97/12/1030949712.db2.gz DNZHBTNZLHSNRS-INIZCTEOSA-N 1 0 357.454 2.840 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000842785345 1030957616 /nfs/dbraw/zinc/95/76/16/1030957616.db2.gz HTJIEHNFCPOZTR-HXUWFJFHSA-N 1 0 371.506 2.659 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC001203931405 1030989359 /nfs/dbraw/zinc/98/93/59/1030989359.db2.gz HARIZAALIHBUNB-UHFFFAOYSA-N 1 0 351.498 2.744 20 10 FFCDRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(N(C)C)cc2)n1 ZINC001203931956 1030991175 /nfs/dbraw/zinc/99/11/75/1030991175.db2.gz MVKWNLASZZVVBM-LEWJYISDSA-N 1 0 364.493 2.831 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)cc1 ZINC001203939508 1030998240 /nfs/dbraw/zinc/99/82/40/1030998240.db2.gz CGNPBEDHLRZIMF-NJDAHSKKSA-N 1 0 373.541 2.848 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](Oc3nccc(OC)n3)C2)cc1 ZINC001203943686 1031000104 /nfs/dbraw/zinc/00/01/04/1031000104.db2.gz FOOODKHBMUPBEN-SFHVURJKSA-N 1 0 356.470 2.985 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000843065331 1031170563 /nfs/dbraw/zinc/17/05/63/1031170563.db2.gz KTNGVFBTXMEOBU-OAQYLSRUSA-N 1 0 358.457 2.858 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(O)cc3O)CC2)cc1 ZINC001204274719 1031201759 /nfs/dbraw/zinc/20/17/59/1031201759.db2.gz HKWBKKJANGTXCN-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001204340116 1031235035 /nfs/dbraw/zinc/23/50/35/1031235035.db2.gz CXTCXSLPKZZSNX-GXFFZTMASA-N 1 0 354.244 2.964 20 10 FFCDRO COc1cc(Br)cc(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1O ZINC001204343007 1031236774 /nfs/dbraw/zinc/23/67/74/1031236774.db2.gz WLUVODCOXHLLRH-BXUZGUMPSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204350776 1031247398 /nfs/dbraw/zinc/24/73/98/1031247398.db2.gz JBRVQFPAGHXRAU-LJQANCHMSA-N 1 0 366.458 2.843 20 10 FFCDRO COc1ccc(NC(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)c(OC)c1 ZINC000843350489 1031345378 /nfs/dbraw/zinc/34/53/78/1031345378.db2.gz SLAUGQHALFGZOW-AWEZNQCLSA-N 1 0 369.465 2.942 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)c(O)c1 ZINC000843406012 1031383912 /nfs/dbraw/zinc/38/39/12/1031383912.db2.gz DUNVFSYYDYDHSS-KRWDZBQOSA-N 1 0 356.422 2.902 20 10 FFCDRO C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)COC1(C)C[NH2+]C1 ZINC000843484162 1031423624 /nfs/dbraw/zinc/42/36/24/1031423624.db2.gz IDLBKBKWFAXPMG-MRXNPFEDSA-N 1 0 354.450 2.861 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000843507056 1031433846 /nfs/dbraw/zinc/43/38/46/1031433846.db2.gz OYKZFUKQCGGTAH-AUUYWEPGSA-N 1 0 373.884 2.991 20 10 FFCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CCC1(F)F ZINC001205781297 1031989067 /nfs/dbraw/zinc/98/90/67/1031989067.db2.gz VUJQZWDVDHJVEE-AWEZNQCLSA-N 1 0 359.848 2.593 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC(C)(C)C(C)(C)O)c2cc(F)ccc2n1C ZINC001205803359 1032006815 /nfs/dbraw/zinc/00/68/15/1032006815.db2.gz NGQZFAFLXVNSNV-UHFFFAOYSA-N 1 0 350.434 2.991 20 10 FFCDRO Nc1ccc(N(C(=O)[C@@H]2C[NH2+]CCO2)c2ccc3ccccc3c2N)cc1 ZINC001219471904 1033660370 /nfs/dbraw/zinc/66/03/70/1033660370.db2.gz XCSOKVMCKCXAMC-IBGZPJMESA-N 1 0 362.433 2.657 20 10 FFCDRO Nc1ccc(N(C(=O)[C@@]23C[NH2+][C@@H](CO2)C3)c2ccc3ccccc3c2N)cc1 ZINC001219471963 1033661472 /nfs/dbraw/zinc/66/14/72/1033661472.db2.gz ZXPLAEBRPXGBHX-OPAMFIHVSA-N 1 0 374.444 2.800 20 10 FFCDRO C[C@@]1(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)CC[NH2+]C1 ZINC001219493361 1033668131 /nfs/dbraw/zinc/66/81/31/1033668131.db2.gz QKMZYUVIVSQOIR-LJQANCHMSA-N 1 0 353.426 2.851 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)C3CC4(C[NH2+]C4)C3)cc2)cc1 ZINC001219493775 1033668981 /nfs/dbraw/zinc/66/89/81/1033668981.db2.gz XRWFDAQPACSTAJ-UHFFFAOYSA-N 1 0 365.437 2.851 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cccc(F)c4O)CC[N@@H+]3C2)n1 ZINC001138125292 1033803378 /nfs/dbraw/zinc/80/33/78/1033803378.db2.gz NHHWBAURBCQRCN-OALUTQOASA-N 1 0 371.456 2.710 20 10 FFCDRO CN(C)c1ccc(-c2nc(C(=O)NC[C@@]3(F)CCC[NH2+]C3)cs2)cc1 ZINC001219771743 1033808370 /nfs/dbraw/zinc/80/83/70/1033808370.db2.gz REKOVUCBNQRIHU-GOSISDBHSA-N 1 0 362.474 2.698 20 10 FFCDRO Cc1c(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)c2ccccc2n1C ZINC001138254391 1034024708 /nfs/dbraw/zinc/02/47/08/1034024708.db2.gz XXFYVTPLKMHXSO-YFVAEKQCSA-N 1 0 369.509 2.802 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC001225008078 1034090552 /nfs/dbraw/zinc/09/05/52/1034090552.db2.gz FVIIFZCDFDBZHC-UHFFFAOYSA-N 1 0 370.472 2.619 20 10 FFCDRO COc1cccc([C@@H]2[C@H](NC(=O)Cc3ccc(N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000831528498 1034114295 /nfs/dbraw/zinc/11/42/95/1034114295.db2.gz RJZDKQBTGNURFU-IFMALSPDSA-N 1 0 365.477 2.914 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138337077 1034167991 /nfs/dbraw/zinc/16/79/91/1034167991.db2.gz KCLPEHIGPMAGIK-UHFFFAOYSA-N 1 0 357.498 2.582 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337612 1034168170 /nfs/dbraw/zinc/16/81/70/1034168170.db2.gz BTJTUIDVBRJUQG-GDBMZVCRSA-N 1 0 358.482 2.865 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)cc2c3c1CCCN3CCC2 ZINC001138341416 1034173265 /nfs/dbraw/zinc/17/32/65/1034173265.db2.gz ODPSQWKKQDUUFN-KRWDZBQOSA-N 1 0 366.465 2.534 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCN(CCc4ccncc4)CC3)ccc21 ZINC001138358380 1034194881 /nfs/dbraw/zinc/19/48/81/1034194881.db2.gz QCAVDERTOKKVBL-UHFFFAOYSA-N 1 0 350.510 2.824 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)cc1 ZINC000831748504 1034255326 /nfs/dbraw/zinc/25/53/26/1034255326.db2.gz DTJZZNSOYANMHP-MGPUTAFESA-N 1 0 371.456 2.519 20 10 FFCDRO CC[C@@H]1[N@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@]12CCC(=O)N2C ZINC001138495803 1034332346 /nfs/dbraw/zinc/33/23/46/1034332346.db2.gz HKPPQRFCNSWBDN-UNMCSNQZSA-N 1 0 371.525 2.889 20 10 FFCDRO c1cncc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC001138497568 1034336570 /nfs/dbraw/zinc/33/65/70/1034336570.db2.gz JPNWAIYGGSLORS-NRFANRHFSA-N 1 0 353.466 2.962 20 10 FFCDRO Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1 ZINC001138500293 1034343361 /nfs/dbraw/zinc/34/33/61/1034343361.db2.gz WFSMFRKXRKSIHA-HXUWFJFHSA-N 1 0 368.481 2.665 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](OC)C2CC2)cc1C ZINC001226003947 1034486755 /nfs/dbraw/zinc/48/67/55/1034486755.db2.gz XHHFTCNHOGGSHA-QWFCFKBJSA-N 1 0 360.498 2.946 20 10 FFCDRO C[C@@H](CCOc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267272 1034690107 /nfs/dbraw/zinc/69/01/07/1034690107.db2.gz PFGBOHWZIUGONX-JXFKEZNVSA-N 1 0 355.482 2.974 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000832272941 1034694353 /nfs/dbraw/zinc/69/43/53/1034694353.db2.gz KFUDFTKSBNHWTB-LPHOPBHVSA-N 1 0 353.466 2.825 20 10 FFCDRO COc1ccccc1/C(C)=C/C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283717 1034701247 /nfs/dbraw/zinc/70/12/47/1034701247.db2.gz ANGJWLQNZKUJHN-LLLGYDHXSA-N 1 0 353.466 2.981 20 10 FFCDRO O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054229 1035323192 /nfs/dbraw/zinc/32/31/92/1035323192.db2.gz MRYOCSDXZBXQOL-KRWDZBQOSA-N 1 0 355.413 2.565 20 10 FFCDRO CCOC(=O)C1CC[NH+](C2CCN(Cc3cc(F)ccc3O)CC2)CC1 ZINC001140062636 1035327532 /nfs/dbraw/zinc/32/75/32/1035327532.db2.gz CDQWLQUMMZJMMC-UHFFFAOYSA-N 1 0 364.461 2.771 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001140102345 1035343114 /nfs/dbraw/zinc/34/31/14/1035343114.db2.gz MXOIVTYMKJXQPA-GFCCVEGCSA-N 1 0 364.243 2.988 20 10 FFCDRO COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1c(C)ccc(C)c1O ZINC001140179537 1035370015 /nfs/dbraw/zinc/37/00/15/1035370015.db2.gz GFFPOFIRJJPJKX-SFHVURJKSA-N 1 0 356.470 2.756 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1O ZINC001140181896 1035370720 /nfs/dbraw/zinc/37/07/20/1035370720.db2.gz XMJPCJKKRPBKSI-FQEVSTJZSA-N 1 0 359.470 2.597 20 10 FFCDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)no1 ZINC001140282683 1035417472 /nfs/dbraw/zinc/41/74/72/1035417472.db2.gz HNKGJQMTHRBFSY-KRWDZBQOSA-N 1 0 356.470 2.719 20 10 FFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140283238 1035417958 /nfs/dbraw/zinc/41/79/58/1035417958.db2.gz OADMUVIWBDGMHV-FCHUYYIVSA-N 1 0 374.525 2.808 20 10 FFCDRO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CCc3cccc(O)c32)cc(OC)c1 ZINC000834611795 1035418093 /nfs/dbraw/zinc/41/80/93/1035418093.db2.gz OJZGOFIAENZNRM-HNAYVOBHSA-N 1 0 357.450 2.838 20 10 FFCDRO O=C(NC1CCC1)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]2OCC[C@H]21 ZINC001140338417 1035443364 /nfs/dbraw/zinc/44/33/64/1035443364.db2.gz IUXYUFXZYGKBPP-SUNYJGFJSA-N 1 0 364.873 2.551 20 10 FFCDRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140339926 1035443855 /nfs/dbraw/zinc/44/38/55/1035443855.db2.gz PKJKMYQICIGERB-UHFFFAOYSA-N 1 0 360.889 2.987 20 10 FFCDRO CC(C)(C)OC(=O)N1CCN(Cc2c(O)cccc2Cl)C[C@@H]1CCO ZINC001140341828 1035444351 /nfs/dbraw/zinc/44/43/51/1035444351.db2.gz JEPKOYDBZZBILJ-ZDUSSCGKSA-N 1 0 370.877 2.849 20 10 FFCDRO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345571 1035446915 /nfs/dbraw/zinc/44/69/15/1035446915.db2.gz WNZYFIJXEOHWAS-IBGZPJMESA-N 1 0 372.856 2.855 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc4n[nH]cc4c3)CC2)c(OC)c1 ZINC001140389037 1035462170 /nfs/dbraw/zinc/46/21/70/1035462170.db2.gz JIGSVJHXCXIDSP-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(Cl)cc2O)O1)N1CCCC1 ZINC001140465112 1035485636 /nfs/dbraw/zinc/48/56/36/1035485636.db2.gz IKISBBQHCWHNMG-NXHRZFHOSA-N 1 0 364.873 2.790 20 10 FFCDRO O[C@]1(CF)CCCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194235 1035494471 /nfs/dbraw/zinc/49/44/71/1035494471.db2.gz GGLHACMIWJKCAD-SFHVURJKSA-N 1 0 356.869 2.863 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC12CC2 ZINC001232200856 1035496282 /nfs/dbraw/zinc/49/62/82/1035496282.db2.gz AVBSEHSSMDLWGH-HNNXBMFYSA-N 1 0 364.873 2.562 20 10 FFCDRO CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001277204731 1035528251 /nfs/dbraw/zinc/52/82/51/1035528251.db2.gz VMZKNORWQSOHDM-DYESRHJHSA-N 1 0 360.498 2.858 20 10 FFCDRO O=C(c1ccco1)N1C[C@H]2C[NH+](Cc3cc(Cl)c(O)cc3O)C[C@@H]2C1 ZINC001232259965 1035530659 /nfs/dbraw/zinc/53/06/59/1035530659.db2.gz NFTNSAJIQRFUPT-CHWSQXEVSA-N 1 0 362.813 2.548 20 10 FFCDRO O=C1c2ccccc2CN1[C@H]1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232266537 1035537390 /nfs/dbraw/zinc/53/73/90/1035537390.db2.gz WCAMVWWCSKOAFH-AWEZNQCLSA-N 1 0 358.825 2.982 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c2ccccc2n1C ZINC001232400995 1035651140 /nfs/dbraw/zinc/65/11/40/1035651140.db2.gz OQIHSCVCDMADBS-OAQYLSRUSA-N 1 0 369.465 2.552 20 10 FFCDRO [O-]c1cc(F)cc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001140582055 1035663525 /nfs/dbraw/zinc/66/35/25/1035663525.db2.gz ASBZZRULMNITPC-UHFFFAOYSA-N 1 0 354.441 2.995 20 10 FFCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC001140617036 1035735835 /nfs/dbraw/zinc/73/58/35/1035735835.db2.gz AOPNWDAPHPMMKY-INIZCTEOSA-N 1 0 350.459 2.768 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OC[C@@H](C(=O)N4CCCC4)C[C@H]3C2)c1 ZINC001140619858 1035743252 /nfs/dbraw/zinc/74/32/52/1035743252.db2.gz SACZOBXIBNWXGC-CMKODMSKSA-N 1 0 358.482 2.550 20 10 FFCDRO Cc1ccc(O)c(C[N@H+]2CCc3nc(C(=O)N4CCCC4)sc3CC2)c1 ZINC001140619820 1035743580 /nfs/dbraw/zinc/74/35/80/1035743580.db2.gz PVACWMXXKUEIDB-UHFFFAOYSA-N 1 0 371.506 2.994 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCN(C(=O)c4cnccn4)C3)CC2)c1 ZINC001140622057 1035747593 /nfs/dbraw/zinc/74/75/93/1035747593.db2.gz WSDHQIQSBXMJKW-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO CCc1nnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3F)CC2)o1 ZINC001140664688 1035818222 /nfs/dbraw/zinc/81/82/22/1035818222.db2.gz PFLXOXMBRLHULB-UHFFFAOYSA-N 1 0 374.460 2.987 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001140664802 1035820676 /nfs/dbraw/zinc/82/06/76/1035820676.db2.gz SKXBESJLUKCCDG-SFHVURJKSA-N 1 0 357.429 2.711 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)c1O ZINC001140747909 1036044906 /nfs/dbraw/zinc/04/49/06/1036044906.db2.gz CUMOTKRGUSYTCH-UHFFFAOYSA-N 1 0 366.461 2.861 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001232836867 1036089079 /nfs/dbraw/zinc/08/90/79/1036089079.db2.gz VLQOMKYSTOSNIV-RDJZCZTQSA-N 1 0 361.486 2.899 20 10 FFCDRO CN(C)c1ccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001232837683 1036090453 /nfs/dbraw/zinc/09/04/53/1036090453.db2.gz LMMSRZWBMCQXOQ-PZJWPPBQSA-N 1 0 367.493 2.796 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c1 ZINC001232839047 1036094710 /nfs/dbraw/zinc/09/47/10/1036094710.db2.gz WTVBQJJDTPKKGB-DLBZAZTESA-N 1 0 357.479 2.900 20 10 FFCDRO COC(C)(C)CN1CCC2(CC[NH+](Cc3c(C)cccc3O)CC2)C1=O ZINC001277315738 1036194544 /nfs/dbraw/zinc/19/45/44/1036194544.db2.gz MNTNKMDLSLQMSU-UHFFFAOYSA-N 1 0 360.498 2.940 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001232974071 1036204653 /nfs/dbraw/zinc/20/46/53/1036204653.db2.gz HQTQOBZSNDQRAU-WFASDCNBSA-N 1 0 373.234 2.998 20 10 FFCDRO CC(C)C[NH+]1CCN(Cc2ccc(I)cc2O)CC1 ZINC001232975451 1036205647 /nfs/dbraw/zinc/20/56/47/1036205647.db2.gz CSJKOCOOUPTAFI-UHFFFAOYSA-N 1 0 374.266 2.770 20 10 FFCDRO CO[C@H]1CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001232979563 1036210787 /nfs/dbraw/zinc/21/07/87/1036210787.db2.gz GESMGLLSVNXIIE-ZDUSSCGKSA-N 1 0 361.223 2.998 20 10 FFCDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(I)cc2O)C1 ZINC001232980920 1036213827 /nfs/dbraw/zinc/21/38/27/1036213827.db2.gz YNNJMCSIPVAJSI-AWEZNQCLSA-N 1 0 374.266 2.913 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@]2(CCO2)C1 ZINC001232980203 1036214386 /nfs/dbraw/zinc/21/43/86/1036214386.db2.gz NNAXDXIBGGCTKP-AWEZNQCLSA-N 1 0 359.207 2.752 20 10 FFCDRO Cc1cc(N2CCN(Cc3cc(O)c(O)c(O)c3)CC2)c2ccccc2[nH+]1 ZINC001233010601 1036243023 /nfs/dbraw/zinc/24/30/23/1036243023.db2.gz RKVLBMDLSXLHCF-UHFFFAOYSA-N 1 0 365.433 2.982 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(CCc3ccncc3)CC2)c(O)c1 ZINC001140854894 1036289900 /nfs/dbraw/zinc/28/99/00/1036289900.db2.gz GHGHHGGPANFLJN-UHFFFAOYSA-N 1 0 368.525 2.994 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Br)c(OC)cc2O)CC12CC2 ZINC001233143158 1036395070 /nfs/dbraw/zinc/39/50/70/1036395070.db2.gz YVUPTZIZFBPHKZ-NSHDSACASA-N 1 0 370.243 2.548 20 10 FFCDRO CN1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1=O ZINC001233197747 1036433527 /nfs/dbraw/zinc/43/35/27/1036433527.db2.gz QWQDKZYLLXYRAI-UHFFFAOYSA-N 1 0 363.255 2.972 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)CC[C@@H]21 ZINC001140922370 1036457670 /nfs/dbraw/zinc/45/76/70/1036457670.db2.gz OQHMSKQRARWKKK-OALUTQOASA-N 1 0 365.905 2.618 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3Cl)CC[C@@H]21 ZINC001140922371 1036457752 /nfs/dbraw/zinc/45/77/52/1036457752.db2.gz OQHMSKQRARWKKK-RBUKOAKNSA-N 1 0 365.905 2.618 20 10 FFCDRO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c2ccccc2n1C ZINC001233272311 1036478024 /nfs/dbraw/zinc/47/80/24/1036478024.db2.gz GJLKUJROTPGMNN-OAHLLOKOSA-N 1 0 367.453 2.784 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)c(O)c1 ZINC001140952296 1036555915 /nfs/dbraw/zinc/55/59/15/1036555915.db2.gz LYNORTFKHRDGMD-QWFCFKBJSA-N 1 0 358.482 2.596 20 10 FFCDRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)c(O)c1 ZINC001140952565 1036556757 /nfs/dbraw/zinc/55/67/57/1036556757.db2.gz XLDOSOLOZAAQPM-QFIPXVFZSA-N 1 0 365.477 2.624 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c(O)c1 ZINC001140954512 1036561305 /nfs/dbraw/zinc/56/13/05/1036561305.db2.gz VIHGRONEOPEQLE-FQEVSTJZSA-N 1 0 362.470 2.912 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3O)CC2)ncn1 ZINC001233455382 1036634830 /nfs/dbraw/zinc/63/48/30/1036634830.db2.gz IOSBSBPGIQYMJY-UHFFFAOYSA-N 1 0 368.359 2.532 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233483426 1036651081 /nfs/dbraw/zinc/65/10/81/1036651081.db2.gz YXKAXCWMRTYLJD-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487419 1036655873 /nfs/dbraw/zinc/65/58/73/1036655873.db2.gz CMMDBLACPFSLCB-HNNXBMFYSA-N 1 0 369.421 2.816 20 10 FFCDRO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC001277814281 1036796133 /nfs/dbraw/zinc/79/61/33/1036796133.db2.gz YTJOUWIFTLAGPF-FVQBIDKESA-N 1 0 362.470 2.773 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N[C@H](C)C(C)=O)CC2)c(O)c1 ZINC001277827671 1036895462 /nfs/dbraw/zinc/89/54/62/1036895462.db2.gz XNDFIMKIBPENDY-KDOFPFPSSA-N 1 0 358.482 2.650 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(C)(C)OC)C3=O)c(O)c1 ZINC001277831573 1036918357 /nfs/dbraw/zinc/91/83/57/1036918357.db2.gz ZRXNUGAQHQHUGU-NRFANRHFSA-N 1 0 360.498 2.947 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)c(Cl)c1 ZINC001277833418 1036932919 /nfs/dbraw/zinc/93/29/19/1036932919.db2.gz IAWYVTGVLDPJKX-GOSISDBHSA-N 1 0 352.862 2.889 20 10 FFCDRO CC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)C1=O ZINC001277437612 1037024278 /nfs/dbraw/zinc/02/42/78/1037024278.db2.gz VFQUPUXLOQGGOV-DJJJIMSYSA-N 1 0 364.873 2.756 20 10 FFCDRO CC[NH+]1CCN(c2ccc(O[C@H](C[N+](=O)[O-])c3cccnc3)cc2)CC1 ZINC001234657897 1037126658 /nfs/dbraw/zinc/12/66/58/1037126658.db2.gz LJJNSVKCNQZPEF-LJQANCHMSA-N 1 0 356.426 2.620 20 10 FFCDRO COc1cc(C)c(C[NH2+]CC2(n3cc(Br)cn3)CC2)c(O)c1 ZINC001207482643 1037479286 /nfs/dbraw/zinc/47/92/86/1037479286.db2.gz FLPFWPSINCTAGY-UHFFFAOYSA-N 1 0 366.259 2.947 20 10 FFCDRO CC(C)(C)c1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c(O)c1 ZINC001235679558 1037676659 /nfs/dbraw/zinc/67/66/59/1037676659.db2.gz PLWMAFMBCIZLHA-UHFFFAOYSA-N 1 0 368.481 2.506 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)CC[C@H]21 ZINC001235682884 1037680297 /nfs/dbraw/zinc/68/02/97/1037680297.db2.gz RCEKYXPFCAAZCW-QUCCMNQESA-N 1 0 360.498 2.901 20 10 FFCDRO Oc1ccc2ccccc2c1C[NH+]1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001231590480 1037707022 /nfs/dbraw/zinc/70/70/22/1037707022.db2.gz DESTUYDUXRYGQY-UHFFFAOYSA-N 1 0 374.488 2.947 20 10 FFCDRO CCOCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)C)cc3O)C2)C1=O ZINC001277964773 1037710461 /nfs/dbraw/zinc/71/04/61/1037710461.db2.gz DQOFOVVFFKYGKY-OAQYLSRUSA-N 1 0 360.498 2.977 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)c1O ZINC001231591711 1037710555 /nfs/dbraw/zinc/71/05/55/1037710555.db2.gz HOKHWPHKXGGJRS-NRFANRHFSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1O ZINC001231592464 1037710584 /nfs/dbraw/zinc/71/05/84/1037710584.db2.gz NEDQRTJRCIRQOT-PMACEKPBSA-N 1 0 353.466 2.571 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1O ZINC001231592468 1037712781 /nfs/dbraw/zinc/71/27/81/1037712781.db2.gz NEDQRTJRCIRQOT-UXHICEINSA-N 1 0 353.466 2.571 20 10 FFCDRO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)c1O ZINC001231593816 1037713545 /nfs/dbraw/zinc/71/35/45/1037713545.db2.gz UYRSSRYBUVZWTF-NQIIRXRSSA-N 1 0 368.481 2.751 20 10 FFCDRO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(C)c1O ZINC001231594458 1037715215 /nfs/dbraw/zinc/71/52/15/1037715215.db2.gz IJZQYHUBZKBEBK-FQEVSTJZSA-N 1 0 368.477 2.950 20 10 FFCDRO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)c(O)cc1O ZINC001231633981 1037753932 /nfs/dbraw/zinc/75/39/32/1037753932.db2.gz FBDKJXFHLNEBHO-ZDUSSCGKSA-N 1 0 366.458 2.795 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001231843860 1037939570 /nfs/dbraw/zinc/93/95/70/1037939570.db2.gz CBNIVXUCRHYAGT-DENIHFKCSA-N 1 0 365.477 2.932 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c(O)c1 ZINC001231844249 1037940499 /nfs/dbraw/zinc/94/04/99/1037940499.db2.gz HOWVNDQFTMPTHG-UTKZUKDTSA-N 1 0 354.450 2.931 20 10 FFCDRO Fc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2F)cc1 ZINC001236124081 1037942031 /nfs/dbraw/zinc/94/20/31/1037942031.db2.gz FCIUQIJHMZXZFN-NRFANRHFSA-N 1 0 373.447 2.948 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCCN2C(=O)N(C)C)CC1 ZINC001231853414 1037951158 /nfs/dbraw/zinc/95/11/58/1037951158.db2.gz XZFKNVQMIPRYQC-UHFFFAOYSA-N 1 0 374.529 2.873 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1Cl ZINC001231870808 1037967461 /nfs/dbraw/zinc/96/74/61/1037967461.db2.gz UUYXFJQSVZQGLA-UHFFFAOYSA-N 1 0 366.889 2.861 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC001231878269 1037971742 /nfs/dbraw/zinc/97/17/42/1037971742.db2.gz HTMAYEDRCVSENN-WOJBJXKFSA-N 1 0 354.450 2.757 20 10 FFCDRO COc1cc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236238900 1038000061 /nfs/dbraw/zinc/00/00/61/1038000061.db2.gz DEOXAIUGKRKVCL-CYBMUJFWSA-N 1 0 355.276 2.880 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)cc1Br ZINC001236750215 1038234882 /nfs/dbraw/zinc/23/48/82/1038234882.db2.gz JMBDIGXMQMXZJH-JQWIXIFHSA-N 1 0 354.244 2.964 20 10 FFCDRO COc1cc(O)c(CN2CCC([NH+]3CCC(F)CC3)CC2)cc1OC ZINC001236752911 1038238079 /nfs/dbraw/zinc/23/80/79/1038238079.db2.gz XVMRIGWEUBCYSS-UHFFFAOYSA-N 1 0 352.450 2.808 20 10 FFCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236754956 1038240825 /nfs/dbraw/zinc/24/08/25/1038240825.db2.gz XXIZJNNJBUAOMV-MNOVXSKESA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1Br ZINC001236757750 1038245083 /nfs/dbraw/zinc/24/50/83/1038245083.db2.gz WYZILVNERIHIHL-INIZCTEOSA-N 1 0 355.276 2.691 20 10 FFCDRO COC(=O)[C@@H]1CCCN(Cc2cc(O)c(Br)cc2O)CC1 ZINC001236764106 1038250235 /nfs/dbraw/zinc/25/02/35/1038250235.db2.gz FNYNUXCOSWLCCQ-SNVBAGLBSA-N 1 0 358.232 2.635 20 10 FFCDRO C[C@@]1(CO)C[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[C@H]1O ZINC001236778517 1038264014 /nfs/dbraw/zinc/26/40/14/1038264014.db2.gz ICIKZHNSPFLWPL-RTWAWAEBSA-N 1 0 357.450 2.536 20 10 FFCDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(OCc2ccccc2)ccc1O ZINC001236788753 1038267652 /nfs/dbraw/zinc/26/76/52/1038267652.db2.gz KOPVEZNXDWGRMO-IBGZPJMESA-N 1 0 356.466 2.734 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)c(O)c1 ZINC001236788042 1038268597 /nfs/dbraw/zinc/26/85/97/1038268597.db2.gz YBJBABAROOBRQR-UHFFFAOYSA-N 1 0 373.541 2.719 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC(=O)NCC4CC4)OC[C@H]3C2)c(O)c1 ZINC001236787830 1038268950 /nfs/dbraw/zinc/26/89/50/1038268950.db2.gz OTXLEKCBLRYTFG-SFHLNBCPSA-N 1 0 372.509 2.708 20 10 FFCDRO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc3ccccc3cc2O)cn1 ZINC001236831794 1038296262 /nfs/dbraw/zinc/29/62/62/1038296262.db2.gz ZTGHAZYTUVDPGV-RBUKOAKNSA-N 1 0 362.433 2.659 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)[C@@H]1CCC2(C1)OCCO2 ZINC001236928960 1038360582 /nfs/dbraw/zinc/36/05/82/1038360582.db2.gz DBVZSJFCHDWHLM-QGZVFWFLSA-N 1 0 366.889 2.904 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4cc(CO)ccc4C3)c(F)c2)CC1 ZINC001236933163 1038365613 /nfs/dbraw/zinc/36/56/13/1038365613.db2.gz WEVPOPBXEHLLJR-UHFFFAOYSA-N 1 0 369.484 2.628 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001237044046 1038419465 /nfs/dbraw/zinc/41/94/65/1038419465.db2.gz WWOQMTPKMXKVSO-OALUTQOASA-N 1 0 353.466 2.750 20 10 FFCDRO O=C1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@H]2CCCN12 ZINC001237058579 1038427424 /nfs/dbraw/zinc/42/74/24/1038427424.db2.gz AUHYNDGNNSCZTQ-CYBMUJFWSA-N 1 0 358.360 2.530 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(OC)cc2Br)CC12CC2 ZINC001237068446 1038433201 /nfs/dbraw/zinc/43/32/01/1038433201.db2.gz PJESAWKDQDGSJV-GFCCVEGCSA-N 1 0 370.243 2.548 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237067799 1038433888 /nfs/dbraw/zinc/43/38/88/1038433888.db2.gz LDEFJSMTQQATFW-NSHDSACASA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(Br)c1 ZINC001237070709 1038434523 /nfs/dbraw/zinc/43/45/23/1038434523.db2.gz ORRJGBWQVQDHPJ-BDJLRTHQSA-N 1 0 355.276 2.547 20 10 FFCDRO O=C([C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1Cl)N1CCOCC1 ZINC001237083177 1038439761 /nfs/dbraw/zinc/43/97/61/1038439761.db2.gz ZRARHOYAJJOAQV-AWEZNQCLSA-N 1 0 373.280 2.912 20 10 FFCDRO CSCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001237092943 1038441985 /nfs/dbraw/zinc/44/19/85/1038441985.db2.gz LXSYQHSVEHVCKI-UHFFFAOYSA-N 1 0 372.376 2.996 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@H]2CN1c1cccnc1 ZINC001237123941 1038450854 /nfs/dbraw/zinc/45/08/54/1038450854.db2.gz IAGGRXYSTJLPJQ-AAEUAGOBSA-N 1 0 361.804 2.675 20 10 FFCDRO CN1C(=O)CCC12CC[NH+](Cc1c(O)cccc1OC(F)(F)F)CC2 ZINC001237126147 1038451929 /nfs/dbraw/zinc/45/19/29/1038451929.db2.gz VTCVFLVZXWDYAI-UHFFFAOYSA-N 1 0 358.360 2.878 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@H]21 ZINC001278615167 1038816916 /nfs/dbraw/zinc/81/69/16/1038816916.db2.gz MQIVLFLWZAOHMX-AEFFLSMTSA-N 1 0 359.495 2.551 20 10 FFCDRO Cc1ncsc1CN1CCO[C@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@@H]21 ZINC001278615168 1038818263 /nfs/dbraw/zinc/81/82/63/1038818263.db2.gz MQIVLFLWZAOHMX-WMZOPIPTSA-N 1 0 359.495 2.551 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NCC(F)(F)F)c1 ZINC001278617083 1038843175 /nfs/dbraw/zinc/84/31/75/1038843175.db2.gz PZXJMXAOIVPRON-KBPBESRZSA-N 1 0 357.376 2.621 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)cc1 ZINC001209520434 1038952203 /nfs/dbraw/zinc/95/22/03/1038952203.db2.gz WLZFRDCOIVKPBR-UHFFFAOYSA-N 1 0 350.422 2.854 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001251303300 1039058200 /nfs/dbraw/zinc/05/82/00/1039058200.db2.gz PAGQEXXEEDBFMF-HXUWFJFHSA-N 1 0 362.470 2.512 20 10 FFCDRO O=C1c2cccc(NCC3(O)CC[NH2+]CC3)c2C(=O)c2cccc(Cl)c21 ZINC001245964663 1039167433 /nfs/dbraw/zinc/16/74/33/1039167433.db2.gz BWOWHWRAVUFAGA-UHFFFAOYSA-N 1 0 370.836 2.642 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001245987271 1039176073 /nfs/dbraw/zinc/17/60/73/1039176073.db2.gz KOYLHSKZVHEKEV-LJQANCHMSA-N 1 0 356.466 2.874 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001245987269 1039177195 /nfs/dbraw/zinc/17/71/95/1039177195.db2.gz KOYLHSKZVHEKEV-IBGZPJMESA-N 1 0 356.466 2.874 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCN1 ZINC001210052274 1039353606 /nfs/dbraw/zinc/35/36/06/1039353606.db2.gz YZDXYMAYSUJRQK-CQSZACIVSA-N 1 0 365.271 2.728 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001252243549 1039464327 /nfs/dbraw/zinc/46/43/27/1039464327.db2.gz OOMGLAPWKQGJMB-UHFFFAOYSA-N 1 0 360.479 2.644 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)c1O ZINC001276683310 1039516011 /nfs/dbraw/zinc/51/60/11/1039516011.db2.gz JSPSEZCIICCXPW-RTBURBONSA-N 1 0 351.450 2.861 20 10 FFCDRO COC[C@H]1C[NH2+]CCN1Cc1c(O)ccc2cc(Br)ccc21 ZINC001210531432 1039596804 /nfs/dbraw/zinc/59/68/04/1039596804.db2.gz SAXFEAAKICSSIB-CQSZACIVSA-N 1 0 365.271 2.728 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CCCC3(C[NH+](C)C3)C2)c1 ZINC001278731682 1040252353 /nfs/dbraw/zinc/25/23/53/1040252353.db2.gz LEIGRUCTOKITGT-UHFFFAOYSA-N 1 0 353.466 2.968 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC001254715838 1040904171 /nfs/dbraw/zinc/90/41/71/1040904171.db2.gz ATDZHYDSRLDOKZ-UYAOXDASSA-N 1 0 356.514 2.913 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c(O)c1 ZINC001249725942 1040965653 /nfs/dbraw/zinc/96/56/53/1040965653.db2.gz UTUAUZOUMYKJIE-OAHLLOKOSA-N 1 0 363.454 2.915 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCOC[C@H]2CC)c(O)c1 ZINC001249735612 1040970266 /nfs/dbraw/zinc/97/02/66/1040970266.db2.gz SDMRGAAILIWAQZ-MRXNPFEDSA-N 1 0 351.443 2.725 20 10 FFCDRO O=c1cccc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(Cl)cc2O)C3)[nH]1 ZINC001278554613 1041132301 /nfs/dbraw/zinc/13/23/01/1041132301.db2.gz XQTSNEQIRKBPFI-DYVFJYSZSA-N 1 0 359.857 2.853 20 10 FFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001278558823 1041154380 /nfs/dbraw/zinc/15/43/80/1041154380.db2.gz ZMLAIJFWDGFIMY-UHFFFAOYSA-N 1 0 354.878 2.564 20 10 FFCDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001262110060 1041563794 /nfs/dbraw/zinc/56/37/94/1041563794.db2.gz PJIXFEOOTBIENW-LLVKDONJSA-N 1 0 350.369 2.732 20 10 FFCDRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cccc(O)c3O)n2)CC1 ZINC001215145810 1041678784 /nfs/dbraw/zinc/67/87/84/1041678784.db2.gz KKHDFTDYKFBXAE-UHFFFAOYSA-N 1 0 352.394 2.567 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4ccc(O)c(O)c4)n3)c2)CC1 ZINC001215304449 1041730689 /nfs/dbraw/zinc/73/06/89/1041730689.db2.gz NZWJOFZCZKEFOH-UHFFFAOYSA-N 1 0 366.421 2.562 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC001279191899 1042940180 /nfs/dbraw/zinc/94/01/80/1042940180.db2.gz CTAFOKLKAOAYRJ-UHFFFAOYSA-N 1 0 357.429 2.527 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CN(Cc3ccc[nH]3)CCO2)C1 ZINC001279197584 1042941570 /nfs/dbraw/zinc/94/15/70/1042941570.db2.gz WLJROADNOQRTIU-FQEVSTJZSA-N 1 0 359.445 2.726 20 10 FFCDRO c1n[nH]cc1CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279231846 1042956850 /nfs/dbraw/zinc/95/68/50/1042956850.db2.gz VXDXOZPAKMVKEF-OYRHEFFESA-N 1 0 351.498 2.859 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001279293265 1042987781 /nfs/dbraw/zinc/98/77/81/1042987781.db2.gz GAYZTHHIZIMJGK-PMACEKPBSA-N 1 0 356.466 2.815 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2CC3(CN(C(=O)[C@H]4C=CCC=C4C)C3)C2)c1O ZINC001279314476 1042996825 /nfs/dbraw/zinc/99/68/25/1042996825.db2.gz VHDQDYFGHMZFOV-KRWDZBQOSA-N 1 0 354.450 2.573 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001237214128 1043055703 /nfs/dbraw/zinc/05/57/03/1043055703.db2.gz CKIZJRHYXBGVNJ-YLJYHZDGSA-N 1 0 350.503 2.584 20 10 FFCDRO COc1ccc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c(C)c1 ZINC001278090939 1043129641 /nfs/dbraw/zinc/12/96/41/1043129641.db2.gz NLPPAKNMJVDACX-UHFFFAOYSA-N 1 0 359.514 2.774 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)[C@@H]2C1 ZINC001279473458 1043155525 /nfs/dbraw/zinc/15/55/25/1043155525.db2.gz BZKARJIHDQXLCN-QFBILLFUSA-N 1 0 362.514 2.816 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CCC12C[NH2+]C2 ZINC001237432179 1043158655 /nfs/dbraw/zinc/15/86/55/1043158655.db2.gz UIQPYTZCZGPPOC-LBPRGKRZSA-N 1 0 373.280 2.674 20 10 FFCDRO CCOc1cccc(CN2CC[NH2+]C[C@@H]2c2cccc(C(=O)OC)c2)c1O ZINC001237435476 1043159925 /nfs/dbraw/zinc/15/99/25/1043159925.db2.gz HRSQFWDCOUPRAH-GOSISDBHSA-N 1 0 370.449 2.724 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001237486353 1043198203 /nfs/dbraw/zinc/19/82/03/1043198203.db2.gz RAFMJPDSXOKGLP-LPHOPBHVSA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001237486356 1043198546 /nfs/dbraw/zinc/19/85/46/1043198546.db2.gz RAFMJPDSXOKGLP-VQIMIIECSA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001237487230 1043200075 /nfs/dbraw/zinc/20/00/75/1043200075.db2.gz XBYFSYIZCCHXJS-CDXJDZJCSA-N 1 0 358.482 2.596 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001237488474 1043203818 /nfs/dbraw/zinc/20/38/18/1043203818.db2.gz LXCBEVXSDWCLLB-RTBURBONSA-N 1 0 353.466 2.571 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4COC[C@H](C3)N4C3CCCC3)ccc21 ZINC001279551895 1043247873 /nfs/dbraw/zinc/24/78/73/1043247873.db2.gz UZFQEBNTXPINEO-OYRHEFFESA-N 1 0 355.526 2.897 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)cc1Cl ZINC001279571309 1043275195 /nfs/dbraw/zinc/27/51/95/1043275195.db2.gz HFLBWWAGAZFGCE-GJZGRUSLSA-N 1 0 367.877 2.821 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)NC(C)C)C[C@H]32)cc1Cl ZINC001279571921 1043275967 /nfs/dbraw/zinc/27/59/67/1043275967.db2.gz QPIOYZMSVAWSQI-SWLSCSKDSA-N 1 0 367.877 2.678 20 10 FFCDRO O=C1COCC2(CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)N1 ZINC001237640872 1043288338 /nfs/dbraw/zinc/28/83/38/1043288338.db2.gz HFZCECHPHDZVQB-UHFFFAOYSA-N 1 0 370.424 2.679 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c(O)c(OC)c1 ZINC001237674757 1043303464 /nfs/dbraw/zinc/30/34/64/1043303464.db2.gz XUPNFVZIRFPMMS-JKSUJKDBSA-N 1 0 374.462 2.851 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc(I)c3O)C[C@H]21 ZINC001237784765 1043356140 /nfs/dbraw/zinc/35/61/40/1043356140.db2.gz YTJHLRKVNVIUFE-BXUZGUMPSA-N 1 0 372.250 2.523 20 10 FFCDRO CCOc1ccc(C[NH+]2CC3(CN(C(=O)Cc4ccsc4)C3)C2)c(O)c1 ZINC001279670720 1043439261 /nfs/dbraw/zinc/43/92/61/1043439261.db2.gz ATPOQXCBGGRXBU-UHFFFAOYSA-N 1 0 372.490 2.739 20 10 FFCDRO Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2ccc(N(C)C)cc2)C3)c1C ZINC001279744925 1043575401 /nfs/dbraw/zinc/57/54/01/1043575401.db2.gz YICDXNBFOYIWDA-KRWDZBQOSA-N 1 0 354.454 2.818 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(F)(C3CC3)C2)cc1 ZINC001279744607 1043576008 /nfs/dbraw/zinc/57/60/08/1043576008.db2.gz UCLVZRZNWOZRGI-LAUBAEHRSA-N 1 0 357.473 2.678 20 10 FFCDRO COc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001310120354 1043638880 /nfs/dbraw/zinc/63/88/80/1043638880.db2.gz OKBRVWCTILEJHF-KRWDZBQOSA-N 1 0 357.458 2.581 20 10 FFCDRO COc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001310120355 1043639027 /nfs/dbraw/zinc/63/90/27/1043639027.db2.gz OKBRVWCTILEJHF-QGZVFWFLSA-N 1 0 357.458 2.581 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(N)=O)cc1 ZINC001279853545 1043778719 /nfs/dbraw/zinc/77/87/19/1043778719.db2.gz FLPQEBPPMDPASU-SFHVURJKSA-N 1 0 355.507 2.887 20 10 FFCDRO C[C@H]1CN(C(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cc(Cl)ccc2O)C3)C[C@H](C)O1 ZINC001279983861 1044037108 /nfs/dbraw/zinc/03/71/08/1044037108.db2.gz UGOXKAXPXDYXRJ-CTQRGLTFSA-N 1 0 364.873 2.503 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001239119880 1044039127 /nfs/dbraw/zinc/03/91/27/1044039127.db2.gz ZUEOTOJVZGWTIP-YYZBOFOMSA-N 1 0 373.482 2.890 20 10 FFCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C3CC(F)(F)C3)C2)c(O)c1 ZINC001280046032 1044133140 /nfs/dbraw/zinc/13/31/40/1044133140.db2.gz GCJONZZPRJLSSD-HNNXBMFYSA-N 1 0 350.409 2.779 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCC[C@H]3C(=O)Nc3nnco3)C2)c(O)c1 ZINC001280047229 1044135918 /nfs/dbraw/zinc/13/59/18/1044135918.db2.gz BUQDIIUSLFDFAE-HNAYVOBHSA-N 1 0 356.426 2.715 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCOC[C@H]3C(=O)NC(C)(C)C)c1O ZINC001280346682 1044635964 /nfs/dbraw/zinc/63/59/64/1044635964.db2.gz PMOCONVTKFPQTH-KRWDZBQOSA-N 1 0 360.498 2.762 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC001319434960 1045149174 /nfs/dbraw/zinc/14/91/74/1045149174.db2.gz NSHIFBMQVSMXFJ-IBGZPJMESA-N 1 0 363.889 2.790 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3cccnc3n2)[NH+](C)C)cc1 ZINC001539708103 1070685306 /nfs/dbraw/zinc/68/53/06/1070685306.db2.gz XBAZMWORALMWGX-IBGZPJMESA-N 1 0 363.465 2.729 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001323205011 1046383705 /nfs/dbraw/zinc/38/37/05/1046383705.db2.gz JMZXDFHDPCXNNX-UHFFFAOYSA-N 1 0 373.210 2.665 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CCOC[C@H]2CCOC2)ccc1N1CCCCC1 ZINC000731679074 1047329677 /nfs/dbraw/zinc/32/96/77/1047329677.db2.gz XQBFCUUMJIOKOZ-KRWDZBQOSA-N 1 0 363.458 2.728 20 10 FFCDRO CC(C)Oc1cccnc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288334262 1047449298 /nfs/dbraw/zinc/44/92/98/1047449298.db2.gz DXAYTEIWFCZOFN-UHFFFAOYSA-N 1 0 368.481 2.551 20 10 FFCDRO Cc1cnc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c(C)c1 ZINC001329114552 1048581815 /nfs/dbraw/zinc/58/18/15/1048581815.db2.gz QFAPQMDTHWGLSD-UHFFFAOYSA-N 1 0 356.489 2.922 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c[nH+]cn4c3C)C2)cc1 ZINC001329153295 1048597112 /nfs/dbraw/zinc/59/71/12/1048597112.db2.gz XESLOMJMYVNXPK-MRXNPFEDSA-N 1 0 364.449 2.908 20 10 FFCDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)n(C)n1 ZINC001329159752 1048600627 /nfs/dbraw/zinc/60/06/27/1048600627.db2.gz RBEWEWGMHRFELP-OAHLLOKOSA-N 1 0 363.456 2.831 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)n1ccnc1 ZINC001340663473 1051036122 /nfs/dbraw/zinc/03/61/22/1051036122.db2.gz QSDVTPICCBNRFP-NSHDSACASA-N 1 0 352.232 2.961 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC4(C[NH2+]C4)CC3)ccc21 ZINC001340691097 1051057927 /nfs/dbraw/zinc/05/79/27/1051057927.db2.gz HNWIDMKHRSIMCB-UHFFFAOYSA-N 1 0 355.482 2.730 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC001308197647 1052429780 /nfs/dbraw/zinc/42/97/80/1052429780.db2.gz NKXPEGUVPJXJEG-UHFFFAOYSA-N 1 0 356.514 2.567 20 10 FFCDRO CCc1ccccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001308459480 1052458689 /nfs/dbraw/zinc/45/86/89/1052458689.db2.gz GWDIPVKHAWTHQU-UHFFFAOYSA-N 1 0 358.507 2.774 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCOCCCNC(=O)OC(C)(C)C)cc1F ZINC001308484458 1052459713 /nfs/dbraw/zinc/45/97/13/1052459713.db2.gz QNPVCQKFUKIALN-UHFFFAOYSA-N 1 0 369.481 2.913 20 10 FFCDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001308629865 1052479430 /nfs/dbraw/zinc/47/94/30/1052479430.db2.gz ZGIDKGWSNQNTIH-UHFFFAOYSA-N 1 0 354.516 2.762 20 10 FFCDRO CC[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC[NH2+]C1 ZINC001345781369 1052610499 /nfs/dbraw/zinc/61/04/99/1052610499.db2.gz SXHMKVPFPFBEAB-LIRRHRJNSA-N 1 0 367.440 2.763 20 10 FFCDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001346584158 1053128431 /nfs/dbraw/zinc/12/84/31/1053128431.db2.gz LHNKZRIWJGPXOQ-YFVAEKQCSA-N 1 0 373.497 2.615 20 10 FFCDRO O=C(NCc1cccc(O)c1O)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001347235414 1053743290 /nfs/dbraw/zinc/74/32/90/1053743290.db2.gz VUNWOWZKTZKCCA-QGZVFWFLSA-N 1 0 358.413 2.908 20 10 FFCDRO CN(C(=O)NCc1ccc(N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001336290073 1053902488 /nfs/dbraw/zinc/90/24/88/1053902488.db2.gz GUVNSZLAIMFMSR-UHFFFAOYSA-N 1 0 367.497 2.512 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]C[C@@H](O)C2CC2)NC(=O)OC(C)(C)C)cc1 ZINC001336733428 1054175205 /nfs/dbraw/zinc/17/52/05/1054175205.db2.gz QLCXRPZWEOYHSJ-ZWKOTPCHSA-N 1 0 363.502 2.679 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCNc3ccccc32)cc1 ZINC001338368201 1055451984 /nfs/dbraw/zinc/45/19/84/1055451984.db2.gz FKHKIHCOHCLRJG-QFBILLFUSA-N 1 0 352.482 2.858 20 10 FFCDRO C[C@H]1CC[N@H+](CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000847425297 1055755504 /nfs/dbraw/zinc/75/55/04/1055755504.db2.gz FRTHNNMAPREAKG-AWEZNQCLSA-N 1 0 367.440 2.715 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC001357338656 1055870794 /nfs/dbraw/zinc/87/07/94/1055870794.db2.gz UQBJGUOCPLGKBK-CEWLAPEOSA-N 1 0 371.525 2.650 20 10 FFCDRO COC(=O)N1CCC(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC001351511202 1056301213 /nfs/dbraw/zinc/30/12/13/1056301213.db2.gz LDXNSCMZVKMYAU-UHFFFAOYSA-N 1 0 357.248 2.723 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)cc1 ZINC001353330426 1056301688 /nfs/dbraw/zinc/30/16/88/1056301688.db2.gz SJQQVJDBYWCIQM-SMDDNHRTSA-N 1 0 368.346 2.812 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC001353330185 1056302667 /nfs/dbraw/zinc/30/26/67/1056302667.db2.gz RPYWUQJJVANCQI-DNVCBOLYSA-N 1 0 357.410 2.505 20 10 FFCDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC001353668094 1056622069 /nfs/dbraw/zinc/62/20/69/1056622069.db2.gz XGKPNIAUQYWDIG-FTRWYGJKSA-N 1 0 356.466 2.698 20 10 FFCDRO CCO[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001545632569 1071823441 /nfs/dbraw/zinc/82/34/41/1071823441.db2.gz PGFGCZVXZOCDPL-DGCUDZEOSA-N 1 0 366.889 2.797 20 10 FFCDRO Cc1cc(C(=O)NCC[N@H+](C)CCO)c(C)n1-c1cccc(C(C)C)c1 ZINC001455782123 1059911799 /nfs/dbraw/zinc/91/17/99/1059911799.db2.gz PYJUFENGEDMWPU-UHFFFAOYSA-N 1 0 357.498 2.871 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H]2C[N@@H+](C)CC2(C)C)cc1 ZINC001456180336 1060038554 /nfs/dbraw/zinc/03/85/54/1060038554.db2.gz UZOYEPVQGPXOQN-FQEVSTJZSA-N 1 0 367.493 2.906 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cn3cc(-c4ccncn4)cn3)CC2)cc1 ZINC000848474619 1060094048 /nfs/dbraw/zinc/09/40/48/1060094048.db2.gz FFERKRCIOUPBPF-UHFFFAOYSA-N 1 0 364.453 2.519 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cccc3[nH]cnc32)[NH+](C)C)cc1 ZINC001456929149 1060230305 /nfs/dbraw/zinc/23/03/05/1060230305.db2.gz GJYHBADHVCWPAR-SFHVURJKSA-N 1 0 351.454 2.662 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001521560843 1060968494 /nfs/dbraw/zinc/96/84/94/1060968494.db2.gz JAIFVPAOJCTGLH-UHFFFAOYSA-N 1 0 365.481 2.910 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc4cnccn34)cc2F)C[C@H](C)O1 ZINC001461064653 1061201365 /nfs/dbraw/zinc/20/13/65/1061201365.db2.gz CVERDOJJELXPLH-GASCZTMLSA-N 1 0 369.444 2.772 20 10 FFCDRO COc1ccc(C[NH2+]CC2(OCCO)CCCCC2)cc1Cn1cccn1 ZINC001461794115 1061409181 /nfs/dbraw/zinc/40/91/81/1061409181.db2.gz HETAGYOUKCRNHQ-UHFFFAOYSA-N 1 0 373.497 2.741 20 10 FFCDRO COc1ccc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c(O)c1OC ZINC001462216853 1061539975 /nfs/dbraw/zinc/53/99/75/1061539975.db2.gz RPKULSHETVIJQJ-GOSISDBHSA-N 1 0 356.466 2.768 20 10 FFCDRO COc1c(O)c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC001462506609 1061651721 /nfs/dbraw/zinc/65/17/21/1061651721.db2.gz RGPUJBBAQOYDAC-UHFFFAOYSA-N 1 0 369.421 2.627 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3C(C)C)cc2F)CC1 ZINC001477802119 1061807725 /nfs/dbraw/zinc/80/77/25/1061807725.db2.gz OQEHVVYHTMWALF-FUHWJXTLSA-N 1 0 362.493 2.811 20 10 FFCDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3cccc(Br)c3O)C[N@@H+]2C1 ZINC001528323182 1061859440 /nfs/dbraw/zinc/85/94/40/1061859440.db2.gz PFBRRMNNBWMCCB-XBFCOCLRSA-N 1 0 367.287 2.891 20 10 FFCDRO CN(c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1)C1CCCCC1 ZINC001464534381 1062670473 /nfs/dbraw/zinc/67/04/73/1062670473.db2.gz ARHATTHWMOHKSI-PZJWPPBQSA-N 1 0 359.514 2.527 20 10 FFCDRO CO[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465952155 1063275886 /nfs/dbraw/zinc/27/58/86/1063275886.db2.gz WJRDROLIQLUAOG-XYJFISCASA-N 1 0 366.889 2.941 20 10 FFCDRO CC(C)Nc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001533682239 1063372633 /nfs/dbraw/zinc/37/26/33/1063372633.db2.gz BLYRKSKYPOGBPU-UHFFFAOYSA-N 1 0 367.497 2.584 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccc(O)cc2)[NH+](C)C)cc1 ZINC001472280726 1064998245 /nfs/dbraw/zinc/99/82/45/1064998245.db2.gz LHPVDYGYVPLTAG-HGEVBOJVSA-N 1 0 353.466 2.891 20 10 FFCDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001575838598 1078169841 /nfs/dbraw/zinc/16/98/41/1078169841.db2.gz BDMWQHVUFCKILW-CQSZACIVSA-N 1 0 352.442 2.891 20 10 FFCDRO CC(C)c1nnc(N2CC[NH2+][C@H](C)C2)n1CCCSc1nccs1 ZINC001575883727 1078173107 /nfs/dbraw/zinc/17/31/07/1078173107.db2.gz CKZNJIVARQYCBU-CYBMUJFWSA-N 1 0 366.560 2.839 20 10 FFCDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001473908876 1065416795 /nfs/dbraw/zinc/41/67/95/1065416795.db2.gz DHJMKRLATAMYTQ-UHFFFAOYSA-N 1 0 359.493 2.571 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCCC2)cc1)Cc1ccccc1 ZINC001473964688 1065429367 /nfs/dbraw/zinc/42/93/67/1065429367.db2.gz JZFXGNYTMSFJNN-UHFFFAOYSA-N 1 0 358.507 2.991 20 10 FFCDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O ZINC001474276433 1065483119 /nfs/dbraw/zinc/48/31/19/1065483119.db2.gz WBQULBDIFIFUAC-MRXNPFEDSA-N 1 0 360.458 2.686 20 10 FFCDRO COC(=O)[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)CC1CCCC1 ZINC001474742432 1065595221 /nfs/dbraw/zinc/59/52/21/1065595221.db2.gz RORQYRNADAFDSV-HNNXBMFYSA-N 1 0 351.443 2.869 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001579590329 1078646866 /nfs/dbraw/zinc/64/68/66/1078646866.db2.gz XYEPSYLUSLIUDK-UTKZUKDTSA-N 1 0 351.450 2.860 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC001579590346 1078646951 /nfs/dbraw/zinc/64/69/51/1078646951.db2.gz YACXZLIENQOYQP-SFHVURJKSA-N 1 0 353.466 2.646 20 10 FFCDRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC001580216470 1078766969 /nfs/dbraw/zinc/76/69/69/1078766969.db2.gz ZRDWGEWOVJOGSN-SJLPKXTDSA-N 1 0 354.450 2.910 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC001583475442 1079220581 /nfs/dbraw/zinc/22/05/81/1079220581.db2.gz GZBJUPSUNHTUBO-NRFANRHFSA-N 1 0 367.468 2.924 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001557898530 1075907677 /nfs/dbraw/zinc/90/76/77/1075907677.db2.gz WBCJRJGLLLKDPK-OJYYBLKUSA-N 1 0 366.461 2.995 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CN(c3ccccc3)CCO2)cc1 ZINC001559966951 1076208286 /nfs/dbraw/zinc/20/82/86/1076208286.db2.gz PIAVDPRACVXSDH-JOCHJYFZSA-N 1 0 369.509 2.969 20 10 FFCDRO Cc1cccc(C(=O)NCC[NH2+]Cc2c(O)cccc2Br)c1 ZINC001560286528 1076260034 /nfs/dbraw/zinc/26/00/34/1076260034.db2.gz LJJGMXRVEIFLFA-UHFFFAOYSA-N 1 0 363.255 2.983 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)cc1F ZINC001560546491 1076278605 /nfs/dbraw/zinc/27/86/05/1076278605.db2.gz XMBRWZPBYWLPHV-FQEVSTJZSA-N 1 0 370.516 2.798 20 10 FFCDRO CCN(CC[NH2+]Cc1ccc(OC)c(OC)c1O)CCC(F)(F)F ZINC001560753389 1076297142 /nfs/dbraw/zinc/29/71/42/1076297142.db2.gz DWTRZKBWOAVPLR-UHFFFAOYSA-N 1 0 350.381 2.773 20 10 FFCDRO CCCCN(O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001564370810 1076628284 /nfs/dbraw/zinc/62/82/84/1076628284.db2.gz WBUNJXHRWVUVST-UHFFFAOYSA-N 1 0 360.502 2.920 20 10 FFCDRO CCC(C)(C)[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001566433932 1076960441 /nfs/dbraw/zinc/96/04/41/1076960441.db2.gz AFQDWNOOJJMMPT-FQEVSTJZSA-N 1 0 373.541 2.632 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001587459975 1079795810 /nfs/dbraw/zinc/79/58/10/1079795810.db2.gz MUVVBZMRMBLVKK-IBGZPJMESA-N 1 0 359.514 2.602 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001587547126 1079811574 /nfs/dbraw/zinc/81/15/74/1079811574.db2.gz DYQZBKFNQFLPIX-QGZVFWFLSA-N 1 0 351.410 2.853 20 10 FFCDRO COc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC000366831584 512206558 /nfs/dbraw/zinc/20/65/58/512206558.db2.gz VFIGYRUCOGXCDD-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(O)c1 ZINC000369081617 512219045 /nfs/dbraw/zinc/21/90/45/512219045.db2.gz CCWXUZJYDIKWJI-MJGOQNOKSA-N 1 0 355.438 2.645 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114512475 508323640 /nfs/dbraw/zinc/32/36/40/508323640.db2.gz PCNHPLURNLJDAI-UHFFFAOYSA-N 1 0 369.465 2.865 20 10 FFCDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000130266593 508808439 /nfs/dbraw/zinc/80/84/39/508808439.db2.gz IMPMWFULEOQYCW-APWZRJJASA-N 1 0 358.457 2.917 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000371479144 512427052 /nfs/dbraw/zinc/42/70/52/512427052.db2.gz DKHYGKIIDXXFRU-UVFQYZLESA-N 1 0 358.486 2.514 20 10 FFCDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000155822019 509076983 /nfs/dbraw/zinc/07/69/83/509076983.db2.gz KFAFSHWYKAJBTF-MRXNPFEDSA-N 1 0 353.466 2.734 20 10 FFCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000121507195 509177135 /nfs/dbraw/zinc/17/71/35/509177135.db2.gz UJBJJYRZBZDZAK-IBGZPJMESA-N 1 0 356.514 2.840 20 10 FFCDRO COC(=O)C1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000192440075 509517592 /nfs/dbraw/zinc/51/75/92/509517592.db2.gz DPLMUWAYFWMPPK-UHFFFAOYSA-N 1 0 360.498 2.717 20 10 FFCDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000182964666 509519886 /nfs/dbraw/zinc/51/98/86/509519886.db2.gz ZQTUJNOOGXDYJE-UHFFFAOYSA-N 1 0 364.486 2.617 20 10 FFCDRO CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)ccc1O ZINC000186293960 509628057 /nfs/dbraw/zinc/62/80/57/509628057.db2.gz RPAQFUZCZATZOW-CQSZACIVSA-N 1 0 358.276 2.985 20 10 FFCDRO C[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccccc1O ZINC000264674365 509637592 /nfs/dbraw/zinc/63/75/92/509637592.db2.gz ABPLVPMBPXMLFD-UHFFFAOYSA-N 1 0 355.463 2.793 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000237452604 509650685 /nfs/dbraw/zinc/65/06/85/509650685.db2.gz LHYDWJCSXURPIC-KRWDZBQOSA-N 1 0 353.466 2.904 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000264793087 509709234 /nfs/dbraw/zinc/70/92/34/509709234.db2.gz SZPVHEYNODHHEY-UHFFFAOYSA-N 1 0 368.525 2.804 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000189838751 509779185 /nfs/dbraw/zinc/77/91/85/509779185.db2.gz BRWIIMOOSQIFSC-UHFFFAOYSA-N 1 0 362.401 2.987 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000268149425 509782123 /nfs/dbraw/zinc/78/21/23/509782123.db2.gz WFRMJMKNEUTKKB-SFHVURJKSA-N 1 0 364.449 2.902 20 10 FFCDRO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000237944754 509782691 /nfs/dbraw/zinc/78/26/91/509782691.db2.gz PRPSBCYTRZKTAU-MGPQQGTHSA-N 1 0 353.413 2.500 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCC2(CC1)OCCO2 ZINC000190174738 509986685 /nfs/dbraw/zinc/98/66/85/509986685.db2.gz RCPDBMADIKDYGN-UHFFFAOYSA-N 1 0 360.498 2.888 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174283714 510038255 /nfs/dbraw/zinc/03/82/55/510038255.db2.gz NZEPRGUVYCNXPK-IBGZPJMESA-N 1 0 354.498 2.690 20 10 FFCDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000268844379 510095918 /nfs/dbraw/zinc/09/59/18/510095918.db2.gz BGYZWMKTRXAZAY-PXNSSMCTSA-N 1 0 358.530 2.667 20 10 FFCDRO CCS(=O)(=O)CCCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000190417754 510119413 /nfs/dbraw/zinc/11/94/13/510119413.db2.gz NVTFLYGWEGQDDO-UHFFFAOYSA-N 1 0 368.543 2.812 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cc(C)on3)cc2F)CC1 ZINC000171687126 510306574 /nfs/dbraw/zinc/30/65/74/510306574.db2.gz UOXDIONACDBGFQ-UHFFFAOYSA-N 1 0 361.421 2.586 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000269260726 510313551 /nfs/dbraw/zinc/31/35/51/510313551.db2.gz VTRVLKRLYCZKEL-SRABZTEZSA-N 1 0 363.477 2.573 20 10 FFCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000175226051 510542268 /nfs/dbraw/zinc/54/22/68/510542268.db2.gz FLMYFWMOIBNUQF-IBGZPJMESA-N 1 0 356.514 2.936 20 10 FFCDRO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000184958586 510604920 /nfs/dbraw/zinc/60/49/20/510604920.db2.gz HOGXZWLQSRDRIM-NSHDSACASA-N 1 0 354.859 2.586 20 10 FFCDRO Cc1cc(C(=O)N2CCC([N@H+](C)CCO)CC2)c(C)n1-c1ccccc1 ZINC000270436240 510809331 /nfs/dbraw/zinc/80/93/31/510809331.db2.gz GZAVAHNPOTUXHD-UHFFFAOYSA-N 1 0 355.482 2.623 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1OC ZINC000182219102 510818438 /nfs/dbraw/zinc/81/84/38/510818438.db2.gz KZUSBOBRMGSOFA-SFHVURJKSA-N 1 0 353.365 2.685 20 10 FFCDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000277178094 510955941 /nfs/dbraw/zinc/95/59/41/510955941.db2.gz LDZOAWXJVHOGAO-UHFFFAOYSA-N 1 0 371.529 2.540 20 10 FFCDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000278110945 510981935 /nfs/dbraw/zinc/98/19/35/510981935.db2.gz SJZROFMMRCMNQL-XLIONFOSSA-N 1 0 350.503 2.521 20 10 FFCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000285734659 511013676 /nfs/dbraw/zinc/01/36/76/511013676.db2.gz JDLLHQAFYHCQIH-HSADQJOGSA-N 1 0 369.509 2.622 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1O ZINC000288143483 511065410 /nfs/dbraw/zinc/06/54/10/511065410.db2.gz NJBHRPNWGJGOTB-KSSFIOAISA-N 1 0 357.454 2.891 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000271042586 511066337 /nfs/dbraw/zinc/06/63/37/511066337.db2.gz ODLOOIDXEUDZLB-FQEVSTJZSA-N 1 0 359.514 2.745 20 10 FFCDRO COc1ccc(C[C@@](C)(O)C[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000289865003 511117184 /nfs/dbraw/zinc/11/71/84/511117184.db2.gz QRJQEEYYBVJWAL-OAQYLSRUSA-N 1 0 357.450 2.722 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000290207762 511130732 /nfs/dbraw/zinc/13/07/32/511130732.db2.gz VNTVJSAXLRQWQO-LBPRGKRZSA-N 1 0 364.433 2.686 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)c1 ZINC000283012241 511199903 /nfs/dbraw/zinc/19/99/03/511199903.db2.gz OVNYBFMCXNJZLW-KRWDZBQOSA-N 1 0 370.449 2.560 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[S@](=O)[C@@H](C)[C@H]3C)cc2)CC1 ZINC000294869695 511203836 /nfs/dbraw/zinc/20/38/36/511203836.db2.gz DQYRRGQWRDBQQC-YPCHGGDPSA-N 1 0 350.528 2.643 20 10 FFCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272651944 511502501 /nfs/dbraw/zinc/50/25/01/511502501.db2.gz NCWDXWVLYCLXSK-XSFOEPMVSA-N 1 0 352.434 2.844 20 10 FFCDRO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000292216246 511509600 /nfs/dbraw/zinc/50/96/00/511509600.db2.gz ZJLMXAPXRWNWFW-CABCVRRESA-N 1 0 367.440 2.905 20 10 FFCDRO C[C@H](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000273230957 511520614 /nfs/dbraw/zinc/52/06/14/511520614.db2.gz VIAHPCFTOLAJHE-GOSISDBHSA-N 1 0 374.529 2.587 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000295809536 511521477 /nfs/dbraw/zinc/52/14/77/511521477.db2.gz CRKRDYWQYWHJPE-GOSISDBHSA-N 1 0 374.506 2.997 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c(O)c1 ZINC000273384835 511523329 /nfs/dbraw/zinc/52/33/29/511523329.db2.gz JCGQFELCMZQOAU-QGZVFWFLSA-N 1 0 367.493 2.939 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c(O)c1C ZINC000273426020 511525612 /nfs/dbraw/zinc/52/56/12/511525612.db2.gz UDCWLKVIRRUGPG-GOSISDBHSA-N 1 0 369.513 2.662 20 10 FFCDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(Br)cc1O ZINC000284251868 511656488 /nfs/dbraw/zinc/65/64/88/511656488.db2.gz INKCUEJYIZHBHU-JVLSTEMRSA-N 1 0 360.292 2.963 20 10 FFCDRO CC[NH+]1CCN(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000299674662 511667528 /nfs/dbraw/zinc/66/75/28/511667528.db2.gz PTSIWRUVBNWHCW-UHFFFAOYSA-N 1 0 372.557 2.663 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(C)c(C)n3)CC2)cc1 ZINC000301882084 511702653 /nfs/dbraw/zinc/70/26/53/511702653.db2.gz MPOPXGVGASEVQW-UHFFFAOYSA-N 1 0 355.486 2.726 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)C(C)(F)F)CC2)cc1 ZINC000292926489 511775286 /nfs/dbraw/zinc/77/52/86/511775286.db2.gz ZWKVNPZDFNWPAK-HNNXBMFYSA-N 1 0 369.456 2.615 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc2ccccc2c1O ZINC000363847651 511806052 /nfs/dbraw/zinc/80/60/52/511806052.db2.gz DRBJSLSSIYWXBA-XLDJFRKUSA-N 1 0 367.449 2.917 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc2c(cc1O)CCCC2 ZINC000363858874 511812985 /nfs/dbraw/zinc/81/29/85/511812985.db2.gz RQKWXMXITUIDOD-CQURBHOASA-N 1 0 371.481 2.642 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)ccc1O ZINC000274877166 511972925 /nfs/dbraw/zinc/97/29/25/511972925.db2.gz GXIKPHLMMZFFLM-ZBFHGGJFSA-N 1 0 358.276 2.983 20 10 FFCDRO Cc1nnsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000364339758 512092281 /nfs/dbraw/zinc/09/22/81/512092281.db2.gz PLFDYJSDUCPAKF-ZDUSSCGKSA-N 1 0 366.874 2.600 20 10 FFCDRO O=C(NCc1cnc2n1CCCC2)NCc1ccc(N2CCCC2)cc1 ZINC000367414578 512487356 /nfs/dbraw/zinc/48/73/56/512487356.db2.gz FLGFSHUTLWOLOT-UHFFFAOYSA-N 1 0 353.470 2.819 20 10 FFCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1O ZINC000371845504 512600061 /nfs/dbraw/zinc/60/00/61/512600061.db2.gz FEKRSRHBCMJSAN-RHSMWYFYSA-N 1 0 367.921 2.512 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000370616382 513016985 /nfs/dbraw/zinc/01/69/85/513016985.db2.gz SSKGVNFZNLZRMM-SJLPKXTDSA-N 1 0 359.514 2.901 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000370636947 513026290 /nfs/dbraw/zinc/02/62/90/513026290.db2.gz SURZOQNSKXMXEB-WBVHZDCISA-N 1 0 352.482 2.781 20 10 FFCDRO COC[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000444244135 514165850 /nfs/dbraw/zinc/16/58/50/514165850.db2.gz JGENWSMJJCYNSE-QGZVFWFLSA-N 1 0 369.509 2.903 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc2c(cc1O)CCCC2 ZINC000527955524 518010373 /nfs/dbraw/zinc/01/03/73/518010373.db2.gz OLWMMFQXEOENQO-OPAMFIHVSA-N 1 0 374.525 2.537 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(C2)CCCO3)C1 ZINC000628789340 521792844 /nfs/dbraw/zinc/79/28/44/521792844.db2.gz AKEMPWLGTCQVMJ-UHFFFAOYSA-N 1 0 367.493 2.799 20 10 FFCDRO CCOc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(O)c1 ZINC000825638147 607703833 /nfs/dbraw/zinc/70/38/33/607703833.db2.gz HIJAHMZDZRCORW-UHFFFAOYSA-N 1 0 351.410 2.750 20 10 FFCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826210395 608521301 /nfs/dbraw/zinc/52/13/01/608521301.db2.gz PQRPZVNTIDKZIF-KRWDZBQOSA-N 1 0 351.410 2.748 20 10 FFCDRO Cn1cc([C@@]2(C[NH2+]Cc3cc(Br)ccc3O)CCCO2)cn1 ZINC000898059154 735308873 /nfs/dbraw/zinc/30/88/73/735308873.db2.gz ZLTBPPWRHAFQIR-INIZCTEOSA-N 1 0 366.259 2.684 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)cc1 ZINC000898295126 735338629 /nfs/dbraw/zinc/33/86/29/735338629.db2.gz VAOKGJKSKMJTQT-UHFFFAOYSA-N 1 0 359.495 2.947 20 10 FFCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@@H+]1C ZINC000745593832 735431337 /nfs/dbraw/zinc/43/13/37/735431337.db2.gz YKHQDXQVFRUCIY-RDJZCZTQSA-N 1 0 362.543 2.522 20 10 FFCDRO COCCC[N@H+](CCOC)Cc1cc(Br)cc(OC)c1O ZINC000092220968 728465386 /nfs/dbraw/zinc/46/53/86/728465386.db2.gz KGUNYUQLFOURLY-UHFFFAOYSA-N 1 0 362.264 2.648 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093010765 728472994 /nfs/dbraw/zinc/47/29/94/728472994.db2.gz OZKCIBNBHUUOAW-INIZCTEOSA-N 1 0 369.303 2.841 20 10 FFCDRO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000123706419 728661720 /nfs/dbraw/zinc/66/17/20/728661720.db2.gz QHJPQHBFIAYMSN-HOTGVXAUSA-N 1 0 362.367 2.550 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)OCC(F)(F)F)cc2F)CC1 ZINC000171687183 729010662 /nfs/dbraw/zinc/01/06/62/729010662.db2.gz ZOAAMSQBPZGUJQ-UHFFFAOYSA-N 1 0 363.355 2.756 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000177769487 729146324 /nfs/dbraw/zinc/14/63/24/729146324.db2.gz DYPIZPFTQKDPID-INIZCTEOSA-N 1 0 361.511 2.523 20 10 FFCDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178834189 729171192 /nfs/dbraw/zinc/17/11/92/729171192.db2.gz YUNWPNDBMBUYKQ-CJNGLKHVSA-N 1 0 355.429 2.746 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185100180 729341028 /nfs/dbraw/zinc/34/10/28/729341028.db2.gz QHXYGHBDUBLFTR-UHFFFAOYSA-N 1 0 359.495 2.582 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3csc([N+](=O)[O-])c3)SC2=S)CC1 ZINC000194754160 729519084 /nfs/dbraw/zinc/51/90/84/729519084.db2.gz GSWVTUHKZFGPCE-IZZDOVSWSA-N 1 0 369.493 2.952 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1F ZINC000194834556 729522222 /nfs/dbraw/zinc/52/22/22/729522222.db2.gz FUUIZHOSCKMNQO-UHFFFAOYSA-N 1 0 350.463 2.560 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1O ZINC000779022732 738430043 /nfs/dbraw/zinc/43/00/43/738430043.db2.gz XZKDHGGWTCFKOX-AEGPPILISA-N 1 0 369.303 2.977 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000779007093 738428999 /nfs/dbraw/zinc/42/89/99/738428999.db2.gz UVAPHDXDRZFHJY-GHMZBOCLSA-N 1 0 362.289 2.548 20 10 FFCDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000237106748 729558552 /nfs/dbraw/zinc/55/85/52/729558552.db2.gz ZPBHKOZWFAOCMU-UHFFFAOYSA-N 1 0 350.260 2.806 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCSCC1 ZINC000779025170 738430569 /nfs/dbraw/zinc/43/05/69/738430569.db2.gz RKQXQJYUTPYENS-HNNXBMFYSA-N 1 0 368.568 2.543 20 10 FFCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000779431926 738463538 /nfs/dbraw/zinc/46/35/38/738463538.db2.gz IAQCFKICLRQOBB-LPHOPBHVSA-N 1 0 350.478 2.891 20 10 FFCDRO CC(C)C(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858094033 730416359 /nfs/dbraw/zinc/41/63/59/730416359.db2.gz CLQMULYTQLFBNL-UHFFFAOYSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000858107655 730416770 /nfs/dbraw/zinc/41/67/70/730416770.db2.gz HXJZJCCMZFHEPY-CYBMUJFWSA-N 1 0 366.255 2.993 20 10 FFCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858142660 730417748 /nfs/dbraw/zinc/41/77/48/730417748.db2.gz ISFBWDWQLZRNMQ-GHMZBOCLSA-N 1 0 362.289 2.600 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1F ZINC000858175629 730418697 /nfs/dbraw/zinc/41/86/97/730418697.db2.gz SCPPGLASXRTURD-SUMWQHHRSA-N 1 0 350.413 2.774 20 10 FFCDRO CN(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(F)F ZINC000858336247 730423114 /nfs/dbraw/zinc/42/31/14/730423114.db2.gz AWASYMGQYCTVBQ-UHFFFAOYSA-N 1 0 356.417 2.872 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000858497829 730427232 /nfs/dbraw/zinc/42/72/32/730427232.db2.gz HVQONSBDKTUZCM-KCPJHIHWSA-N 1 0 360.907 2.865 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)cc1 ZINC000779609817 738472138 /nfs/dbraw/zinc/47/21/38/738472138.db2.gz VMAGTFICZHZSHI-IBGZPJMESA-N 1 0 367.559 2.827 20 10 FFCDRO CC(C)(C)[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000925054166 738474964 /nfs/dbraw/zinc/47/49/64/738474964.db2.gz COZMTDFFSNJDPK-GOSISDBHSA-N 1 0 350.528 2.836 20 10 FFCDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC000862248961 730681640 /nfs/dbraw/zinc/68/16/40/730681640.db2.gz VBRNJYGXONJXGO-HZPDHXFCSA-N 1 0 370.287 2.907 20 10 FFCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000866492037 731066606 /nfs/dbraw/zinc/06/66/06/731066606.db2.gz CCWFZLFUCAYIBV-YSVLISHTSA-N 1 0 350.459 2.722 20 10 FFCDRO Cn1ncc(I)c1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000866632184 731081973 /nfs/dbraw/zinc/08/19/73/731081973.db2.gz VCTIODASCXRGNW-LLVKDONJSA-N 1 0 369.206 2.507 20 10 FFCDRO O=C1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CCN1 ZINC000873035144 731866816 /nfs/dbraw/zinc/86/68/16/731866816.db2.gz GZTAELIDRWUFMC-ZDUSSCGKSA-N 1 0 353.413 2.515 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000877016060 732312386 /nfs/dbraw/zinc/31/23/86/732312386.db2.gz BOJFVGDOMLOSKV-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CC1CCN(c2ccc(C[NH2+]CC3CCS(=O)(=O)CC3)cc2)CC1 ZINC000877024644 732314376 /nfs/dbraw/zinc/31/43/76/732314376.db2.gz KKAPFFOHKYAZMK-UHFFFAOYSA-N 1 0 350.528 2.837 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CC3(O)CCC(F)(F)CC3)cc2)CC1 ZINC000877637630 732403015 /nfs/dbraw/zinc/40/30/15/732403015.db2.gz YJCUYGPUOBMZCF-UHFFFAOYSA-N 1 0 354.441 2.678 20 10 FFCDRO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1c(O)cccc1Br ZINC000877766743 732426008 /nfs/dbraw/zinc/42/60/08/732426008.db2.gz KLUKLSUSPGLPRA-UHFFFAOYSA-N 1 0 369.303 2.699 20 10 FFCDRO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000879651402 732742475 /nfs/dbraw/zinc/74/24/75/732742475.db2.gz UGAUPXGLOITCQM-SMDDNHRTSA-N 1 0 360.435 2.696 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(N2CCOCC2)cc1Cl ZINC000926946168 738671263 /nfs/dbraw/zinc/67/12/63/738671263.db2.gz MYNZREBPWMKXGO-ZDXGLAPJSA-N 1 0 366.889 2.631 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000717152405 734374553 /nfs/dbraw/zinc/37/45/53/734374553.db2.gz RBWATYSBIXWCBI-GHMZBOCLSA-N 1 0 353.182 2.866 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2scnc2Cl)[NH+](C)C)cc1 ZINC000891252050 734405104 /nfs/dbraw/zinc/40/51/04/734405104.db2.gz FFZTZIBATSKZFP-ZDUSSCGKSA-N 1 0 352.891 2.895 20 10 FFCDRO CN(c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893573726 734721246 /nfs/dbraw/zinc/72/12/46/734721246.db2.gz QJTWBPXSSZIMQV-QZTJIDSGSA-N 1 0 352.450 2.697 20 10 FFCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000733301631 734805849 /nfs/dbraw/zinc/80/58/49/734805849.db2.gz VOYIXDBJEIHGJS-HNNXBMFYSA-N 1 0 354.516 2.512 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(Br)cc2O)n(C)c1C ZINC000895646482 735036260 /nfs/dbraw/zinc/03/62/60/735036260.db2.gz MNERWRHLJHIPQC-UHFFFAOYSA-N 1 0 367.243 2.878 20 10 FFCDRO CCS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000896815346 735184483 /nfs/dbraw/zinc/18/44/83/735184483.db2.gz AHKGCBHRRLVXSS-UHFFFAOYSA-N 1 0 363.479 2.835 20 10 FFCDRO C[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CO1 ZINC000784443419 738891831 /nfs/dbraw/zinc/89/18/31/738891831.db2.gz SBGNWDWGGDZFRW-XPKDYRNWSA-N 1 0 352.862 2.551 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748647098 735661378 /nfs/dbraw/zinc/66/13/78/735661378.db2.gz MBWPBGWOZBZXKK-IBGZPJMESA-N 1 0 364.559 2.721 20 10 FFCDRO CN(Cc1c(Br)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000787272538 739121570 /nfs/dbraw/zinc/12/15/70/739121570.db2.gz RWANFGKKHQELMC-UHFFFAOYSA-N 1 0 367.291 2.759 20 10 FFCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCSC1 ZINC000903310078 736073544 /nfs/dbraw/zinc/07/35/44/736073544.db2.gz JVOCGDVFSBHWAQ-KDOFPFPSSA-N 1 0 354.491 2.835 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(N(C)C)cc1 ZINC000903434189 736094233 /nfs/dbraw/zinc/09/42/33/736094233.db2.gz JVTFYFJQEWHHQH-OCCSQVGLSA-N 1 0 361.877 2.831 20 10 FFCDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759600317 736579749 /nfs/dbraw/zinc/57/97/49/736579749.db2.gz DBHJZDIJODJUTA-OAHLLOKOSA-N 1 0 368.572 2.999 20 10 FFCDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000760883345 736677271 /nfs/dbraw/zinc/67/72/71/736677271.db2.gz KEXUMMGZNJXAGZ-CQSZACIVSA-N 1 0 354.878 2.980 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1C ZINC000764976023 737068695 /nfs/dbraw/zinc/06/86/95/737068695.db2.gz FLTYWIFOCPDGHL-UHFFFAOYSA-N 1 0 360.479 2.833 20 10 FFCDRO CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000765175986 737091403 /nfs/dbraw/zinc/09/14/03/737091403.db2.gz HBELRXTVZOYKDB-HOCLYGCPSA-N 1 0 354.878 2.533 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccs1 ZINC000765976815 737179447 /nfs/dbraw/zinc/17/94/47/737179447.db2.gz ARJYSUKADGHVJC-CQSZACIVSA-N 1 0 350.509 2.834 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncc(Cl)cc2Cl)cc1 ZINC000911665439 737221644 /nfs/dbraw/zinc/22/16/44/737221644.db2.gz CFFWGQKPHHTKCQ-CQSZACIVSA-N 1 0 353.253 2.884 20 10 FFCDRO COc1cc(Br)cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1O ZINC000769326989 737517985 /nfs/dbraw/zinc/51/79/85/737517985.db2.gz SGNRMQGJWSEKJO-CQSZACIVSA-N 1 0 355.276 2.832 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNCc3nnc(C(C)(C)C)s3)cc2)CC1 ZINC000771844167 737760750 /nfs/dbraw/zinc/76/07/50/737760750.db2.gz QNJXMGWLSKVEEG-UHFFFAOYSA-N 1 0 359.543 2.877 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000773018176 737863989 /nfs/dbraw/zinc/86/39/89/737863989.db2.gz VFNYBZZGNYWGOC-VDZJLULYSA-N 1 0 366.527 2.530 20 10 FFCDRO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000773107971 737871853 /nfs/dbraw/zinc/87/18/53/737871853.db2.gz SBXZUDNTUKESQC-DGCLKSJQSA-N 1 0 350.356 2.626 20 10 FFCDRO O=C(NCCCSc1nccs1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921446342 737985397 /nfs/dbraw/zinc/98/53/97/737985397.db2.gz GKRKHJUACUWXSV-OLZOCXBDSA-N 1 0 372.585 2.504 20 10 FFCDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921972452 738076398 /nfs/dbraw/zinc/07/63/98/738076398.db2.gz HBKJSAIMKCFXDV-UHFFFAOYSA-N 1 0 366.527 2.551 20 10 FFCDRO CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922403863 738139246 /nfs/dbraw/zinc/13/92/46/738139246.db2.gz VRFVNCIADWPHPG-NVXWUHKLSA-N 1 0 350.413 2.867 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)ccc1OC ZINC000922525834 738160884 /nfs/dbraw/zinc/16/08/84/738160884.db2.gz VPRUXPLFTUUQNU-QZTJIDSGSA-N 1 0 350.528 2.901 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785980413 739016296 /nfs/dbraw/zinc/01/62/96/739016296.db2.gz YMDGDLCRXUIUHD-GOSISDBHSA-N 1 0 353.532 2.566 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000794500653 739898717 /nfs/dbraw/zinc/89/87/17/739898717.db2.gz WYNXWMWFWFJQLB-RHSMWYFYSA-N 1 0 351.491 2.679 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)c1ccc(C)cc1O ZINC000794800596 739932116 /nfs/dbraw/zinc/93/21/16/739932116.db2.gz DIXJZHZZDCNKFB-SFHVURJKSA-N 1 0 362.495 2.991 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000797112444 740213296 /nfs/dbraw/zinc/21/32/96/740213296.db2.gz QBKOIQGKCGHHGL-YGRLFVJLSA-N 1 0 352.784 2.959 20 10 FFCDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000798087018 740303178 /nfs/dbraw/zinc/30/31/78/740303178.db2.gz APFLYJBQAZXSSA-UHFFFAOYSA-N 1 0 362.857 2.811 20 10 FFCDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000799160676 740394517 /nfs/dbraw/zinc/39/45/17/740394517.db2.gz KQUKKDMJVGHCGI-IBGZPJMESA-N 1 0 351.443 2.501 20 10 FFCDRO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccc(Br)cc1O ZINC000806178882 741045644 /nfs/dbraw/zinc/04/56/44/741045644.db2.gz KLSHRNAFQIUCMI-AAEUAGOBSA-N 1 0 351.244 2.976 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000806427448 741059025 /nfs/dbraw/zinc/05/90/25/741059025.db2.gz HWEZNMCTIZGRMU-KBPBESRZSA-N 1 0 368.275 2.581 20 10 FFCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCSc1nccs1 ZINC000806961439 741098460 /nfs/dbraw/zinc/09/84/60/741098460.db2.gz QPTVJVHFCNZGQG-KBPBESRZSA-N 1 0 354.545 2.894 20 10 FFCDRO O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1F ZINC000807106731 741111177 /nfs/dbraw/zinc/11/11/77/741111177.db2.gz AHLDDNWAUODKBS-AWEZNQCLSA-N 1 0 363.820 2.974 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1C ZINC000809606831 741321257 /nfs/dbraw/zinc/32/12/57/741321257.db2.gz FZKNYPLKNZNXNZ-UHFFFAOYSA-N 1 0 359.495 2.655 20 10 FFCDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741146 741338839 /nfs/dbraw/zinc/33/88/39/741338839.db2.gz KRLXWYSDGJGREK-MRXNPFEDSA-N 1 0 355.885 2.785 20 10 FFCDRO C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000809980863 741369339 /nfs/dbraw/zinc/36/93/39/741369339.db2.gz VCQPOZGPOFCBNR-AUUYWEPGSA-N 1 0 351.491 2.679 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)cc1 ZINC000815563655 741945692 /nfs/dbraw/zinc/94/56/92/741945692.db2.gz JXGPDVNCAQOSSM-OAHLLOKOSA-N 1 0 362.495 2.909 20 10 FFCDRO C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000817888983 742220940 /nfs/dbraw/zinc/22/09/40/742220940.db2.gz QNXMHLPDUYUASP-GUYCJALGSA-N 1 0 357.420 2.772 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2F)C[C@H](C)O1 ZINC000818965486 742316796 /nfs/dbraw/zinc/31/67/96/742316796.db2.gz AVGKSNAKQNCFOV-MBNYWOFBSA-N 1 0 364.383 2.842 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000824644976 743121655 /nfs/dbraw/zinc/12/16/55/743121655.db2.gz VRDOHUWTRAWEGV-NEPJUHHUSA-N 1 0 354.447 2.801 20 10 FFCDRO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCO1 ZINC000824825122 743155928 /nfs/dbraw/zinc/15/59/28/743155928.db2.gz MZMVACRHWWKMIK-CQSZACIVSA-N 1 0 372.259 2.699 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1C ZINC000824831255 743158729 /nfs/dbraw/zinc/15/87/29/743158729.db2.gz VPLZEQSQFFWZJJ-UKRRQHHQSA-N 1 0 356.388 2.852 20 10 FFCDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2O)CN1 ZINC000824948460 743183875 /nfs/dbraw/zinc/18/38/75/743183875.db2.gz FMRRYQCDHAJGLK-JSGCOSHPSA-N 1 0 353.260 2.645 20 10 FFCDRO CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825038318 743199673 /nfs/dbraw/zinc/19/96/73/743199673.db2.gz XZDMEBQINCDBHK-HNNXBMFYSA-N 1 0 357.292 2.601 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000825246554 743234755 /nfs/dbraw/zinc/23/47/55/743234755.db2.gz DBJZABPBHMPAES-UHFFFAOYSA-N 1 0 369.303 2.889 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825278473 743240180 /nfs/dbraw/zinc/24/01/80/743240180.db2.gz CQLJACVIWHPRQC-CQSZACIVSA-N 1 0 370.291 2.699 20 10 FFCDRO Oc1cc(Br)ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000825500572 743282435 /nfs/dbraw/zinc/28/24/35/743282435.db2.gz FEBQHHCXPMQHTJ-UHFFFAOYSA-N 1 0 356.260 2.784 20 10 FFCDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000827555217 743600207 /nfs/dbraw/zinc/60/02/07/743600207.db2.gz PZGBXVUORRRFML-LLVKDONJSA-N 1 0 355.276 2.891 20 10 FFCDRO Cc1cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCCC1 ZINC000827878200 744995835 /nfs/dbraw/zinc/99/58/35/744995835.db2.gz PQTADPLFOKLJLH-SFHVURJKSA-N 1 0 350.528 2.852 20 10 FFCDRO [NH3+][C@@H](CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000828359434 745059320 /nfs/dbraw/zinc/05/93/20/745059320.db2.gz TYQWOSMODUOPIV-INIZCTEOSA-N 1 0 353.413 2.500 20 10 FFCDRO O=C(Cc1cscn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544498 745377914 /nfs/dbraw/zinc/37/79/14/745377914.db2.gz QUIUDAJNLPUWEU-AWEZNQCLSA-N 1 0 365.886 2.825 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c(c(Cl)c2)OCO3)cc1 ZINC000832293169 745673660 /nfs/dbraw/zinc/67/36/60/745673660.db2.gz QUYFEVILQPPMNZ-OAHLLOKOSA-N 1 0 361.829 2.565 20 10 FFCDRO CCCS(=O)(=O)NC1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025741 745931970 /nfs/dbraw/zinc/93/19/70/745931970.db2.gz MNADQNLJPUPCKQ-AATRIKPKSA-N 1 0 365.543 2.560 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000835035875 745935646 /nfs/dbraw/zinc/93/56/46/745935646.db2.gz LBSDNGOJEBWVNK-ALCCZGGFSA-N 1 0 359.495 2.927 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000840123812 747011668 /nfs/dbraw/zinc/01/16/68/747011668.db2.gz CDHWOZFESSJFHU-ZFWWWQNUSA-N 1 0 356.388 2.852 20 10 FFCDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000841706746 747436826 /nfs/dbraw/zinc/43/68/26/747436826.db2.gz ILKNSZPSMXVEFG-HNNXBMFYSA-N 1 0 362.543 2.509 20 10 FFCDRO [NH3+][C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1c1ccccc1 ZINC000841857640 747477818 /nfs/dbraw/zinc/47/78/18/747477818.db2.gz QFBFEDYRWQCQKE-LSDHHAIUSA-N 1 0 362.524 2.762 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841938512 747489183 /nfs/dbraw/zinc/48/91/83/747489183.db2.gz NDBYRKYTJDIYFI-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841977933 747495263 /nfs/dbraw/zinc/49/52/63/747495263.db2.gz QASZKJIKRABOSD-SMDDNHRTSA-N 1 0 370.291 2.684 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000841985784 747497353 /nfs/dbraw/zinc/49/73/53/747497353.db2.gz BQEPUZACMLJSCS-SMDDNHRTSA-N 1 0 370.291 2.684 20 10 FFCDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000841994856 747498686 /nfs/dbraw/zinc/49/86/86/747498686.db2.gz FQFLZHWWQMJVTL-HAQNSBGRSA-N 1 0 370.291 2.719 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000842885298 747714363 /nfs/dbraw/zinc/71/43/63/747714363.db2.gz ZNFIQAPTAGOOGH-RHSMWYFYSA-N 1 0 360.479 2.638 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(Br)ccc1O ZINC000842914671 747719810 /nfs/dbraw/zinc/71/98/10/747719810.db2.gz GTOZCNHEZGSSHY-MEDUHNTESA-N 1 0 358.276 2.983 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000848523373 748948962 /nfs/dbraw/zinc/94/89/62/748948962.db2.gz BRCGTWDCDPYALW-QWRGUYRKSA-N 1 0 371.275 2.825 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCOC2=O)c1O ZINC000848524720 748948977 /nfs/dbraw/zinc/94/89/77/748948977.db2.gz LNYVQRLPWSPOSS-JTQLQIEISA-N 1 0 373.247 2.656 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C(F)(F)F)nn3C)C2)cc1 ZINC000850346296 749346250 /nfs/dbraw/zinc/34/62/50/749346250.db2.gz DQUVULMVJDSROA-GFCCVEGCSA-N 1 0 354.376 2.816 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nccn3CC(F)(F)F)C2)cc1 ZINC000850345857 749346354 /nfs/dbraw/zinc/34/63/54/749346354.db2.gz MNDIAAHYTBTGGQ-ZDUSSCGKSA-N 1 0 354.376 2.823 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c(Br)cnn3C)C2)cc1 ZINC000850347549 749346684 /nfs/dbraw/zinc/34/66/84/749346684.db2.gz SXKCUZWULFLRSS-LBPRGKRZSA-N 1 0 365.275 2.560 20 10 FFCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1C ZINC000850355865 749351221 /nfs/dbraw/zinc/35/12/21/749351221.db2.gz MELDGVAFQRUKLS-RYRKJORJSA-N 1 0 350.528 2.836 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850519163 749380809 /nfs/dbraw/zinc/38/08/09/749380809.db2.gz LGTKCWQEJSWCCQ-LBPRGKRZSA-N 1 0 352.422 2.770 20 10 FFCDRO CN(C)c1ccc(C[N@H+](CCn2cnc(Br)n2)C2CC2)cc1 ZINC000851732105 749654166 /nfs/dbraw/zinc/65/41/66/749654166.db2.gz JKHMQHSEJXZBIC-UHFFFAOYSA-N 1 0 364.291 2.771 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000852680867 749924131 /nfs/dbraw/zinc/92/41/31/749924131.db2.gz BBVDNLQQYXPKSA-ZDUSSCGKSA-N 1 0 350.846 2.693 20 10 FFCDRO COc1cccc(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1Cl ZINC000852791101 749956048 /nfs/dbraw/zinc/95/60/48/749956048.db2.gz COQQBXCDDBWJKM-INIZCTEOSA-N 1 0 361.873 2.773 20 10 FFCDRO CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000854231474 750266001 /nfs/dbraw/zinc/26/60/01/750266001.db2.gz DRRQYXAKEXVLPT-LBPRGKRZSA-N 1 0 357.241 2.894 20 10 FFCDRO CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(F)cc1[O-] ZINC000854232617 750266408 /nfs/dbraw/zinc/26/64/08/750266408.db2.gz VQXRLEWAHIXJSW-KRWDZBQOSA-N 1 0 351.466 2.563 20 10 FFCDRO CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000014265092 845027478 /nfs/dbraw/zinc/02/74/78/845027478.db2.gz MTDICZANAXUGTA-HNNXBMFYSA-N 1 0 363.479 2.953 20 10 FFCDRO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000387417222 845833351 /nfs/dbraw/zinc/83/33/51/845833351.db2.gz FBWKRASBDSWZBI-GFCCVEGCSA-N 1 0 352.431 2.856 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 ZINC000389897655 845840264 /nfs/dbraw/zinc/84/02/64/845840264.db2.gz NAMVFAIWCWIKKL-INIZCTEOSA-N 1 0 350.459 2.816 20 10 FFCDRO COc1cc2c(cc1O)CCN(Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000895887621 971039978 /nfs/dbraw/zinc/03/99/78/971039978.db2.gz FFBZMPDRKQSBDN-UHFFFAOYSA-N 1 0 372.440 2.935 20 10 FFCDRO COc1c(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)ccc1[N+](=O)[O-] ZINC000896795376 971712441 /nfs/dbraw/zinc/71/24/41/971712441.db2.gz SXDFRDLEUSYWGQ-HOTGVXAUSA-N 1 0 355.394 2.772 20 10 FFCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C ZINC001167134061 960229183 /nfs/dbraw/zinc/22/91/83/960229183.db2.gz OQJCURKHBNKUHN-RBUKOAKNSA-N 1 0 353.466 2.798 20 10 FFCDRO CCCCN1C[C@]2(CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)OCC1=O ZINC001275952387 1013222313 /nfs/dbraw/zinc/22/23/13/1013222313.db2.gz XHHAQGUFTTUADC-OAQYLSRUSA-N 1 0 359.514 2.664 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CCCC1 ZINC000653128750 962069288 /nfs/dbraw/zinc/06/92/88/962069288.db2.gz WVQZAXHXFPZBMJ-LSDHHAIUSA-N 1 0 355.482 2.724 20 10 FFCDRO COC(=O)/C=C/c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378148 962520095 /nfs/dbraw/zinc/52/00/95/962520095.db2.gz DPFLCNJYLOZVQA-FMIVXFBMSA-N 1 0 352.434 2.607 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nncc3ccccc32)[NH+](C)C)cc1 ZINC000891244000 962543558 /nfs/dbraw/zinc/54/35/58/962543558.db2.gz XHVARQVHWJTWLN-LJQANCHMSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc([S@@](C)=O)c2)[NH+](C)C)cc1 ZINC000891246377 962568384 /nfs/dbraw/zinc/56/83/84/962568384.db2.gz BRZNPYMNMKGTGX-NIYFSFCBSA-N 1 0 373.522 2.523 20 10 FFCDRO CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(O)cc1 ZINC000891247201 962570613 /nfs/dbraw/zinc/57/06/13/962570613.db2.gz GXJIDPJKCKHLGI-WOJBJXKFSA-N 1 0 371.481 2.565 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000891254961 962611910 /nfs/dbraw/zinc/61/19/10/962611910.db2.gz KZENMQLAZFFUTQ-SFHVURJKSA-N 1 0 374.416 2.833 20 10 FFCDRO Cc1noc2ncc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)cc12 ZINC000891255135 962615875 /nfs/dbraw/zinc/61/58/75/962615875.db2.gz NARLSNORZSCCNO-SFHVURJKSA-N 1 0 367.453 2.630 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc([S@@](C)=O)cc2)[NH+](C)C)cc1 ZINC000891255978 962619980 /nfs/dbraw/zinc/61/99/80/962619980.db2.gz UPATWEXQIVLHEK-AFMDSPMNSA-N 1 0 373.522 2.523 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1Cn1cccn1 ZINC000873050258 1013365579 /nfs/dbraw/zinc/36/55/79/1013365579.db2.gz LINYCVJVNYHMQX-MJGOQNOKSA-N 1 0 370.497 2.677 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001276063721 1013387571 /nfs/dbraw/zinc/38/75/71/1013387571.db2.gz KOAHITPYWIYPDP-HXUWFJFHSA-N 1 0 364.461 2.772 20 10 FFCDRO CCOc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001167427080 963029280 /nfs/dbraw/zinc/02/92/80/963029280.db2.gz WQFYUKCNHFBCJD-UHFFFAOYSA-N 1 0 371.441 2.752 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1Cn1cccn1 ZINC000873130631 1013395597 /nfs/dbraw/zinc/39/55/97/1013395597.db2.gz FCMKNYJQZGPRAA-TZIWHRDSSA-N 1 0 355.482 2.827 20 10 FFCDRO COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276084830 1013429307 /nfs/dbraw/zinc/42/93/07/1013429307.db2.gz CIUWLJJXLILDPZ-LJQANCHMSA-N 1 0 350.434 2.525 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000588405140 963600780 /nfs/dbraw/zinc/60/07/80/963600780.db2.gz MAGTVFMGICYJCD-ALCCZGGFSA-N 1 0 374.481 2.510 20 10 FFCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000891440354 964058032 /nfs/dbraw/zinc/05/80/32/964058032.db2.gz GGNMORNZFWHFKI-AEFFLSMTSA-N 1 0 374.529 2.662 20 10 FFCDRO C[C@H](NC(=O)N(C)CCCCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000891440455 964062491 /nfs/dbraw/zinc/06/24/91/964062491.db2.gz HIMQICCZONFMLK-KRWDZBQOSA-N 1 0 362.518 2.745 20 10 FFCDRO COCC1(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000843569555 964181139 /nfs/dbraw/zinc/18/11/39/964181139.db2.gz VAZQPIJRAOYEMK-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NC)CC2)c(OC)c1 ZINC001276118924 1013478573 /nfs/dbraw/zinc/47/85/73/1013478573.db2.gz FVCIJXNTVPXTAV-GOSISDBHSA-N 1 0 359.514 2.890 20 10 FFCDRO COc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(O)c1OC ZINC000891522568 964421035 /nfs/dbraw/zinc/42/10/35/964421035.db2.gz OFFOBCCZLRNSDE-UHFFFAOYSA-N 1 0 368.437 2.832 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(O)c1OC ZINC000891540920 964454891 /nfs/dbraw/zinc/45/48/91/964454891.db2.gz VRTIAQKWIFPWTD-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NCc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000891748353 965012125 /nfs/dbraw/zinc/01/21/25/965012125.db2.gz PFHBNTXDISYTDC-IBGZPJMESA-N 1 0 356.470 2.560 20 10 FFCDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092706209 965408271 /nfs/dbraw/zinc/40/82/71/965408271.db2.gz KOWRKEBPDMWAEE-IBGZPJMESA-N 1 0 359.514 2.507 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC000024088618 965842342 /nfs/dbraw/zinc/84/23/42/965842342.db2.gz KEOWJBJDWQSONC-SFHVURJKSA-N 1 0 357.498 2.680 20 10 FFCDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000892031409 965845384 /nfs/dbraw/zinc/84/53/84/965845384.db2.gz KMJBWHBZLTVKSU-MOPGFXCFSA-N 1 0 374.554 2.618 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000892031412 965845416 /nfs/dbraw/zinc/84/54/16/965845416.db2.gz KMJBWHBZLTVKSU-RTBURBONSA-N 1 0 374.554 2.618 20 10 FFCDRO COc1cccc(CN(CC[NH+](C)C)C(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588585051 967773235 /nfs/dbraw/zinc/77/32/35/967773235.db2.gz YQZHVGJQUXLRON-NTMALXAHSA-N 1 0 370.449 2.710 20 10 FFCDRO O=c1cc[nH]c2cc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)ccc12 ZINC000895204472 968426933 /nfs/dbraw/zinc/42/69/33/968426933.db2.gz HKJZRKURWXLIOR-UHFFFAOYSA-N 1 0 367.424 2.794 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)C12CCOCC2 ZINC000892792236 970292193 /nfs/dbraw/zinc/29/21/93/970292193.db2.gz RWRKTVALOOJOLT-DLBZAZTESA-N 1 0 362.470 2.944 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1O ZINC000895365907 970494820 /nfs/dbraw/zinc/49/48/20/970494820.db2.gz QLZCQQHGYKSQPB-UHFFFAOYSA-N 1 0 373.453 2.760 20 10 FFCDRO COC(=O)c1c(C[NH2+]CCC[C@H]2CCOC2=O)c2cc(F)ccc2n1C ZINC000895474665 970655357 /nfs/dbraw/zinc/65/53/57/970655357.db2.gz QCFCMRKLAZWULL-LBPRGKRZSA-N 1 0 362.401 2.537 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000895583130 970760749 /nfs/dbraw/zinc/76/07/49/970760749.db2.gz XTNIXMCWEABLCW-UHFFFAOYSA-N 1 0 363.502 2.779 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2c1c(F)ccc2O ZINC000840780830 973126020 /nfs/dbraw/zinc/12/60/20/973126020.db2.gz OJNSVHXCERQWRI-GOEBONIOSA-N 1 0 364.461 2.551 20 10 FFCDRO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OC)c1O)CC2 ZINC000893434524 973881217 /nfs/dbraw/zinc/88/12/17/973881217.db2.gz JPFMQFJNAFWBJG-UHFFFAOYSA-N 1 0 357.406 2.754 20 10 FFCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662816416 974201953 /nfs/dbraw/zinc/20/19/53/974201953.db2.gz BBWQIKHMYIAFRX-GDBMZVCRSA-N 1 0 368.481 2.970 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CCC3(CC[NH2+]3)CC2)CCCC1 ZINC000653165466 1014244088 /nfs/dbraw/zinc/24/40/88/1014244088.db2.gz NROWSAAIZFPECM-UHFFFAOYSA-N 1 0 367.493 2.883 20 10 FFCDRO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000760539635 975463847 /nfs/dbraw/zinc/46/38/47/975463847.db2.gz DFFXEUQVPHRJAV-HNNXBMFYSA-N 1 0 372.469 2.823 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2cccc(OC)c2O)N2CCOCC2)cc1 ZINC000237498205 976005329 /nfs/dbraw/zinc/00/53/29/976005329.db2.gz ZGEYHLUFOMDAHM-LJQANCHMSA-N 1 0 372.465 2.573 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)N(C)C)cc1 ZINC000898452205 976471399 /nfs/dbraw/zinc/47/13/99/976471399.db2.gz VLVNWXOPHKTTPD-HXUWFJFHSA-N 1 0 368.529 2.535 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000893968596 977617487 /nfs/dbraw/zinc/61/74/87/977617487.db2.gz BTULXODCMVGNID-UHFFFAOYSA-N 1 0 352.438 2.989 20 10 FFCDRO Cc1cccc(O)c1C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000876921481 1014422080 /nfs/dbraw/zinc/42/20/80/1014422080.db2.gz DWSGNEMQNZBLFX-UHFFFAOYSA-N 1 0 353.466 2.893 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000876987517 1014442070 /nfs/dbraw/zinc/44/20/70/1014442070.db2.gz ZEHJOFPTXZDCMD-OAHLLOKOSA-N 1 0 357.454 2.879 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000876997686 1014444979 /nfs/dbraw/zinc/44/49/79/1014444979.db2.gz DRMGQMVSZVTXLU-IRXDYDNUSA-N 1 0 359.514 2.527 20 10 FFCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000178850754 978095440 /nfs/dbraw/zinc/09/54/40/978095440.db2.gz USFDJHMKBUSIPZ-UHFFFAOYSA-N 1 0 368.433 2.696 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1O ZINC000894176080 978112999 /nfs/dbraw/zinc/11/29/99/978112999.db2.gz HJCMKLXSWHPUDA-UHFFFAOYSA-N 1 0 369.509 2.746 20 10 FFCDRO COc1cc(C)cc(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)c1O ZINC000894179625 978118994 /nfs/dbraw/zinc/11/89/94/978118994.db2.gz TXGAEBURBIECQM-OAHLLOKOSA-N 1 0 357.454 2.619 20 10 FFCDRO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)c1ccc(N)cc1 ZINC000877076896 1014469707 /nfs/dbraw/zinc/46/97/07/1014469707.db2.gz SQYFWFBXBVKMQM-IFMALSPDSA-N 1 0 365.477 2.770 20 10 FFCDRO [O-]c1c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc(F)c1F ZINC000877076144 1014469835 /nfs/dbraw/zinc/46/98/35/1014469835.db2.gz KBFHNIKSGHSFOL-UHFFFAOYSA-N 1 0 362.420 2.917 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]CCc3cnc(C4CC4)nc3)cc2)CC1 ZINC000877123797 1014480817 /nfs/dbraw/zinc/48/08/17/1014480817.db2.gz ONDMYVSIRURLSW-UHFFFAOYSA-N 1 0 352.482 2.647 20 10 FFCDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)cc2[nH]1 ZINC000877303352 1014542992 /nfs/dbraw/zinc/54/29/92/1014542992.db2.gz DPJBOWMCGXOWQI-UHFFFAOYSA-N 1 0 352.438 2.519 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000653054391 980374898 /nfs/dbraw/zinc/37/48/98/980374898.db2.gz QIRGMZDKTATFGI-CVEARBPZSA-N 1 0 367.493 2.882 20 10 FFCDRO Cc1cccc([C@H](O)C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000905285478 980413309 /nfs/dbraw/zinc/41/33/09/980413309.db2.gz SCSZCWKREFBREQ-LJQANCHMSA-N 1 0 362.420 2.933 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c(O)cc1C ZINC000905744321 980503776 /nfs/dbraw/zinc/50/37/76/980503776.db2.gz IUOGBADXAABTPW-UHFFFAOYSA-N 1 0 368.437 2.613 20 10 FFCDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877656440 1014662268 /nfs/dbraw/zinc/66/22/68/1014662268.db2.gz IPKNAUJOOHYQAM-NRFANRHFSA-N 1 0 365.477 2.564 20 10 FFCDRO Cc1nc2nc(C)cc(NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)n2n1 ZINC000897523200 981428315 /nfs/dbraw/zinc/42/83/15/981428315.db2.gz RJLMOLZSKLGQPX-QGZVFWFLSA-N 1 0 353.474 2.522 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C)o3)CC2)cc1 ZINC000028064644 981830683 /nfs/dbraw/zinc/83/06/83/981830683.db2.gz OFLSXOAZBMMWLB-UHFFFAOYSA-N 1 0 357.454 2.539 20 10 FFCDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2ccc(N)cc2)c1 ZINC000841954784 982462324 /nfs/dbraw/zinc/46/23/24/982462324.db2.gz PJFARHHXIACKHB-UHFFFAOYSA-N 1 0 354.498 2.893 20 10 FFCDRO Cn1c(-c2ccccc2)cnc1SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000026529392 982480363 /nfs/dbraw/zinc/48/03/63/982480363.db2.gz ODZYSKZUHHIXCR-UHFFFAOYSA-N 1 0 370.522 2.922 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000841970857 982492081 /nfs/dbraw/zinc/49/20/81/982492081.db2.gz BQPFHJLCHZCHQL-UHFFFAOYSA-N 1 0 368.481 2.977 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878239983 1014939825 /nfs/dbraw/zinc/93/98/25/1014939825.db2.gz COGYTIPHIMXKJA-RTBURBONSA-N 1 0 361.482 2.959 20 10 FFCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N1CCOCC1 ZINC000165014199 984427385 /nfs/dbraw/zinc/42/73/85/984427385.db2.gz PEIXPCILHHQGMA-PXNSSMCTSA-N 1 0 359.514 2.965 20 10 FFCDRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000765320868 985038000 /nfs/dbraw/zinc/03/80/00/985038000.db2.gz AFHTZXATUUMURL-QAPCUYQASA-N 1 0 374.481 2.860 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000171264899 985254309 /nfs/dbraw/zinc/25/43/09/985254309.db2.gz UHRLENHTNVRHCG-BZSNNMDCSA-N 1 0 359.514 2.995 20 10 FFCDRO CCCN(C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000171416450 985282656 /nfs/dbraw/zinc/28/26/56/985282656.db2.gz HFJKDDSANMYOHU-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)cc1 ZINC000921606516 985420721 /nfs/dbraw/zinc/42/07/21/985420721.db2.gz JMPNQUNWIYWGOF-HSALFYBXSA-N 1 0 373.541 2.612 20 10 FFCDRO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC000998940526 986289398 /nfs/dbraw/zinc/28/93/98/986289398.db2.gz YVZNKILDOCTHQF-OPQOLIRYSA-N 1 0 368.481 2.609 20 10 FFCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(I)cc3O)C[C@@H]12 ZINC001232980674 986351952 /nfs/dbraw/zinc/35/19/52/986351952.db2.gz NDSYXWNECVNFGZ-ZWNOBZJWSA-N 1 0 371.218 2.798 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nnc(N)o4)C3)cc2)CC1 ZINC000878946500 1015297091 /nfs/dbraw/zinc/29/70/91/1015297091.db2.gz LPRPBAWRMVISKW-MRXNPFEDSA-N 1 0 371.485 2.647 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000914789706 987913171 /nfs/dbraw/zinc/91/31/71/987913171.db2.gz CWZPCGYUJFIUOB-MJGOQNOKSA-N 1 0 359.514 2.854 20 10 FFCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1C ZINC000922406654 988584486 /nfs/dbraw/zinc/58/44/86/988584486.db2.gz QSLAVBGXWQURNQ-DYESRHJHSA-N 1 0 370.497 2.969 20 10 FFCDRO CCOc1ccc(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)c1 ZINC000922788501 988901236 /nfs/dbraw/zinc/90/12/36/988901236.db2.gz NKWJBDSCJJOAMI-OSYLJGHBSA-N 1 0 362.470 2.993 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2F)C[C@H](C)O1 ZINC000763023424 988977507 /nfs/dbraw/zinc/97/75/07/988977507.db2.gz BCBKIXWEDXXNBI-GASCZTMLSA-N 1 0 363.477 2.540 20 10 FFCDRO C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC[NH2+]C1 ZINC000237589863 991281765 /nfs/dbraw/zinc/28/17/65/991281765.db2.gz AXVSKMXVEFFFNK-KUHUBIRLSA-N 1 0 367.440 2.763 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000179530341 991288811 /nfs/dbraw/zinc/28/88/11/991288811.db2.gz KYGKMZWQXXZMMQ-UHFFFAOYSA-N 1 0 367.493 2.854 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCN(Cc3cc(OC)ccc3OC)CC2)c1 ZINC000179573292 991291935 /nfs/dbraw/zinc/29/19/35/991291935.db2.gz HTLPEIHXUSOWTR-UHFFFAOYSA-N 1 0 372.465 2.736 20 10 FFCDRO Fc1cccc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000180006928 991396229 /nfs/dbraw/zinc/39/62/29/991396229.db2.gz PFTVUTCKKRBFBB-UHFFFAOYSA-N 1 0 369.484 2.980 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068549556 991467069 /nfs/dbraw/zinc/46/70/69/991467069.db2.gz IYDSKTFSHTUOGJ-SJORKVTESA-N 1 0 362.518 2.614 20 10 FFCDRO CC(C)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068548950 991467460 /nfs/dbraw/zinc/46/74/60/991467460.db2.gz XHPPFUKVRQMEBU-GOSISDBHSA-N 1 0 374.529 2.567 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1O ZINC000180787732 991551872 /nfs/dbraw/zinc/55/18/72/991551872.db2.gz BBKVNBADROOZGE-UHFFFAOYSA-N 1 0 357.429 2.596 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(OC)cc3O)c2)CC1 ZINC000184273468 992712261 /nfs/dbraw/zinc/71/22/61/992712261.db2.gz FTKUIOVUMSGJFY-UHFFFAOYSA-N 1 0 355.438 2.795 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)N2CCOCC2)cc1 ZINC000072670177 993261167 /nfs/dbraw/zinc/26/11/67/993261167.db2.gz BADCQFXHFHNZSV-JOCHJYFZSA-N 1 0 369.509 2.924 20 10 FFCDRO C[C@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cc(F)ccc1O ZINC000185347511 993291868 /nfs/dbraw/zinc/29/18/68/993291868.db2.gz ZQVQNSFFSCNRJI-AWEZNQCLSA-N 1 0 367.465 2.735 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC3CCOCC3)C[C@H]2C)cc1C ZINC001082455223 994668686 /nfs/dbraw/zinc/66/86/86/994668686.db2.gz PNIAGDCRAWABCR-VQIMIIECSA-N 1 0 360.498 2.757 20 10 FFCDRO OC[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1c1ccccc1 ZINC000810165247 994713593 /nfs/dbraw/zinc/71/35/93/994713593.db2.gz MYUDDDSIWBXFGU-UGKGYDQZSA-N 1 0 370.468 2.918 20 10 FFCDRO COc1cc(C[C@@H](CO)C[NH2+]Cc2cc(C)c(C)cc2O)cc(OC)c1 ZINC000747622689 994880826 /nfs/dbraw/zinc/88/08/26/994880826.db2.gz UMBNRWWFQHIZHS-QGZVFWFLSA-N 1 0 359.466 2.967 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3ccc(C)nn3)C2)cc1C ZINC001086694114 995125723 /nfs/dbraw/zinc/12/57/23/995125723.db2.gz CGSNJXPVDHGYCG-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000811518321 995162445 /nfs/dbraw/zinc/16/24/45/995162445.db2.gz KDDYKWIJDVKCDF-UHFFFAOYSA-N 1 0 373.522 2.956 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccnc3C)C[C@H]2C)cc1C ZINC001082712468 995329641 /nfs/dbraw/zinc/32/96/41/995329641.db2.gz GQDREPUKPWNPFC-DNVCBOLYSA-N 1 0 353.466 2.957 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2F)CC1 ZINC000727467971 995832738 /nfs/dbraw/zinc/83/27/38/995832738.db2.gz CPAPQXWVJFNPRY-UHFFFAOYSA-N 1 0 354.429 2.953 20 10 FFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000727643573 995911129 /nfs/dbraw/zinc/91/11/29/995911129.db2.gz CCNQVBNDBYHNIT-FQEVSTJZSA-N 1 0 356.466 2.909 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000844176101 997695357 /nfs/dbraw/zinc/69/53/57/997695357.db2.gz MMSMYZGNLMOFKY-ZSXHRAQDSA-N 1 0 357.498 2.621 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cc1 ZINC000844181052 997696122 /nfs/dbraw/zinc/69/61/22/997696122.db2.gz MJTGTKAQLMVRCL-YSGRDPCXSA-N 1 0 357.498 2.701 20 10 FFCDRO C[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC[NH2+]C1 ZINC000844178454 997696912 /nfs/dbraw/zinc/69/69/12/997696912.db2.gz VTKUJNDXUWLUAO-LJQANCHMSA-N 1 0 367.440 2.763 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1C ZINC000731206922 997746035 /nfs/dbraw/zinc/74/60/35/997746035.db2.gz ICAAZPCGPGWCPG-JXFKEZNVSA-N 1 0 373.541 2.822 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCCCO3)cc2F)CC1 ZINC000844958338 998254300 /nfs/dbraw/zinc/25/43/00/998254300.db2.gz VWTAJQLRUZTDDU-UHFFFAOYSA-N 1 0 364.465 2.595 20 10 FFCDRO O=c1[nH]ccc2c1CCN(Cc1cc(Br)c(F)cc1[O-])C2 ZINC001144307939 998305109 /nfs/dbraw/zinc/30/51/09/998305109.db2.gz MFYYOHMGWLWUCM-UHFFFAOYSA-N 1 0 353.191 2.953 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000845153429 998385035 /nfs/dbraw/zinc/38/50/35/998385035.db2.gz UAUNEWHMFXZWAG-UHFFFAOYSA-N 1 0 374.529 2.647 20 10 FFCDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000732230870 998563303 /nfs/dbraw/zinc/56/33/03/998563303.db2.gz DCIDKOASQBADJH-UHFFFAOYSA-N 1 0 371.456 2.953 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)CC1 ZINC001144504479 998612256 /nfs/dbraw/zinc/61/22/56/998612256.db2.gz RKJPCKSQKXHGME-UHFFFAOYSA-N 1 0 364.442 2.636 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144514736 998626007 /nfs/dbraw/zinc/62/60/07/998626007.db2.gz QGYFKIGGBUDUTR-CLLJXQQHSA-N 1 0 364.442 2.824 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)CC2)cc1 ZINC000732457752 998672163 /nfs/dbraw/zinc/67/21/63/998672163.db2.gz CXCJTCBVKXQVJZ-SFHVURJKSA-N 1 0 374.529 2.836 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCOC2)cc1C ZINC001085150222 999029832 /nfs/dbraw/zinc/02/98/32/999029832.db2.gz XBPMDUFPOTWHAA-GUDVDZBRSA-N 1 0 360.498 2.947 20 10 FFCDRO COc1cccc([C@@H](CNC(=O)NCc2cc(OC)ccc2O)[NH+](C)C)c1 ZINC000734065529 999188516 /nfs/dbraw/zinc/18/85/16/999188516.db2.gz ZMGFZRSUEBORFW-GOSISDBHSA-N 1 0 373.453 2.512 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2OCC[C@H]2C)cc1C ZINC001085337423 999386595 /nfs/dbraw/zinc/38/65/95/999386595.db2.gz ZZJHKRHPAJGUQJ-ZESCBINXSA-N 1 0 360.498 2.946 20 10 FFCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(-c4ccccc4)ccc3O)C2=O)cn1 ZINC000735509023 999435057 /nfs/dbraw/zinc/43/50/57/999435057.db2.gz SODZRPMLPNYFAO-IBGZPJMESA-N 1 0 362.433 2.688 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccn(C)n2)cc1C ZINC001085422740 999497650 /nfs/dbraw/zinc/49/76/50/999497650.db2.gz DXQVCBMWHWGTER-IAGOWNOFSA-N 1 0 356.470 2.568 20 10 FFCDRO COc1ccc2c(c1)CCCCN2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000766270167 999720132 /nfs/dbraw/zinc/72/01/32/999720132.db2.gz RAJXNCORKDOFFU-UHFFFAOYSA-N 1 0 359.514 2.827 20 10 FFCDRO CCC[N@H+](CC)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000746107479 999949359 /nfs/dbraw/zinc/94/93/59/999949359.db2.gz IISVYTIHCHYAQT-IYBDPMFKSA-N 1 0 365.493 2.787 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2cnccn2)C1 ZINC000766713962 1000050164 /nfs/dbraw/zinc/05/01/64/1000050164.db2.gz VSTPBBRQEDTSHZ-UHFFFAOYSA-N 1 0 364.449 2.941 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1O ZINC000846164926 1000214170 /nfs/dbraw/zinc/21/41/70/1000214170.db2.gz LXEPWXJZIAIOHC-CYBMUJFWSA-N 1 0 361.417 2.622 20 10 FFCDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768440788 1000249126 /nfs/dbraw/zinc/24/91/26/1000249126.db2.gz DSZBVFVXEJAIAL-ZBFHGGJFSA-N 1 0 360.458 2.671 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444528 1000250413 /nfs/dbraw/zinc/25/04/13/1000250413.db2.gz CFRWSWXWEHSFAG-FOIQADDNSA-N 1 0 354.450 2.524 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445904 1000250955 /nfs/dbraw/zinc/25/09/55/1000250955.db2.gz KDNVPKYNJZIWSZ-KKSFZXQISA-N 1 0 368.477 2.914 20 10 FFCDRO Oc1cc2c(cc1CN1CCC[N@H+](CC3CCCCC3)CC1)[C@H](O)CO2 ZINC000768446462 1000251012 /nfs/dbraw/zinc/25/10/12/1000251012.db2.gz XZGDNCZROKYCEW-HXUWFJFHSA-N 1 0 360.498 2.906 20 10 FFCDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)nc1 ZINC000768536531 1000289255 /nfs/dbraw/zinc/28/92/55/1000289255.db2.gz GNZLTMXBLZFBPL-AWEZNQCLSA-N 1 0 369.421 2.675 20 10 FFCDRO Cc1ccncc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768914548 1000384793 /nfs/dbraw/zinc/38/47/93/1000384793.db2.gz YPCRRMFDQHRQJP-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO CCOc1ccc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(O)c1 ZINC000769191529 1000448004 /nfs/dbraw/zinc/44/80/04/1000448004.db2.gz DCOWLOZNARJSPS-QZTJIDSGSA-N 1 0 361.530 2.781 20 10 FFCDRO CCOc1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c(O)c1 ZINC000769153205 1000450164 /nfs/dbraw/zinc/45/01/64/1000450164.db2.gz MWYVQIGLFZECTJ-UHFFFAOYSA-N 1 0 366.412 2.700 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000769202107 1000462542 /nfs/dbraw/zinc/46/25/42/1000462542.db2.gz OCSHQDOSHQXKAQ-OAHLLOKOSA-N 1 0 359.401 2.936 20 10 FFCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](CC)CN1C(C)=O ZINC000769499099 1000535400 /nfs/dbraw/zinc/53/54/00/1000535400.db2.gz WQQZPAZNKNRLNI-VQTJNVASSA-N 1 0 359.514 2.745 20 10 FFCDRO CCOC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769663221 1000571374 /nfs/dbraw/zinc/57/13/74/1000571374.db2.gz MSZXHGOWNNDJKN-UHFFFAOYSA-N 1 0 358.438 2.514 20 10 FFCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000770673650 1000874550 /nfs/dbraw/zinc/87/45/50/1000874550.db2.gz GASFGMJVAOYYGX-CQSZACIVSA-N 1 0 374.462 2.805 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001147740725 1000968128 /nfs/dbraw/zinc/96/81/28/1000968128.db2.gz GDPYFZFEAZQTNK-OAHLLOKOSA-N 1 0 355.482 2.739 20 10 FFCDRO O=C(c1cccc(O)c1O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001148211907 1001067879 /nfs/dbraw/zinc/06/78/79/1001067879.db2.gz BTZYGCYVIFGPFO-AEFFLSMTSA-N 1 0 352.434 2.834 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3[nH]cnc3C)C2)cc1C ZINC001086890904 1001319103 /nfs/dbraw/zinc/31/91/03/1001319103.db2.gz VXONFGLMRLMEON-DLBZAZTESA-N 1 0 356.470 2.723 20 10 FFCDRO COc1ccc(N2CCN(C(=O)CN3Cc4ccccc4[C@H]3C)CC2)cc1 ZINC000746671930 1001682406 /nfs/dbraw/zinc/68/24/06/1001682406.db2.gz QBHOEDHIIIHXQE-QGZVFWFLSA-N 1 0 365.477 2.921 20 10 FFCDRO COC(=O)[C@@](C)(C[NH2+]Cc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000787424291 1001689081 /nfs/dbraw/zinc/68/90/81/1001689081.db2.gz QLXOPDVTAKAYCD-FQEVSTJZSA-N 1 0 359.422 2.630 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)cc1 ZINC000788506499 1001813364 /nfs/dbraw/zinc/81/33/64/1001813364.db2.gz MEXGTLUGUYHRCM-GHTZIAJQSA-N 1 0 361.530 2.755 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000746769473 1001906950 /nfs/dbraw/zinc/90/69/50/1001906950.db2.gz ACIORJGUYRGAOW-GOSISDBHSA-N 1 0 363.502 2.815 20 10 FFCDRO COc1c(O)c(C[N@H+](C)C[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000774821324 1002808066 /nfs/dbraw/zinc/80/80/66/1002808066.db2.gz BULLOGIVOXWHMT-ZDUSSCGKSA-N 1 0 360.366 2.581 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3ccc(C)c(OC)c3)CC2)cc1 ZINC000774972964 1003191157 /nfs/dbraw/zinc/19/11/57/1003191157.db2.gz GMEWZPBGIAERLY-UHFFFAOYSA-N 1 0 369.509 2.924 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCN2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774979689 1003197611 /nfs/dbraw/zinc/19/76/11/1003197611.db2.gz BBUKVNXWKKQUCA-UHFFFAOYSA-N 1 0 357.410 2.851 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000804812305 1003858427 /nfs/dbraw/zinc/85/84/27/1003858427.db2.gz GUWXKGXIGJXWAP-GMRZMDSISA-N 1 0 359.426 2.844 20 10 FFCDRO CCOc1nccnc1NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000775483051 1003955946 /nfs/dbraw/zinc/95/59/46/1003955946.db2.gz CUBAYLLMYPPQDX-UHFFFAOYSA-N 1 0 371.485 2.508 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1O ZINC000775503738 1004073524 /nfs/dbraw/zinc/07/35/24/1004073524.db2.gz NJJVWZXXRPOPRQ-IBGZPJMESA-N 1 0 374.506 2.868 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC34CCCC4)CC2)cc1 ZINC000747297649 1004216787 /nfs/dbraw/zinc/21/67/87/1004216787.db2.gz KPUZMCZUYNWBQW-HXUWFJFHSA-N 1 0 371.525 2.904 20 10 FFCDRO C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000806614220 1004371702 /nfs/dbraw/zinc/37/17/02/1004371702.db2.gz NAHMTTIZUFFGCJ-PKOBYXMFSA-N 1 0 359.514 2.965 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000775830930 1004527754 /nfs/dbraw/zinc/52/77/54/1004527754.db2.gz NLQKMHDNDRYGDX-KDOFPFPSSA-N 1 0 359.426 2.751 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ccc(N(C)C)cc1 ZINC000775830456 1004539754 /nfs/dbraw/zinc/53/97/54/1004539754.db2.gz JHAQBUVWLOLALU-GFCCVEGCSA-N 1 0 355.398 2.685 20 10 FFCDRO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775836019 1004564741 /nfs/dbraw/zinc/56/47/41/1004564741.db2.gz XIOFTGWENJYOSN-FOIQADDNSA-N 1 0 371.481 2.802 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnsn3)C2)cc1C ZINC001086651902 1004584139 /nfs/dbraw/zinc/58/41/39/1004584139.db2.gz USMLGTYMWGIALW-LSDHHAIUSA-N 1 0 360.483 2.543 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H](C)C3)cc2F)CC1 ZINC000106584735 1005343198 /nfs/dbraw/zinc/34/31/98/1005343198.db2.gz YXIRKHZNERMDEA-MRXNPFEDSA-N 1 0 362.493 2.909 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2F)CC1 ZINC000106702091 1005356493 /nfs/dbraw/zinc/35/64/93/1005356493.db2.gz AUDDPTMIYQYLNJ-UHFFFAOYSA-N 1 0 373.447 2.966 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C(C)C)n[nH]3)cc2F)CC1 ZINC000106829830 1005363302 /nfs/dbraw/zinc/36/33/02/1005363302.db2.gz NPNVTMWACMSOOU-UHFFFAOYSA-N 1 0 373.476 2.744 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000850034293 1005780317 /nfs/dbraw/zinc/78/03/17/1005780317.db2.gz KLJMJAAWMYUVHB-BDLOOMQFSA-N 1 0 364.461 2.727 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000850347349 1005809054 /nfs/dbraw/zinc/80/90/54/1005809054.db2.gz QQZDUPPCOVRVRV-HNNXBMFYSA-N 1 0 353.422 2.509 20 10 FFCDRO COCCOc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405994 1005813731 /nfs/dbraw/zinc/81/37/31/1005813731.db2.gz NMELOJRBOWZWGW-UHFFFAOYSA-N 1 0 370.493 2.963 20 10 FFCDRO COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850473831 1005817624 /nfs/dbraw/zinc/81/76/24/1005817624.db2.gz GCYVRGAUVYAACG-RTBURBONSA-N 1 0 362.514 2.943 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)cc1 ZINC000851640324 1005902128 /nfs/dbraw/zinc/90/21/28/1005902128.db2.gz SYAROBGAWHKPGU-QQKHQHAUSA-N 1 0 357.498 2.544 20 10 FFCDRO CN1CCCc2cc(CNC(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)ccc21 ZINC000851656775 1005903880 /nfs/dbraw/zinc/90/38/80/1005903880.db2.gz OYYSEUORXWNAPA-FQEVSTJZSA-N 1 0 370.541 2.990 20 10 FFCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852346825 1005987744 /nfs/dbraw/zinc/98/77/44/1005987744.db2.gz PJXKKFITBHIKAP-SJORKVTESA-N 1 0 362.518 2.694 20 10 FFCDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852355924 1005990667 /nfs/dbraw/zinc/99/06/67/1005990667.db2.gz NYRJLYFMDJWXEG-OAHLLOKOSA-N 1 0 365.493 2.693 20 10 FFCDRO CC[C@@H](C)CONC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000813701176 1006023206 /nfs/dbraw/zinc/02/32/06/1006023206.db2.gz JPFOARWQTOQCCV-QGZVFWFLSA-N 1 0 374.529 2.996 20 10 FFCDRO C[C@@H]1[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000813823326 1006044717 /nfs/dbraw/zinc/04/47/17/1006044717.db2.gz HHHOPQJTHXLFGS-QVFMIUSGSA-N 1 0 352.434 2.890 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2F)C[C@H](C)O1 ZINC000813855980 1006057750 /nfs/dbraw/zinc/05/77/50/1006057750.db2.gz VKYBJQKETOTXRD-IYOUNJFTSA-N 1 0 363.477 2.586 20 10 FFCDRO CCC[C@@H]([NH3+])c1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881357891 1006060153 /nfs/dbraw/zinc/06/01/53/1006060153.db2.gz ZALQHYRWNHETGX-MRXNPFEDSA-N 1 0 370.432 2.903 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000852862148 1006212372 /nfs/dbraw/zinc/21/23/72/1006212372.db2.gz UURGOZVJVVURBL-UHFFFAOYSA-N 1 0 365.477 2.693 20 10 FFCDRO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000852869172 1006213905 /nfs/dbraw/zinc/21/39/05/1006213905.db2.gz YCSBZCZGOIJIMI-OAHLLOKOSA-N 1 0 353.466 2.597 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852882831 1006221332 /nfs/dbraw/zinc/22/13/32/1006221332.db2.gz QWDGMTZKDQPBHE-UHFFFAOYSA-N 1 0 356.470 2.870 20 10 FFCDRO Cc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1C(C)(C)C ZINC000881849239 1006241475 /nfs/dbraw/zinc/24/14/75/1006241475.db2.gz CUGFCVPUTSRINB-UHFFFAOYSA-N 1 0 369.513 2.628 20 10 FFCDRO O=C([C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1)N1CCOCC1 ZINC000816483234 1007063613 /nfs/dbraw/zinc/06/36/13/1007063613.db2.gz KPHXUFLRBTYMLO-SFHVURJKSA-N 1 0 354.450 2.616 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000816495208 1007072775 /nfs/dbraw/zinc/07/27/75/1007072775.db2.gz NYNBHHCAMUQWOH-UHFFFAOYSA-N 1 0 367.449 2.738 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCN1c1nccn2cnnc12 ZINC000816520750 1007087341 /nfs/dbraw/zinc/08/73/41/1007087341.db2.gz XGIIYSAMZQIIDA-OAHLLOKOSA-N 1 0 374.448 2.694 20 10 FFCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001206229387 1032193462 /nfs/dbraw/zinc/19/34/62/1032193462.db2.gz JTXHWAVGLYRUQQ-QGZVFWFLSA-N 1 0 355.404 2.557 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000884010728 1007138102 /nfs/dbraw/zinc/13/81/02/1007138102.db2.gz KFMDDJCEGXBKHG-CUWPLCDZSA-N 1 0 355.457 2.939 20 10 FFCDRO COCC[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000884179389 1007291944 /nfs/dbraw/zinc/29/19/44/1007291944.db2.gz MZTBWEKRVHPRIW-FQEVSTJZSA-N 1 0 371.481 2.658 20 10 FFCDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000884194722 1007306703 /nfs/dbraw/zinc/30/67/03/1007306703.db2.gz QGALPHHCDIKARN-IBGZPJMESA-N 1 0 361.530 2.521 20 10 FFCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855528100 1007398217 /nfs/dbraw/zinc/39/82/17/1007398217.db2.gz XSZUBVYZNRILPR-RQOWECAXSA-N 1 0 367.449 2.534 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2OC)c1 ZINC000775369369 1007537093 /nfs/dbraw/zinc/53/70/93/1007537093.db2.gz AECSZQWCSAKJDG-GDBMZVCRSA-N 1 0 361.438 2.638 20 10 FFCDRO CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000775372754 1007579028 /nfs/dbraw/zinc/57/90/28/1007579028.db2.gz IIYMTJDTHFEVNJ-LSDHHAIUSA-N 1 0 361.438 2.890 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000775375967 1007585568 /nfs/dbraw/zinc/58/55/68/1007585568.db2.gz QGOJVBSWQVAJRR-LBPRGKRZSA-N 1 0 360.410 2.707 20 10 FFCDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000817589890 1007660000 /nfs/dbraw/zinc/66/00/00/1007660000.db2.gz RABVAPBCBFQXLS-HZPDHXFCSA-N 1 0 363.477 2.571 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000817943352 1007820404 /nfs/dbraw/zinc/82/04/04/1007820404.db2.gz UQDFEULFHYWAQH-BEFAXECRSA-N 1 0 350.470 2.684 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000114587938 1007969147 /nfs/dbraw/zinc/96/91/47/1007969147.db2.gz VCYFGRQMLMCAHI-HOTGVXAUSA-N 1 0 363.502 2.958 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000114587940 1007969688 /nfs/dbraw/zinc/96/96/88/1007969688.db2.gz VCYFGRQMLMCAHI-HZPDHXFCSA-N 1 0 363.502 2.958 20 10 FFCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968330 1008011909 /nfs/dbraw/zinc/01/19/09/1008011909.db2.gz RAOBPWYDSXBOTM-NQIIRXRSSA-N 1 0 367.493 2.520 20 10 FFCDRO C[C@@H]1CCC[C@@](CN2C(=O)CN(Cc3ccccc3O)C2=O)([NH+](C)C)C1 ZINC000819165309 1008054824 /nfs/dbraw/zinc/05/48/24/1008054824.db2.gz TYUYKKUBCYTKOJ-FOIQADDNSA-N 1 0 359.470 2.667 20 10 FFCDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000857333346 1008123997 /nfs/dbraw/zinc/12/39/97/1008123997.db2.gz JBYRTJOZIAZXDZ-GOSISDBHSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000819381270 1008128228 /nfs/dbraw/zinc/12/82/28/1008128228.db2.gz XEFXIMJQRACREN-VQIMIIECSA-N 1 0 374.456 2.690 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)CNc3ccc(C)c(C)c3)CC2)cc1 ZINC000819389730 1008132464 /nfs/dbraw/zinc/13/24/64/1008132464.db2.gz RTGOMHCYOQQWLR-OAQYLSRUSA-N 1 0 369.509 2.907 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)C2)cc1 ZINC000819582885 1008183066 /nfs/dbraw/zinc/18/30/66/1008183066.db2.gz RAGAOOGLHKFNAK-ROUUACIJSA-N 1 0 359.514 2.902 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000857846407 1008223827 /nfs/dbraw/zinc/22/38/27/1008223827.db2.gz KSAISMDIAWGNIS-HXUWFJFHSA-N 1 0 369.513 2.598 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000819825329 1008237888 /nfs/dbraw/zinc/23/78/88/1008237888.db2.gz RRUGRYUCLLUIHG-WOJBJXKFSA-N 1 0 367.493 2.684 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000858117181 1008305050 /nfs/dbraw/zinc/30/50/50/1008305050.db2.gz CRKMIRDKJAGWGI-UHFFFAOYSA-N 1 0 366.500 2.679 20 10 FFCDRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000820351977 1008322793 /nfs/dbraw/zinc/32/27/93/1008322793.db2.gz GDBGSZSRBXXQIQ-HUUCEWRRSA-N 1 0 367.440 2.715 20 10 FFCDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)COc2ccccc2O1 ZINC000858208542 1008325062 /nfs/dbraw/zinc/32/50/62/1008325062.db2.gz HQQJAWBSYROXOY-OAQYLSRUSA-N 1 0 372.440 2.982 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1F ZINC000858280668 1008339028 /nfs/dbraw/zinc/33/90/28/1008339028.db2.gz ZXVOVQXAYKEWIK-HNNXBMFYSA-N 1 0 367.465 2.617 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858338733 1008347662 /nfs/dbraw/zinc/34/76/62/1008347662.db2.gz LDAYVDGKJHJJBJ-QFIPXVFZSA-N 1 0 353.510 2.869 20 10 FFCDRO CCOCc1cc(C[NH2+]C2CCN(C(=O)OCC)CC2)ccc1OC ZINC001177200726 1008515533 /nfs/dbraw/zinc/51/55/33/1008515533.db2.gz ZZJPTCMAPCFLSB-UHFFFAOYSA-N 1 0 350.459 2.942 20 10 FFCDRO C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(N(C)C)cc1 ZINC000773622550 1008518153 /nfs/dbraw/zinc/51/81/53/1008518153.db2.gz GFVHDXZOPMHPNI-KRWDZBQOSA-N 1 0 374.529 2.567 20 10 FFCDRO OCC1([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCOCC2)CCC1 ZINC000822526842 1008646269 /nfs/dbraw/zinc/64/62/69/1008646269.db2.gz ZLVDQHOJQWPVNO-NRFANRHFSA-N 1 0 374.525 2.571 20 10 FFCDRO COC(=O)c1cncc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000886510112 1008708786 /nfs/dbraw/zinc/70/87/86/1008708786.db2.gz URLNWMPMDKYVBO-OAHLLOKOSA-N 1 0 355.438 2.556 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822967942 1008842530 /nfs/dbraw/zinc/84/25/30/1008842530.db2.gz TXMDJSZZVKVAQZ-DLBZAZTESA-N 1 0 362.518 2.551 20 10 FFCDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886751554 1008859312 /nfs/dbraw/zinc/85/93/12/1008859312.db2.gz UFLBNCVTYWOKFX-KRWDZBQOSA-N 1 0 366.509 2.894 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@H]3COc4cc(F)cc(F)c43)cc2)CC1 ZINC001178469395 1009000765 /nfs/dbraw/zinc/00/07/65/1009000765.db2.gz OAWYVNGYQBHBNT-SFHVURJKSA-N 1 0 359.420 2.940 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000860612613 1009082197 /nfs/dbraw/zinc/08/21/97/1009082197.db2.gz DBTZRDBOWXNFQI-UHFFFAOYSA-N 1 0 351.450 2.898 20 10 FFCDRO CC[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000823602461 1009136482 /nfs/dbraw/zinc/13/64/82/1009136482.db2.gz NESGAOPVYUQFIP-UYAOXDASSA-N 1 0 361.530 2.755 20 10 FFCDRO CCN(C)c1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000773817291 1009364561 /nfs/dbraw/zinc/36/45/61/1009364561.db2.gz ILKYQNNWFOBEEH-UHFFFAOYSA-N 1 0 368.481 2.680 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC2([NH+]3CCOCC3)CCCC2)c1 ZINC000118785846 1009735049 /nfs/dbraw/zinc/73/50/49/1009735049.db2.gz BNIZVVPXPZOPMR-OAHLLOKOSA-N 1 0 362.470 2.613 20 10 FFCDRO CN(C)c1cc(F)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1F ZINC000862383700 1009821156 /nfs/dbraw/zinc/82/11/56/1009821156.db2.gz YEERDOREAZHKLI-DZGCQCFKSA-N 1 0 359.420 2.812 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+]C[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000862397917 1009826410 /nfs/dbraw/zinc/82/64/10/1009826410.db2.gz QENBDWRISMLUEE-MRXNPFEDSA-N 1 0 369.465 2.883 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000862407483 1009829635 /nfs/dbraw/zinc/82/96/35/1009829635.db2.gz GMNLWTJKVXFNEQ-INIZCTEOSA-N 1 0 355.438 2.635 20 10 FFCDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(C(N)=O)c3)c2)CC1 ZINC000118942742 1009846369 /nfs/dbraw/zinc/84/63/69/1009846369.db2.gz UJKKAQFYGVMWIQ-UHFFFAOYSA-N 1 0 366.465 2.568 20 10 FFCDRO C[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1O ZINC000889658275 1010043505 /nfs/dbraw/zinc/04/35/05/1010043505.db2.gz BSWHPXIXVKUVKU-INIZCTEOSA-N 1 0 368.481 2.704 20 10 FFCDRO C[C@H](C1CC1)N(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000889666714 1010048056 /nfs/dbraw/zinc/04/80/56/1010048056.db2.gz PEXDEQSWLSBMBL-MRXNPFEDSA-N 1 0 356.514 2.911 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3c3ccc[nH]3)cc2)CC1 ZINC000889669455 1010048082 /nfs/dbraw/zinc/04/80/82/1010048082.db2.gz KATBANJHEPIPRZ-HXUWFJFHSA-N 1 0 367.497 2.813 20 10 FFCDRO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889670727 1010049323 /nfs/dbraw/zinc/04/93/23/1010049323.db2.gz ZHMYGNUSPHHMQY-KRWDZBQOSA-N 1 0 367.497 2.736 20 10 FFCDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2ccc(Cl)cc2O)cc1O ZINC001181504921 1010123592 /nfs/dbraw/zinc/12/35/92/1010123592.db2.gz ATWCBRQAOAIOSU-CYBMUJFWSA-N 1 0 351.830 2.701 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC[C@H]1C(=O)OC(C)(C)C ZINC000863303711 1010166780 /nfs/dbraw/zinc/16/67/80/1010166780.db2.gz YQJACEVNVQSMSK-MRRJBJDNSA-N 1 0 363.454 2.618 20 10 FFCDRO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 ZINC001181685747 1010192278 /nfs/dbraw/zinc/19/22/78/1010192278.db2.gz CDFRMTFSFBSXOO-OAHLLOKOSA-N 1 0 354.516 2.619 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCCc2cn[nH]c2)C1 ZINC000774120765 1010479240 /nfs/dbraw/zinc/47/92/40/1010479240.db2.gz BKWGLLPXXXYVME-UHFFFAOYSA-N 1 0 366.465 2.917 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(C)cc1O ZINC000794801341 1010632055 /nfs/dbraw/zinc/63/20/55/1010632055.db2.gz IODTYSDCYCBPGG-PBHICJAKSA-N 1 0 359.422 2.910 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(C)cc1O ZINC000794801342 1010632539 /nfs/dbraw/zinc/63/25/39/1010632539.db2.gz IODTYSDCYCBPGG-RHSMWYFYSA-N 1 0 359.422 2.910 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000120811253 1010891481 /nfs/dbraw/zinc/89/14/81/1010891481.db2.gz JNMDZQUWNLPQQI-QZTJIDSGSA-N 1 0 374.529 2.790 20 10 FFCDRO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cc2c(cc1O)CCCC2 ZINC000866629941 1011027346 /nfs/dbraw/zinc/02/73/46/1011027346.db2.gz UIOLVUNWYPKNGH-GFCCVEGCSA-N 1 0 355.438 2.690 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1O ZINC000868066669 1011157979 /nfs/dbraw/zinc/15/79/79/1011157979.db2.gz NBOKTEYSFDJSNY-OAHLLOKOSA-N 1 0 354.454 2.812 20 10 FFCDRO CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)C1=O ZINC001275027277 1011826900 /nfs/dbraw/zinc/82/69/00/1011826900.db2.gz SFFXZJLXXCQBEI-IERDGZPVSA-N 1 0 357.498 2.738 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(O)ccc2O)N1CCC(F)(F)F ZINC001275033433 1011837454 /nfs/dbraw/zinc/83/74/54/1011837454.db2.gz BDNPXHKDXFBYDK-ZIAGYGMSSA-N 1 0 358.360 2.616 20 10 FFCDRO O=C1C[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)C(=O)N1CC1CCCC1 ZINC001275232755 1012113769 /nfs/dbraw/zinc/11/37/69/1012113769.db2.gz ZYJBBWCSXMXBBZ-OAQYLSRUSA-N 1 0 356.466 2.924 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCc3cnoc3)CC2)c1 ZINC001275239204 1012129936 /nfs/dbraw/zinc/12/99/36/1012129936.db2.gz RWKYWLCNKBACEL-KRWDZBQOSA-N 1 0 355.438 2.607 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)c1 ZINC001275254534 1012146674 /nfs/dbraw/zinc/14/66/74/1012146674.db2.gz SJEHXZSEHUMTER-QGZVFWFLSA-N 1 0 372.387 2.778 20 10 FFCDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172955641 1012161140 /nfs/dbraw/zinc/16/11/40/1012161140.db2.gz WFJYRQDRUQNFOZ-GFCCVEGCSA-N 1 0 354.447 2.581 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@@H]3CCc4ncsc4C3)CC2)c(OC)c1 ZINC001173145292 1012290063 /nfs/dbraw/zinc/29/00/63/1012290063.db2.gz KDLCCHUHFBAMIC-CQSZACIVSA-N 1 0 359.495 2.840 20 10 FFCDRO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275385731 1012404565 /nfs/dbraw/zinc/40/45/65/1012404565.db2.gz LHOSJFOTDQAIAG-IERDGZPVSA-N 1 0 358.482 2.883 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(C)C)C3=O)c(OC)c1 ZINC001275449262 1012478935 /nfs/dbraw/zinc/47/89/35/1012478935.db2.gz XEGKYCPGKIRDPT-FQEVSTJZSA-N 1 0 362.470 2.632 20 10 FFCDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000096970911 1012524033 /nfs/dbraw/zinc/52/40/33/1012524033.db2.gz OHOKGWDYAZNAQW-UHFFFAOYSA-N 1 0 371.481 2.588 20 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Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000726163649 1020426056 /nfs/dbraw/zinc/42/60/56/1020426056.db2.gz LNHCANYYZBVKQB-OALUTQOASA-N 1 0 367.493 2.996 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000726612368 1020494198 /nfs/dbraw/zinc/49/41/98/1020494198.db2.gz YPXWPFIMFCAYLC-QGZVFWFLSA-N 1 0 374.529 2.695 20 10 FFCDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1c(O)cccc1F ZINC000902944888 1020589491 /nfs/dbraw/zinc/58/94/91/1020589491.db2.gz NDBWVJFUYUWXOA-UHFFFAOYSA-N 1 0 372.444 2.913 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2ccnc(F)c2F)[NH+](C)C)cc1 ZINC000931980231 1020654771 /nfs/dbraw/zinc/65/47/71/1020654771.db2.gz BXDMDNHPABCGSN-OAHLLOKOSA-N 1 0 363.412 2.850 20 10 FFCDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000932103790 1020708237 /nfs/dbraw/zinc/70/82/37/1020708237.db2.gz ZZXMSVYXIUXYRD-SJLPKXTDSA-N 1 0 360.498 2.933 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+]CC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001218020522 1032956380 /nfs/dbraw/zinc/95/63/80/1032956380.db2.gz UAUCIVSIKYOUGP-HOTGVXAUSA-N 1 0 369.392 2.940 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCc4ccccc4[C@@H]3CO)cc2F)CC1 ZINC001116442576 1021220263 /nfs/dbraw/zinc/22/02/63/1021220263.db2.gz FOFWEWCFQUFDMO-QFIPXVFZSA-N 1 0 369.484 2.669 20 10 FFCDRO COc1c(C)c(O[C@@H]2C[NH2+]C[C@H]2C)cc2c1C(=O)c1ccccc1C2=O ZINC001218033549 1032963663 /nfs/dbraw/zinc/96/36/63/1032963663.db2.gz BZYSBSDBMFNQNA-PIGZYNQJSA-N 1 0 351.402 2.766 20 10 FFCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC001218030655 1032963756 /nfs/dbraw/zinc/96/37/56/1032963756.db2.gz TTZZHUXAOWKDDB-BLLLJJGKSA-N 1 0 351.402 2.935 20 10 FFCDRO COc1c(C)c(O[C@H]2C[NH2+][C@H](C)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218039686 1032966075 /nfs/dbraw/zinc/96/60/75/1032966075.db2.gz SYLXKRRUBOMKQK-DGCLKSJQSA-N 1 0 351.402 2.908 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Br)ccc1O ZINC001116651856 1021332313 /nfs/dbraw/zinc/33/23/13/1021332313.db2.gz UQAPJAVYLZVVNE-MRXNPFEDSA-N 1 0 371.319 2.900 20 10 FFCDRO COc1c(C)c(O[C@H]2CC[NH2+]C[C@@H]2F)cc2c1C(=O)c1ccccc1C2=O ZINC001218073823 1032980150 /nfs/dbraw/zinc/98/01/50/1032980150.db2.gz WLUUPYCDPUFHDC-HOTGVXAUSA-N 1 0 369.392 2.858 20 10 FFCDRO O=C1c2ccccc2C(=O)c2cc(O[C@H]3CSC4(C[NH2+]C4)C3)ccc21 ZINC001218100401 1032994597 /nfs/dbraw/zinc/99/45/97/1032994597.db2.gz PHPVTQLKBVAZDG-CYBMUJFWSA-N 1 0 351.427 2.688 20 10 FFCDRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000721901926 1022664131 /nfs/dbraw/zinc/66/41/31/1022664131.db2.gz JFSKEOZKTSQXFO-UHFFFAOYSA-N 1 0 367.465 2.610 20 10 FFCDRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC000048458103 1022727826 /nfs/dbraw/zinc/72/78/26/1022727826.db2.gz BRBPCZNHBQKWEI-HDICACEKSA-N 1 0 374.529 2.585 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000159962933 1022852593 /nfs/dbraw/zinc/85/25/93/1022852593.db2.gz BJSNNZDFGNJTPV-YJBOKZPZSA-N 1 0 369.465 2.721 20 10 FFCDRO CC(C)OCC[N@@H+]1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001276780702 1033093655 /nfs/dbraw/zinc/09/36/55/1033093655.db2.gz BLYPPRBQDPSCPJ-OAQYLSRUSA-N 1 0 359.514 2.745 20 10 FFCDRO CNC(=O)CCOC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000751950793 1022992378 /nfs/dbraw/zinc/99/23/78/1022992378.db2.gz DYYGQJHPRBENCQ-UHFFFAOYSA-N 1 0 364.486 2.512 20 10 FFCDRO COc1ccc2c(c1O[C@H]1C[NH2+]CC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218320383 1033102502 /nfs/dbraw/zinc/10/25/02/1033102502.db2.gz YBLRFJKORBNUHR-ZBFHGGJFSA-N 1 0 355.365 2.549 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001122241924 1023138941 /nfs/dbraw/zinc/13/89/41/1023138941.db2.gz CUYJOAIAQKLMKM-LSDHHAIUSA-N 1 0 366.387 2.841 20 10 FFCDRO COc1ccc2ccc(O)c(CN3CC[N@H+](CC(C)(C)O)C[C@@H]3C)c2c1 ZINC000188843022 1023149871 /nfs/dbraw/zinc/14/98/71/1023149871.db2.gz CIIYHKRQMXAFKL-HNNXBMFYSA-N 1 0 358.482 2.831 20 10 FFCDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(N)cc1 ZINC001120592045 1023374768 /nfs/dbraw/zinc/37/47/68/1023374768.db2.gz PWUBQKASYAQJSB-IBGZPJMESA-N 1 0 352.482 2.932 20 10 FFCDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001218395086 1033136517 /nfs/dbraw/zinc/13/65/17/1033136517.db2.gz ZZYZNIOFEFXVJL-MGPUTAFESA-N 1 0 368.437 2.661 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+]C[C@@H]1C)C(=O)c1ccccc1C2=O ZINC001218417781 1033146817 /nfs/dbraw/zinc/14/68/17/1033146817.db2.gz XMOKPJKKOOIVLQ-GTNSWQLSSA-N 1 0 351.402 2.853 20 10 FFCDRO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3[O-])cn2)CC1 ZINC000756431017 1023709899 /nfs/dbraw/zinc/70/98/99/1023709899.db2.gz ATEJGTMYZSLPBR-OAHLLOKOSA-N 1 0 358.461 2.919 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(O)c1 ZINC000756526042 1023723111 /nfs/dbraw/zinc/72/31/11/1023723111.db2.gz RTIIAZSIIBFSHA-RNODOKPDSA-N 1 0 353.422 2.606 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2COc3cc(OC)ccc3C2)c1 ZINC000756776082 1023753663 /nfs/dbraw/zinc/75/36/63/1023753663.db2.gz WFMIBZIXDHQHAE-IUODEOHRSA-N 1 0 357.406 2.842 20 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ZINC001121921725 1024171472 /nfs/dbraw/zinc/17/14/72/1024171472.db2.gz UNNDXJYKWGPTCJ-MRXNPFEDSA-N 1 0 367.497 2.541 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000079300361 1024236231 /nfs/dbraw/zinc/23/62/31/1024236231.db2.gz CKZBTPJQLPAZGB-UHFFFAOYSA-N 1 0 353.466 2.982 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CC(C)C)C1)cc2=O ZINC000759391010 1024590659 /nfs/dbraw/zinc/59/06/59/1024590659.db2.gz GCNQSSWTJIPKOL-CQSZACIVSA-N 1 0 360.458 2.870 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCCCO3)cc2F)CC1 ZINC000087255429 1025325440 /nfs/dbraw/zinc/32/54/40/1025325440.db2.gz OFEIKBWSVIMUKR-QGZVFWFLSA-N 1 0 363.477 2.543 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCCN(c4ccc(F)cn4)CC3)ccc21 ZINC001141139903 1025507360 /nfs/dbraw/zinc/50/73/60/1025507360.db2.gz DKAGZIKKSHUKHE-UHFFFAOYSA-N 1 0 356.445 2.762 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001141144560 1025519871 /nfs/dbraw/zinc/51/98/71/1025519871.db2.gz GTHGZOUGJRKQNW-ZBFHGGJFSA-N 1 0 361.486 2.860 20 10 FFCDRO Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146066 1025523122 /nfs/dbraw/zinc/52/31/22/1025523122.db2.gz JHYQKSVINNIAOC-QGZVFWFLSA-N 1 0 354.454 2.657 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC001141163234 1025545746 /nfs/dbraw/zinc/54/57/46/1025545746.db2.gz WOLTWKDPDURRTD-UHFFFAOYSA-N 1 0 352.232 2.894 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2C)cc1 ZINC000837306620 1025714870 /nfs/dbraw/zinc/71/48/70/1025714870.db2.gz PBODASDFALDWFO-DLBZAZTESA-N 1 0 353.466 2.784 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OCc2cc[nH]n2)C1 ZINC000837673544 1025957527 /nfs/dbraw/zinc/95/75/27/1025957527.db2.gz NYLMTNWGSCJSFX-UHFFFAOYSA-N 1 0 352.438 2.874 20 10 FFCDRO CN(Cc1cn2cccnc2n1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000839004192 1026563134 /nfs/dbraw/zinc/56/31/34/1026563134.db2.gz IHMBFEDTWKYIDJ-UHFFFAOYSA-N 1 0 351.454 2.840 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(O)cc1C ZINC000840128149 1026970931 /nfs/dbraw/zinc/97/09/31/1026970931.db2.gz RTYJLYIBFZIJNA-GXTWGEPZSA-N 1 0 372.387 2.552 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000840321809 1027048541 /nfs/dbraw/zinc/04/85/41/1027048541.db2.gz OUHWPGYVDHPAJQ-GQIGUUNPSA-N 1 0 358.530 2.774 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000840480595 1027089164 /nfs/dbraw/zinc/08/91/64/1027089164.db2.gz XCKJKDRGXQBOED-KRWDZBQOSA-N 1 0 358.530 2.872 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092704264 1027409034 /nfs/dbraw/zinc/40/90/34/1027409034.db2.gz UOLXIVVMXZLLGE-QGZVFWFLSA-N 1 0 361.486 2.622 20 10 FFCDRO O=[N+]([O-])c1cnc(NCc2cc3ccccc3cc2O)nc1C1C[NH2+]C1 ZINC001160213529 1027638093 /nfs/dbraw/zinc/63/80/93/1027638093.db2.gz HOBCPNUEKHKTSU-UHFFFAOYSA-N 1 0 351.366 2.543 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000248487580 1027659717 /nfs/dbraw/zinc/65/97/17/1027659717.db2.gz GFYMBXYMQAMFGY-MDKPJZGXSA-N 1 0 370.493 2.934 20 10 FFCDRO Cn1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC001153443613 1027880752 /nfs/dbraw/zinc/88/07/52/1027880752.db2.gz MRZZLYICEPHIHW-UHFFFAOYSA-N 1 0 362.477 2.860 20 10 FFCDRO CO[C@@H]1CN(C(=O)c2cccc(N=Nc3ccc(N(C)C)cc3)c2)C[C@@H]1[NH3+] ZINC001161493397 1028197908 /nfs/dbraw/zinc/19/79/08/1028197908.db2.gz MTXKMIBUOPJGBS-RBUKOAKNSA-N 1 0 367.453 2.966 20 10 FFCDRO Nc1cc([N+](=O)[O-])cnc1N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001155640601 1028831492 /nfs/dbraw/zinc/83/14/92/1028831492.db2.gz ICTCDMNIYCPIKF-OSGQAZFXSA-N 1 0 369.469 2.971 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001163488384 1028942019 /nfs/dbraw/zinc/94/20/19/1028942019.db2.gz YYHSOOROAAQPEG-HXUWFJFHSA-N 1 0 367.497 2.944 20 10 FFCDRO CCOC(=O)c1ccc(C)c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156650861 1029286205 /nfs/dbraw/zinc/28/62/05/1029286205.db2.gz DXUVAUKYWAVGNJ-UHFFFAOYSA-N 1 0 368.481 2.931 20 10 FFCDRO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000782872019 1029841762 /nfs/dbraw/zinc/84/17/62/1029841762.db2.gz PZEBOLACGVLILD-MRXNPFEDSA-N 1 0 357.498 2.575 20 10 FFCDRO CC(C)CN1C[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CCN2C1=O ZINC000782887079 1029845273 /nfs/dbraw/zinc/84/52/73/1029845273.db2.gz TTXFCDCGJRHNPT-LJQANCHMSA-N 1 0 357.498 2.849 20 10 FFCDRO COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1=O ZINC000840936794 1029934236 /nfs/dbraw/zinc/93/42/36/1029934236.db2.gz GJQKTXHMJWNHSP-GOSISDBHSA-N 1 0 353.466 2.965 20 10 FFCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000840957885 1029942984 /nfs/dbraw/zinc/94/29/84/1029942984.db2.gz LTVKOTAKVRXOFV-SFHVURJKSA-N 1 0 354.450 2.881 20 10 FFCDRO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840956377 1029944588 /nfs/dbraw/zinc/94/45/88/1029944588.db2.gz SGINWZSMYQOYNU-WIYYLYMNSA-N 1 0 356.441 2.970 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000841012806 1029975734 /nfs/dbraw/zinc/97/57/34/1029975734.db2.gz GASBOKLAGZIPNX-UHFFFAOYSA-N 1 0 368.481 2.589 20 10 FFCDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[NH2+]1 ZINC000841174119 1030092619 /nfs/dbraw/zinc/09/26/19/1030092619.db2.gz UKXKGUQWURHWFZ-AWEZNQCLSA-N 1 0 351.410 2.861 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000841306751 1030177829 /nfs/dbraw/zinc/17/78/29/1030177829.db2.gz AGRNAZFIRGPDMU-UHFFFAOYSA-N 1 0 354.454 2.769 20 10 FFCDRO CCO[C@H]1C[C@@](CO)([NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1(C)C ZINC000783724964 1030253132 /nfs/dbraw/zinc/25/31/32/1030253132.db2.gz ZGSOWXQQEIWQAL-FPOVZHCZSA-N 1 0 362.514 2.820 20 10 FFCDRO Nc1ccc(CCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000841694755 1030410449 /nfs/dbraw/zinc/41/04/49/1030410449.db2.gz KCYHTCJXKOMMKK-HXUWFJFHSA-N 1 0 352.482 2.948 20 10 FFCDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000841709897 1030422464 /nfs/dbraw/zinc/42/24/64/1030422464.db2.gz OLQSSJNIDRYFEO-FQEVSTJZSA-N 1 0 352.482 2.775 20 10 FFCDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000841731208 1030432613 /nfs/dbraw/zinc/43/26/13/1030432613.db2.gz SQORCYNUBRLVBV-OXQOHEQNSA-N 1 0 352.482 2.946 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC[C@H]3[NH2+]CCc4ccccc43)ccc21 ZINC000841760396 1030448464 /nfs/dbraw/zinc/44/84/64/1030448464.db2.gz VEIRLHOBJQNWEU-HXUWFJFHSA-N 1 0 364.493 2.755 20 10 FFCDRO Nc1ccc(CCNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000841787213 1030466543 /nfs/dbraw/zinc/46/65/43/1030466543.db2.gz BWBWFZJIMFMMDE-HXUWFJFHSA-N 1 0 366.509 2.675 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC000841799662 1030473002 /nfs/dbraw/zinc/47/30/02/1030473002.db2.gz ZOHGBKIMZDZIMH-FQEVSTJZSA-N 1 0 362.493 2.957 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C)CN1CCO ZINC000841891621 1030523395 /nfs/dbraw/zinc/52/33/95/1030523395.db2.gz MXPUVKHJVADBFB-ROUUACIJSA-N 1 0 370.493 2.858 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CCN(c2cc(N(C)C)[nH+]c(C)n2)C1 ZINC001166815973 1030530832 /nfs/dbraw/zinc/53/08/32/1030530832.db2.gz NHLZBOPBCNBQRD-UHFFFAOYSA-N 1 0 351.454 2.914 20 10 FFCDRO CC1(C)CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)O1 ZINC000784565004 1030686541 /nfs/dbraw/zinc/68/65/41/1030686541.db2.gz LYJLXYUGIPRMCX-FQEVSTJZSA-N 1 0 371.525 2.792 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001203556464 1030762866 /nfs/dbraw/zinc/76/28/66/1030762866.db2.gz PXNHJEOGCVQFFR-CYBMUJFWSA-N 1 0 350.216 2.598 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)c1O ZINC001203594406 1030779197 /nfs/dbraw/zinc/77/91/97/1030779197.db2.gz YJHRWVVLAOMHGH-GDBMZVCRSA-N 1 0 359.495 2.954 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203617927 1030788303 /nfs/dbraw/zinc/78/83/03/1030788303.db2.gz YLLQLSSJILCGQE-GOEBONIOSA-N 1 0 366.458 2.515 20 10 FFCDRO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c(O)c1 ZINC001203623832 1030791233 /nfs/dbraw/zinc/79/12/33/1030791233.db2.gz WYFNAVQCRWZLKU-ZAAXVRCTSA-N 1 0 370.449 2.854 20 10 FFCDRO COc1ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c(O)c1 ZINC001203622242 1030793207 /nfs/dbraw/zinc/79/32/07/1030793207.db2.gz VHSBIODLSNAIGX-IHPCNDPISA-N 1 0 356.422 2.607 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c(O)c1 ZINC001203635141 1030797422 /nfs/dbraw/zinc/79/74/22/1030797422.db2.gz LHIVFSRTBDHRAL-GOSISDBHSA-N 1 0 356.422 2.543 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001203669679 1030817302 /nfs/dbraw/zinc/81/73/02/1030817302.db2.gz CIKYHEJSRPFYEC-CEWLAPEOSA-N 1 0 370.449 2.744 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001203673171 1030822428 /nfs/dbraw/zinc/82/24/28/1030822428.db2.gz PNQPSKKOAUDBOM-RXVVDRJESA-N 1 0 352.434 2.507 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1C(=O)OC(C)(C)C ZINC000842616188 1030827780 /nfs/dbraw/zinc/82/77/80/1030827780.db2.gz PUQHKFNINNQCRX-PVUWLOKVSA-N 1 0 363.454 2.618 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)cc1 ZINC001203932081 1030992595 /nfs/dbraw/zinc/99/25/95/1030992595.db2.gz QLFWRTRPSKLAOA-PWRODBHTSA-N 1 0 353.466 2.564 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC001203933454 1030994031 /nfs/dbraw/zinc/99/40/31/1030994031.db2.gz LPYQKRACDOXDDH-RTWAWAEBSA-N 1 0 353.466 2.960 20 10 FFCDRO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)cc1 ZINC001204281800 1031207104 /nfs/dbraw/zinc/20/71/04/1031207104.db2.gz KLQVIODHBWYBHY-IBGZPJMESA-N 1 0 370.449 2.891 20 10 FFCDRO COc1cc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2C)cc(O)c1O ZINC001204343076 1031238232 /nfs/dbraw/zinc/23/82/32/1031238232.db2.gz PFMOXDSZDGQFSH-CQSZACIVSA-N 1 0 360.429 2.952 20 10 FFCDRO CCc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000843299408 1031297495 /nfs/dbraw/zinc/29/74/95/1031297495.db2.gz STQOLGLPTXFFFB-QGZVFWFLSA-N 1 0 357.502 2.696 20 10 FFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184354 1031330319 /nfs/dbraw/zinc/33/03/19/1031330319.db2.gz UAYNTHSNCOEHEZ-OLZOCXBDSA-N 1 0 373.419 2.649 20 10 FFCDRO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184355 1031331119 /nfs/dbraw/zinc/33/11/19/1031331119.db2.gz UAYNTHSNCOEHEZ-QWHCGFSZSA-N 1 0 373.419 2.649 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000843350850 1031342975 /nfs/dbraw/zinc/34/29/75/1031342975.db2.gz WYDVLOKDSNXKNG-LJQANCHMSA-N 1 0 366.421 2.612 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1cc(OC)ccc1O)Cc1ccc(F)cc1C ZINC000843414727 1031390082 /nfs/dbraw/zinc/39/00/82/1031390082.db2.gz LJESZTWWRHLYIR-MRXNPFEDSA-N 1 0 360.429 2.543 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cnn(C)c4)C3)C2)cc1 ZINC001204984975 1031480171 /nfs/dbraw/zinc/48/01/71/1031480171.db2.gz GXOJNYWGBPQFKT-NRFANRHFSA-N 1 0 370.497 2.548 20 10 FFCDRO CN1CC[NH+](C2(c3ccc(N(CCO)c4ccc(N)cc4)cc3)CC2)CC1 ZINC001205108296 1031527323 /nfs/dbraw/zinc/52/73/23/1031527323.db2.gz NMNSLAQFJVUCAO-UHFFFAOYSA-N 1 0 366.509 2.636 20 10 FFCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CCC1(F)F ZINC001205781301 1031988438 /nfs/dbraw/zinc/98/84/38/1031988438.db2.gz VUJQZWDVDHJVEE-CQSZACIVSA-N 1 0 359.848 2.593 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205855996 1032035641 /nfs/dbraw/zinc/03/56/41/1032035641.db2.gz RQMZLVBGGMWBHZ-NVXWUHKLSA-N 1 0 364.486 2.674 20 10 FFCDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1O ZINC000830540492 1033662951 /nfs/dbraw/zinc/66/29/51/1033662951.db2.gz LAQNTOOJTPJMKW-LJQANCHMSA-N 1 0 368.477 2.972 20 10 FFCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000830545006 1033666612 /nfs/dbraw/zinc/66/66/12/1033666612.db2.gz VOHCJJAMAWDWCF-SFHVURJKSA-N 1 0 368.477 2.972 20 10 FFCDRO Cc1c(C[N@H+]2CC[C@H]3O[C@H](C(=O)NC(C)C)C[C@H]32)c2ccccc2n1C ZINC001138256546 1034026085 /nfs/dbraw/zinc/02/60/85/1034026085.db2.gz ABIDGEJFVHGDNC-AQNXPRMDSA-N 1 0 355.482 2.743 20 10 FFCDRO COc1ccnc(O[C@H]2CC[N@H+](Cc3c4ccccc4n(C)c3C)C2)n1 ZINC001138259698 1034030400 /nfs/dbraw/zinc/03/04/00/1034030400.db2.gz MIKIOOBZGUBXDU-HNNXBMFYSA-N 1 0 352.438 2.939 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC2CC2)cc1C ZINC001225025918 1034098707 /nfs/dbraw/zinc/09/87/07/1034098707.db2.gz BGOSEAYYCOJGEY-RTBURBONSA-N 1 0 360.498 2.947 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138338410 1034168101 /nfs/dbraw/zinc/16/81/01/1034168101.db2.gz RAEOSUBAGGJKFZ-QGZVFWFLSA-N 1 0 356.388 2.590 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138340613 1034170769 /nfs/dbraw/zinc/17/07/69/1034170769.db2.gz XDLKKNIWKVGTBH-UHFFFAOYSA-N 1 0 371.481 2.508 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2cn(C)nc21 ZINC001138355245 1034191391 /nfs/dbraw/zinc/19/13/91/1034191391.db2.gz MLMJJBXHKUTUQV-IBGZPJMESA-N 1 0 354.498 2.938 20 10 FFCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001138497883 1034336783 /nfs/dbraw/zinc/33/67/83/1034336783.db2.gz NSVMSSKTBTVBBD-FCHUYYIVSA-N 1 0 372.509 2.683 20 10 FFCDRO COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC001138499890 1034343313 /nfs/dbraw/zinc/34/33/13/1034343313.db2.gz NUSHKVICNYRTCA-IBGZPJMESA-N 1 0 369.465 2.580 20 10 FFCDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675708 1034535305 /nfs/dbraw/zinc/53/53/05/1034535305.db2.gz IGEZPJWDAMRMBL-UHFFFAOYSA-N 1 0 370.335 2.669 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC001221281852 1034642722 /nfs/dbraw/zinc/64/27/22/1034642722.db2.gz FFUCPIANENLLGV-WIYYLYMNSA-N 1 0 366.509 2.994 20 10 FFCDRO CCCN(CC)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832278148 1034697139 /nfs/dbraw/zinc/69/71/39/1034697139.db2.gz AYZDOLDMXOYYNT-LJQANCHMSA-N 1 0 369.513 2.814 20 10 FFCDRO CCOc1ccc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832279869 1034698000 /nfs/dbraw/zinc/69/80/00/1034698000.db2.gz MCZBJHWEFDBGEA-HXUWFJFHSA-N 1 0 355.482 2.900 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000832293345 1034708294 /nfs/dbraw/zinc/70/82/94/1034708294.db2.gz VHSKKTRRPOFDFS-GOSISDBHSA-N 1 0 359.445 2.865 20 10 FFCDRO CN1CC[C@@]2(C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2c2ccccc2)C1=O ZINC001140054660 1035324156 /nfs/dbraw/zinc/32/41/56/1035324156.db2.gz VRMHYCKZYLXGKP-NQIIRXRSSA-N 1 0 354.425 2.979 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001140102696 1035342539 /nfs/dbraw/zinc/34/25/39/1035342539.db2.gz WSWJJRXPUSPERF-LLVKDONJSA-N 1 0 368.206 2.737 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140102563 1035342813 /nfs/dbraw/zinc/34/28/13/1035342813.db2.gz RZHBVNLVIHFRRN-NSHDSACASA-N 1 0 350.216 2.598 20 10 FFCDRO COCCO[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)[C@H]1Cc1cnn(C)c1 ZINC001140180580 1035369923 /nfs/dbraw/zinc/36/99/23/1035369923.db2.gz ZFKPVMKJTGYKOP-PMACEKPBSA-N 1 0 373.497 2.591 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCc3onc(C(=O)N4CCCC4)c3C2)c1O ZINC001140180483 1035370120 /nfs/dbraw/zinc/37/01/20/1035370120.db2.gz XMKYDBQOHVVVSD-UHFFFAOYSA-N 1 0 355.438 2.791 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c1O ZINC001140180417 1035370136 /nfs/dbraw/zinc/37/01/36/1035370136.db2.gz HFEFVFJFIQEBNX-OAQYLSRUSA-N 1 0 360.498 2.858 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)c1O ZINC001140180856 1035370800 /nfs/dbraw/zinc/37/08/00/1035370800.db2.gz NGLDNEAXOVLBDD-LJQANCHMSA-N 1 0 372.509 2.860 20 10 FFCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834555303 1035406802 /nfs/dbraw/zinc/40/68/02/1035406802.db2.gz QOTLBQZCBHIMHM-IBGZPJMESA-N 1 0 365.477 2.838 20 10 FFCDRO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282029 1035417500 /nfs/dbraw/zinc/41/75/00/1035417500.db2.gz XFYUKGBYWWDYCN-IBGZPJMESA-N 1 0 373.541 2.728 20 10 FFCDRO O=c1c2ccccc2nnn1C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464846 1035485115 /nfs/dbraw/zinc/48/51/15/1035485115.db2.gz CHMINQMJEQZWJO-UHFFFAOYSA-N 1 0 370.840 2.988 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000835034724 1035490913 /nfs/dbraw/zinc/49/09/13/1035490913.db2.gz ARVYUMJQUHJZIF-BQYQJAHWSA-N 1 0 373.522 2.806 20 10 FFCDRO COc1cc(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)ccc1OCCO ZINC000835037898 1035491654 /nfs/dbraw/zinc/49/16/54/1035491654.db2.gz YVPGKTOVLICFTK-SNAWJCMRSA-N 1 0 356.466 2.935 20 10 FFCDRO FC1CC[NH+](C2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)CC1 ZINC001232202656 1035498873 /nfs/dbraw/zinc/49/88/73/1035498873.db2.gz DLOGJWACNAOQEZ-UHFFFAOYSA-N 1 0 367.896 2.795 20 10 FFCDRO CC(=O)[C@@H](C)N1CCC2(CC[NH+](Cc3c(C)cc(C)cc3O)CC2)C1=O ZINC001277204020 1035523701 /nfs/dbraw/zinc/52/37/01/1035523701.db2.gz BNRCYUAMPITNMN-MRXNPFEDSA-N 1 0 358.482 2.801 20 10 FFCDRO CCN(C)c1ncnc2c1CC[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232258436 1035528132 /nfs/dbraw/zinc/52/81/32/1035528132.db2.gz YMOQYLAFSQVYAE-UHFFFAOYSA-N 1 0 362.861 2.598 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(OC)cc3O)C2)nc1 ZINC001232271371 1035540961 /nfs/dbraw/zinc/54/09/61/1035540961.db2.gz VATNGLDTORTCHL-LBPRGKRZSA-N 1 0 365.817 2.506 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c2ccccc2n1C ZINC001232402199 1035652412 /nfs/dbraw/zinc/65/24/12/1035652412.db2.gz IWSBJSAFAMSRQE-KRWDZBQOSA-N 1 0 370.371 2.712 20 10 FFCDRO COC(=O)c1c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)c2ccccc2n1C ZINC001232405215 1035654334 /nfs/dbraw/zinc/65/43/34/1035654334.db2.gz IKHMTWCGZPGLTK-KBPBESRZSA-N 1 0 358.438 2.596 20 10 FFCDRO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(C)ccc2O)cs1 ZINC001140620222 1035745641 /nfs/dbraw/zinc/74/56/41/1035745641.db2.gz GPMPZNIATUOKHH-DLBZAZTESA-N 1 0 357.479 2.841 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c1O ZINC001140743935 1036032726 /nfs/dbraw/zinc/03/27/26/1036032726.db2.gz FKZRIHWLPHZNDT-AEFFLSMTSA-N 1 0 370.424 2.636 20 10 FFCDRO Cc1c(O)ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)c1O ZINC001140748104 1036046915 /nfs/dbraw/zinc/04/69/15/1036046915.db2.gz GMBWNNULMMSZIM-HZPDHXFCSA-N 1 0 358.463 2.672 20 10 FFCDRO Cc1nc(CN2CCC3(C[NH+](Cc4ccc(N(C)C)cc4O)C3)C2)cs1 ZINC001232839087 1036092840 /nfs/dbraw/zinc/09/28/40/1036092840.db2.gz XMHHGDKHEZNRJZ-UHFFFAOYSA-N 1 0 372.538 2.931 20 10 FFCDRO CO[C@H](CN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1)c1ccccc1 ZINC001232841033 1036098284 /nfs/dbraw/zinc/09/82/84/1036098284.db2.gz QEPBRBBUOTVNRP-JOCHJYFZSA-N 1 0 369.509 2.964 20 10 FFCDRO COc1cc(OC2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)ccn1 ZINC001232842077 1036098898 /nfs/dbraw/zinc/09/88/98/1036098898.db2.gz ZGAAFROIJBIFKB-UHFFFAOYSA-N 1 0 357.454 2.905 20 10 FFCDRO Cc1csc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001228597019 1036196249 /nfs/dbraw/zinc/19/62/49/1036196249.db2.gz SUAHFKUAFJQIFU-UHFFFAOYSA-N 1 0 358.511 2.808 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001232978992 1036212276 /nfs/dbraw/zinc/21/22/76/1036212276.db2.gz PVBBLOGHNMQINM-CQSZACIVSA-N 1 0 372.250 2.667 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001232978224 1036212410 /nfs/dbraw/zinc/21/24/10/1036212410.db2.gz CUATWUOZHWHHJJ-FZMZJTMJSA-N 1 0 359.207 2.608 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@]2(CC(=O)N(C3CCCC3)C2)C1 ZINC001277317575 1036223491 /nfs/dbraw/zinc/22/34/91/1036223491.db2.gz DAQOUWAWMYBICQ-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1O ZINC001233110387 1036355656 /nfs/dbraw/zinc/35/56/56/1036355656.db2.gz CUEYTCUPBPCAEQ-DOMZBBRYSA-N 1 0 367.287 2.906 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)cc1Br ZINC001233140784 1036388093 /nfs/dbraw/zinc/38/80/93/1036388093.db2.gz TZXGBCPEVSDSFG-BXUZGUMPSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cnco4)C3)C2)cc1 ZINC001140928104 1036471182 /nfs/dbraw/zinc/47/11/82/1036471182.db2.gz JFNIBZINVYJYNY-FQEVSTJZSA-N 1 0 357.454 2.802 20 10 FFCDRO CCOC(=O)c1c(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)c2ccccc2n1C ZINC001233273158 1036479455 /nfs/dbraw/zinc/47/94/55/1036479455.db2.gz QDTLBHZHKRQVLS-INIZCTEOSA-N 1 0 371.481 2.798 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC001233286259 1036492063 /nfs/dbraw/zinc/49/20/63/1036492063.db2.gz MJPOXZGISRWLHO-SFHVURJKSA-N 1 0 360.498 2.903 20 10 FFCDRO CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233332565 1036539059 /nfs/dbraw/zinc/53/90/59/1036539059.db2.gz PFAXXVYFIPEWMC-UHFFFAOYSA-N 1 0 368.405 2.904 20 10 FFCDRO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)cc3O)CC2)C1 ZINC001140948053 1036540123 /nfs/dbraw/zinc/54/01/23/1036540123.db2.gz QSXXYQUCPCDKGK-SFHVURJKSA-N 1 0 360.498 2.940 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)c(O)c1 ZINC001140949434 1036543687 /nfs/dbraw/zinc/54/36/87/1036543687.db2.gz BOZFYRSIIUFJRP-SVFBPWRDSA-N 1 0 372.509 2.986 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c(O)c1 ZINC001140952375 1036557139 /nfs/dbraw/zinc/55/71/39/1036557139.db2.gz PIJLTZVBHVFUBE-IIBYNOLFSA-N 1 0 351.450 2.971 20 10 FFCDRO CCNC(=O)COC1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233455625 1036634561 /nfs/dbraw/zinc/63/45/61/1036634561.db2.gz SDIVIJAGZQBMJK-UHFFFAOYSA-N 1 0 360.376 2.528 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483128 1036650835 /nfs/dbraw/zinc/65/08/35/1036650835.db2.gz ORMBDKPZYBADMA-CYBMUJFWSA-N 1 0 352.431 2.683 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc(O)c(O)cc3O)C2)CC1 ZINC001233483445 1036650935 /nfs/dbraw/zinc/65/09/35/1036650935.db2.gz ZHJYECWASQZPOG-UHFFFAOYSA-N 1 0 364.442 2.636 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486006 1036654088 /nfs/dbraw/zinc/65/40/88/1036654088.db2.gz UAUBDTWIQJFEMS-ZDUSSCGKSA-N 1 0 352.431 2.683 20 10 FFCDRO CC(C)(O)CC[NH+]1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233776818 1036758545 /nfs/dbraw/zinc/75/85/45/1036758545.db2.gz YWESDBUXGLTKET-UHFFFAOYSA-N 1 0 362.392 2.569 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3ccnc(OC)c3)CC2)c(OC)c1 ZINC001141032577 1036779923 /nfs/dbraw/zinc/77/99/23/1036779923.db2.gz HLHHFSPMIHXANA-UHFFFAOYSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCN(CC(C)C)C3=O)cc1OC ZINC001277813520 1036794202 /nfs/dbraw/zinc/79/42/02/1036794202.db2.gz PZAVJFBYUZCHEW-HXUWFJFHSA-N 1 0 362.470 2.632 20 10 FFCDRO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)C1=O ZINC001277813639 1036794353 /nfs/dbraw/zinc/79/43/53/1036794353.db2.gz QPSCOSIHCRFCJF-FQEVSTJZSA-N 1 0 362.470 2.776 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCOC)CC2)c(O)c1 ZINC001277826110 1036880072 /nfs/dbraw/zinc/88/00/72/1036880072.db2.gz JUPIIVICIFKHRK-SFHVURJKSA-N 1 0 360.498 2.709 20 10 FFCDRO CCc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N([C@@H](C)CC)C3)C2)c(O)c1 ZINC001277827071 1036884468 /nfs/dbraw/zinc/88/44/68/1036884468.db2.gz SQAFXNUNTNHDML-HRAATJIYSA-N 1 0 360.498 2.804 20 10 FFCDRO CN(C)C(=O)NC1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078948 1036931206 /nfs/dbraw/zinc/93/12/06/1036931206.db2.gz OOLSSAQQQBMHLP-UHFFFAOYSA-N 1 0 356.514 2.621 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235060709 1037333516 /nfs/dbraw/zinc/33/35/16/1037333516.db2.gz GIFJHZVZRHVNLQ-QFIPXVFZSA-N 1 0 374.573 2.936 20 10 FFCDRO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001277506539 1037534539 /nfs/dbraw/zinc/53/45/39/1037534539.db2.gz IPGNGHSISOROOG-UHNFBRDESA-N 1 0 368.836 2.728 20 10 FFCDRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)CC[C@@H]2C1 ZINC001235678374 1037677816 /nfs/dbraw/zinc/67/78/16/1037677816.db2.gz BWQVJYQMRDXOBD-YLJYHZDGSA-N 1 0 360.498 2.759 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001231591462 1037708086 /nfs/dbraw/zinc/70/80/86/1037708086.db2.gz DEBSJNHJERUAJY-IIBYNOLFSA-N 1 0 351.450 2.971 20 10 FFCDRO Cc1cccc(C[N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1O ZINC001231590697 1037708968 /nfs/dbraw/zinc/70/89/68/1037708968.db2.gz FCHIABCWPFOBFT-MRXNPFEDSA-N 1 0 350.459 2.768 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@H](Oc3ncc(Br)cn3)C2)c1O ZINC001231592250 1037711870 /nfs/dbraw/zinc/71/18/70/1037711870.db2.gz HWINFVUYHYBQKT-AWEZNQCLSA-N 1 0 364.243 2.906 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c1O ZINC001231593082 1037712116 /nfs/dbraw/zinc/71/21/16/1037712116.db2.gz YWRUBILJCJSVFU-MJGOQNOKSA-N 1 0 354.425 2.930 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)c(O)cc1O)C2 ZINC001231634331 1037756256 /nfs/dbraw/zinc/75/62/56/1037756256.db2.gz GLHAKNXCGSJEAB-AUUYWEPGSA-N 1 0 351.443 2.514 20 10 FFCDRO COc1cc(C[NH+]2CCC3(CC2)CC(=O)Nc2ccccc23)c(O)cc1O ZINC001231636956 1037757128 /nfs/dbraw/zinc/75/71/28/1037757128.db2.gz WNIOPQVZSKJYPZ-UHFFFAOYSA-N 1 0 368.433 2.982 20 10 FFCDRO COc1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(O)cc1O ZINC001231641067 1037763993 /nfs/dbraw/zinc/76/39/93/1037763993.db2.gz YRYNASNPZIFDKU-UHFFFAOYSA-N 1 0 374.412 2.640 20 10 FFCDRO C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001536924863 1070087339 /nfs/dbraw/zinc/08/73/39/1070087339.db2.gz MUGUBRQHNSVUBR-INIZCTEOSA-N 1 0 371.456 2.661 20 10 FFCDRO CCOC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2O)cc1OC ZINC001231718449 1037840722 /nfs/dbraw/zinc/84/07/22/1037840722.db2.gz KUPHRXGGLFJQKG-UHFFFAOYSA-N 1 0 359.422 2.975 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CCN(CCNC(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001231841450 1037936711 /nfs/dbraw/zinc/93/67/11/1037936711.db2.gz AZPLZIVALQJGOK-UHFFFAOYSA-N 1 0 363.502 2.651 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)c(O)c1 ZINC001231845123 1037943015 /nfs/dbraw/zinc/94/30/15/1037943015.db2.gz WESNWXPHMXGCDX-QGZVFWFLSA-N 1 0 351.454 2.734 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)cc1Cl ZINC001231869853 1037965322 /nfs/dbraw/zinc/96/53/22/1037965322.db2.gz XQZNTMUBBHSWNE-NXHRZFHOSA-N 1 0 364.873 2.612 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC001231912796 1038005430 /nfs/dbraw/zinc/00/54/30/1038005430.db2.gz ZYGNYBFFZGBWOZ-ZIAGYGMSSA-N 1 0 356.850 2.506 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236749056 1038232786 /nfs/dbraw/zinc/23/27/86/1038232786.db2.gz XXIZJNNJBUAOMV-GHMZBOCLSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1cc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(O)cc1Br ZINC001236749354 1038233834 /nfs/dbraw/zinc/23/38/34/1038233834.db2.gz AYKXORSRRRPIJW-CYBMUJFWSA-N 1 0 371.275 2.606 20 10 FFCDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C2 ZINC001236751311 1038237670 /nfs/dbraw/zinc/23/76/70/1038237670.db2.gz MBXPHYLDLYQEAI-HNAYVOBHSA-N 1 0 351.443 2.569 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)CC(C)C)CC2)cc1OC ZINC001236756073 1038242448 /nfs/dbraw/zinc/24/24/48/1038242448.db2.gz HVGGTALLIJDGBJ-UHFFFAOYSA-N 1 0 350.459 2.536 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1OC ZINC001236757846 1038244977 /nfs/dbraw/zinc/24/49/77/1038244977.db2.gz QBMZROQQYVZOTI-CYBMUJFWSA-N 1 0 351.443 2.963 20 10 FFCDRO O=C1CN(Cc2cc(OCc3ccccc3)ccc2O)C[C@H]2CCCN12 ZINC001236784276 1038265118 /nfs/dbraw/zinc/26/51/18/1038265118.db2.gz BDUZRIPRRCSLTE-GOSISDBHSA-N 1 0 352.434 2.778 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)c(O)c1 ZINC001236786162 1038265641 /nfs/dbraw/zinc/26/56/41/1038265641.db2.gz CWTQZYRJTUNKFY-LJQANCHMSA-N 1 0 365.477 2.988 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)c(O)c1 ZINC001236791030 1038270590 /nfs/dbraw/zinc/27/05/90/1038270590.db2.gz ZDVVZXKPRWNAON-KDURUIRLSA-N 1 0 351.450 2.554 20 10 FFCDRO Oc1cc(Cl)c(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001236798003 1038276784 /nfs/dbraw/zinc/27/67/84/1038276784.db2.gz FHLUCBFCQVGNFN-UHFFFAOYSA-N 1 0 358.313 2.912 20 10 FFCDRO COc1cc(C)c(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001236809457 1038283460 /nfs/dbraw/zinc/28/34/60/1038283460.db2.gz RYWNZWCEEIULCT-QZTJIDSGSA-N 1 0 353.466 2.668 20 10 FFCDRO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cc3ccccc3cc1O)CC2 ZINC001236833207 1038296155 /nfs/dbraw/zinc/29/61/55/1038296155.db2.gz PVDSXGGVHNKGEV-UHFFFAOYSA-N 1 0 365.433 2.977 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236921302 1038355994 /nfs/dbraw/zinc/35/59/94/1038355994.db2.gz CNYHMZOUVDUQOM-ZBFHGGJFSA-N 1 0 366.889 2.808 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCc3ncnc(OC(C)C)c3CC2)c(O)c1 ZINC001237042715 1038418358 /nfs/dbraw/zinc/41/83/58/1038418358.db2.gz KKSPUPCMHYIHCA-UHFFFAOYSA-N 1 0 357.454 2.969 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c(O)c1 ZINC001237043070 1038419653 /nfs/dbraw/zinc/41/96/53/1038419653.db2.gz NHBUVMJCHZTINS-UHFFFAOYSA-N 1 0 368.481 2.782 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC(Oc3nccc(OC)n3)CC2)c(O)c1 ZINC001237046846 1038421657 /nfs/dbraw/zinc/42/16/57/1038421657.db2.gz HAWSMMJYLQWIRT-UHFFFAOYSA-N 1 0 359.426 2.633 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001237045829 1038422298 /nfs/dbraw/zinc/42/22/98/1038422298.db2.gz VQGHLSVJCUNVMU-OSYLJGHBSA-N 1 0 362.470 2.993 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCc3ncnc(N(C)CC)c3CC2)c(O)c1 ZINC001237044483 1038422524 /nfs/dbraw/zinc/42/25/24/1038422524.db2.gz YQGREJONAGUFRB-UHFFFAOYSA-N 1 0 356.470 2.638 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)c(O)c1 ZINC001237052690 1038425646 /nfs/dbraw/zinc/42/56/46/1038425646.db2.gz YNGYAFZHJGWOFE-QWFCFKBJSA-N 1 0 360.498 2.831 20 10 FFCDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1ccc(-n3c(C)ccc3C)cc1)CC2 ZINC001237066048 1038431858 /nfs/dbraw/zinc/43/18/58/1038431858.db2.gz WVOIHUPJQAMYMD-UNMCSNQZSA-N 1 0 367.493 2.821 20 10 FFCDRO COc1cc(O)c(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(Br)c1 ZINC001237069739 1038432499 /nfs/dbraw/zinc/43/24/99/1038432499.db2.gz HWZKAXFCBYYNMJ-LBPRGKRZSA-N 1 0 355.276 2.832 20 10 FFCDRO COc1cc(O)c(CN2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(Br)c1 ZINC001237067513 1038433307 /nfs/dbraw/zinc/43/33/07/1038433307.db2.gz JNRBITSXUFKVCE-IAQYHMDHSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC001237072161 1038434999 /nfs/dbraw/zinc/43/49/99/1038434999.db2.gz DIHCZDAQZAHCGU-GFCCVEGCSA-N 1 0 355.276 2.833 20 10 FFCDRO COC[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001256237408 1038446014 /nfs/dbraw/zinc/44/60/14/1038446014.db2.gz ZVULPLAJWJMNDZ-MOPGFXCFSA-N 1 0 362.518 2.566 20 10 FFCDRO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CN1C(=O)OC(C)(C)C ZINC001256256367 1038456430 /nfs/dbraw/zinc/45/64/30/1038456430.db2.gz NDCOGXHQIYWVON-GZBFAFLISA-N 1 0 364.442 2.594 20 10 FFCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001237172492 1038462989 /nfs/dbraw/zinc/46/29/89/1038462989.db2.gz GJVBMRADHQDYJQ-RDJZCZTQSA-N 1 0 365.271 2.727 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)cc1 ZINC001209516774 1038948003 /nfs/dbraw/zinc/94/80/03/1038948003.db2.gz NZKSVECHPHXNEK-NJYVYQBISA-N 1 0 367.493 2.914 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cnc1OC ZINC001209616826 1039060049 /nfs/dbraw/zinc/06/00/49/1039060049.db2.gz RYUCYQWPPUIPPQ-UHFFFAOYSA-N 1 0 357.454 2.567 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[NH2+]CCc2ccc(N)cc2)cc1 ZINC001246015945 1039190949 /nfs/dbraw/zinc/19/09/49/1039190949.db2.gz CPLVQADJKBBFBJ-FQEVSTJZSA-N 1 0 370.493 2.916 20 10 FFCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)COCC(F)(F)C(F)F ZINC001251589368 1039193725 /nfs/dbraw/zinc/19/37/25/1039193725.db2.gz SSCMNWHMPQUBSM-OAHLLOKOSA-N 1 0 366.399 2.852 20 10 FFCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246534811 1039386012 /nfs/dbraw/zinc/38/60/12/1039386012.db2.gz YZWNOSJILKHPDQ-ALKREAHSSA-N 1 0 360.498 2.906 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC001252069155 1039423174 /nfs/dbraw/zinc/42/31/74/1039423174.db2.gz MPBPAACETFTPBP-IBGZPJMESA-N 1 0 372.513 2.544 20 10 FFCDRO C[C@H]1CC[C@H](N2CCN(c3ccc(OCc4cccnc4)cc3)CC2)C[NH2+]1 ZINC001246999870 1039570564 /nfs/dbraw/zinc/57/05/64/1039570564.db2.gz KIGSINFOTDYNRI-RXVVDRJESA-N 1 0 366.509 2.923 20 10 FFCDRO CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)c(O)cc1O ZINC001276704820 1040866594 /nfs/dbraw/zinc/86/65/94/1040866594.db2.gz HNVMYAJYBRUSPU-FQEVSTJZSA-N 1 0 362.470 2.864 20 10 FFCDRO CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001276705309 1040917337 /nfs/dbraw/zinc/91/73/37/1040917337.db2.gz OOUSRBVWXSPLBL-HNNXBMFYSA-N 1 0 362.470 2.625 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001249726784 1040964543 /nfs/dbraw/zinc/96/45/43/1040964543.db2.gz UYBPBMQWLUJNCU-HUUCEWRRSA-N 1 0 351.443 2.724 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(O)c1 ZINC001249735800 1040968045 /nfs/dbraw/zinc/96/80/45/1040968045.db2.gz WHSSLUREQAZMJN-SFHVURJKSA-N 1 0 365.470 2.850 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)c1 ZINC001249735520 1040968669 /nfs/dbraw/zinc/96/86/69/1040968669.db2.gz OPUNEVDLBQQRTD-LSBZLQRGSA-N 1 0 363.454 2.581 20 10 FFCDRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]CCc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001254889317 1041032447 /nfs/dbraw/zinc/03/24/47/1041032447.db2.gz MRICIRPCXPOSRV-ZSHCYNCHSA-N 1 0 362.470 2.875 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@]23CCN(CC=C(C)C)C3=O)c(O)cc1O ZINC001276706246 1041034192 /nfs/dbraw/zinc/03/41/92/1041034192.db2.gz ZWDGIUPWAXHAGI-HXUWFJFHSA-N 1 0 360.454 2.640 20 10 FFCDRO O=C(NCC(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC001278552416 1041118727 /nfs/dbraw/zinc/11/87/27/1041118727.db2.gz TWVXIFVZTZRFHK-QGZVFWFLSA-N 1 0 371.403 2.952 20 10 FFCDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001261276822 1041126660 /nfs/dbraw/zinc/12/66/60/1041126660.db2.gz UEZPBZICLDCMCR-SFHVURJKSA-N 1 0 354.450 2.625 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)NC(C)C)C3)C2)c1O ZINC001278562471 1041179468 /nfs/dbraw/zinc/17/94/68/1041179468.db2.gz GGFYVMVWFCNBHY-FQEVSTJZSA-N 1 0 361.486 2.807 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2)c1 ZINC001278572025 1041219760 /nfs/dbraw/zinc/21/97/60/1041219760.db2.gz ZTQBHTPJGKLXJX-HXUWFJFHSA-N 1 0 361.486 2.807 20 10 FFCDRO COc1cccc([C@@H](O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001250710589 1041318779 /nfs/dbraw/zinc/31/87/79/1041318779.db2.gz WCHRZGATAOUERK-NRFANRHFSA-N 1 0 356.466 2.697 20 10 FFCDRO Cn1ccc([C@H]2CCC[N@H+](Cc3ccc(N4CCN(C)CC4)c(F)c3)C2)n1 ZINC001262375292 1041664981 /nfs/dbraw/zinc/66/49/81/1041664981.db2.gz FIGDNCFILLXDGK-SFHVURJKSA-N 1 0 371.504 2.691 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4cccc(O)c4O)n3)c2)CC1 ZINC001215145917 1041679119 /nfs/dbraw/zinc/67/91/19/1041679119.db2.gz QZSLWWGMCNRAIX-UHFFFAOYSA-N 1 0 366.421 2.562 20 10 FFCDRO C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(O)c(O)c4)n3)cc2)CC1 ZINC001215304231 1041730841 /nfs/dbraw/zinc/73/08/41/1041730841.db2.gz HOKQHZJDKCUXAR-UHFFFAOYSA-N 1 0 352.394 2.567 20 10 FFCDRO COc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)n1 ZINC001215885577 1041903151 /nfs/dbraw/zinc/90/31/51/1041903151.db2.gz GPOLINMKCTZHBT-GOSISDBHSA-N 1 0 371.485 2.889 20 10 FFCDRO COCCOCN1CCC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001279197716 1042942627 /nfs/dbraw/zinc/94/26/27/1042942627.db2.gz YAUVWDYLZVCJIH-HXUWFJFHSA-N 1 0 366.477 2.830 20 10 FFCDRO CC1=CCC=C[C@@H]1C(=O)N1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001279220410 1042949611 /nfs/dbraw/zinc/94/96/11/1042949611.db2.gz FMGUMPOBQLWCKI-SFHVURJKSA-N 1 0 354.450 2.655 20 10 FFCDRO COC1(CC(=O)N2CCC23C[NH+](Cc2c(C)ccc(C)c2O)C3)CCC1 ZINC001279233307 1042957317 /nfs/dbraw/zinc/95/73/17/1042957317.db2.gz ODSCMHHWUFZGJT-UHFFFAOYSA-N 1 0 358.482 2.755 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCN(Cc2cccc(=O)[nH]2)C3)c1O ZINC001279234678 1042958362 /nfs/dbraw/zinc/95/83/62/1042958362.db2.gz GZRQONWXYAOYGH-UHFFFAOYSA-N 1 0 353.466 2.818 20 10 FFCDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC001237208506 1043053357 /nfs/dbraw/zinc/05/33/57/1043053357.db2.gz BYLCUCGPFSYQNZ-UHFFFAOYSA-N 1 0 372.534 2.904 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH+]3CCC4(CC(F)C4)CC3)cc2)CC1 ZINC001237207049 1043054155 /nfs/dbraw/zinc/05/41/55/1043054155.db2.gz OXSCVANPPYGFPM-UHFFFAOYSA-N 1 0 366.502 2.636 20 10 FFCDRO C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001279441400 1043115871 /nfs/dbraw/zinc/11/58/71/1043115871.db2.gz BABPSRZBOSZGCU-LJQANCHMSA-N 1 0 351.922 2.895 20 10 FFCDRO Cc1cccc(O)c1C[N@H+](C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001237484337 1043197090 /nfs/dbraw/zinc/19/70/90/1043197090.db2.gz CEAVTXOAVNHXEU-HNNXBMFYSA-N 1 0 350.459 2.768 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001237495572 1043206705 /nfs/dbraw/zinc/20/67/05/1043206705.db2.gz SJLNYQBIAPKRDC-FQEVSTJZSA-N 1 0 362.470 2.912 20 10 FFCDRO O=C(c1ccc(O)c(O)c1Cl)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001279522335 1043221433 /nfs/dbraw/zinc/22/14/33/1043221433.db2.gz YJUNGBMBWJJOLU-BETUJISGSA-N 1 0 361.829 2.568 20 10 FFCDRO COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(C)n(C)c2ccccc21 ZINC001279541691 1043237422 /nfs/dbraw/zinc/23/74/22/1043237422.db2.gz QZQZLUXCNCWPPD-SFTDATJTSA-N 1 0 357.498 2.756 20 10 FFCDRO CN1CCCc2cc(CN3C[C@@H]4C[N@H+](C5CCCC5)C[C@H](C3)O4)ccc21 ZINC001279551315 1043245341 /nfs/dbraw/zinc/24/53/41/1043245341.db2.gz MUIIPQWUMMJWDE-OYRHEFFESA-N 1 0 355.526 2.897 20 10 FFCDRO CN1CCCc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)N4Cc3cn[nH]c3)ccc21 ZINC001279551355 1043245839 /nfs/dbraw/zinc/24/58/39/1043245839.db2.gz NHBZQUNFLCKCBN-BGYRXZFFSA-N 1 0 351.498 2.641 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4[C@@H]3CCN4Cc3cn[nH]c3)ccc21 ZINC001279551681 1043248003 /nfs/dbraw/zinc/24/80/03/1043248003.db2.gz RFHCZIMJJVMHQO-SFTDATJTSA-N 1 0 351.498 2.641 20 10 FFCDRO CCOC(=O)CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001237641325 1043288826 /nfs/dbraw/zinc/28/88/26/1043288826.db2.gz ROGKEUFYRIOWJW-UHFFFAOYSA-N 1 0 372.440 2.879 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3cccc(OC)n3)CC2)c(O)c(OC)c1 ZINC001237684833 1043310750 /nfs/dbraw/zinc/31/07/50/1043310750.db2.gz SEUCMHRANRUQMW-UHFFFAOYSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cccc(C(=O)N2CCN(Cc3cc(F)cc(C)c3O)CC2)c1 ZINC001238064318 1043511131 /nfs/dbraw/zinc/51/11/31/1043511131.db2.gz AXAUHTUDXDLXCO-UHFFFAOYSA-N 1 0 358.413 2.806 20 10 FFCDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(F)cc(C)c3O)CC2)C1 ZINC001238068774 1043515583 /nfs/dbraw/zinc/51/55/83/1043515583.db2.gz WFFBCWDKUHKEMI-HNNXBMFYSA-N 1 0 364.461 2.689 20 10 FFCDRO O=C([C@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2)N1CCCCO1 ZINC001279858791 1043783596 /nfs/dbraw/zinc/78/35/96/1043783596.db2.gz AGSMZFUGFPDJHW-LJQANCHMSA-N 1 0 355.482 2.663 20 10 FFCDRO O=C(Nc1ccc2nsnc2c1)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001279968947 1044003294 /nfs/dbraw/zinc/00/32/94/1044003294.db2.gz RNLBYWVXSNHUFY-AWEZNQCLSA-N 1 0 366.446 2.858 20 10 FFCDRO O=C(NCc1c(F)cccc1F)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001279968536 1044003319 /nfs/dbraw/zinc/00/33/19/1044003319.db2.gz LUNRDVXMHJAYPA-VBKZILBWSA-N 1 0 358.388 2.951 20 10 FFCDRO COc1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)c(O)c1 ZINC001279979376 1044024784 /nfs/dbraw/zinc/02/47/84/1044024784.db2.gz BSABZDVVFOQIFD-HNNXBMFYSA-N 1 0 364.511 2.623 20 10 FFCDRO O=C(NCC(F)F)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001279982282 1044030448 /nfs/dbraw/zinc/03/04/48/1044030448.db2.gz PSIFEHJXPYLVBU-CULMDFNYSA-N 1 0 358.816 2.885 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC=CC3)C2)c1 ZINC001279986736 1044042751 /nfs/dbraw/zinc/04/27/51/1044042751.db2.gz XHHUTIBWONZMOF-WIYYLYMNSA-N 1 0 356.466 2.791 20 10 FFCDRO O=C([C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2)N1CCCC12CC2 ZINC001280082360 1044183824 /nfs/dbraw/zinc/18/38/24/1044183824.db2.gz BBMGTUKLKHKHNH-KRWDZBQOSA-N 1 0 356.466 2.855 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)N3CCC(C)(C)[NH2+]C(C)(C)C3)C2)cc1 ZINC001312995670 1044206545 /nfs/dbraw/zinc/20/65/45/1044206545.db2.gz YUZRNYIBLUSIQS-MRXNPFEDSA-N 1 0 374.529 2.836 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)SCC[C@H]3C(=O)Nc2cn[nH]c2)c1O ZINC001280345818 1044633673 /nfs/dbraw/zinc/63/36/73/1044633673.db2.gz FEOSHOAERMFPMP-INIZCTEOSA-N 1 0 372.494 2.678 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@@H](CO)CC3CCCC3)cc2F)CC1 ZINC001321150005 1045562813 /nfs/dbraw/zinc/56/28/13/1045562813.db2.gz RBOVPWRLIATZJT-IBGZPJMESA-N 1 0 363.521 2.856 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1O ZINC001323472901 1045604277 /nfs/dbraw/zinc/60/42/77/1045604277.db2.gz QZRDBHYUYGUOAW-UHFFFAOYSA-N 1 0 368.231 2.566 20 10 FFCDRO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001321777603 1045798040 /nfs/dbraw/zinc/79/80/40/1045798040.db2.gz DJVNXSBZZMJLGO-UHFFFAOYSA-N 1 0 371.504 2.989 20 10 FFCDRO C[NH+](C)C1(CNC(=O)N2Cc3cccc(O)c3C2)Cc2ccccc2C1 ZINC001331344653 1047878490 /nfs/dbraw/zinc/87/84/90/1047878490.db2.gz RCZKBZBERRYCCV-UHFFFAOYSA-N 1 0 351.450 2.517 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001328659167 1048407206 /nfs/dbraw/zinc/40/72/06/1048407206.db2.gz FHIGYNUHYDCGTD-AWEZNQCLSA-N 1 0 350.484 2.778 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@@H]34)cc2F)CC1 ZINC001329113373 1048582176 /nfs/dbraw/zinc/58/21/76/1048582176.db2.gz JPZVYMRKBCITCX-FPOVZHCZSA-N 1 0 360.521 2.684 20 10 FFCDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000738441017 1048683969 /nfs/dbraw/zinc/68/39/69/1048683969.db2.gz YLVMDAAZXXFNLG-CVEARBPZSA-N 1 0 360.458 2.719 20 10 FFCDRO COc1cc(O)c(CN2CC[NH+](CCCOC(C)(C)C)CC2)cc1OC ZINC001333316848 1048833038 /nfs/dbraw/zinc/83/30/38/1048833038.db2.gz QLUPMQZTNZBBBX-UHFFFAOYSA-N 1 0 366.502 2.732 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)CC2CCCCC2)c(O)c1OC ZINC001333680063 1049050510 /nfs/dbraw/zinc/05/05/10/1049050510.db2.gz MCGFXVQZIFJMEB-UHFFFAOYSA-N 1 0 350.459 2.586 20 10 FFCDRO O=S1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC001333684043 1049055116 /nfs/dbraw/zinc/05/51/16/1049055116.db2.gz IPMAGWRCUSJRLU-YOQVNWAOSA-N 1 0 358.454 2.758 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)NCCCSc3nccs3)C[C@@H]2C1 ZINC001333753370 1049103148 /nfs/dbraw/zinc/10/31/48/1049103148.db2.gz IYOHQBQHOZDJSM-QLFBSQMISA-N 1 0 368.572 2.997 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001292594162 1049366316 /nfs/dbraw/zinc/36/63/16/1049366316.db2.gz PRJZJSLBJVDGTC-APWZRJJASA-N 1 0 359.514 2.901 20 10 FFCDRO CCc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001293095973 1049483419 /nfs/dbraw/zinc/48/34/19/1049483419.db2.gz UKHNIRWQOXWJHE-UHFFFAOYSA-N 1 0 374.508 2.624 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc4n3CC[NH2+][C@H]4C)CC2)cc1 ZINC001341569420 1050196562 /nfs/dbraw/zinc/19/65/62/1050196562.db2.gz OEIJUZDZTGEIHT-INIZCTEOSA-N 1 0 368.481 2.513 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccn(C)n2)NC(=O)OC(C)(C)C)cc1 ZINC001308352824 1052449955 /nfs/dbraw/zinc/44/99/55/1052449955.db2.gz IWGSTTOZKQFFHJ-SFHVURJKSA-N 1 0 373.501 2.842 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC001308453535 1052457093 /nfs/dbraw/zinc/45/70/93/1052457093.db2.gz RKWQEXYACHPDQC-UHFFFAOYSA-N 1 0 372.226 2.692 20 10 FFCDRO CN1CCN(c2ccc(C[N@H+](C)C[C@H](O)Cc3ccccc3)cc2F)CC1 ZINC001343972844 1052521251 /nfs/dbraw/zinc/52/12/51/1052521251.db2.gz MXFPZDYCQJVMPH-HXUWFJFHSA-N 1 0 371.500 2.613 20 10 FFCDRO C[NH+](C)CC[C@H](NC(=O)NCc1cccc(Cl)c1O)c1cccnc1 ZINC001335117515 1053222195 /nfs/dbraw/zinc/22/21/95/1053222195.db2.gz VNLVIECBBXHUFH-INIZCTEOSA-N 1 0 362.861 2.933 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001335441171 1053364688 /nfs/dbraw/zinc/36/46/88/1053364688.db2.gz MOWHPQQBHUFENJ-AEFFLSMTSA-N 1 0 350.528 2.836 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001336081903 1053756203 /nfs/dbraw/zinc/75/62/03/1053756203.db2.gz GWSHWAFMWUNELZ-GLQYFDAESA-N 1 0 358.408 2.735 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(C(=O)Cc3cccc(OC)c3)CC2)c1O ZINC000848882813 1055296735 /nfs/dbraw/zinc/29/67/35/1055296735.db2.gz CACNUDSWYGLVGK-UHFFFAOYSA-N 1 0 368.477 2.850 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001338450357 1055526303 /nfs/dbraw/zinc/52/63/03/1055526303.db2.gz WBUSQBICVQOWMP-FQEVSTJZSA-N 1 0 374.554 2.667 20 10 FFCDRO Cn1c(C2SC=CC2=O)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001338751830 1055784861 /nfs/dbraw/zinc/78/48/61/1055784861.db2.gz UUYBVKPDUOTHMY-OAHLLOKOSA-N 1 0 369.494 2.960 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC001357338658 1055870613 /nfs/dbraw/zinc/87/06/13/1055870613.db2.gz UQBJGUOCPLGKBK-HMXCVIKNSA-N 1 0 371.525 2.650 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001357668516 1055978793 /nfs/dbraw/zinc/97/87/93/1055978793.db2.gz OBTWWZBSZRYCTQ-OXJNMPFZSA-N 1 0 352.482 2.979 20 10 FFCDRO C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000847532412 1056001740 /nfs/dbraw/zinc/00/17/40/1056001740.db2.gz OKQCBPTUBGTLII-LSDHHAIUSA-N 1 0 367.440 2.715 20 10 FFCDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001353278598 1056255553 /nfs/dbraw/zinc/25/55/53/1056255553.db2.gz TUMUWEYTWMOUFL-XLIONFOSSA-N 1 0 374.554 2.653 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1ncoc1C1CC[NH2+]CC1 ZINC001353494971 1056455887 /nfs/dbraw/zinc/45/58/87/1056455887.db2.gz LDKXMPXIJQHJJV-UHFFFAOYSA-N 1 0 354.454 2.672 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(C)CCCC3)CC2)cc1 ZINC000849193792 1056794616 /nfs/dbraw/zinc/79/46/16/1056794616.db2.gz GCFFQJWRSXDOEG-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001354870941 1059586839 /nfs/dbraw/zinc/58/68/39/1059586839.db2.gz DEGLGVQAIUUIRX-QGZVFWFLSA-N 1 0 351.410 2.861 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)N(C)C)[NH+](C)C)cc1 ZINC001456927124 1060229735 /nfs/dbraw/zinc/22/97/35/1060229735.db2.gz ALHWDBKMCTZFMN-LEWJYISDSA-N 1 0 368.525 2.774 20 10 FFCDRO Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001510672417 1060259279 /nfs/dbraw/zinc/25/92/79/1060259279.db2.gz IMFQDDRIXWBDAR-UHFFFAOYSA-N 1 0 368.529 2.541 20 10 FFCDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)c2c1c(C)n[nH]c2=O ZINC001460637007 1061044097 /nfs/dbraw/zinc/04/40/97/1061044097.db2.gz LSJQVHSPPYZNQI-SECBINFHSA-N 1 0 356.382 2.540 20 10 FFCDRO CC[C@H](CO)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC001460661275 1061051571 /nfs/dbraw/zinc/05/15/71/1061051571.db2.gz UNTXDJPLKGKWNK-HXUWFJFHSA-N 1 0 369.509 2.642 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001461341282 1061295069 /nfs/dbraw/zinc/29/50/69/1061295069.db2.gz ZWCGYWAHIRNMKT-HXUWFJFHSA-N 1 0 365.493 2.802 20 10 FFCDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001461558746 1061350414 /nfs/dbraw/zinc/35/04/14/1061350414.db2.gz KEBQOQYPZWFQHN-QGZVFWFLSA-N 1 0 362.470 2.737 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1Cn1cccn1 ZINC001461609760 1061361374 /nfs/dbraw/zinc/36/13/74/1061361374.db2.gz SWBWGAVDLRKSHP-KURKYZTESA-N 1 0 372.513 2.527 20 10 FFCDRO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1O)C1CC1 ZINC001462475864 1061638854 /nfs/dbraw/zinc/63/88/54/1061638854.db2.gz BDGOETJGPKLGRM-HUUCEWRRSA-N 1 0 358.891 2.528 20 10 FFCDRO COc1cc(C)c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c(O)c1 ZINC001462511930 1061654231 /nfs/dbraw/zinc/65/42/31/1061654231.db2.gz MECVNFWYTKRZNO-UHFFFAOYSA-N 1 0 355.438 2.524 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2csc(Cl)n2)[NH+](C)C)cc1 ZINC001439961824 1063241512 /nfs/dbraw/zinc/24/15/12/1063241512.db2.gz SSNBOKIYOANNRD-CQSZACIVSA-N 1 0 352.891 2.895 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2ncc3ccccc32)[NH+](C)C)cc1 ZINC001439959998 1063242106 /nfs/dbraw/zinc/24/21/06/1063242106.db2.gz JDDUDPOHDSMQTQ-HXUWFJFHSA-N 1 0 365.481 2.521 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC001441050803 1063391948 /nfs/dbraw/zinc/39/19/48/1063391948.db2.gz RREBPNKWSFGLOD-UHFFFAOYSA-N 1 0 351.410 2.637 20 10 FFCDRO CC[C@@H]1C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001467985797 1063899504 /nfs/dbraw/zinc/89/95/04/1063899504.db2.gz FROMZVCDLXCJKF-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCc4ccc(F)cc43)cc2)CC1 ZINC001471192043 1064596788 /nfs/dbraw/zinc/59/67/88/1064596788.db2.gz VDAIMTCBKHDIBJ-UHFFFAOYSA-N 1 0 368.456 2.850 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(C)c3)CC2)c(OC)c1 ZINC001473732528 1065338417 /nfs/dbraw/zinc/33/84/17/1065338417.db2.gz LFDWHJYFGPGUFJ-HXUWFJFHSA-N 1 0 356.466 2.868 20 10 FFCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCCC[C@H]1C ZINC001473933211 1065421467 /nfs/dbraw/zinc/42/14/67/1065421467.db2.gz JEMYGAAUVUSLRX-MSOLQXFVSA-N 1 0 362.537 2.930 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnc(N(C)C)nc3)cc2F)C[C@@H](C)O1 ZINC001473940530 1065423655 /nfs/dbraw/zinc/42/36/55/1065423655.db2.gz HJQHKNQTRMXCIA-HUUCEWRRSA-N 1 0 373.476 2.585 20 10 FFCDRO CN1CCOc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc21 ZINC001474061690 1065448925 /nfs/dbraw/zinc/44/89/25/1065448925.db2.gz RAWMOGPMKISFAG-UHFFFAOYSA-N 1 0 352.482 2.879 20 10 FFCDRO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1O)N1CCOCC1 ZINC001474421350 1065517362 /nfs/dbraw/zinc/51/73/62/1065517362.db2.gz IXRPOCUUQYYIDA-GOSISDBHSA-N 1 0 374.868 2.605 20 10 FFCDRO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474660866 1065572160 /nfs/dbraw/zinc/57/21/60/1065572160.db2.gz VVMCUUAPNCESPT-CQSZACIVSA-N 1 0 356.850 2.771 20 10 FFCDRO Cc1cc(C(=O)NCCN(C)CCC[NH+](C)C)c(C)n1-c1ccc(F)cc1 ZINC001584194866 1079320560 /nfs/dbraw/zinc/32/05/60/1079320560.db2.gz FWTZTDRDCIGBAE-UHFFFAOYSA-N 1 0 374.504 2.847 20 10 FFCDRO C[C@@H]1[C@H](C)N(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[N@H+]1C ZINC001562966261 1074801797 /nfs/dbraw/zinc/80/17/97/1074801797.db2.gz RQYLKAFZUCWVNC-CABCVRRESA-N 1 0 364.453 2.953 20 10 FFCDRO Cc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC001557887418 1075906324 /nfs/dbraw/zinc/90/63/24/1075906324.db2.gz HZXCOQWIXGPGDR-UHFFFAOYSA-N 1 0 368.525 2.512 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001563516433 1076562336 /nfs/dbraw/zinc/56/23/36/1076562336.db2.gz OZPOEIKKLCQFMS-SFHVURJKSA-N 1 0 362.543 2.523 20 10 FFCDRO CCOCC(C)(C)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001564871954 1076666077 /nfs/dbraw/zinc/66/60/77/1076666077.db2.gz NHHHNFHVTOABPU-GOSISDBHSA-N 1 0 364.534 2.717 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC001566562339 1076968278 /nfs/dbraw/zinc/96/82/78/1076968278.db2.gz GXEQBYYHKDTMIW-KURKYZTESA-N 1 0 359.514 2.995 20 10 FFCDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001568904096 1077117635 /nfs/dbraw/zinc/11/76/35/1077117635.db2.gz IPXYCHLRKGUOIH-KRWDZBQOSA-N 1 0 369.425 2.890 20 10 FFCDRO CO[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001586060130 1079538268 /nfs/dbraw/zinc/53/82/68/1079538268.db2.gz DFGFZELOGROPPS-WOJBJXKFSA-N 1 0 373.472 2.998 20 10 FFCDRO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000371327188 512332483 /nfs/dbraw/zinc/33/24/83/512332483.db2.gz MHEYRHLHQNYCEJ-UHFFFAOYSA-N 1 0 352.482 2.812 20 10 FFCDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000089629720 507852149 /nfs/dbraw/zinc/85/21/49/507852149.db2.gz PEVNQQZLTJMTSO-AWEZNQCLSA-N 1 0 372.506 2.526 20 10 FFCDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090185787 507914744 /nfs/dbraw/zinc/91/47/44/507914744.db2.gz ZIFVUIBJLLMBOT-HNNXBMFYSA-N 1 0 363.477 2.619 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000108789686 507918572 /nfs/dbraw/zinc/91/85/72/507918572.db2.gz KNUFSKSRZHQNPA-JRMCHAMMSA-N 1 0 371.525 2.773 20 10 FFCDRO O=C(CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)N1CCCC1 ZINC000092056159 508038623 /nfs/dbraw/zinc/03/86/23/508038623.db2.gz QHWOSNOORNGQDB-UHFFFAOYSA-N 1 0 371.525 2.748 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000111511147 508105461 /nfs/dbraw/zinc/10/54/61/508105461.db2.gz HTZUDAQEBOTAFM-HXUWFJFHSA-N 1 0 374.529 2.539 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000152863991 508525381 /nfs/dbraw/zinc/52/53/81/508525381.db2.gz FPZCSFLXDHEONW-GHTZIAJQSA-N 1 0 370.493 2.922 20 10 FFCDRO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000153039823 508541797 /nfs/dbraw/zinc/54/17/97/508541797.db2.gz QARZRQQWCVZEBP-AWEZNQCLSA-N 1 0 365.449 2.544 20 10 FFCDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000153114826 508549345 /nfs/dbraw/zinc/54/93/45/508549345.db2.gz XCJXMTOLOXBESN-HNNXBMFYSA-N 1 0 363.477 2.749 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000158062196 508652084 /nfs/dbraw/zinc/65/20/84/508652084.db2.gz YQDYKDGZCKUNCA-CJNGLKHVSA-N 1 0 352.862 2.553 20 10 FFCDRO O=C(NCc1ccccc1O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264164516 509359210 /nfs/dbraw/zinc/35/92/10/509359210.db2.gz LFDAIIQQCLKWCZ-GOSISDBHSA-N 1 0 353.466 2.756 20 10 FFCDRO COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000182888397 509478179 /nfs/dbraw/zinc/47/81/79/509478179.db2.gz OSPAEJVIAXKNMY-HOCLYGCPSA-N 1 0 361.486 2.853 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc2ccccc2c1O ZINC000186054515 509501666 /nfs/dbraw/zinc/50/16/66/509501666.db2.gz SLZFGFTWZJLSAE-ACJLOTCBSA-N 1 0 350.422 2.735 20 10 FFCDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3ccccc3c1O)CC2 ZINC000186102965 509523751 /nfs/dbraw/zinc/52/37/51/509523751.db2.gz SXOUREHBSBWIKH-DZGCQCFKSA-N 1 0 352.438 2.949 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OC ZINC000179623678 509541231 /nfs/dbraw/zinc/54/12/31/509541231.db2.gz HHRHQMWFBLHKQB-AWEZNQCLSA-N 1 0 368.437 2.832 20 10 FFCDRO Cc1cccc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1O ZINC000179636355 509548656 /nfs/dbraw/zinc/54/86/56/509548656.db2.gz IZTXALUGDANVPV-UHFFFAOYSA-N 1 0 363.465 2.544 20 10 FFCDRO CNC(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000264600552 509618080 /nfs/dbraw/zinc/61/80/80/509618080.db2.gz JRZIGSKFOFJSJH-LJQANCHMSA-N 1 0 354.450 2.933 20 10 FFCDRO C[NH+](C)CCC1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264925032 509777738 /nfs/dbraw/zinc/77/77/38/509777738.db2.gz QUDYFOVMSJOHMK-VMPITWQZSA-N 1 0 371.525 2.727 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000183467766 509808921 /nfs/dbraw/zinc/80/89/21/509808921.db2.gz AOCLHPVBORNYLP-QAPCUYQASA-N 1 0 354.450 2.810 20 10 FFCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000183467784 509809098 /nfs/dbraw/zinc/80/90/98/509809098.db2.gz AOCLHPVBORNYLP-MAUKXSAKSA-N 1 0 354.450 2.810 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)cc1 ZINC000268270658 509844630 /nfs/dbraw/zinc/84/46/30/509844630.db2.gz CDTXBOJMEGUAKJ-UHFFFAOYSA-N 1 0 361.530 2.991 20 10 FFCDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)CC1 ZINC000180765659 510098131 /nfs/dbraw/zinc/09/81/31/510098131.db2.gz UAOAHOOTYQQISB-DHZHZOJOSA-N 1 0 369.493 2.952 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000181273969 510332157 /nfs/dbraw/zinc/33/21/57/510332157.db2.gz YKCGCQDNZMSQTH-SOFGYWHQSA-N 1 0 368.433 2.706 20 10 FFCDRO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000171801900 510378557 /nfs/dbraw/zinc/37/85/57/510378557.db2.gz MTIORSWMJRIYGX-UHFFFAOYSA-N 1 0 356.422 2.590 20 10 FFCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246264553 510395426 /nfs/dbraw/zinc/39/54/26/510395426.db2.gz LIRVAMNPXSOFLK-UHOFOFEASA-N 1 0 353.413 2.500 20 10 FFCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000269639808 510495655 /nfs/dbraw/zinc/49/56/55/510495655.db2.gz XGJXLMNBAVXKMW-HNNXBMFYSA-N 1 0 354.454 2.812 20 10 FFCDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185029517 510643657 /nfs/dbraw/zinc/64/36/57/510643657.db2.gz YVNQUCHIOGIDMB-AWEZNQCLSA-N 1 0 350.484 2.868 20 10 FFCDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(Cl)ccc1O ZINC000185140537 510707614 /nfs/dbraw/zinc/70/76/14/510707614.db2.gz BNDORGOYOADINF-DYVFJYSZSA-N 1 0 356.919 2.904 20 10 FFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)ccc1O)CC2 ZINC000185317079 510803077 /nfs/dbraw/zinc/80/30/77/510803077.db2.gz XXABVLKBICALQC-SKDRFNHKSA-N 1 0 351.248 2.720 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)ccc1OC ZINC000282196193 510882355 /nfs/dbraw/zinc/88/23/55/510882355.db2.gz CHXYSEWMGNEVPK-OAQYLSRUSA-N 1 0 357.450 2.992 20 10 FFCDRO COCC1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC000293890820 510889212 /nfs/dbraw/zinc/88/92/12/510889212.db2.gz ZCYOGKIYPDRWLQ-MRXNPFEDSA-N 1 0 366.477 2.756 20 10 FFCDRO O=C1NC(=O)C2(CCC([NH2+]Cc3cc(-c4ccccc4)ccc3O)CC2)N1 ZINC000285552509 510952750 /nfs/dbraw/zinc/95/27/50/510952750.db2.gz ROZMVPSLIKZUKD-UHFFFAOYSA-N 1 0 365.433 2.670 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364590322 510957633 /nfs/dbraw/zinc/95/76/33/510957633.db2.gz RJFGBOVEINXUPF-BBRMVZONSA-N 1 0 353.260 2.503 20 10 FFCDRO COc1cc2c(cc1OC)CN(Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278178521 510983532 /nfs/dbraw/zinc/98/35/32/510983532.db2.gz GONKNPKSOHAXMS-UHFFFAOYSA-N 1 0 374.393 2.885 20 10 FFCDRO COc1c(O)c(CN2CCN([C@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278291898 510988068 /nfs/dbraw/zinc/98/80/68/510988068.db2.gz UYTCDLBTSGWVNI-CQSZACIVSA-N 1 0 372.425 2.583 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)ccc1OC ZINC000294205967 510989649 /nfs/dbraw/zinc/98/96/49/510989649.db2.gz YBQVZYOCUABSGY-FQEVSTJZSA-N 1 0 363.498 2.889 20 10 FFCDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 ZINC000278872510 511011407 /nfs/dbraw/zinc/01/14/07/511011407.db2.gz RZFMOTYAJJIOHL-UCLAIMLFSA-N 1 0 352.450 2.507 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc(=O)[nH]n1 ZINC000285935605 511016593 /nfs/dbraw/zinc/01/65/93/511016593.db2.gz FMCCPUKXXPFONF-STQMWFEESA-N 1 0 364.396 2.691 20 10 FFCDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(Br)cc2O)cn1 ZINC000282815363 511120961 /nfs/dbraw/zinc/12/09/61/511120961.db2.gz RNCAJWJKZNXLMX-LLVKDONJSA-N 1 0 354.248 2.848 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@]2(COC)OCCc3ccccc32)c1O ZINC000289943730 511122331 /nfs/dbraw/zinc/12/23/31/511122331.db2.gz UNQFDTUKZFEDLY-OAQYLSRUSA-N 1 0 357.450 2.995 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290361258 511135320 /nfs/dbraw/zinc/13/53/20/511135320.db2.gz QTVANJXBXNOLQW-CQSZACIVSA-N 1 0 374.441 2.877 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000294724001 511156438 /nfs/dbraw/zinc/15/64/38/511156438.db2.gz IKCHXBGCQBMAOP-LJQANCHMSA-N 1 0 373.541 2.899 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000333095387 511180301 /nfs/dbraw/zinc/18/03/01/511180301.db2.gz ABIKZALZNVICPY-UHFFFAOYSA-N 1 0 370.428 2.968 20 10 FFCDRO COC1CCN(c2ccc(CN3CC[S@](=O)[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000294869703 511203930 /nfs/dbraw/zinc/20/39/30/511203930.db2.gz DQYRRGQWRDBQQC-YWTKSJFSSA-N 1 0 350.528 2.643 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1O ZINC000295174204 511309606 /nfs/dbraw/zinc/30/96/06/511309606.db2.gz UTTORTJOGLLYQS-UHFFFAOYSA-N 1 0 361.891 2.747 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000295590933 511454592 /nfs/dbraw/zinc/45/45/92/511454592.db2.gz MNRQVZXJNQIFEY-CYBMUJFWSA-N 1 0 350.434 2.848 20 10 FFCDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000272827677 511508222 /nfs/dbraw/zinc/50/82/22/511508222.db2.gz GZQBYDXDODRJRJ-MRXNPFEDSA-N 1 0 353.466 2.912 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000292474318 511610545 /nfs/dbraw/zinc/61/05/45/511610545.db2.gz RPSCRCNLASHTPL-XOBRGWDASA-N 1 0 373.522 2.722 20 10 FFCDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)ccc1O ZINC000280908745 511649402 /nfs/dbraw/zinc/64/94/02/511649402.db2.gz GIHSECVTYKDBLU-GFCCVEGCSA-N 1 0 362.289 2.773 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3nccn4nc(C)cc34)cc2F)CC1 ZINC000302367548 511708150 /nfs/dbraw/zinc/70/81/50/511708150.db2.gz BGTHJMKYMDDHLU-UHFFFAOYSA-N 1 0 368.460 2.931 20 10 FFCDRO COC1CCN(c2ccc(CN3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000296879909 511935052 /nfs/dbraw/zinc/93/50/52/511935052.db2.gz WXFMJLCCFPTWCU-PMACEKPBSA-N 1 0 357.498 2.545 20 10 FFCDRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)ccc1O ZINC000274873653 511971943 /nfs/dbraw/zinc/97/19/43/511971943.db2.gz GFXNPXBOVWTGNX-HIFRSBDPSA-N 1 0 354.248 2.663 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297162758 512044239 /nfs/dbraw/zinc/04/42/39/512044239.db2.gz GVHZURFHPGXVIH-UHFFFAOYSA-N 1 0 359.474 2.985 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282119977 512081062 /nfs/dbraw/zinc/08/10/62/512081062.db2.gz QMRYLDHCEXCIJN-LJQANCHMSA-N 1 0 359.514 2.650 20 10 FFCDRO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC(O)CC1 ZINC000377068475 513106820 /nfs/dbraw/zinc/10/68/20/513106820.db2.gz RRAITPBJFFDIKV-BLDCVEFLSA-N 1 0 366.889 2.677 20 10 FFCDRO COC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435813077 513690258 /nfs/dbraw/zinc/69/02/58/513690258.db2.gz CWRQYBYESOLSTG-UHFFFAOYSA-N 1 0 357.498 2.949 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCOC2)C1 ZINC000435871416 513705025 /nfs/dbraw/zinc/70/50/25/513705025.db2.gz SOGRFDNZJQYRMN-QFIPXVFZSA-N 1 0 369.509 2.951 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](CO)C2CC2)C1 ZINC000461613233 514667444 /nfs/dbraw/zinc/66/74/44/514667444.db2.gz ZQOVARLDCHNCPN-QGZVFWFLSA-N 1 0 369.509 2.543 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000510918284 515714688 /nfs/dbraw/zinc/71/46/88/515714688.db2.gz FGQYYMNYXBQSRC-INIZCTEOSA-N 1 0 355.482 2.655 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000826208914 608620296 /nfs/dbraw/zinc/62/02/96/608620296.db2.gz FTECELYOSVPJFJ-UHFFFAOYSA-N 1 0 370.482 2.649 20 10 FFCDRO Cc1c(NCc2ccc(N3CC[NH+](C)CC3)cc2)cccc1-c1nn[nH]n1 ZINC000826242220 609485668 /nfs/dbraw/zinc/48/56/68/609485668.db2.gz FVZUTXQTSZGZRF-UHFFFAOYSA-N 1 0 363.469 2.539 20 10 FFCDRO CN(c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1)S(C)(=O)=O ZINC000898287126 735336789 /nfs/dbraw/zinc/33/67/89/735336789.db2.gz RLDBHWDJDFUUQP-UHFFFAOYSA-N 1 0 354.859 2.731 20 10 FFCDRO COCCc1ncc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC000898448082 735362058 /nfs/dbraw/zinc/36/20/58/735362058.db2.gz OXYAGCPITSYEJY-GOSISDBHSA-N 1 0 362.543 2.791 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)Cc2ccns2)[NH+](C)C)cc1 ZINC000899097978 735446826 /nfs/dbraw/zinc/44/68/26/735446826.db2.gz JVFCDZHMZYNNKP-QGZVFWFLSA-N 1 0 361.515 2.653 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000063665921 728136769 /nfs/dbraw/zinc/13/67/69/728136769.db2.gz SBVHKFZEGQKGPK-UHFFFAOYSA-N 1 0 360.527 2.523 20 10 FFCDRO C[N@H+](CC[S@](=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000104944816 728503981 /nfs/dbraw/zinc/50/39/81/728503981.db2.gz TYVCNUBCUCYWCH-RUZDIDTESA-N 1 0 358.507 2.763 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3cccs3)cc2F)CC1 ZINC000106701967 728511491 /nfs/dbraw/zinc/51/14/91/728511491.db2.gz XVQQONJVDODONU-UHFFFAOYSA-N 1 0 361.486 2.888 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)SC)cc2F)CC1 ZINC000163822974 728961282 /nfs/dbraw/zinc/96/12/82/728961282.db2.gz UTQYKSQTOYBWFG-CQSZACIVSA-N 1 0 368.522 2.518 20 10 FFCDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177270751 729132908 /nfs/dbraw/zinc/13/29/08/729132908.db2.gz FTLSIESTBPTCGZ-CYBMUJFWSA-N 1 0 352.862 2.986 20 10 FFCDRO C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC[N@@H+]1CC(C)(C)O ZINC000188965346 729394322 /nfs/dbraw/zinc/39/43/22/729394322.db2.gz ZKXRCTVJZSJLII-CQSZACIVSA-N 1 0 350.503 2.672 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000779019447 738429721 /nfs/dbraw/zinc/42/97/21/738429721.db2.gz RVUPKJPMKVLLPV-RISCZKNCSA-N 1 0 358.276 2.901 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000924710223 738440491 /nfs/dbraw/zinc/44/04/91/738440491.db2.gz HXCPQQPVJCZERG-INIZCTEOSA-N 1 0 367.559 2.683 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000856535732 730345446 /nfs/dbraw/zinc/34/54/46/730345446.db2.gz HLOAACCCWWWUAR-JKSUJKDBSA-N 1 0 359.857 2.704 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000858100019 730416565 /nfs/dbraw/zinc/41/65/65/730416565.db2.gz GQXUNABQNSMSRN-LBPRGKRZSA-N 1 0 363.259 2.703 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)COc2cccc(F)c2)cc1F ZINC000858106418 730416675 /nfs/dbraw/zinc/41/66/75/730416675.db2.gz ISDBGXSWRUTAKG-AWEZNQCLSA-N 1 0 354.372 2.699 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1F ZINC000858172120 730418720 /nfs/dbraw/zinc/41/87/20/730418720.db2.gz KMBIGWRHUFGQSP-ACJLOTCBSA-N 1 0 350.413 2.774 20 10 FFCDRO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000925161249 738484336 /nfs/dbraw/zinc/48/43/36/738484336.db2.gz OKCVDUWGFVLIIN-BBRMVZONSA-N 1 0 356.413 2.998 20 10 FFCDRO C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000863541488 730789651 /nfs/dbraw/zinc/78/96/51/730789651.db2.gz MASLMWOHWBYQQC-VIFPVBQESA-N 1 0 363.683 2.967 20 10 FFCDRO COCCc1ncc(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000865609578 730976419 /nfs/dbraw/zinc/97/64/19/730976419.db2.gz YANYALNUKQKCAE-HNNXBMFYSA-N 1 0 361.511 2.957 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865682915 730985199 /nfs/dbraw/zinc/98/51/99/730985199.db2.gz SHDVTTPWQRMCPS-NSHDSACASA-N 1 0 365.153 2.639 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(Br)cc1O ZINC000866412664 731057218 /nfs/dbraw/zinc/05/72/18/731057218.db2.gz LSJXGLZDCPDETO-YPMHNXCESA-N 1 0 357.292 2.651 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)[C@@H](O)C(F)(F)F ZINC000873099854 731875038 /nfs/dbraw/zinc/87/50/38/731875038.db2.gz SWAGTARIKVEEFQ-GOEBONIOSA-N 1 0 357.376 2.731 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)cc2)C1 ZINC000877146849 732328318 /nfs/dbraw/zinc/32/83/18/732328318.db2.gz WDTASVATMJUUKX-KBPBESRZSA-N 1 0 356.297 2.672 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2O)cc(Cl)c1OCC(N)=O ZINC000877757163 732424167 /nfs/dbraw/zinc/42/41/67/732424167.db2.gz KLPWQHPAQDRQMY-NSHDSACASA-N 1 0 364.829 2.769 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000877796082 732434650 /nfs/dbraw/zinc/43/46/50/732434650.db2.gz HFWGAJQEIJQXLB-UHFFFAOYSA-N 1 0 360.523 2.951 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)c(F)cc1[O-] ZINC000926946995 738671757 /nfs/dbraw/zinc/67/17/57/738671757.db2.gz HQUQAKMSVDJPPV-MSFDSXBXSA-N 1 0 360.223 2.748 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000926999148 738680018 /nfs/dbraw/zinc/68/00/18/738680018.db2.gz IHVJOCXWQQGVCD-JTQLQIEISA-N 1 0 372.259 2.967 20 10 FFCDRO Cc1cnc(Cl)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000881848616 733119932 /nfs/dbraw/zinc/11/99/32/733119932.db2.gz DSCVHPAAFXHVOU-UHFFFAOYSA-N 1 0 358.873 2.725 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000881854216 733120595 /nfs/dbraw/zinc/12/05/95/733120595.db2.gz XJQWTKBNCNDMPS-INIZCTEOSA-N 1 0 351.441 2.880 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)cc2)CC1 ZINC000881855163 733120692 /nfs/dbraw/zinc/12/06/92/733120692.db2.gz PWQULYGALOMUAW-RBUKOAKNSA-N 1 0 355.507 2.920 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c1O ZINC000927130768 738694703 /nfs/dbraw/zinc/69/47/03/738694703.db2.gz OKOGVAMUXZOVJW-QMTHXVAHSA-N 1 0 354.248 2.581 20 10 FFCDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000927087018 738689486 /nfs/dbraw/zinc/68/94/86/738689486.db2.gz YREUKZWFBWQGQY-GDBMZVCRSA-N 1 0 354.878 2.633 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c1O ZINC000927130766 738694838 /nfs/dbraw/zinc/69/48/38/738694838.db2.gz OKOGVAMUXZOVJW-HZMBPMFUSA-N 1 0 354.248 2.581 20 10 FFCDRO C[C@H](CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000883757707 733433921 /nfs/dbraw/zinc/43/39/21/733433921.db2.gz URJWLTNNOSCURG-AWEZNQCLSA-N 1 0 354.445 2.529 20 10 FFCDRO CN(C)Cc1csc(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000722380151 734383993 /nfs/dbraw/zinc/38/39/93/734383993.db2.gz HVHGACNARDMGJI-UHFFFAOYSA-N 1 0 356.289 2.963 20 10 FFCDRO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000725897636 734398233 /nfs/dbraw/zinc/39/82/33/734398233.db2.gz SSXRWHAQYOAIIK-CVEARBPZSA-N 1 0 359.495 2.749 20 10 FFCDRO COCc1csc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000891248192 734404548 /nfs/dbraw/zinc/40/45/48/734404548.db2.gz WTKCHWPIXWDICO-KRWDZBQOSA-N 1 0 361.511 2.993 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+]1CCC(C)CC1 ZINC000726248580 734415486 /nfs/dbraw/zinc/41/54/86/734415486.db2.gz ZNZBWLQOZYLERI-HNNXBMFYSA-N 1 0 350.482 2.811 20 10 FFCDRO O=C(NCCCSc1nccs1)NCc1cccc2c1CC[NH2+]C2 ZINC000891674614 734460080 /nfs/dbraw/zinc/46/00/80/734460080.db2.gz OCKITQUIINATIE-UHFFFAOYSA-N 1 0 362.524 2.770 20 10 FFCDRO Cc1cnc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)s1 ZINC000893260443 734676427 /nfs/dbraw/zinc/67/64/27/734676427.db2.gz YZEXFKWAPHWIPE-MRXNPFEDSA-N 1 0 361.515 2.620 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000893645457 734731621 /nfs/dbraw/zinc/73/16/21/734731621.db2.gz JAFKNTWIJDYZRB-AWEZNQCLSA-N 1 0 356.561 2.999 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]C/C=C/c3ccccc3)cc2)CC1 ZINC000733330973 734809975 /nfs/dbraw/zinc/80/99/75/734809975.db2.gz VSRYDOKHCHDOJW-QPJJXVBHSA-N 1 0 356.491 2.724 20 10 FFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894395254 734851264 /nfs/dbraw/zinc/85/12/64/734851264.db2.gz BGRANZNPVIGTPZ-CQSZACIVSA-N 1 0 352.431 2.510 20 10 FFCDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749287171 735710937 /nfs/dbraw/zinc/71/09/37/735710937.db2.gz DDTZNZXLNSSVKA-UHFFFAOYSA-N 1 0 352.450 2.874 20 10 FFCDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000903173827 736048399 /nfs/dbraw/zinc/04/83/99/736048399.db2.gz WZUQVFLHFNJOQE-QGZVFWFLSA-N 1 0 360.479 2.561 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1O ZINC000903212988 736056317 /nfs/dbraw/zinc/05/63/17/736056317.db2.gz JWMSBWSUXATPTC-RYUDHWBXSA-N 1 0 355.276 2.982 20 10 FFCDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1=O ZINC000903392120 736086687 /nfs/dbraw/zinc/08/66/87/736086687.db2.gz MRTAJBWFNHGKKY-KSSFIOAISA-N 1 0 365.905 2.838 20 10 FFCDRO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000754121861 736128265 /nfs/dbraw/zinc/12/82/65/736128265.db2.gz GKZMAVHCCZGQFT-AWEZNQCLSA-N 1 0 354.878 2.980 20 10 FFCDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cc1 ZINC000756447781 736332277 /nfs/dbraw/zinc/33/22/77/736332277.db2.gz YKIKIDDVBMJMPD-LBPRGKRZSA-N 1 0 368.886 2.946 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O ZINC000756481597 736335367 /nfs/dbraw/zinc/33/53/67/736335367.db2.gz DBSFBPHEPDKTFW-LBPRGKRZSA-N 1 0 354.859 2.675 20 10 FFCDRO COC1CCN(CC[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000756640369 736349146 /nfs/dbraw/zinc/34/91/46/736349146.db2.gz AGYFHQKNFXHVCV-GFCCVEGCSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1O ZINC000800289367 740508447 /nfs/dbraw/zinc/50/84/47/740508447.db2.gz LVLLPRJJLIGXFQ-AWEZNQCLSA-N 1 0 352.228 2.987 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000800530289 740531949 /nfs/dbraw/zinc/53/19/49/740531949.db2.gz XAVPJCBNZWLTEB-INIZCTEOSA-N 1 0 352.228 2.987 20 10 FFCDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000765361742 737112052 /nfs/dbraw/zinc/11/20/52/737112052.db2.gz CSNOJMXTDZXGAE-LBPRGKRZSA-N 1 0 350.356 2.892 20 10 FFCDRO COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)ccc1S(C)(=O)=O ZINC000765607384 737137631 /nfs/dbraw/zinc/13/76/31/737137631.db2.gz DCTMXXAGTKECBO-ZDUSSCGKSA-N 1 0 361.463 2.884 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)cc1OC ZINC000767513138 737334231 /nfs/dbraw/zinc/33/42/31/737334231.db2.gz MLZBBPCKBWXWFL-INIZCTEOSA-N 1 0 363.376 2.935 20 10 FFCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000768596307 737438290 /nfs/dbraw/zinc/43/82/90/737438290.db2.gz FZQYHQKDFDZHSZ-FUHWJXTLSA-N 1 0 350.528 2.837 20 10 FFCDRO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)n1cccn1 ZINC000768911617 737476482 /nfs/dbraw/zinc/47/64/82/737476482.db2.gz GJTAHJOKYKSBSW-CJNGLKHVSA-N 1 0 362.861 2.584 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)O[C@H]1CCOC1 ZINC000914156617 737516995 /nfs/dbraw/zinc/51/69/95/737516995.db2.gz CUYTWOXNUQVWRX-CABCVRRESA-N 1 0 354.834 2.525 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000769429297 737528838 /nfs/dbraw/zinc/52/88/38/737528838.db2.gz WYRCKYGBQXBUJM-GOSISDBHSA-N 1 0 353.532 2.566 20 10 FFCDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000773004147 737863110 /nfs/dbraw/zinc/86/31/10/737863110.db2.gz GLOJEWAXXBZBTQ-CABCVRRESA-N 1 0 365.905 2.837 20 10 FFCDRO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921703573 738027045 /nfs/dbraw/zinc/02/70/45/738027045.db2.gz XUYOPQHNHQTURB-UHFFFAOYSA-N 1 0 361.463 2.584 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)ccc1O ZINC000775527284 738099212 /nfs/dbraw/zinc/09/92/12/738099212.db2.gz PWQIXNIILMTWQB-HZPDHXFCSA-N 1 0 352.862 2.866 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000775833741 738129887 /nfs/dbraw/zinc/12/98/87/738129887.db2.gz LBCLLDJLFNOCDM-LIRRHRJNSA-N 1 0 362.495 2.540 20 10 FFCDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000776014211 738152043 /nfs/dbraw/zinc/15/20/43/738152043.db2.gz QKRVXNLGKDIBFA-ZIAGYGMSSA-N 1 0 372.259 2.697 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(Cl)cs3)cc2)CC1 ZINC000785466442 738965782 /nfs/dbraw/zinc/96/57/82/738965782.db2.gz NQNPVALWNJCKEW-UHFFFAOYSA-N 1 0 370.927 2.926 20 10 FFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982948 739305843 /nfs/dbraw/zinc/30/58/43/739305843.db2.gz KSDLCAJUPSJDBK-KBPBESRZSA-N 1 0 353.894 2.694 20 10 FFCDRO Cc1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000795679152 740051685 /nfs/dbraw/zinc/05/16/85/740051685.db2.gz TZLLDNNEBHSYMA-UHFFFAOYSA-N 1 0 368.543 2.759 20 10 FFCDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000796453593 740144394 /nfs/dbraw/zinc/14/43/94/740144394.db2.gz KWZQNQAMMVHDBI-UHFFFAOYSA-N 1 0 360.248 2.842 20 10 FFCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c2c1c(F)ccc2O ZINC000797115043 740213419 /nfs/dbraw/zinc/21/34/19/740213419.db2.gz YAFQSOJQAHOQBF-QKCSRTOESA-N 1 0 362.367 2.932 20 10 FFCDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1O ZINC000799736615 740446315 /nfs/dbraw/zinc/44/63/15/740446315.db2.gz ZCGGFHPDQMNGTF-UHFFFAOYSA-N 1 0 372.849 2.561 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1C(C)C ZINC000802746048 740726674 /nfs/dbraw/zinc/72/66/74/740726674.db2.gz ZQUBAOUXSMCQHP-UHFFFAOYSA-N 1 0 366.527 2.824 20 10 FFCDRO O=C(NCc1cc(Br)ccc1O)NC1CC[NH+](C2CC2)CC1 ZINC000804894348 740913737 /nfs/dbraw/zinc/91/37/37/740913737.db2.gz BFTYYMFVSCERLB-UHFFFAOYSA-N 1 0 368.275 2.581 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)ccc1N1CCOCC1 ZINC000806132504 741042239 /nfs/dbraw/zinc/04/22/39/741042239.db2.gz WXWBEWLFTQRBPW-BBRMVZONSA-N 1 0 362.367 2.862 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)OCO2 ZINC000808425875 741224735 /nfs/dbraw/zinc/22/47/35/741224735.db2.gz IQEDFDWORIKHCV-CQSZACIVSA-N 1 0 355.312 2.963 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000809712234 741336001 /nfs/dbraw/zinc/33/60/01/741336001.db2.gz GREBNGXRMWUYAB-UHFFFAOYSA-N 1 0 363.259 2.835 20 10 FFCDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000809785535 741343307 /nfs/dbraw/zinc/34/33/07/741343307.db2.gz VWCQJIUIVRCEBV-MRXNPFEDSA-N 1 0 368.543 2.891 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000811509727 741532053 /nfs/dbraw/zinc/53/20/53/741532053.db2.gz BLTPDFMOUOPNHW-UHFFFAOYSA-N 1 0 363.255 2.781 20 10 FFCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000817298505 742120216 /nfs/dbraw/zinc/12/02/16/742120216.db2.gz NDADFJBKJJEBSW-DOTOQJQBSA-N 1 0 366.527 2.611 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCCCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000818226451 742251980 /nfs/dbraw/zinc/25/19/80/742251980.db2.gz QYVKCNOJWMRRDA-UHFFFAOYSA-N 1 0 352.422 2.686 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC000824250429 743043848 /nfs/dbraw/zinc/04/38/48/743043848.db2.gz OLCVBUAASFQENY-UHFFFAOYSA-N 1 0 364.536 2.909 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000824564022 743106368 /nfs/dbraw/zinc/10/63/68/743106368.db2.gz FWXYHUSLEKZTPE-AWEZNQCLSA-N 1 0 358.866 2.671 20 10 FFCDRO Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CCO1 ZINC000825045852 743201133 /nfs/dbraw/zinc/20/11/33/743201133.db2.gz MRQXJWVDAQBFKS-CJNGLKHVSA-N 1 0 366.259 2.898 20 10 FFCDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000825137574 743217271 /nfs/dbraw/zinc/21/72/71/743217271.db2.gz BITYVVXPJVUDKX-OAHLLOKOSA-N 1 0 366.255 2.993 20 10 FFCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000825275447 743239225 /nfs/dbraw/zinc/23/92/25/743239225.db2.gz NOOHAQALKXBRMB-UHFFFAOYSA-N 1 0 370.335 2.660 20 10 FFCDRO CCN(CC)c1ccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)cc1F ZINC000825278806 743239792 /nfs/dbraw/zinc/23/97/92/743239792.db2.gz JBNRIXCKTDPGTH-MRXNPFEDSA-N 1 0 350.482 2.908 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)c1O ZINC000825326512 743248411 /nfs/dbraw/zinc/24/84/11/743248411.db2.gz NESKTBHSLMFCGC-UKRRQHHQSA-N 1 0 351.834 2.798 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)[C@@]12CCCO2 ZINC000825514653 743285828 /nfs/dbraw/zinc/28/58/28/743285828.db2.gz REXXLCJJHXIWMB-XHSDSOJGSA-N 1 0 356.260 2.971 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000825943747 743346664 /nfs/dbraw/zinc/34/66/64/743346664.db2.gz JYWLAIICNGBNTL-BBRMVZONSA-N 1 0 350.212 2.739 20 10 FFCDRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2O)c(OC)n1 ZINC000825955348 743348492 /nfs/dbraw/zinc/34/84/92/743348492.db2.gz KXFBBOQNKIIQLK-UHFFFAOYSA-N 1 0 353.216 2.857 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000827118608 743510973 /nfs/dbraw/zinc/51/09/73/743510973.db2.gz DKMGOKNECBCJGC-INIZCTEOSA-N 1 0 357.420 2.678 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000827733522 744967410 /nfs/dbraw/zinc/96/74/10/744967410.db2.gz HHRUTANJBRMWOE-UHFFFAOYSA-N 1 0 355.232 2.571 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1O ZINC000830106135 745307773 /nfs/dbraw/zinc/30/77/73/745307773.db2.gz SCEGFMIOONGVQV-LBPRGKRZSA-N 1 0 352.818 2.522 20 10 FFCDRO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000832265915 745668746 /nfs/dbraw/zinc/66/87/46/745668746.db2.gz BSMZSTFQEUZXIE-DOMZBBRYSA-N 1 0 362.499 2.655 20 10 FFCDRO CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274782 745669760 /nfs/dbraw/zinc/66/97/60/745669760.db2.gz YGEPQFCROJBTGI-AWEZNQCLSA-N 1 0 363.893 2.693 20 10 FFCDRO COc1ccc(SCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832292284 745673245 /nfs/dbraw/zinc/67/32/45/745673245.db2.gz DXNLDQYTKIBZFB-SFHVURJKSA-N 1 0 359.495 2.670 20 10 FFCDRO C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(F)ccc1O ZINC000834841164 745912559 /nfs/dbraw/zinc/91/25/59/745912559.db2.gz QXPRIONLWPPFIE-SNVBAGLBSA-N 1 0 355.207 2.806 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(Br)cc1O ZINC000834850961 745914102 /nfs/dbraw/zinc/91/41/02/745914102.db2.gz RHUHWVIEJGWHGE-OCCSQVGLSA-N 1 0 357.292 2.652 20 10 FFCDRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)ccc1O ZINC000834894091 745921311 /nfs/dbraw/zinc/92/13/11/745921311.db2.gz YZJLHRVKIPCEHW-FPMFFAJLSA-N 1 0 355.276 2.669 20 10 FFCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(Br)cc1O ZINC000834915717 745923846 /nfs/dbraw/zinc/92/38/46/745923846.db2.gz TWEULDLOVSHBRC-VHRBIJSZSA-N 1 0 353.260 2.959 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCOC1 ZINC000839012576 746755015 /nfs/dbraw/zinc/75/50/15/746755015.db2.gz UZBOHTRSQIXYBT-QGZVFWFLSA-N 1 0 369.303 2.680 20 10 FFCDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000840184730 747031267 /nfs/dbraw/zinc/03/12/67/747031267.db2.gz AUVZDZOOWNPWRX-AWEZNQCLSA-N 1 0 361.463 2.892 20 10 FFCDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000840189184 747033147 /nfs/dbraw/zinc/03/31/47/747033147.db2.gz UQJCMCPXDDPIEQ-CYBMUJFWSA-N 1 0 353.484 2.733 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c(O)cc(C)cc2Cl)s1 ZINC000840908712 747221792 /nfs/dbraw/zinc/22/17/92/747221792.db2.gz YUGOSJAGJCFWSH-UHFFFAOYSA-N 1 0 374.915 2.792 20 10 FFCDRO C[N@H+](Cc1cc(Br)ccc1O)C(C)(C)CN1CCOCC1 ZINC000840977396 747249594 /nfs/dbraw/zinc/24/95/94/747249594.db2.gz KMKZPRDWSWGJMT-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000841076301 747264602 /nfs/dbraw/zinc/26/46/02/747264602.db2.gz CWLFPVCGRIIWMP-RQJHMYQMSA-N 1 0 352.070 2.743 20 10 FFCDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1O ZINC000841745235 747447527 /nfs/dbraw/zinc/44/75/27/747447527.db2.gz OKGGTKRNFKWALG-ZDUSSCGKSA-N 1 0 368.886 2.816 20 10 FFCDRO C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2Cl)C1 ZINC000841895395 747484369 /nfs/dbraw/zinc/48/43/69/747484369.db2.gz BJIOYWFUBSNPFS-ZFWWWQNUSA-N 1 0 350.894 2.737 20 10 FFCDRO Cc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)sc1Cl ZINC000842784121 747686527 /nfs/dbraw/zinc/68/65/27/747686527.db2.gz BEMCAVKJUIREOC-ZDUSSCGKSA-N 1 0 373.931 2.754 20 10 FFCDRO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785491 747687169 /nfs/dbraw/zinc/68/71/69/747687169.db2.gz SFRNLWULIDICPC-INIZCTEOSA-N 1 0 367.902 2.693 20 10 FFCDRO C[N@H+](CCC[NH3+])Cc1cc(Br)cc(Br)c1[O-] ZINC000843050859 747756975 /nfs/dbraw/zinc/75/69/75/747756975.db2.gz SSKOQTKXSJRZJP-UHFFFAOYSA-N 1 0 352.070 2.698 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843487049 747844353 /nfs/dbraw/zinc/84/43/53/747844353.db2.gz MZOCJBMOAJSOCK-GHMZBOCLSA-N 1 0 365.275 2.717 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846143588 748414758 /nfs/dbraw/zinc/41/47/58/748414758.db2.gz JRXGDHJQVOPLIU-OLZOCXBDSA-N 1 0 364.467 2.721 20 10 FFCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N2CCOCC2)cc1Cl ZINC000846213689 748431846 /nfs/dbraw/zinc/43/18/46/748431846.db2.gz JTAVBCILDYHYBY-DNVCBOLYSA-N 1 0 368.905 2.759 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000848533652 748951931 /nfs/dbraw/zinc/95/19/31/748951931.db2.gz MEPRMDGPHKVASS-IINYFYTJSA-N 1 0 374.275 2.601 20 10 FFCDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848533704 748952798 /nfs/dbraw/zinc/95/27/98/748952798.db2.gz UFNNUFCRBOKTCY-PWSUYJOCSA-N 1 0 371.275 2.825 20 10 FFCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848536106 748953655 /nfs/dbraw/zinc/95/36/55/748953655.db2.gz KKTCWVFXFCGWIO-UFGOTCBOSA-N 1 0 371.275 2.729 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1O ZINC000848536884 748953743 /nfs/dbraw/zinc/95/37/43/748953743.db2.gz XVXMAMRFCRUVLH-VUPYVKPUSA-N 1 0 364.305 2.971 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848535287 748953846 /nfs/dbraw/zinc/95/38/46/748953846.db2.gz YIKRLODYOPNQSD-MWLCHTKSSA-N 1 0 369.259 2.577 20 10 FFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848547112 748956726 /nfs/dbraw/zinc/95/67/26/748956726.db2.gz KANJZSZBDFQMBA-ZJUUUORDSA-N 1 0 359.264 2.681 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848569481 748962346 /nfs/dbraw/zinc/96/23/46/748962346.db2.gz FDSQQHFTYSPZEN-BXKDBHETSA-N 1 0 355.232 2.789 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000848569485 748962672 /nfs/dbraw/zinc/96/26/72/748962672.db2.gz FDSQQHFTYSPZEN-SKDRFNHKSA-N 1 0 355.232 2.789 20 10 FFCDRO CCc1cccc(C[N@H+](C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)c1O ZINC000848910977 749033010 /nfs/dbraw/zinc/03/30/10/749033010.db2.gz CFDSTPFYHZEWMB-HNNXBMFYSA-N 1 0 368.543 2.837 20 10 FFCDRO S=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NCC1CC1 ZINC000849260601 749079292 /nfs/dbraw/zinc/07/92/92/749079292.db2.gz MYAINIHHJCSACR-UHFFFAOYSA-N 1 0 358.555 2.593 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ncc(C4OCCO4)s3)C2)cc1 ZINC000850345978 749346451 /nfs/dbraw/zinc/34/64/51/749346451.db2.gz AYMIQTRRSITZTP-CYBMUJFWSA-N 1 0 361.467 2.566 20 10 FFCDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850508642 749378144 /nfs/dbraw/zinc/37/81/44/749378144.db2.gz VUWZNBUBYLERJE-MOPGFXCFSA-N 1 0 350.528 2.836 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1([NH3+])CCCC1 ZINC000851671785 749644506 /nfs/dbraw/zinc/64/45/06/749644506.db2.gz SYRHAQBFFJSBCI-UHFFFAOYSA-N 1 0 370.291 2.958 20 10 FFCDRO O=C(NCCCSc1nccs1)c1cc(C2CC[NH2+]CC2)no1 ZINC000852805848 749959032 /nfs/dbraw/zinc/95/90/32/749959032.db2.gz NTNKAAQCEZXTSM-UHFFFAOYSA-N 1 0 352.485 2.510 20 10 FFCDRO Cc1cc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC000392288803 845852031 /nfs/dbraw/zinc/85/20/31/845852031.db2.gz MEHIPHHNQUMMMW-UHFFFAOYSA-N 1 0 361.511 2.608 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCC1 ZINC000651342269 970855849 /nfs/dbraw/zinc/85/58/49/970855849.db2.gz QCNABFWHYAYHDT-INIZCTEOSA-N 1 0 369.509 2.939 20 10 FFCDRO COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)c3cccnn3)C[C@H]2C)cc1C ZINC001104824707 970938372 /nfs/dbraw/zinc/93/83/72/970938372.db2.gz GREZHKNUSQLVLZ-SJLPKXTDSA-N 1 0 368.481 2.682 20 10 FFCDRO COc1cc(N2CC[NH+](CC[C@@H]3CCCCO3)CC2)cc(OC)c1OC ZINC000759878856 971878735 /nfs/dbraw/zinc/87/87/35/971878735.db2.gz PESMAGMMXQINTA-KRWDZBQOSA-N 1 0 364.486 2.794 20 10 FFCDRO Cc1cc(CC[NH2+]C[C@H](O)CC2(O)CCOCC2)c(C)n1-c1ccccc1 ZINC000871969443 1013124025 /nfs/dbraw/zinc/12/40/25/1013124025.db2.gz WEJRYVYUGUUFLQ-OAQYLSRUSA-N 1 0 372.509 2.519 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001275893026 1013150056 /nfs/dbraw/zinc/15/00/56/1013150056.db2.gz NWIYFKOIUWMUGO-BLLLJJGKSA-N 1 0 364.873 2.741 20 10 FFCDRO COc1cccc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000049740681 960323955 /nfs/dbraw/zinc/32/39/55/960323955.db2.gz KFSWFXNHALCVLF-UHFFFAOYSA-N 1 0 367.493 2.696 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCc3cccc(NC(C)=O)c3C2)cc1OC ZINC000872661270 1013245287 /nfs/dbraw/zinc/24/52/87/1013245287.db2.gz NQDKEEHEKQLIST-UHFFFAOYSA-N 1 0 356.422 2.926 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)c2cc[nH]n2)cc1C ZINC001087125050 962453839 /nfs/dbraw/zinc/45/38/39/962453839.db2.gz YVVHWIHDCZSAAN-PBHICJAKSA-N 1 0 356.470 2.757 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1Cn1cccn1 ZINC000873009073 1013345461 /nfs/dbraw/zinc/34/54/61/1013345461.db2.gz SHSZJHHCYHOWEZ-LJQANCHMSA-N 1 0 355.413 2.902 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\c2cncc(F)c2)[NH+](C)C)cc1 ZINC000891242282 962530512 /nfs/dbraw/zinc/53/05/12/962530512.db2.gz DPZSCOIQCIVNJT-AJWDXOCTSA-N 1 0 356.445 2.719 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3oc(=O)[nH]c3c2)[NH+](C)C)cc1 ZINC000891246217 962564251 /nfs/dbraw/zinc/56/42/51/962564251.db2.gz AOEHLXCTUFHEGX-KRWDZBQOSA-N 1 0 368.437 2.632 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000891246736 962565660 /nfs/dbraw/zinc/56/56/60/962565660.db2.gz CMORWTQESWIFIQ-VQTJNVASSA-N 1 0 365.477 2.842 20 10 FFCDRO CCn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C2CC2)n1 ZINC000891247797 962579833 /nfs/dbraw/zinc/57/98/33/962579833.db2.gz VHJRZIQTUZXHOZ-LJQANCHMSA-N 1 0 369.513 2.879 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)c2ccccn2)[NH+](C)C)cc1 ZINC000891250599 962591405 /nfs/dbraw/zinc/59/14/05/962591405.db2.gz XURPWLWNFYBRGQ-SFHVURJKSA-N 1 0 354.498 2.844 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)/C=C\C2(C)CCOCC2)[NH+](C)C)cc1 ZINC000891250513 962591522 /nfs/dbraw/zinc/59/15/22/962591522.db2.gz WLPFNZBSINQRHU-GDWUOILNSA-N 1 0 359.514 2.844 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Cc2n[nH]c3ccccc23)[NH+](C)C)cc1 ZINC000891254674 962613603 /nfs/dbraw/zinc/61/36/03/962613603.db2.gz IEECUGUBTLKTLR-HXUWFJFHSA-N 1 0 365.481 2.591 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCc2cccc3c2CC[NH2+]C3)cc1F ZINC000891457101 964346159 /nfs/dbraw/zinc/34/61/59/964346159.db2.gz VKPCAIASXVDPJA-UHFFFAOYSA-N 1 0 356.445 2.537 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000894372713 965092330 /nfs/dbraw/zinc/09/23/30/965092330.db2.gz NASQFJBHDJEVRK-KRWDZBQOSA-N 1 0 359.474 2.831 20 10 FFCDRO O=C(CC1CCOCC1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092012319 965357402 /nfs/dbraw/zinc/35/74/02/965357402.db2.gz DGUDURUCBKOHSV-UHFFFAOYSA-N 1 0 371.525 2.652 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000892031411 965843772 /nfs/dbraw/zinc/84/37/72/965843772.db2.gz KMJBWHBZLTVKSU-RBUKOAKNSA-N 1 0 374.554 2.618 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCCCCC[NH3+])C2)cc1 ZINC000892194049 966247467 /nfs/dbraw/zinc/24/74/67/966247467.db2.gz SQHGETKBIXECBU-KRWDZBQOSA-N 1 0 362.518 2.682 20 10 FFCDRO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161390398 966921781 /nfs/dbraw/zinc/92/17/81/966921781.db2.gz GBQLFAROSZEDDK-YLJYHZDGSA-N 1 0 359.514 2.792 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000729500992 967396798 /nfs/dbraw/zinc/39/67/98/967396798.db2.gz DSVDYZWEFIESPN-UXHICEINSA-N 1 0 374.529 2.537 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)c1O ZINC000895078029 967431748 /nfs/dbraw/zinc/43/17/48/967431748.db2.gz MEHVYUOLDADLCX-UHFFFAOYSA-N 1 0 365.470 2.937 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]CC3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000895227415 968528873 /nfs/dbraw/zinc/52/88/73/968528873.db2.gz AJIJJRHESCHMGN-MRXNPFEDSA-N 1 0 361.486 2.730 20 10 FFCDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179330358 968608132 /nfs/dbraw/zinc/60/81/32/968608132.db2.gz VOOYEYHNVIMIDX-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c([O-])ccc(Cl)c1Cl ZINC001279676487 969027575 /nfs/dbraw/zinc/02/75/75/969027575.db2.gz FVFVALBYGAKOQI-GJZGRUSLSA-N 1 0 358.313 2.909 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2OCC[C@H]2C)cc1C ZINC001025089369 969634457 /nfs/dbraw/zinc/63/44/57/969634457.db2.gz JPLWFHXCNFNZGP-ZTNFWEORSA-N 1 0 360.498 2.899 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000311689591 970120130 /nfs/dbraw/zinc/12/01/30/970120130.db2.gz OMKIKRBQIOGANY-APWZRJJASA-N 1 0 356.466 2.952 20 10 FFCDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-] ZINC000892732780 970261995 /nfs/dbraw/zinc/26/19/95/970261995.db2.gz LNPYWKFIPDBHNR-UHFFFAOYSA-N 1 0 357.410 2.981 20 10 FFCDRO CCOCc1cc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)ccc1OC ZINC000895345211 970433549 /nfs/dbraw/zinc/43/35/49/970433549.db2.gz YNBNCHUVCHYRAJ-GOSISDBHSA-N 1 0 361.486 2.611 20 10 FFCDRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000840824629 973384901 /nfs/dbraw/zinc/38/49/01/973384901.db2.gz MATXQYDVSIAUPZ-HNNXBMFYSA-N 1 0 363.477 2.762 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC000644823193 975229695 /nfs/dbraw/zinc/22/96/95/975229695.db2.gz ZJEURUJATNHRDS-FXAWDEMLSA-N 1 0 355.482 2.681 20 10 FFCDRO COc1cc(C)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000125715296 975320684 /nfs/dbraw/zinc/32/06/84/975320684.db2.gz OJZSMGQCCNDSGL-UHFFFAOYSA-N 1 0 357.410 2.940 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1 ZINC000796551090 1014278563 /nfs/dbraw/zinc/27/85/63/1014278563.db2.gz SKZAHTLZFYXTTG-HKUYNNGSSA-N 1 0 361.486 2.622 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)N(C)C)cc1 ZINC000898448716 976460177 /nfs/dbraw/zinc/46/01/77/976460177.db2.gz VLWAYYSJRJELCN-GOSISDBHSA-N 1 0 354.454 2.992 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3oc(=O)oc3c2)N(C)C)cc1 ZINC000898447992 976471197 /nfs/dbraw/zinc/47/11/97/976471197.db2.gz NWTQBHWKYCGORD-QGZVFWFLSA-N 1 0 355.438 2.845 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCCOC3)[NH+](C)C)cc1 ZINC000899098053 976922672 /nfs/dbraw/zinc/92/26/72/976922672.db2.gz LAIZWIONDILTRF-PZJWPPBQSA-N 1 0 374.529 2.567 20 10 FFCDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893687560 977042329 /nfs/dbraw/zinc/04/23/29/977042329.db2.gz CBNMEVUGHASJOO-DZGCQCFKSA-N 1 0 366.458 2.756 20 10 FFCDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000893687561 977046299 /nfs/dbraw/zinc/04/62/99/977046299.db2.gz CBNMEVUGHASJOO-HIFRSBDPSA-N 1 0 366.458 2.756 20 10 FFCDRO Cc1cc(C[NH3+])oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000876872864 1014407095 /nfs/dbraw/zinc/40/70/95/1014407095.db2.gz PCCGMHFILFCWLN-SFHVURJKSA-N 1 0 371.481 2.934 20 10 FFCDRO COC(=O)c1[nH]c(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cc1C ZINC000876998890 1014444637 /nfs/dbraw/zinc/44/46/37/1014444637.db2.gz ODFRGJWKYITTNV-UHFFFAOYSA-N 1 0 357.454 2.877 20 10 FFCDRO O=C1[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCN1c1ccccc1 ZINC000877007427 1014447517 /nfs/dbraw/zinc/44/75/17/1014447517.db2.gz POGAZPZJSKRNFZ-OAQYLSRUSA-N 1 0 365.477 2.543 20 10 FFCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877032000 1014456274 /nfs/dbraw/zinc/45/62/74/1014456274.db2.gz FUBPLJRFMVXKCP-FQEVSTJZSA-N 1 0 352.482 2.913 20 10 FFCDRO CO[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000877559502 978126018 /nfs/dbraw/zinc/12/60/18/978126018.db2.gz XDNZLHCNKZONHG-QFIPXVFZSA-N 1 0 354.494 2.995 20 10 FFCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877117271 1014479227 /nfs/dbraw/zinc/47/92/27/1014479227.db2.gz RBPGVMGYVVPOPF-UHFFFAOYSA-N 1 0 361.530 2.678 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)ccc21 ZINC000877273558 1014534414 /nfs/dbraw/zinc/53/44/14/1014534414.db2.gz FJNGHXKKIUVQDF-AZUAARDMSA-N 1 0 355.482 2.871 20 10 FFCDRO COc1ccc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c1 ZINC000697043369 979157136 /nfs/dbraw/zinc/15/71/36/979157136.db2.gz UCRKTUSHMBLDLU-UHFFFAOYSA-N 1 0 366.458 2.564 20 10 FFCDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877400900 1014572466 /nfs/dbraw/zinc/57/24/66/1014572466.db2.gz YCSICSNOCWKEOX-OAHLLOKOSA-N 1 0 363.502 2.651 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]32)cc1 ZINC001076623140 979733944 /nfs/dbraw/zinc/73/39/44/979733944.db2.gz IBVQDKGNNDRNPK-DOTOQJQBSA-N 1 0 355.442 2.795 20 10 FFCDRO C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000237529473 979882914 /nfs/dbraw/zinc/88/29/14/979882914.db2.gz LETFCJBVVZCYKL-DLBZAZTESA-N 1 0 359.514 2.726 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCN(c4ccc(F)cn4)CC3)cc2)CC1 ZINC000877525986 1014613387 /nfs/dbraw/zinc/61/33/87/1014613387.db2.gz DDNJIDCFDSHLIX-UHFFFAOYSA-N 1 0 370.472 2.504 20 10 FFCDRO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877588539 1014636506 /nfs/dbraw/zinc/63/65/06/1014636506.db2.gz SAGCYXUMRJZPEX-FCHUYYIVSA-N 1 0 352.478 2.956 20 10 FFCDRO COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1N ZINC000904498929 980292522 /nfs/dbraw/zinc/29/25/22/980292522.db2.gz FBGWBYMWWIEIPW-SFHVURJKSA-N 1 0 371.485 2.768 20 10 FFCDRO Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000905482029 980445089 /nfs/dbraw/zinc/44/50/89/980445089.db2.gz QEYHEGGHTHMVOU-NRFANRHFSA-N 1 0 367.493 2.520 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000877731403 1014702309 /nfs/dbraw/zinc/70/23/09/1014702309.db2.gz QAGWSHIAARZRLC-XBXGTLAGSA-N 1 0 366.458 2.802 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000877922060 1014767590 /nfs/dbraw/zinc/76/75/90/1014767590.db2.gz PEFBKQXASYJXCH-FQEVSTJZSA-N 1 0 360.498 2.541 20 10 FFCDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000910946567 982106996 /nfs/dbraw/zinc/10/69/96/982106996.db2.gz QHLKSUOJSCHAEG-GOSISDBHSA-N 1 0 354.450 2.669 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000826017832 1014844309 /nfs/dbraw/zinc/84/43/09/1014844309.db2.gz VYYWGKJKDRKWPC-INIZCTEOSA-N 1 0 374.485 2.619 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000841966075 982479174 /nfs/dbraw/zinc/47/91/74/982479174.db2.gz PIRMMQJFKRTTJK-IBGZPJMESA-N 1 0 356.470 2.795 20 10 FFCDRO COC(=O)C[C@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000898301387 982676656 /nfs/dbraw/zinc/67/66/56/982676656.db2.gz CHEPACFOFVJAAU-INIZCTEOSA-N 1 0 359.422 2.673 20 10 FFCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)cc1 ZINC000898367413 982695825 /nfs/dbraw/zinc/69/58/25/982695825.db2.gz DCTUEIGHSRNZST-JZIMQPMSSA-N 1 0 373.888 2.783 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000073021424 983986568 /nfs/dbraw/zinc/98/65/68/983986568.db2.gz PDJIMSQPSQKOOR-NRFANRHFSA-N 1 0 370.493 2.703 20 10 FFCDRO O=C(c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1)N1CCOCC1 ZINC000921506558 984042448 /nfs/dbraw/zinc/04/24/48/984042448.db2.gz WIOSGUCPWILLFH-UHFFFAOYSA-N 1 0 366.461 2.774 20 10 FFCDRO Fc1cc(C[NH2+][C@@H]2CCSC2)ccc1N1CCN(c2ncccn2)CC1 ZINC000765278754 985014396 /nfs/dbraw/zinc/01/43/96/985014396.db2.gz BFLSVZPTWGXMEQ-MRXNPFEDSA-N 1 0 373.501 2.537 20 10 FFCDRO COc1ccc([C@H]2C[C@@H]([NH2+]CCc3cc(O)c(O)cc3O)CCO2)cc1 ZINC001168589185 985653450 /nfs/dbraw/zinc/65/34/50/985653450.db2.gz AQEQBEMQXOPNTI-MGPUTAFESA-N 1 0 359.422 2.864 20 10 FFCDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000186325517 985944130 /nfs/dbraw/zinc/94/41/30/985944130.db2.gz HEVQQYIZZCXJGV-WOJBJXKFSA-N 1 0 361.530 2.894 20 10 FFCDRO O=C1[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1C1CCCCC1 ZINC000131588273 986189019 /nfs/dbraw/zinc/18/90/19/986189019.db2.gz MAACRNASBGIOBQ-FQEVSTJZSA-N 1 0 357.498 2.546 20 10 FFCDRO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC000843112566 986221955 /nfs/dbraw/zinc/22/19/55/986221955.db2.gz HMKPREHPPFFNGI-INIZCTEOSA-N 1 0 358.438 2.565 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1C ZINC000999753986 986617645 /nfs/dbraw/zinc/61/76/45/986617645.db2.gz XJGCTFZFTGTGPN-FJEWGBTGSA-N 1 0 370.493 2.508 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000765978787 988206023 /nfs/dbraw/zinc/20/60/23/988206023.db2.gz OPOTWHGARRLHQB-HXUWFJFHSA-N 1 0 374.481 2.838 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000879200700 1015407060 /nfs/dbraw/zinc/40/70/60/1015407060.db2.gz YECXQFYDIHRXOF-UHFFFAOYSA-N 1 0 372.557 2.661 20 10 FFCDRO CC(C)(C)OC(=O)NCC1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000705610465 990476776 /nfs/dbraw/zinc/47/67/76/990476776.db2.gz ZNGJVWATLHHBOD-UHFFFAOYSA-N 1 0 362.470 2.785 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN3C3CCOCC3)CC2)cc1 ZINC000922953768 990765433 /nfs/dbraw/zinc/76/54/33/990765433.db2.gz RFYNCHLDIFZRNZ-FQEVSTJZSA-N 1 0 359.514 2.507 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1O ZINC000879650032 1015625447 /nfs/dbraw/zinc/62/54/47/1015625447.db2.gz YJILZEYREPHYLV-MRXNPFEDSA-N 1 0 369.465 2.514 20 10 FFCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000068975661 991553485 /nfs/dbraw/zinc/55/34/85/991553485.db2.gz OXHRWWUEKYKSKI-KRWDZBQOSA-N 1 0 374.554 2.911 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C)[C@H]3CCCC[C@@H]31)cc2=O ZINC000182507023 992088257 /nfs/dbraw/zinc/08/82/57/992088257.db2.gz GJUJRKPTIZJELJ-BJJXKVORSA-N 1 0 358.442 2.622 20 10 FFCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(I)c1O ZINC001237781637 992713484 /nfs/dbraw/zinc/71/34/84/992713484.db2.gz ZHOIXYSPPBWQNC-FZMZJTMJSA-N 1 0 372.250 2.523 20 10 FFCDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809567974 994541581 /nfs/dbraw/zinc/54/15/81/994541581.db2.gz SNJWYQWAAPRRCJ-LJQANCHMSA-N 1 0 365.521 2.748 20 10 FFCDRO O=C1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCN4Cc3ccccc3)C2)CN1 ZINC000809656306 994568537 /nfs/dbraw/zinc/56/85/37/994568537.db2.gz BATYKNZIXGOUJC-QHCPKHFHSA-N 1 0 361.489 2.961 20 10 FFCDRO COc1c(O)c(CN(CC[NH+](C)C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000809735844 994597814 /nfs/dbraw/zinc/59/78/14/994597814.db2.gz VNQOAGYEPOLIJT-UHFFFAOYSA-N 1 0 363.414 2.774 20 10 FFCDRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000809980689 994658174 /nfs/dbraw/zinc/65/81/74/994658174.db2.gz QYBCYBCAEASFNS-HNNXBMFYSA-N 1 0 350.466 2.962 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000810243782 994742997 /nfs/dbraw/zinc/74/29/97/994742997.db2.gz UFHBQRCWKSUYSC-HNNXBMFYSA-N 1 0 371.456 2.541 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)cc1OC ZINC000811511883 995172961 /nfs/dbraw/zinc/17/29/61/995172961.db2.gz WYMAPNDAVUBLBD-HNNXBMFYSA-N 1 0 364.442 2.653 20 10 FFCDRO COc1cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1C ZINC001132899500 995185574 /nfs/dbraw/zinc/18/55/74/995185574.db2.gz WYPUATPWOCNRAZ-UHFFFAOYSA-N 1 0 353.466 2.685 20 10 FFCDRO CO[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC001132903189 995199678 /nfs/dbraw/zinc/19/96/78/995199678.db2.gz VVBDKEJJNPDWLF-FQEVSTJZSA-N 1 0 359.514 2.650 20 10 FFCDRO Cc1ccc(F)c(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001133123862 995332861 /nfs/dbraw/zinc/33/28/61/995332861.db2.gz ZXHLJRVQFNJULC-UHFFFAOYSA-N 1 0 371.456 2.581 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cccnc3C)C[C@H]2C)cc1C ZINC001082740193 995393449 /nfs/dbraw/zinc/39/34/49/995393449.db2.gz WDSFYUSCMASMML-OXQOHEQNSA-N 1 0 367.493 2.886 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C1 ZINC000727466825 995831711 /nfs/dbraw/zinc/83/17/11/995831711.db2.gz JOVRCIOAGOSGLL-QGZVFWFLSA-N 1 0 363.465 2.554 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000824694495 997056744 /nfs/dbraw/zinc/05/67/44/997056744.db2.gz RGVPPLLNHQJJBO-ZHALLVOQSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1cc(CN2CCC([N@H+](C)CCCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000824814108 997099151 /nfs/dbraw/zinc/09/91/51/997099151.db2.gz LSLUDTWHEVAOEV-UHFFFAOYSA-N 1 0 364.530 2.977 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC000826846844 1016101103 /nfs/dbraw/zinc/10/11/03/1016101103.db2.gz ZIKWEIXWWVEKKZ-FHERZECASA-N 1 0 361.486 2.919 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000844176297 997694822 /nfs/dbraw/zinc/69/48/22/997694822.db2.gz NXRLDKHUCWTQLR-KRWDZBQOSA-N 1 0 367.493 2.776 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C1CC1 ZINC000844477823 997913702 /nfs/dbraw/zinc/91/37/02/997913702.db2.gz AZYBKWWCIXSXKZ-LEWJYISDSA-N 1 0 372.509 2.933 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000845256590 998440176 /nfs/dbraw/zinc/44/01/76/998440176.db2.gz YXQZHRWOMCNYDI-QGZVFWFLSA-N 1 0 362.518 2.505 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499531 998608598 /nfs/dbraw/zinc/60/85/98/998608598.db2.gz HTPWSDDQFYCDFU-LBPRGKRZSA-N 1 0 352.431 2.683 20 10 FFCDRO Oc1cc(O)c(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c(O)c1 ZINC001144508526 998615402 /nfs/dbraw/zinc/61/54/02/998615402.db2.gz PLHPPZMEHFBBOY-UHFFFAOYSA-N 1 0 363.417 2.861 20 10 FFCDRO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144509248 998622457 /nfs/dbraw/zinc/62/24/57/998622457.db2.gz QGYFKIGGBUDUTR-YHWZYXNKSA-N 1 0 364.442 2.824 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509210 998622497 /nfs/dbraw/zinc/62/24/97/998622497.db2.gz PDJPZKKTCACZSZ-GFCCVEGCSA-N 1 0 352.431 2.540 20 10 FFCDRO Oc1cc(O)c(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(O)c1 ZINC001144509320 998622511 /nfs/dbraw/zinc/62/25/11/998622511.db2.gz SMRGPAJXGSVRQV-UHFFFAOYSA-N 1 0 357.435 2.735 20 10 FFCDRO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514804 998626589 /nfs/dbraw/zinc/62/65/89/998626589.db2.gz SLUKXBHLHDKPMZ-VXGBXAGGSA-N 1 0 352.431 2.681 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)C1 ZINC000845949115 998690533 /nfs/dbraw/zinc/69/05/33/998690533.db2.gz GWKJHLQVOIBEEX-INIZCTEOSA-N 1 0 364.449 2.819 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C[C@H]2CCOC2)cc1C ZINC001085156673 999039887 /nfs/dbraw/zinc/03/98/87/999039887.db2.gz SADHPDCIMUCAMN-GUDVDZBRSA-N 1 0 360.498 2.947 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000734668803 999315274 /nfs/dbraw/zinc/31/52/74/999315274.db2.gz IDLJNPCUMBOAGC-UHFFFAOYSA-N 1 0 374.529 2.505 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000735871006 999502994 /nfs/dbraw/zinc/50/29/94/999502994.db2.gz ALYPDPLKTXVYKT-DBXWQHBBSA-N 1 0 371.525 2.997 20 10 FFCDRO CCN(C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000738971062 999637201 /nfs/dbraw/zinc/63/72/01/999637201.db2.gz SFDWMHSYVQPTFC-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C2CC2)cc1 ZINC000743203634 999803590 /nfs/dbraw/zinc/80/35/90/999803590.db2.gz HDBFKRHFALFPBA-UHFFFAOYSA-N 1 0 370.501 2.707 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000846052766 1000197670 /nfs/dbraw/zinc/19/76/70/1000197670.db2.gz SFVAFIQKTUYFFI-UHFFFAOYSA-N 1 0 353.470 2.923 20 10 FFCDRO COc1cccc(O)c1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000846050258 1000197691 /nfs/dbraw/zinc/19/76/91/1000197691.db2.gz ZOKVHNJMUXISGA-KNQAVFIVSA-N 1 0 368.477 2.876 20 10 FFCDRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000768340815 1000217145 /nfs/dbraw/zinc/21/71/45/1000217145.db2.gz FKFORSJNMZZUIJ-LJQANCHMSA-N 1 0 374.506 2.963 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](COCc3ccccc3)C1)[C@@H](O)CO2 ZINC000768465600 1000262548 /nfs/dbraw/zinc/26/25/48/1000262548.db2.gz IUUPPICMSVMBBJ-UZLBHIALSA-N 1 0 355.434 2.857 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465526 1000262829 /nfs/dbraw/zinc/26/28/29/1000262829.db2.gz ILVMLQSCWFHESS-XLIONFOSSA-N 1 0 354.450 2.524 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1Cn1cnc3ccccc31)[C@H](O)CO2 ZINC000768465920 1000263565 /nfs/dbraw/zinc/26/35/65/1000263565.db2.gz SOPSQZFSVAENPA-FOIQADDNSA-N 1 0 365.433 2.832 20 10 FFCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOC1 ZINC000768534092 1000287179 /nfs/dbraw/zinc/28/71/79/1000287179.db2.gz MHRDJLAVLFHXOE-NRFANRHFSA-N 1 0 371.433 2.783 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCN(c3cccc(OCC)n3)CC2)c1 ZINC000768894577 1000376424 /nfs/dbraw/zinc/37/64/24/1000376424.db2.gz ZLPOEDLRPUSOCY-UHFFFAOYSA-N 1 0 357.454 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COC(=O)[C@]12C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]1COCC2 ZINC000793346071 1003335006 /nfs/dbraw/zinc/33/50/06/1003335006.db2.gz AKYQRVVSUUMGNS-GHTZIAJQSA-N 1 0 358.482 2.688 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)c(O)c1 ZINC000793386324 1003359930 /nfs/dbraw/zinc/35/99/30/1003359930.db2.gz LQXOOVWRKSHVFN-CYBMUJFWSA-N 1 0 374.437 2.925 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC001203647984 1003439159 /nfs/dbraw/zinc/43/91/59/1003439159.db2.gz AYPYTIHAXNKMCJ-FZMZJTMJSA-N 1 0 353.260 2.597 20 10 FFCDRO CCOC(=O)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000775079831 1003536215 /nfs/dbraw/zinc/53/62/15/1003536215.db2.gz INULLKFOIJSATF-OAQYLSRUSA-N 1 0 367.493 2.832 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000806324211 1004293649 /nfs/dbraw/zinc/29/36/49/1004293649.db2.gz DNROBOMMZRYPJE-LJQANCHMSA-N 1 0 358.461 2.994 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000806810107 1004421649 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ZINC000881854508 1006244352 /nfs/dbraw/zinc/24/43/52/1006244352.db2.gz DRPPLOPCRQIEJP-UHFFFAOYSA-N 1 0 374.488 2.846 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc3C2)[NH+](C)C)cc1 ZINC001134681950 1006444176 /nfs/dbraw/zinc/44/41/76/1006444176.db2.gz ODWKRQANCLUNKL-AZUAARDMSA-N 1 0 367.493 2.723 20 10 FFCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775203514 1006748574 /nfs/dbraw/zinc/74/85/74/1006748574.db2.gz LJGFTMLYAWDLOZ-TZIWHRDSSA-N 1 0 362.514 2.523 20 10 FFCDRO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254459 1007100689 /nfs/dbraw/zinc/10/06/89/1007100689.db2.gz JNKDYDYEVPMOQS-INIZCTEOSA-N 1 0 369.465 2.821 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc3ccccc3c2O)cc1 ZINC000816541501 1007102891 /nfs/dbraw/zinc/10/28/91/1007102891.db2.gz OAFHCTKHTBVACS-UHFFFAOYSA-N 1 0 370.474 2.922 20 10 FFCDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000816562312 1007120250 /nfs/dbraw/zinc/12/02/50/1007120250.db2.gz GYKSTVHRJCMQQF-LPHOPBHVSA-N 1 0 367.493 2.815 20 10 FFCDRO COc1ccc2c(c1)CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC000884010876 1007138930 /nfs/dbraw/zinc/13/89/30/1007138930.db2.gz NRTBUBUTDRRJGG-RXVVDRJESA-N 1 0 367.493 2.682 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000816640944 1007146234 /nfs/dbraw/zinc/14/62/34/1007146234.db2.gz CBWRCLYFCDJCEP-SFHVURJKSA-N 1 0 354.450 2.724 20 10 FFCDRO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315679 1007370102 /nfs/dbraw/zinc/37/01/02/1007370102.db2.gz XKSUNTVPGZDVAQ-LJQANCHMSA-N 1 0 363.461 2.939 20 10 FFCDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938315 1007816753 /nfs/dbraw/zinc/81/67/53/1007816753.db2.gz IULIYZZPNSZAQY-QAPCUYQASA-N 1 0 370.497 2.768 20 10 FFCDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000817996937 1007828798 /nfs/dbraw/zinc/82/87/98/1007828798.db2.gz GBUKJWCMJZNBMD-YJBOKZPZSA-N 1 0 370.522 2.872 20 10 FFCDRO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000856596422 1007907933 /nfs/dbraw/zinc/90/79/33/1007907933.db2.gz FPEQYUYXAIFINJ-HXUWFJFHSA-N 1 0 358.486 2.576 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)Nc3cccc(C[NH3+])c3)C2)cc1 ZINC000818636260 1007957347 /nfs/dbraw/zinc/95/73/47/1007957347.db2.gz LVXSYEPBKSXHTP-INIZCTEOSA-N 1 0 354.454 2.802 20 10 FFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc(OC)ccc2O)c1 ZINC000114592909 1007970841 /nfs/dbraw/zinc/97/08/41/1007970841.db2.gz DNIAAOFQWGNXTB-UHFFFAOYSA-N 1 0 357.454 2.852 20 10 FFCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818966633 1007981420 /nfs/dbraw/zinc/98/14/20/1007981420.db2.gz LYHMJOTTYLPUAU-JFIYKMOQSA-N 1 0 368.493 2.562 20 10 FFCDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000818985796 1008000203 /nfs/dbraw/zinc/00/02/03/1008000203.db2.gz ZXXHZGAEOIYFAK-FQEVSTJZSA-N 1 0 368.477 2.801 20 10 FFCDRO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)c1 ZINC000819094560 1008032384 /nfs/dbraw/zinc/03/23/84/1008032384.db2.gz HWSGDBFMDSAAJF-FQEVSTJZSA-N 1 0 354.450 2.903 20 10 FFCDRO Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819120527 1008049254 /nfs/dbraw/zinc/04/92/54/1008049254.db2.gz CADSIYWZODZQJC-OAQYLSRUSA-N 1 0 358.457 2.918 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COc3ccc(C)cc3)C2)cc1 ZINC000819381273 1008128039 /nfs/dbraw/zinc/12/80/39/1008128039.db2.gz XEYQSANBFKVKAG-QUCCMNQESA-N 1 0 370.493 2.859 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000858488945 1008368447 /nfs/dbraw/zinc/36/84/47/1008368447.db2.gz OBFZDBMBEBZGEO-DOTOQJQBSA-N 1 0 365.485 2.510 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c(O)c1C ZINC000858565704 1008383080 /nfs/dbraw/zinc/38/30/80/1008383080.db2.gz XNHLJJJTDRWWFV-PKOBYXMFSA-N 1 0 355.482 2.956 20 10 FFCDRO COCCN(CC[NH+](C)C)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859225885 1008490492 /nfs/dbraw/zinc/49/04/92/1008490492.db2.gz MVCSAHYRKGWAGP-UHFFFAOYSA-N 1 0 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CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889665806 1010045545 /nfs/dbraw/zinc/04/55/45/1010045545.db2.gz YHYUQBNLMGGODJ-OAQYLSRUSA-N 1 0 374.529 2.539 20 10 FFCDRO CCOC1(C)CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000889662732 1010046692 /nfs/dbraw/zinc/04/66/92/1010046692.db2.gz HIKAZUTXCGIQFV-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO Cc1cc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC000863166428 1010121768 /nfs/dbraw/zinc/12/17/68/1010121768.db2.gz ZQTJSDLXOMXJIO-MRXNPFEDSA-N 1 0 355.482 2.679 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cccc(C)c1C)cc2=O ZINC000794640480 1010438952 /nfs/dbraw/zinc/43/89/52/1010438952.db2.gz GVAXAYUSMCJSFS-UHFFFAOYSA-N 1 0 368.437 2.860 20 10 FFCDRO CC(=O)NCC1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000866243215 1010961328 /nfs/dbraw/zinc/96/13/28/1010961328.db2.gz WONBGCAXXUGMIO-PPDQVPDSSA-N 1 0 359.514 2.869 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)[C@@H](C)C1 ZINC000868263162 1011218188 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ZINC001275244695 1012135583 /nfs/dbraw/zinc/13/55/83/1012135583.db2.gz OCIAEWAEEIIMPG-AWEZNQCLSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c1 ZINC001275254352 1012143601 /nfs/dbraw/zinc/14/36/01/1012143601.db2.gz PILPXXHGGDUNPO-SFHVURJKSA-N 1 0 354.397 2.623 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001275254865 1012147340 /nfs/dbraw/zinc/14/73/40/1012147340.db2.gz WVIHDWKKRFABBU-QGZVFWFLSA-N 1 0 372.387 2.920 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3ccc(O)c(C)c3O)C2)C1=O ZINC001275279035 1012191781 /nfs/dbraw/zinc/19/17/81/1012191781.db2.gz GKYZKJKQBVGQHD-RBZFPXEDSA-N 1 0 360.454 2.546 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@H]3CCc4ncsc4C3)CC2)c(OC)c1 ZINC001173145290 1012290970 /nfs/dbraw/zinc/29/09/70/1012290970.db2.gz KDLCCHUHFBAMIC-AWEZNQCLSA-N 1 0 359.495 2.840 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2F)C[C@H](C)O1 ZINC000870869446 1012611961 /nfs/dbraw/zinc/61/19/61/1012611961.db2.gz SHEMYOQCAJVDNH-ZHZCFWQKSA-N 1 0 363.477 2.573 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1 ZINC000870933804 1012643773 /nfs/dbraw/zinc/64/37/73/1012643773.db2.gz XTCCBWCRHZLIGH-RZRMAFQFSA-N 1 0 357.498 2.654 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(CC(F)(F)F)C3=O)C2)cc1 ZINC001275598511 1012676409 /nfs/dbraw/zinc/67/64/09/1012676409.db2.gz QGNSKEMVMSRAAD-QGZVFWFLSA-N 1 0 355.404 2.739 20 10 FFCDRO CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)c(O)c(OC)c1 ZINC001275675225 1012833976 /nfs/dbraw/zinc/83/39/76/1012833976.db2.gz BKMZOCVRNWKZFD-VLIAUNLRSA-N 1 0 362.470 2.862 20 10 FFCDRO CCCCN1CCC2(CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)C1=O ZINC001275676765 1012838314 /nfs/dbraw/zinc/83/83/14/1012838314.db2.gz SCIOMTXYDZPARE-UHFFFAOYSA-N 1 0 362.470 2.721 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000780188652 1017238260 /nfs/dbraw/zinc/23/82/60/1017238260.db2.gz PHHMTBODWAJAJQ-ZWKOTPCHSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)Cc3ccccn3)CC2)cc1 ZINC000924580634 1017361815 /nfs/dbraw/zinc/36/18/15/1017361815.db2.gz WQYQSPBRDWWYRY-LJQANCHMSA-N 1 0 368.525 2.823 20 10 FFCDRO C[C@H]([NH3+])[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000925485035 1017765470 /nfs/dbraw/zinc/76/54/70/1017765470.db2.gz KRHZMALWLCUSAO-NBHGPNQESA-N 1 0 366.509 2.566 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(C[NH3+])c3)cc2F)C[C@H](C)O1 ZINC000827364603 1017780424 /nfs/dbraw/zinc/78/04/24/1017780424.db2.gz JALZHNMQMHTUKZ-GASCZTMLSA-N 1 0 371.456 2.828 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000925852999 1017872670 /nfs/dbraw/zinc/87/26/70/1017872670.db2.gz XNHGHNCZFOKNBR-RYUDHWBXSA-N 1 0 372.387 2.747 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925887191 1017882395 /nfs/dbraw/zinc/88/23/95/1017882395.db2.gz UWKWVZIYHDXJMH-XXHMAFKTSA-N 1 0 354.450 2.889 20 10 FFCDRO Nc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(O)c1 ZINC000827644227 1018554773 /nfs/dbraw/zinc/55/47/73/1018554773.db2.gz QPUABWZNXAGXPT-UHFFFAOYSA-N 1 0 366.465 2.759 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@@H](CCO)C2)c(C)n1-c1ccc(F)cn1 ZINC000827689623 1018612711 /nfs/dbraw/zinc/61/27/11/1018612711.db2.gz DBTSNQZARLWYNT-INIZCTEOSA-N 1 0 359.445 2.905 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2nnc(C3CC3)s2)[NH+](C)C)cc1 ZINC000929230521 1019326471 /nfs/dbraw/zinc/32/64/71/1019326471.db2.gz VXKSZEPZRUDRMJ-HNNXBMFYSA-N 1 0 374.514 2.906 20 10 FFCDRO Cc1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)ccc1N1CCCCC1 ZINC000828808017 1032848647 /nfs/dbraw/zinc/84/86/47/1032848647.db2.gz BMMZSZZFMOOTEF-IBGZPJMESA-N 1 0 359.514 2.746 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000900026896 1020146838 /nfs/dbraw/zinc/14/68/38/1020146838.db2.gz OMMYMBOMOUJVGJ-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CN1CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1CO ZINC000931405603 1020454484 /nfs/dbraw/zinc/45/44/84/1020454484.db2.gz DOUZNUHQCDGZNN-IBGZPJMESA-N 1 0 367.453 2.649 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cc(C3CC3)n(C)n2)[NH+](C)C)cc1 ZINC000931486982 1020487342 /nfs/dbraw/zinc/48/73/42/1020487342.db2.gz OHUFTOFTLUDFLO-SFHVURJKSA-N 1 0 370.501 2.788 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](c4noc(C)n4)C3)cc2)CC1 ZINC000931934512 1020636708 /nfs/dbraw/zinc/63/67/08/1020636708.db2.gz FPVZIWIEQCFHBX-KRWDZBQOSA-N 1 0 356.470 2.983 20 10 FFCDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001074690408 1020667519 /nfs/dbraw/zinc/66/75/19/1020667519.db2.gz ZTOKVVQRRMOGCU-NFBUACBFSA-N 1 0 360.498 2.898 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CCCC[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001217973334 1032927723 /nfs/dbraw/zinc/92/77/23/1032927723.db2.gz IGTWPQIIOBRFQS-ZDUSSCGKSA-N 1 0 351.402 2.997 20 10 FFCDRO CC(C)O[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000903361417 1020805175 /nfs/dbraw/zinc/80/51/75/1020805175.db2.gz SHQYJQFUJRYFEE-OXQOHEQNSA-N 1 0 366.477 2.897 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000933554473 1021030933 /nfs/dbraw/zinc/03/09/33/1021030933.db2.gz QIONLBZWCHBPMJ-UHFFFAOYSA-N 1 0 373.522 2.780 20 10 FFCDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000933564457 1021032566 /nfs/dbraw/zinc/03/25/66/1021032566.db2.gz OBUKKHBWDXDKFD-GOSISDBHSA-N 1 0 356.470 2.669 20 10 FFCDRO Cc1cc(CN2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)no1 ZINC001116443702 1021220512 /nfs/dbraw/zinc/22/05/12/1021220512.db2.gz CTENAVRMXHUUSF-UHFFFAOYSA-N 1 0 370.497 2.528 20 10 FFCDRO Cn1cnc(/C=C/C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000934940136 1021478072 /nfs/dbraw/zinc/47/80/72/1021478072.db2.gz IVDJJJCQXNKOEX-UABRLCRWSA-N 1 0 374.872 2.573 20 10 FFCDRO CC[C@H]([NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC000155661574 1022275809 /nfs/dbraw/zinc/27/58/09/1022275809.db2.gz MRYLVJZHYKDTRN-KRWDZBQOSA-N 1 0 363.502 2.986 20 10 FFCDRO C[N@H+](CCN1CCN(Cc2cc(F)ccc2O)CC1)Cc1ccccc1 ZINC000779015394 1022651084 /nfs/dbraw/zinc/65/10/84/1022651084.db2.gz VBMCFYMEDDILOC-UHFFFAOYSA-N 1 0 357.473 2.781 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3C[C@H](C)[C@H](C)C3)CC2)cc1 ZINC000752830396 1023210838 /nfs/dbraw/zinc/21/08/38/1023210838.db2.gz DOJXLRPIPQEANN-HDICACEKSA-N 1 0 374.529 2.505 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(F)cc1C)cc2=O ZINC000753784050 1023379192 /nfs/dbraw/zinc/37/91/92/1023379192.db2.gz CZUCDXMMNDHABC-UHFFFAOYSA-N 1 0 372.400 2.691 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+]C(C)(C)C(=O)N3CCCC3)cc2)CC1 ZINC000829384584 1033134155 /nfs/dbraw/zinc/13/41/55/1033134155.db2.gz JNFBPTMFTNZMKA-UHFFFAOYSA-N 1 0 359.514 2.792 20 10 FFCDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754359723 1023459674 /nfs/dbraw/zinc/45/96/74/1023459674.db2.gz YMSICTHUJUFINU-UHFFFAOYSA-N 1 0 360.413 2.933 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@H](C)[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218401856 1033139974 /nfs/dbraw/zinc/13/99/74/1033139974.db2.gz IVAZQUHNQATGMX-WCQYABFASA-N 1 0 351.402 2.995 20 10 FFCDRO CNC(=O)COc1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)c1 ZINC000756434705 1023710466 /nfs/dbraw/zinc/71/04/66/1023710466.db2.gz OWLKIRUONPDLNR-LRDDRELGSA-N 1 0 358.413 2.994 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)ccc1OCC(N)=O ZINC000756481907 1023717753 /nfs/dbraw/zinc/71/77/53/1023717753.db2.gz FEVDMALJDDSJPK-SMDDNHRTSA-N 1 0 374.412 2.742 20 10 FFCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC000756593237 1023733151 /nfs/dbraw/zinc/73/31/51/1023733151.db2.gz WXIJAWHFHXRMAG-QZTJIDSGSA-N 1 0 354.498 2.957 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3C[NH2+]CCC3(F)F)ccc(O)c21 ZINC001218446258 1033158803 /nfs/dbraw/zinc/15/88/03/1033158803.db2.gz CIGFFJMUWUVLCM-AWEZNQCLSA-N 1 0 359.328 2.544 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000756865457 1023761212 /nfs/dbraw/zinc/76/12/12/1023761212.db2.gz ZWSOKGRZERUMDE-OALUTQOASA-N 1 0 371.433 2.712 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000757687842 1023847939 /nfs/dbraw/zinc/84/79/39/1023847939.db2.gz IDGPAEITRSPLOT-RDTXWAMCSA-N 1 0 362.493 2.954 20 10 FFCDRO C[NH+](C)CCN(CCc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779502478 1023943969 /nfs/dbraw/zinc/94/39/69/1023943969.db2.gz YJBGBIIYAZJJIA-LUAWRHEFSA-N 1 0 354.450 2.744 20 10 FFCDRO C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccc(N2CCOCC2)cc1 ZINC000779502558 1023944019 /nfs/dbraw/zinc/94/40/19/1023944019.db2.gz GFCUDKOEEXRLTR-KRWDZBQOSA-N 1 0 368.481 2.622 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(O)c(C)c3)cc2F)CC1 ZINC000779515505 1023948517 /nfs/dbraw/zinc/94/85/17/1023948517.db2.gz QJNYPKZPUBDLHV-UHFFFAOYSA-N 1 0 371.456 2.912 20 10 FFCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001276789026 1033202602 /nfs/dbraw/zinc/20/26/02/1033202602.db2.gz PAGLXQJSSURJEA-LBPRGKRZSA-N 1 0 358.360 2.639 20 10 FFCDRO COCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001111481367 1024892792 /nfs/dbraw/zinc/89/27/92/1024892792.db2.gz IPXTVIALZHZYQT-ZACQAIPSSA-N 1 0 373.457 2.611 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)ccc21 ZINC001141143341 1025516311 /nfs/dbraw/zinc/51/63/11/1025516311.db2.gz VOAQAJVDVDQGJF-GOSISDBHSA-N 1 0 357.498 2.740 20 10 FFCDRO CN1CCOc2cc(C[N@H+](C)[C@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21 ZINC001141143676 1025518429 /nfs/dbraw/zinc/51/84/29/1025518429.db2.gz FNXOFPVYROQQTR-INIZCTEOSA-N 1 0 361.486 2.956 20 10 FFCDRO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141146424 1025524699 /nfs/dbraw/zinc/52/46/99/1025524699.db2.gz VBGHBTBZDPNSAN-KRWDZBQOSA-N 1 0 354.454 2.657 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)CN1c1cccc(F)c1 ZINC001141158829 1025540838 /nfs/dbraw/zinc/54/08/38/1025540838.db2.gz OKTDDUVHXFRKRC-HXUWFJFHSA-N 1 0 356.397 2.866 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001141162886 1025546479 /nfs/dbraw/zinc/54/64/79/1025546479.db2.gz JGFZVMFXQNJADD-LBPRGKRZSA-N 1 0 355.316 2.560 20 10 FFCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709340 1025975695 /nfs/dbraw/zinc/97/56/95/1025975695.db2.gz SBCJPUAHBIHMKX-ZDUSSCGKSA-N 1 0 369.456 2.584 20 10 FFCDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000839146509 1026606102 /nfs/dbraw/zinc/60/61/02/1026606102.db2.gz KIEWSKXUSHQOJT-UHFFFAOYSA-N 1 0 363.364 2.999 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000840094393 1026954764 /nfs/dbraw/zinc/95/47/64/1026954764.db2.gz GUFADOIJIRPONY-CQSZACIVSA-N 1 0 362.470 2.972 20 10 FFCDRO CC(C)n1cc(C2=CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)nn1 ZINC000840119975 1026965311 /nfs/dbraw/zinc/96/53/11/1026965311.db2.gz WJSUXYHDSZDALV-IBGZPJMESA-N 1 0 370.453 2.670 20 10 FFCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000840176840 1026997736 /nfs/dbraw/zinc/99/77/36/1026997736.db2.gz FTOMFHPDUVJQDK-FOIQADDNSA-N 1 0 354.450 2.524 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000840257085 1027022533 /nfs/dbraw/zinc/02/25/33/1027022533.db2.gz XLXJVCGGRPJXMY-XKGZKEIXSA-N 1 0 358.530 2.918 20 10 FFCDRO COc1ccc(N2CCN(Cc3cccc4c3OCO4)CC2)c(OC)c1 ZINC001141960623 1027224527 /nfs/dbraw/zinc/22/45/27/1027224527.db2.gz YWWRANNFBRGDNG-UHFFFAOYSA-N 1 0 356.422 2.755 20 10 FFCDRO O=C(CC[C@H]1CCCO1)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126119 1027226392 /nfs/dbraw/zinc/22/63/92/1027226392.db2.gz NSYZPWIKSULRQB-OAQYLSRUSA-N 1 0 371.525 2.794 20 10 FFCDRO Oc1ccc(Br)cc1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001160019215 1027564781 /nfs/dbraw/zinc/56/47/81/1027564781.db2.gz CJBJKHXNCJJJIW-UHFFFAOYSA-N 1 0 363.259 2.571 20 10 FFCDRO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093413310 1027713342 /nfs/dbraw/zinc/71/33/42/1027713342.db2.gz ZTVAMNVIMQEFOQ-LJQANCHMSA-N 1 0 366.509 2.797 20 10 FFCDRO COc1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)ncn1 ZINC001160616983 1027777326 /nfs/dbraw/zinc/77/73/26/1027777326.db2.gz ZWGQFLMXXDJXMI-RTBURBONSA-N 1 0 352.394 2.750 20 10 FFCDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000795707114 1027895095 /nfs/dbraw/zinc/89/50/95/1027895095.db2.gz XRPHXTIQHVTHKG-QGZVFWFLSA-N 1 0 367.405 2.543 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)[C@@](C)([NH3+])CO ZINC001160930109 1027927200 /nfs/dbraw/zinc/92/72/00/1027927200.db2.gz QFJCREGINPSDAQ-QHCPKHFHSA-N 1 0 364.489 2.775 20 10 FFCDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000781003764 1028928009 /nfs/dbraw/zinc/92/80/09/1028928009.db2.gz SFLMEGSWLJPQRU-SFHVURJKSA-N 1 0 370.449 2.982 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cccc([N+](=O)[O-])n3)CC2)cc1 ZINC001156257149 1029114912 /nfs/dbraw/zinc/11/49/12/1029114912.db2.gz ONAAZKBMKZGUBE-UHFFFAOYSA-N 1 0 371.441 2.623 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nccc(SC)n3)CC2)cc1 ZINC001156257116 1029115114 /nfs/dbraw/zinc/11/51/14/1029115114.db2.gz NNVBLWKLZNYWLY-UHFFFAOYSA-N 1 0 373.526 2.831 20 10 FFCDRO COC(=O)c1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC001156650891 1029286164 /nfs/dbraw/zinc/28/61/64/1029286164.db2.gz GFISOZBWORMSCE-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(F)(F)c3nccc(Cl)n3)cc2)CC1 ZINC001156655742 1029289946 /nfs/dbraw/zinc/28/99/46/1029289946.db2.gz IJNYQFXHYCIDHJ-UHFFFAOYSA-N 1 0 367.831 2.721 20 10 FFCDRO CCOc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC001156657221 1029291704 /nfs/dbraw/zinc/29/17/04/1029291704.db2.gz HZJCMNLYWMOWNT-UHFFFAOYSA-N 1 0 371.441 2.752 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc2=O ZINC000782655865 1029775884 /nfs/dbraw/zinc/77/58/84/1029775884.db2.gz YOXUTZSTWLBKHM-GFCCVEGCSA-N 1 0 374.363 2.678 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000840938715 1029934495 /nfs/dbraw/zinc/93/44/95/1029934495.db2.gz FSSCPIXSQSBEDX-UHFFFAOYSA-N 1 0 373.522 2.891 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)cc1 ZINC000841015787 1029977701 /nfs/dbraw/zinc/97/77/01/1029977701.db2.gz IPLVNZGUZLFECK-UHFFFAOYSA-N 1 0 368.481 2.507 20 10 FFCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000783226243 1029980368 /nfs/dbraw/zinc/98/03/68/1029980368.db2.gz YZCOKFWEHVIKDX-MAUKXSAKSA-N 1 0 355.461 2.830 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1c1cccc(F)c1 ZINC000841103436 1030038649 /nfs/dbraw/zinc/03/86/49/1030038649.db2.gz IGCUKYOIBCPFHV-AZUAARDMSA-N 1 0 373.447 2.728 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000783520563 1030135946 /nfs/dbraw/zinc/13/59/46/1030135946.db2.gz APIVJYYLIRPTBL-ZDUSSCGKSA-N 1 0 372.421 2.694 20 10 FFCDRO [NH3+]CCOc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000841324522 1030198571 /nfs/dbraw/zinc/19/85/71/1030198571.db2.gz KCWGRVAVNIODLL-UHFFFAOYSA-N 1 0 355.438 2.930 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000841327174 1030199605 /nfs/dbraw/zinc/19/96/05/1030199605.db2.gz CYSCAEVRZLLOCY-LBPRGKRZSA-N 1 0 357.410 2.766 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000841709736 1030421865 /nfs/dbraw/zinc/42/18/65/1030421865.db2.gz LWVVLBVTPVFOEV-RBUKOAKNSA-N 1 0 356.514 2.818 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1F ZINC000841761204 1030449494 /nfs/dbraw/zinc/44/94/94/1030449494.db2.gz NYOSWGKMDMDROX-UHFFFAOYSA-N 1 0 374.504 2.845 20 10 FFCDRO CCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)C1CC[NH2+]CC1 ZINC000841779824 1030462396 /nfs/dbraw/zinc/46/23/96/1030462396.db2.gz ZODZMBNGMRCGRF-UHFFFAOYSA-N 1 0 374.529 2.838 20 10 FFCDRO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880868 1030518758 /nfs/dbraw/zinc/51/87/58/1030518758.db2.gz JJBSIXHLARMFNN-UIAACRFSSA-N 1 0 352.482 2.950 20 10 FFCDRO C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000841880788 1030519714 /nfs/dbraw/zinc/51/97/14/1030519714.db2.gz HTSSKOJWEMMPIK-MGPUTAFESA-N 1 0 352.482 3.000 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001142513116 1030562206 /nfs/dbraw/zinc/56/22/06/1030562206.db2.gz YCVHYQCYSLFKME-KXBFYZLASA-N 1 0 362.376 2.878 20 10 FFCDRO COc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c1O ZINC001203586122 1030772903 /nfs/dbraw/zinc/77/29/03/1030772903.db2.gz YUDCJZULJODWGZ-ZIAGYGMSSA-N 1 0 354.422 2.838 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1O ZINC001203590483 1030774789 /nfs/dbraw/zinc/77/47/89/1030774789.db2.gz ZJIYBHZJIGKIAG-FBBABVLZSA-N 1 0 370.449 2.744 20 10 FFCDRO COc1cccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)c1O ZINC001203592098 1030775000 /nfs/dbraw/zinc/77/50/00/1030775000.db2.gz CUISSCBCAYPIQW-HKUYNNGSSA-N 1 0 354.450 2.738 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c1O ZINC001203591230 1030775143 /nfs/dbraw/zinc/77/51/43/1030775143.db2.gz DUBCQSOKWNQCAY-UTKZUKDTSA-N 1 0 352.434 2.507 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@@H]1c1ccc(F)cc1 ZINC001203600256 1030781895 /nfs/dbraw/zinc/78/18/95/1030781895.db2.gz ZXPYBUPWYLDDJB-SJORKVTESA-N 1 0 359.397 2.929 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)c1O ZINC001203617869 1030790035 /nfs/dbraw/zinc/79/00/35/1030790035.db2.gz WHDZHJRBAJGJFU-UHFFFAOYSA-N 1 0 355.438 2.580 20 10 FFCDRO COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(OC)cc3O)CC2)cc1 ZINC001203627399 1030791198 /nfs/dbraw/zinc/79/11/98/1030791198.db2.gz BQWDSNCUQBXYFA-UHFFFAOYSA-N 1 0 370.449 2.505 20 10 FFCDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3c2ccccc2)c(O)c1 ZINC001203622883 1030793751 /nfs/dbraw/zinc/79/37/51/1030793751.db2.gz DLQHGDUTZDCSJJ-WIYYLYMNSA-N 1 0 352.434 2.507 20 10 FFCDRO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203628802 1030794889 /nfs/dbraw/zinc/79/48/89/1030794889.db2.gz IPGLOXAWPGSYCK-UHFFFAOYSA-N 1 0 356.422 2.510 20 10 FFCDRO CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(OC)cc3O)CC2)n1 ZINC001203634398 1030799326 /nfs/dbraw/zinc/79/93/26/1030799326.db2.gz DFMIEXUHWBTLHK-UHFFFAOYSA-N 1 0 360.410 2.945 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC001203681431 1030823876 /nfs/dbraw/zinc/82/38/76/1030823876.db2.gz WYYCUBDKAZGKQP-UHFFFAOYSA-N 1 0 358.413 2.934 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)cc1O ZINC001203876342 1030949681 /nfs/dbraw/zinc/94/96/81/1030949681.db2.gz AOTMTVWZQGPMIY-UHFFFAOYSA-N 1 0 354.454 2.770 20 10 FFCDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4ccc(O)c(O)c4)CC[N@@H+]3C2)cc1 ZINC001203879073 1030955457 /nfs/dbraw/zinc/95/54/57/1030955457.db2.gz LGEKPOOFPGCROJ-MJGOQNOKSA-N 1 0 354.450 2.744 20 10 FFCDRO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879949 1030956634 /nfs/dbraw/zinc/95/66/34/1030956634.db2.gz HPKIEBQEUPLFGW-UHFFFAOYSA-N 1 0 356.422 2.501 20 10 FFCDRO CCN(CC)c1ccc(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)cc1 ZINC001203941574 1030997742 /nfs/dbraw/zinc/99/77/42/1030997742.db2.gz CFDDKMDEWKLEOB-UHFFFAOYSA-N 1 0 372.557 2.695 20 10 FFCDRO Oc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)c(O)c1 ZINC001204274812 1031202767 /nfs/dbraw/zinc/20/27/67/1031202767.db2.gz UAJBBQZLGPQBMV-QWFCFKBJSA-N 1 0 356.422 2.694 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC001204327043 1031230190 /nfs/dbraw/zinc/23/01/90/1031230190.db2.gz MHVVHKUQYBSNJO-CEWLAPEOSA-N 1 0 371.525 2.791 20 10 FFCDRO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(O)c1O ZINC001204352097 1031247732 /nfs/dbraw/zinc/24/77/32/1031247732.db2.gz YIAAUPXNUGERRJ-ROUUACIJSA-N 1 0 354.450 2.813 20 10 FFCDRO Cc1nn(C(C)(C)C)c(C)c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298795 1031294023 /nfs/dbraw/zinc/29/40/23/1031294023.db2.gz PWYLDSWMEKWXPJ-QGZVFWFLSA-N 1 0 357.502 2.751 20 10 FFCDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349864 1031341463 /nfs/dbraw/zinc/34/14/63/1031341463.db2.gz KVPZTWURMCGJOX-UHFFFAOYSA-N 1 0 354.410 2.753 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N(C)CCC[NH+]3CCCC3)CC2)cc1 ZINC000798400034 1031391574 /nfs/dbraw/zinc/39/15/74/1031391574.db2.gz RLQCXPCDACHZRH-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000843484986 1031423165 /nfs/dbraw/zinc/42/31/65/1031423165.db2.gz GBBKQSSOLJIXLQ-INIZCTEOSA-N 1 0 355.486 2.603 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC23CC[NH+](CC2)C3)ccc1C ZINC001151416360 1031949271 /nfs/dbraw/zinc/94/92/71/1031949271.db2.gz RZRBFCSTZGGXBP-UHFFFAOYSA-N 1 0 351.450 2.793 20 10 FFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(N4CCC(OC)CC4)cc3)[C@H]2C1 ZINC000830023722 1033431378 /nfs/dbraw/zinc/43/13/78/1033431378.db2.gz OZHURTYZZJHZJE-FCHUYYIVSA-N 1 0 373.541 2.597 20 10 FFCDRO CC[C@H](C)[C@@H]([NH2+]C)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001219002479 1033453395 /nfs/dbraw/zinc/45/33/95/1033453395.db2.gz QUSSWQNTODVRFD-APPDUMDISA-N 1 0 365.433 2.617 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)cc1 ZINC001219203830 1033553664 /nfs/dbraw/zinc/55/36/64/1033553664.db2.gz OKOSIVNEVGMLME-FMEUAVTJSA-N 1 0 351.450 2.584 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])CN3)cc2)cc1 ZINC001219203901 1033554642 /nfs/dbraw/zinc/55/46/42/1033554642.db2.gz PVQOCXNBBGQMAI-LADOFLMKSA-N 1 0 350.466 2.551 20 10 FFCDRO [NH3+]Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000831312298 1034030851 /nfs/dbraw/zinc/03/08/51/1034030851.db2.gz XRKVDDHRHXLVKP-LJQANCHMSA-N 1 0 369.465 2.742 20 10 FFCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC001220212706 1034050331 /nfs/dbraw/zinc/05/03/31/1034050331.db2.gz SUKZFQVAKOYNPI-QGZVFWFLSA-N 1 0 367.836 2.925 20 10 FFCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 ZINC000831578063 1034132024 /nfs/dbraw/zinc/13/20/24/1034132024.db2.gz WEYSGFHFNVSWMS-CVEARBPZSA-N 1 0 369.431 2.985 20 10 FFCDRO Oc1c(C[NH+]2CCN(c3cccnc3)CC2)cc2c3c1CCCN3CCC2 ZINC001138338163 1034167951 /nfs/dbraw/zinc/16/79/51/1034167951.db2.gz LMXHSSGUNWOPQG-UHFFFAOYSA-N 1 0 364.493 2.808 20 10 FFCDRO CN1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)Cc2cccnc21 ZINC001138339354 1034170867 /nfs/dbraw/zinc/17/08/67/1034170867.db2.gz ZNWLMNSHACCIAV-UHFFFAOYSA-N 1 0 364.493 2.938 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)Cc2cnn(C)c21 ZINC001138357332 1034194646 /nfs/dbraw/zinc/19/46/46/1034194646.db2.gz QVAVYZHUHLGABM-LJQANCHMSA-N 1 0 354.498 2.938 20 10 FFCDRO COc1cnc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)nc1 ZINC001138359281 1034194927 /nfs/dbraw/zinc/19/49/27/1034194927.db2.gz PEEJNSOQQDLSMX-KRWDZBQOSA-N 1 0 354.454 2.521 20 10 FFCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(CC)CC)cc3OC)CC[N@@H+]2C1 ZINC001138388511 1034222784 /nfs/dbraw/zinc/22/27/84/1034222784.db2.gz YVSYGURQZSNLGU-VQTJNVASSA-N 1 0 361.530 2.836 20 10 FFCDRO CCN(CC)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)c1 ZINC001138389187 1034225002 /nfs/dbraw/zinc/22/50/02/1034225002.db2.gz LKPRUHGLYIRWOI-HXUWFJFHSA-N 1 0 361.530 2.838 20 10 FFCDRO CCN(CC)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(OC)c1 ZINC001138389312 1034225448 /nfs/dbraw/zinc/22/54/48/1034225448.db2.gz MATSICFHNOPDRI-UHFFFAOYSA-N 1 0 374.573 2.753 20 10 FFCDRO O[C@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138497013 1034335452 /nfs/dbraw/zinc/33/54/52/1034335452.db2.gz XJYGBXUIAOMBMA-QGZVFWFLSA-N 1 0 358.404 2.803 20 10 FFCDRO CC[N@H+](CCOC)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675729 1034535815 /nfs/dbraw/zinc/53/58/15/1034535815.db2.gz JKXOQDXAZSDLOY-UHFFFAOYSA-N 1 0 357.292 2.754 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2Cc3ccccc32)[NH+](C)C)cc1 ZINC001221281849 1034643015 /nfs/dbraw/zinc/64/30/15/1034643015.db2.gz FFUCPIANENLLGV-GHTZIAJQSA-N 1 0 366.509 2.994 20 10 FFCDRO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279898 1034697831 /nfs/dbraw/zinc/69/78/31/1034697831.db2.gz MNMHNXRQTSGKGB-KZULUSFZSA-N 1 0 363.408 2.614 20 10 FFCDRO COc1cc(CCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000832293664 1034707565 /nfs/dbraw/zinc/70/75/65/1034707565.db2.gz ZTJIZXLFCPQNBU-HXUWFJFHSA-N 1 0 371.481 2.519 20 10 FFCDRO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300569 1034714611 /nfs/dbraw/zinc/71/46/11/1034714611.db2.gz ZEKAIRLPKFXOCJ-QVKFZJNVSA-N 1 0 367.493 2.825 20 10 FFCDRO COc1cc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc(C[NH+](C)C)c1O ZINC001139259314 1035031090 /nfs/dbraw/zinc/03/10/90/1035031090.db2.gz QWXDGUCARNCOJG-ZDUSSCGKSA-N 1 0 352.475 2.624 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3[C@H](CO)CCC[C@H]3C(F)(F)F)cc2)CC1 ZINC001139407909 1035092231 /nfs/dbraw/zinc/09/22/31/1035092231.db2.gz GBMLLARJEMZTQC-ROUUACIJSA-N 1 0 371.447 2.716 20 10 FFCDRO CSc1ncc2c(n1)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001139410787 1035095468 /nfs/dbraw/zinc/09/54/68/1035095468.db2.gz DYKJCYLLRGYMOS-UHFFFAOYSA-N 1 0 369.538 2.509 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)ccc1N(C)C ZINC001139673515 1035193887 /nfs/dbraw/zinc/19/38/87/1035193887.db2.gz IYIIUTVHMKMFGA-DLBZAZTESA-N 1 0 363.502 2.521 20 10 FFCDRO COc1cnc(OC2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)nc1 ZINC001139674225 1035194967 /nfs/dbraw/zinc/19/49/67/1035194967.db2.gz PTIJHTPGUZLDID-UHFFFAOYSA-N 1 0 356.470 2.903 20 10 FFCDRO O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054063 1035323425 /nfs/dbraw/zinc/32/34/25/1035323425.db2.gz IRIPGWXNKGLJMQ-HNNXBMFYSA-N 1 0 362.445 2.571 20 10 FFCDRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140054871 1035324950 /nfs/dbraw/zinc/32/49/50/1035324950.db2.gz ZASOTMPKJBHFEN-YLJYHZDGSA-N 1 0 372.444 2.581 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001140055403 1035325112 /nfs/dbraw/zinc/32/51/12/1035325112.db2.gz VXZDWZNEGRRJNU-CYBMUJFWSA-N 1 0 368.206 2.737 20 10 FFCDRO COCCOc1cccc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC001140058925 1035325578 /nfs/dbraw/zinc/32/55/78/1035325578.db2.gz PDISTJVEFAESFN-UHFFFAOYSA-N 1 0 360.429 2.879 20 10 FFCDRO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001140102346 1035342599 /nfs/dbraw/zinc/34/25/99/1035342599.db2.gz MXOIVTYMKJXQPA-LBPRGKRZSA-N 1 0 364.243 2.988 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)c1O ZINC001140180361 1035370055 /nfs/dbraw/zinc/37/00/55/1035370055.db2.gz FSEUPIMTNYBBDN-WIYYLYMNSA-N 1 0 358.482 2.516 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001140282974 1035417619 /nfs/dbraw/zinc/41/76/19/1035417619.db2.gz MHOQHNQTKJRJCG-KSSFIOAISA-N 1 0 372.431 2.783 20 10 FFCDRO OC1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)[C@@H](F)C3)cc2)CC1 ZINC001140287840 1035419944 /nfs/dbraw/zinc/41/99/44/1035419944.db2.gz BXFNLNUYUAZXEW-SFTDATJTSA-N 1 0 361.505 2.656 20 10 FFCDRO OC1CCN(c2ccc(CN3CCO[C@H](c4ccncc4)C3)cc2)CC1 ZINC001140288771 1035420157 /nfs/dbraw/zinc/42/01/57/1035420157.db2.gz ZRNKODNVYWGRQW-NRFANRHFSA-N 1 0 353.466 2.616 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCO[C@H](c4ccncc4)C3)cc2)CC1 ZINC001140306433 1035428193 /nfs/dbraw/zinc/42/81/93/1035428193.db2.gz RVHWKOBYWCZBGA-QFIPXVFZSA-N 1 0 366.509 2.797 20 10 FFCDRO Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4O)C[C@@H]3C2)cn1 ZINC001140466869 1035486301 /nfs/dbraw/zinc/48/63/01/1035486301.db2.gz KFZWTMXKGHMLBK-WBVHZDCISA-N 1 0 360.889 2.733 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)cc1 ZINC000835048332 1035493315 /nfs/dbraw/zinc/49/33/15/1035493315.db2.gz QFMCBRLGOASKOT-GZNAHNRGSA-N 1 0 364.493 2.942 20 10 FFCDRO O=C1[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]2CN1c1ccccc1 ZINC001232259629 1035531196 /nfs/dbraw/zinc/53/11/96/1035531196.db2.gz GTJCRRDLIXMFOY-ZFWWWQNUSA-N 1 0 358.825 2.846 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)c(O)cc3O)C2)CN1c1ccccn1 ZINC001232261371 1035533245 /nfs/dbraw/zinc/53/32/45/1035533245.db2.gz FIYFDFUEMPDSBL-LJQANCHMSA-N 1 0 373.840 2.775 20 10 FFCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4cnsc4)C3)C2=O)cc1 ZINC001277650593 1035605944 /nfs/dbraw/zinc/60/59/44/1035605944.db2.gz WUYATYFLNLANGE-HXUWFJFHSA-N 1 0 370.522 2.834 20 10 FFCDRO O=C1N(C2COC2)CC[C@]12CCC[N@H+]2Cc1ccc2ccccc2c1O ZINC001277222888 1035626344 /nfs/dbraw/zinc/62/63/44/1035626344.db2.gz PIDNMPBYDMORAV-OAQYLSRUSA-N 1 0 352.434 2.511 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2c3ccccc3n(C)c2C(=O)OC)CC1 ZINC001232401214 1035651888 /nfs/dbraw/zinc/65/18/88/1035651888.db2.gz RLTWGZYFUVTFAR-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COC(=O)c1c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c2ccccc2n1C ZINC001232403937 1035652365 /nfs/dbraw/zinc/65/23/65/1035652365.db2.gz GKZGRYOXXGIINZ-FQEVSTJZSA-N 1 0 356.422 2.637 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)c1 ZINC001140619500 1035740059 /nfs/dbraw/zinc/74/00/59/1035740059.db2.gz FRCWTHVTEGMQTF-TZIWHRDSSA-N 1 0 370.449 2.591 20 10 FFCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N3CCOCC3)cc1F)CC2 ZINC001140662914 1035815042 /nfs/dbraw/zinc/81/50/42/1035815042.db2.gz LLFMKBODHSZXNL-UHFFFAOYSA-N 1 0 370.472 2.616 20 10 FFCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1O ZINC001140744972 1036035937 /nfs/dbraw/zinc/03/59/37/1036035937.db2.gz RJMDCFZOEUYUFX-SPLOXXLWSA-N 1 0 367.449 2.676 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)c(O)c1 ZINC001232837251 1036090087 /nfs/dbraw/zinc/09/00/87/1036090087.db2.gz CMBXKGIVIQEJPJ-UHFFFAOYSA-N 1 0 367.493 2.631 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)Cc2cn(CC)nc21 ZINC001232837204 1036091512 /nfs/dbraw/zinc/09/15/12/1036091512.db2.gz BCYSNDIVSCEDCU-KRWDZBQOSA-N 1 0 358.486 2.811 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]12CCN(Cc1ccncc1)C2=O ZINC001277315107 1036193295 /nfs/dbraw/zinc/19/32/95/1036193295.db2.gz GZVFIHGQQYELNY-OAQYLSRUSA-N 1 0 351.450 2.863 20 10 FFCDRO COCC1CC[NH+](Cc2ccc(I)cc2O)CC1 ZINC001232973880 1036201257 /nfs/dbraw/zinc/20/12/57/1036201257.db2.gz CVZKGLVLRGAKLT-UHFFFAOYSA-N 1 0 361.223 2.855 20 10 FFCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(I)cc3O)C2)C1 ZINC001232978275 1036211802 /nfs/dbraw/zinc/21/18/02/1036211802.db2.gz DQMGIQSDTCTHRY-OAHLLOKOSA-N 1 0 372.250 2.524 20 10 FFCDRO CN1C(=O)C2(CC[NH+](Cc3cc(O)c(O)c(O)c3)CC2)[C@H]1c1ccccc1 ZINC001233014259 1036250706 /nfs/dbraw/zinc/25/07/06/1036250706.db2.gz YMXPYQGULSHJRE-LJQANCHMSA-N 1 0 368.433 2.599 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001140852130 1036284767 /nfs/dbraw/zinc/28/47/67/1036284767.db2.gz CRJHLFXKWWFJMD-HDICACEKSA-N 1 0 367.497 2.597 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)c(O)c1 ZINC001140853113 1036287546 /nfs/dbraw/zinc/28/75/46/1036287546.db2.gz MLRZWNZPKYNPNG-HKUYNNGSSA-N 1 0 357.498 2.539 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ncccc3OC)CC2)c(O)c1 ZINC001140856362 1036293022 /nfs/dbraw/zinc/29/30/22/1036293022.db2.gz ZFMDBWCQGUIALM-UHFFFAOYSA-N 1 0 370.497 2.964 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1O ZINC001233107319 1036355182 /nfs/dbraw/zinc/35/51/82/1036355182.db2.gz XMSCXHWWQKNTQH-AWEZNQCLSA-N 1 0 356.260 2.579 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1Br ZINC001233141148 1036389717 /nfs/dbraw/zinc/38/97/17/1036389717.db2.gz BZNXLNNUZRGNRY-ZYHUDNBSSA-N 1 0 354.244 2.964 20 10 FFCDRO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCc2nncn2CC1 ZINC001233194282 1036433024 /nfs/dbraw/zinc/43/30/24/1036433024.db2.gz PSEUGKHZGKGNJA-UHFFFAOYSA-N 1 0 373.254 2.958 20 10 FFCDRO CN(C)c1ccc(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)c(Cl)c1 ZINC001140925079 1036462609 /nfs/dbraw/zinc/46/26/09/1036462609.db2.gz ZVZATDJSGOORDH-OAHLLOKOSA-N 1 0 361.921 2.796 20 10 FFCDRO CCOC(=O)c1c(CN2CC[NH+](CCCOC)CC2)c2ccccc2n1C ZINC001233272242 1036478846 /nfs/dbraw/zinc/47/88/46/1036478846.db2.gz CVDPLSRFSWUDNJ-UHFFFAOYSA-N 1 0 373.497 2.509 20 10 FFCDRO CC[NH+](CC)CCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC001233287365 1036492809 /nfs/dbraw/zinc/49/28/09/1036492809.db2.gz MIJPDYOOVBKVKB-UHFFFAOYSA-N 1 0 355.910 2.514 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)CC[C@H]21 ZINC001233284750 1036493099 /nfs/dbraw/zinc/49/30/99/1036493099.db2.gz GOHYSGILNPOKLN-QUCCMNQESA-N 1 0 360.498 2.901 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1 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COc1cc(O)c(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC001141028329 1036764895 /nfs/dbraw/zinc/76/48/95/1036764895.db2.gz KUHZKROBRAJHTL-QZTJIDSGSA-N 1 0 368.477 2.973 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3nccc(C)n3)C2)c(OC)c1 ZINC001141033067 1036779950 /nfs/dbraw/zinc/77/99/50/1036779950.db2.gz YJQIGNMXSHZMSC-AWEZNQCLSA-N 1 0 359.426 2.551 20 10 FFCDRO CCc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@@H](C)CC)C3)C2)c(O)c1 ZINC001277827078 1036886677 /nfs/dbraw/zinc/88/66/77/1036886677.db2.gz SQAFXNUNTNHDML-KKSFZXQISA-N 1 0 360.498 2.804 20 10 FFCDRO COC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001230309987 1037214937 /nfs/dbraw/zinc/21/49/37/1037214937.db2.gz JFNNCSBIQIBZMF-DAXOMENPSA-N 1 0 361.446 2.515 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)(F)F)C3=O)c(O)c1 ZINC001277943895 1037538356 /nfs/dbraw/zinc/53/83/56/1037538356.db2.gz VMYUBWIIFYBAID-KRWDZBQOSA-N 1 0 371.403 2.587 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H](O)C1 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COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001231853683 1037951219 /nfs/dbraw/zinc/95/12/19/1037951219.db2.gz ZNYFSRTUKQIQSW-FPOVZHCZSA-N 1 0 360.498 2.921 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC001231858662 1037957097 /nfs/dbraw/zinc/95/70/97/1037957097.db2.gz YEWLJZPYVAZQQM-UHFFFAOYSA-N 1 0 356.470 2.903 20 10 FFCDRO Cc1ccc(N2CCO[C@H]3C[N@H+](Cc4cc(Cl)c(C)cc4O)C[C@H]32)nn1 ZINC001231867628 1037963871 /nfs/dbraw/zinc/96/38/71/1037963871.db2.gz OXYIYDSUZYWCRU-AEFFLSMTSA-N 1 0 374.872 2.542 20 10 FFCDRO CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868265 1037966018 /nfs/dbraw/zinc/96/60/18/1037966018.db2.gz SIXYNSDMRUPXFH-SJLPKXTDSA-N 1 0 353.846 2.898 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4CCCN(C)C4)C3)C2)cc1 ZINC001255487540 1037969528 /nfs/dbraw/zinc/96/95/28/1037969528.db2.gz CVDZECCERDNXAF-RBBKRZOGSA-N 1 0 373.541 2.708 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)CN1c1cncnc1 ZINC001231881960 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364.186 2.860 20 10 FFCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236771567 1038253985 /nfs/dbraw/zinc/25/39/85/1038253985.db2.gz RRZDCZKAIGIPKQ-SNVBAGLBSA-N 1 0 358.232 2.635 20 10 FFCDRO Oc1cc(C[NH+]2CCC(n3ccnc3)CC2)c(O)cc1Br ZINC001236771292 1038254821 /nfs/dbraw/zinc/25/48/21/1038254821.db2.gz OSMYTCAUDPRDKG-UHFFFAOYSA-N 1 0 352.232 2.894 20 10 FFCDRO C[NH+](C)C[C@H]1CN(Cc2cc(OCc3ccccc3)ccc2O)CCO1 ZINC001236779598 1038263166 /nfs/dbraw/zinc/26/31/66/1038263166.db2.gz TUYWFQBRUGBMRX-FQEVSTJZSA-N 1 0 356.466 2.734 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)c(O)c1 ZINC001236785898 1038266979 /nfs/dbraw/zinc/26/69/79/1038266979.db2.gz APPGPLCMRIBAEI-CTNGQTDRSA-N 1 0 371.481 2.645 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256051679 1038345153 /nfs/dbraw/zinc/34/51/53/1038345153.db2.gz LMJHUYFCSYIDSH-UHFFFAOYSA-N 1 0 363.259 2.703 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)[C@H]1C ZINC001236927264 1038359695 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/nfs/dbraw/zinc/17/66/70/1040176670.db2.gz XNGIUFJCIOPJGT-GOSISDBHSA-N 1 0 357.450 2.997 20 10 FFCDRO COc1ccc(CNCc2nc(-c3ccc(C[NH+](C)C)cc3)no2)c(O)c1 ZINC001248247959 1040192743 /nfs/dbraw/zinc/19/27/43/1040192743.db2.gz TVTDLHCBJNKQAS-UHFFFAOYSA-N 1 0 368.437 2.802 20 10 FFCDRO O=C(Cc1ccsc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(O)ccc1O ZINC001278745810 1040432304 /nfs/dbraw/zinc/43/23/04/1040432304.db2.gz HQIUNDMCMWMAMY-IRXDYDNUSA-N 1 0 358.463 2.577 20 10 FFCDRO C[C@H]([NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)c1ccccc1O ZINC001253904455 1040441883 /nfs/dbraw/zinc/44/18/83/1040441883.db2.gz BICUDZYSKCKQMZ-YXKWSERDSA-N 1 0 374.391 2.563 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c(O)c1 ZINC001249201356 1040626425 /nfs/dbraw/zinc/62/64/25/1040626425.db2.gz PMOBCOUXFIMOAB-UHFFFAOYSA-N 1 0 372.440 2.565 20 10 FFCDRO CCOC(=O)C1(CC)CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249214672 1040627893 /nfs/dbraw/zinc/62/78/93/1040627893.db2.gz PPWHLZFELHUYHZ-UHFFFAOYSA-N 1 0 363.454 2.663 20 10 FFCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249244758 1040646469 /nfs/dbraw/zinc/64/64/69/1040646469.db2.gz MLYJLLAKUSYQRX-HNNXBMFYSA-N 1 0 373.449 2.921 20 10 FFCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CCN(c4cncnc4)CC3)ccc2O1 ZINC001249252492 1040654770 /nfs/dbraw/zinc/65/47/70/1040654770.db2.gz LOBZHOIJKCOFBR-UHFFFAOYSA-N 1 0 352.438 2.689 20 10 FFCDRO CC(C)C(C)(C)CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001213540023 1040657542 /nfs/dbraw/zinc/65/75/42/1040657542.db2.gz SBUKXCCCFHSTRF-UHFFFAOYSA-N 1 0 367.559 2.540 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c1 ZINC001249725848 1040962714 /nfs/dbraw/zinc/96/27/14/1040962714.db2.gz RWXOWXHKOZOMJN-HXUWFJFHSA-N 1 0 365.470 2.851 20 10 FFCDRO COC(=O)c1cccc(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c1O ZINC001249823671 1041021399 /nfs/dbraw/zinc/02/13/99/1041021399.db2.gz COSVERZVJQYZGW-UHFFFAOYSA-N 1 0 373.409 2.764 20 10 FFCDRO CC(=O)Nc1ccc(O)c(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c1 ZINC001249825252 1041021670 /nfs/dbraw/zinc/02/16/70/1041021670.db2.gz NLPFOCLNEWGHSB-UHFFFAOYSA-N 1 0 372.425 2.936 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3OCCN(CCCC(F)(F)F)[C@H]3C2)c1 ZINC001278570728 1041213738 /nfs/dbraw/zinc/21/37/38/1041213738.db2.gz KLHGLOAWGXUJOJ-RDJZCZTQSA-N 1 0 374.403 2.628 20 10 FFCDRO CN(C)c1cc(F)c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC001261814060 1041432618 /nfs/dbraw/zinc/43/26/18/1041432618.db2.gz ODXUUCGCNHKUEZ-UYAOXDASSA-N 1 0 367.484 2.888 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(N)cc[nH+]3)ccc21 ZINC001262048389 1041530657 /nfs/dbraw/zinc/53/06/57/1041530657.db2.gz RBODYNDHWRXOFH-UHFFFAOYSA-N 1 0 352.438 2.812 20 10 FFCDRO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262350861 1041651065 /nfs/dbraw/zinc/65/10/65/1041651065.db2.gz IHNRVEXBHIPTAF-JLTOFOAXSA-N 1 0 371.529 2.690 20 10 FFCDRO COc1nccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1F ZINC001262480810 1041699351 /nfs/dbraw/zinc/69/93/51/1041699351.db2.gz XAOICLVZLMWHGO-UHFFFAOYSA-N 1 0 359.445 2.728 20 10 FFCDRO CC(C)C[NH2+]Cc1ccc(N(C)S(=O)(=O)Cc2ccc(N)cc2)cc1 ZINC001215744646 1041870852 /nfs/dbraw/zinc/87/08/52/1041870852.db2.gz FQGVBTAKXRZRCP-UHFFFAOYSA-N 1 0 361.511 2.981 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001263102030 1042104867 /nfs/dbraw/zinc/10/48/67/1042104867.db2.gz JAYYZJYHYFPKLG-RBSFLKMASA-N 1 0 367.440 2.619 20 10 FFCDRO Oc1ccc(F)cc1CN1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001279197333 1042941877 /nfs/dbraw/zinc/94/18/77/1042941877.db2.gz RBKZHLTYCDUSKT-HXUWFJFHSA-N 1 0 358.461 2.716 20 10 FFCDRO c1n[nH]cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001279230443 1042956370 /nfs/dbraw/zinc/95/63/70/1042956370.db2.gz GPCCEONBJCMQEU-SFTDATJTSA-N 1 0 351.498 2.859 20 10 FFCDRO Cc1cc(CN2CC3(C2)CCC[N@H+](Cc2cccc(C)c2O)C3)n(C)n1 ZINC001279291055 1042986210 /nfs/dbraw/zinc/98/62/10/1042986210.db2.gz XAUNFAIXYOXYNY-UHFFFAOYSA-N 1 0 354.498 2.841 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001237214392 1043054976 /nfs/dbraw/zinc/05/49/76/1043054976.db2.gz GFBKMCJRBGGZEW-WIYYLYMNSA-N 1 0 364.530 2.974 20 10 FFCDRO COc1ccc(Br)c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237401211 1043142068 /nfs/dbraw/zinc/14/20/68/1043142068.db2.gz CAOOGFHOZFJBFH-BXUZGUMPSA-N 1 0 355.276 2.737 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001237486710 1043198405 /nfs/dbraw/zinc/19/84/05/1043198405.db2.gz SVPQVOMPRKUPDI-QRWLVFNGSA-N 1 0 358.413 2.762 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@H]3C[N@H+](Cc4c(C)cccc4O)CCN3C2)n1 ZINC001237486096 1043199047 /nfs/dbraw/zinc/19/90/47/1043199047.db2.gz NWVTZMJFNIJOMX-PMACEKPBSA-N 1 0 367.493 2.879 20 10 FFCDRO O=C1NCC2(CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)N1 ZINC001237649181 1043292478 /nfs/dbraw/zinc/29/24/78/1043292478.db2.gz IWBCCJUCZGZQSL-UHFFFAOYSA-N 1 0 355.413 2.846 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)c(O)c(OC)c1 ZINC001237674242 1043303127 /nfs/dbraw/zinc/30/31/27/1043303127.db2.gz PFQQLORJKBIAJO-YJBOKZPZSA-N 1 0 368.433 2.504 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(O)c(OC)c1 ZINC001237676534 1043305572 /nfs/dbraw/zinc/30/55/72/1043305572.db2.gz PNPYUEAJBORPHR-UHFFFAOYSA-N 1 0 372.465 2.878 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)n1 ZINC001237678301 1043307883 /nfs/dbraw/zinc/30/78/83/1043307883.db2.gz MNHJPTBHAPUXAC-UHFFFAOYSA-N 1 0 373.453 2.525 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)C1=O ZINC001237687318 1043314845 /nfs/dbraw/zinc/31/48/45/1043314845.db2.gz ZHPIFCCOPDBHKQ-LJQANCHMSA-N 1 0 366.889 2.815 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCCS3(=O)=O)CC2)c1O ZINC001237690326 1043315474 /nfs/dbraw/zinc/31/54/74/1043315474.db2.gz WETNUQLUGBILRS-UHFFFAOYSA-N 1 0 372.918 2.744 20 10 FFCDRO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1cccc(Cl)c1 ZINC001237746487 1043337422 /nfs/dbraw/zinc/33/74/22/1043337422.db2.gz QQIDMCHQKRLXJJ-UHFFFAOYSA-N 1 0 351.859 2.550 20 10 FFCDRO O=S(=O)(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc2c(c1)CCCC2 ZINC001237746176 1043338142 /nfs/dbraw/zinc/33/81/42/1043338142.db2.gz NPNPXDYOIQKAFU-UHFFFAOYSA-N 1 0 371.506 2.776 20 10 FFCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cccc(I)c2O)C1 ZINC001237784292 1043356516 /nfs/dbraw/zinc/35/65/16/1043356516.db2.gz SZJNZVMHZJPBRS-ZDUSSCGKSA-N 1 0 372.250 2.665 20 10 FFCDRO CC(C)[NH+]1CCN(Cc2cccc(I)c2O)CC1 ZINC001237788500 1043357535 /nfs/dbraw/zinc/35/75/35/1043357535.db2.gz ZYCUTAIYQKLEFM-UHFFFAOYSA-N 1 0 360.239 2.523 20 10 FFCDRO COCCN1C(=O)CCC12CC[NH+](Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237811589 1043374224 /nfs/dbraw/zinc/37/42/24/1043374224.db2.gz AUSYIXGSOGKDKP-UHFFFAOYSA-N 1 0 370.852 2.788 20 10 FFCDRO CCOC(=O)COc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001237917317 1043432848 /nfs/dbraw/zinc/43/28/48/1043432848.db2.gz WDRUMSLFZDESFF-UHFFFAOYSA-N 1 0 371.433 2.988 20 10 FFCDRO COc1cc(O)c(CN2CCCC3(C[NH+](C)C3)C2)c(Br)c1 ZINC001279673229 1043443136 /nfs/dbraw/zinc/44/31/36/1043443136.db2.gz KLCKCJYWTKIVSJ-UHFFFAOYSA-N 1 0 355.276 2.691 20 10 FFCDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](c4cccnc4)C(=O)N3)CC2)c1O ZINC001238060401 1043505751 /nfs/dbraw/zinc/50/57/51/1043505751.db2.gz HULODIVUPPIPMX-GOSISDBHSA-N 1 0 369.440 2.873 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cn[nH]c3)CC2)cc1 ZINC001279743073 1043570436 /nfs/dbraw/zinc/57/04/36/1043570436.db2.gz GENXHWQGXBXJLU-SFHVURJKSA-N 1 0 353.470 2.717 20 10 FFCDRO COc1ccc(N2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c(OC)c1 ZINC001279759077 1043597085 /nfs/dbraw/zinc/59/70/85/1043597085.db2.gz NQHNXUJKXJFABJ-OAQYLSRUSA-N 1 0 361.530 2.948 20 10 FFCDRO COc1ccc(N2CCC[C@]3(CCC[N@H+](CC(=O)N(C)C)C3)C2)cc1F ZINC001279761495 1043601709 /nfs/dbraw/zinc/60/17/09/1043601709.db2.gz BUPOJXFWNSMFBJ-FQEVSTJZSA-N 1 0 363.477 2.605 20 10 FFCDRO CC(C)(C)NC(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2O1 ZINC001279982579 1044031650 /nfs/dbraw/zinc/03/16/50/1044031650.db2.gz TZLATMVAQSWIIB-UNEWFSDZSA-N 1 0 366.889 2.940 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001280028786 1044105361 /nfs/dbraw/zinc/10/53/61/1044105361.db2.gz YGENOMFQTFIMPZ-HXUWFJFHSA-N 1 0 366.477 2.748 20 10 FFCDRO COCCN(C)C(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001280046001 1044133373 /nfs/dbraw/zinc/13/33/73/1044133373.db2.gz FGBNDXOBPDSTSB-NQIIRXRSSA-N 1 0 360.498 2.798 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C3CC(F)(F)C3)C2)c(O)c1 ZINC001280047132 1044133813 /nfs/dbraw/zinc/13/38/13/1044133813.db2.gz YZPNJUDLDCHTBA-RDTXWAMCSA-N 1 0 350.409 2.779 20 10 FFCDRO CN(C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2)C1CC(F)(F)C1 ZINC001280298621 1044565455 /nfs/dbraw/zinc/56/54/55/1044565455.db2.gz PFFGSCDYZMDHBM-SJKOYZFVSA-N 1 0 354.372 2.609 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N[C@H](C)c4ncc[nH]4)(C2)C3)c1O ZINC001280345952 1044635435 /nfs/dbraw/zinc/63/54/35/1044635435.db2.gz LPSKBLMZIPFLGJ-WPUWVODUSA-N 1 0 354.454 2.622 20 10 FFCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)SCC[C@H]3C(=O)N2CC=CC2)c1O ZINC001280349482 1044639669 /nfs/dbraw/zinc/63/96/69/1044639669.db2.gz IYBBBGRDZAEYTE-KRWDZBQOSA-N 1 0 358.507 2.715 20 10 FFCDRO CC[NH+](CC)C1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC001320601434 1045435170 /nfs/dbraw/zinc/43/51/70/1045435170.db2.gz BNEXYLDSTZTMOO-UHFFFAOYSA-N 1 0 366.418 2.614 20 10 FFCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001323930395 1045781298 /nfs/dbraw/zinc/78/12/98/1045781298.db2.gz MEGOTTOBSUBHHP-SFHVURJKSA-N 1 0 369.469 2.502 20 10 FFCDRO CC(C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C1(CO)CCC1 ZINC001324113992 1045871900 /nfs/dbraw/zinc/87/19/00/1045871900.db2.gz SSYMTRIOHWUMHB-FQEVSTJZSA-N 1 0 363.521 2.854 20 10 FFCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC001324538242 1046090807 /nfs/dbraw/zinc/09/08/07/1046090807.db2.gz YJIDNZSXSGXCNF-RYUDHWBXSA-N 1 0 358.232 2.595 20 10 FFCDRO Cc1cc(F)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC001288334446 1047448658 /nfs/dbraw/zinc/44/86/58/1047448658.db2.gz HTSQKPWPJUBDSR-UHFFFAOYSA-N 1 0 359.420 2.955 20 10 FFCDRO Cn1c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc2ccccc21 ZINC001288334770 1047449106 /nfs/dbraw/zinc/44/91/06/1047449106.db2.gz PSPDYOPECMXFCY-UHFFFAOYSA-N 1 0 362.477 2.860 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3noc4c3CCCCC4)cc2)CC1 ZINC001288334814 1047449630 /nfs/dbraw/zinc/44/96/30/1047449630.db2.gz QZNFFRSEXMDPAK-UHFFFAOYSA-N 1 0 368.481 2.625 20 10 FFCDRO CN1CCN(c2ccc(CN3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC001332340029 1048353675 /nfs/dbraw/zinc/35/36/75/1048353675.db2.gz UYXUBOWWYRWWMT-CTNGQTDRSA-N 1 0 360.521 2.684 20 10 FFCDRO C[NH2+][C@H](C)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001328725707 1048437705 /nfs/dbraw/zinc/43/77/05/1048437705.db2.gz QKADSMGTSLODKA-CYBMUJFWSA-N 1 0 370.444 2.554 20 10 FFCDRO CC(C)(C)[NH+]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC001329288621 1048653933 /nfs/dbraw/zinc/65/39/33/1048653933.db2.gz VWRSODFQVHKUFA-UHFFFAOYSA-N 1 0 358.511 2.872 20 10 FFCDRO CCC/C=C/[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001295119949 1049884898 /nfs/dbraw/zinc/88/48/98/1049884898.db2.gz VGJBOYKSCRWETB-KTBYTZPXSA-N 1 0 371.525 2.552 20 10 FFCDRO CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001295119951 1049885174 /nfs/dbraw/zinc/88/51/74/1049885174.db2.gz VGJBOYKSCRWETB-OLEQZPESSA-N 1 0 371.525 2.552 20 10 FFCDRO CCOc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC001295273044 1049912948 /nfs/dbraw/zinc/91/29/48/1049912948.db2.gz TWXFNPQZJQRIDY-SFHVURJKSA-N 1 0 359.514 2.998 20 10 FFCDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001341568794 1050195272 /nfs/dbraw/zinc/19/52/72/1050195272.db2.gz FUAWBHWBPOHHGC-IBGZPJMESA-N 1 0 362.537 2.884 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CCCC1 ZINC001303801364 1051449888 /nfs/dbraw/zinc/44/98/88/1051449888.db2.gz MSYBSDFLFWREHF-KBXCAEBGSA-N 1 0 355.482 2.738 20 10 FFCDRO CCc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001306195842 1052061360 /nfs/dbraw/zinc/06/13/60/1052061360.db2.gz UIEHJTDTIAUXRS-UHFFFAOYSA-N 1 0 370.545 2.794 20 10 FFCDRO C[C@H](N)c1nc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC001343527642 1052284678 /nfs/dbraw/zinc/28/46/78/1052284678.db2.gz URMKCPHWQIPCGB-JSGCOSHPSA-N 1 0 361.467 2.690 20 10 FFCDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H]1C ZINC001307995743 1052380396 /nfs/dbraw/zinc/38/03/96/1052380396.db2.gz FHHRSCKPLONGRC-KKSFZXQISA-N 1 0 360.498 2.933 20 10 FFCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC001308227668 1052434148 /nfs/dbraw/zinc/43/41/48/1052434148.db2.gz ODCFDWJREDTTCE-HXUWFJFHSA-N 1 0 361.555 2.584 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC001308284410 1052441748 /nfs/dbraw/zinc/44/17/48/1052441748.db2.gz BJNLHYAZRBZEDC-GOSISDBHSA-N 1 0 355.486 2.552 20 10 FFCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC001308290792 1052442738 /nfs/dbraw/zinc/44/27/38/1052442738.db2.gz XOGUYISRMXMLAR-LAUBAEHRSA-N 1 0 365.477 2.807 20 10 FFCDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001346584157 1053128441 /nfs/dbraw/zinc/12/84/41/1053128441.db2.gz LHNKZRIWJGPXOQ-FBBABVLZSA-N 1 0 373.497 2.615 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H](O)COCc3ccccc3F)C2)cc1 ZINC001335411650 1053344847 /nfs/dbraw/zinc/34/48/47/1053344847.db2.gz ARFDQQXGZQLBTJ-PKOBYXMFSA-N 1 0 374.456 2.580 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NCc2ccc(N)cc2)cc1 ZINC001335929827 1053650341 /nfs/dbraw/zinc/65/03/41/1053650341.db2.gz PFOTXINABKBFNN-UHFFFAOYSA-N 1 0 370.497 2.989 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])CC2)cc1 ZINC001336783698 1054222628 /nfs/dbraw/zinc/22/26/28/1054222628.db2.gz MDGASWUFXXMGHJ-IERDGZPVSA-N 1 0 372.513 2.577 20 10 FFCDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001337007178 1054406917 /nfs/dbraw/zinc/40/69/17/1054406917.db2.gz LVGKUWMVEXTBMP-OLMNPRSZSA-N 1 0 370.522 2.823 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)CC1 ZINC001356630274 1055626732 /nfs/dbraw/zinc/62/67/32/1055626732.db2.gz WIGMKJRQSFFFOM-RBUKOAKNSA-N 1 0 356.514 2.674 20 10 FFCDRO Nc1ccc(CC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001353147792 1056122959 /nfs/dbraw/zinc/12/29/59/1056122959.db2.gz CVNAXFMOUXIWNG-HXUWFJFHSA-N 1 0 350.466 2.734 20 10 FFCDRO CCC(CC)(CO)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000847641623 1056252661 /nfs/dbraw/zinc/25/26/61/1056252661.db2.gz YUJOBCYLKGEOOZ-UHFFFAOYSA-N 1 0 373.541 2.634 20 10 FFCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847696589 1056384800 /nfs/dbraw/zinc/38/48/00/1056384800.db2.gz RXLWWLJDCRATLC-QAPCUYQASA-N 1 0 354.450 2.667 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC001353605292 1056571679 /nfs/dbraw/zinc/57/16/79/1056571679.db2.gz RCEPPHRMOLWPBM-HNNXBMFYSA-N 1 0 370.287 2.827 20 10 FFCDRO Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000848305900 1059682284 /nfs/dbraw/zinc/68/22/84/1059682284.db2.gz JZVTZFYEWNJEJY-VQTJNVASSA-N 1 0 367.493 2.602 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](NC(=O)[C@]23C[C@H]2COC3)C(C)(C)C)cc1C ZINC001507947575 1059763709 /nfs/dbraw/zinc/76/37/09/1059763709.db2.gz BBVYEAXERCGYOS-MDKPJZGXSA-N 1 0 360.498 2.661 20 10 FFCDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000848561532 1060280379 /nfs/dbraw/zinc/28/03/79/1060280379.db2.gz XYNSXKGFGFEXQK-FQEVSTJZSA-N 1 0 351.450 2.566 20 10 FFCDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461227052 1061257570 /nfs/dbraw/zinc/25/75/70/1061257570.db2.gz BAUQBEICSYPUEB-SFHVURJKSA-N 1 0 366.509 2.707 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3nccc4occc43)cc2)CC1 ZINC001462485697 1061644351 /nfs/dbraw/zinc/64/43/51/1061644351.db2.gz JOTWVBJPSPKMOB-UHFFFAOYSA-N 1 0 350.422 2.510 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc(N(C)C)c(F)c2)[NH+](C)C)cc1 ZINC001463279512 1062028634 /nfs/dbraw/zinc/02/86/34/1062028634.db2.gz IVQIMUJJMNUYJC-FQEVSTJZSA-N 1 0 372.488 2.990 20 10 FFCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001464600347 1062708635 /nfs/dbraw/zinc/70/86/35/1062708635.db2.gz CUJQNLZWGJOTLS-LJQANCHMSA-N 1 0 359.514 2.602 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)[NH+](C)C)cc1 ZINC001439961220 1063240942 /nfs/dbraw/zinc/24/09/42/1063240942.db2.gz PZBYSJQLYBTQTO-HXUWFJFHSA-N 1 0 354.498 2.851 20 10 FFCDRO Cc1cc(CCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001470969539 1064511933 /nfs/dbraw/zinc/51/19/33/1064511933.db2.gz XBZHNPIFAHWCSW-PZJWPPBQSA-N 1 0 366.509 2.982 20 10 FFCDRO CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001471565836 1064717443 /nfs/dbraw/zinc/71/74/43/1064717443.db2.gz WJERAAJESCOVBT-PXNSSMCTSA-N 1 0 361.530 2.632 20 10 FFCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)cc1 ZINC001473296418 1065237046 /nfs/dbraw/zinc/23/70/46/1065237046.db2.gz OIGPRJXHCXCFMD-IBGZPJMESA-N 1 0 362.514 2.654 20 10 FFCDRO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)N1CCCC[C@H]1C ZINC001473933212 1065421728 /nfs/dbraw/zinc/42/17/28/1065421728.db2.gz JEMYGAAUVUSLRX-QZTJIDSGSA-N 1 0 362.537 2.930 20 10 FFCDRO CCCn1cc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)c(C)n1 ZINC001473961649 1065427659 /nfs/dbraw/zinc/42/76/59/1065427659.db2.gz LGQRDBSADSQCPZ-UHFFFAOYSA-N 1 0 371.529 2.522 20 10 FFCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001474258393 1065479367 /nfs/dbraw/zinc/47/93/67/1065479367.db2.gz GRNSXWQVYLQMIP-YLJYHZDGSA-N 1 0 369.421 2.579 20 10 FFCDRO COc1cc(C)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(O)c1 ZINC001474643246 1065567703 /nfs/dbraw/zinc/56/77/03/1065567703.db2.gz ZYYYTFHUDOGOOY-UHFFFAOYSA-N 1 0 356.466 2.960 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)c1O ZINC001474718024 1065588782 /nfs/dbraw/zinc/58/87/82/1065588782.db2.gz GNYZIRQGJTYMCZ-UHFFFAOYSA-N 1 0 352.438 2.859 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001576809454 1078277327 /nfs/dbraw/zinc/27/73/27/1078277327.db2.gz YPTHHRPHJSHMPX-VQIMIIECSA-N 1 0 352.482 2.836 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC001578425401 1078473177 /nfs/dbraw/zinc/47/31/77/1078473177.db2.gz BWRUWNHMPUTGBC-LBPRGKRZSA-N 1 0 353.335 2.626 20 10 FFCDRO Oc1c(F)cc(Br)cc1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001580885613 1078884408 /nfs/dbraw/zinc/88/44/08/1078884408.db2.gz HGTGBSXAZOLLGJ-UHFFFAOYSA-N 1 0 352.207 2.947 20 10 FFCDRO Cc1cc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)ccc1N(C)C ZINC001559946302 1076205128 /nfs/dbraw/zinc/20/51/28/1076205128.db2.gz PSUFJISZKHWUML-LJQANCHMSA-N 1 0 363.571 2.701 20 10 FFCDRO COc1ccc(C[NH2+]CCNc2cccc(C)n2)cc1Cn1cccn1 ZINC001560599464 1076282803 /nfs/dbraw/zinc/28/28/03/1076282803.db2.gz SGDMPCMQCYRXSK-UHFFFAOYSA-N 1 0 351.454 2.845 20 10 FFCDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1C ZINC001568923221 1077118955 /nfs/dbraw/zinc/11/89/55/1077118955.db2.gz MPHXOBMLAFLYDH-FPMVPNIMSA-N 1 0 365.477 2.964 20 10 FFCDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)cc1 ZINC001620623625 1126241190 /nfs/dbraw/zinc/24/11/90/1126241190.db2.gz CSQSDVRIYIZIMQ-HXUWFJFHSA-N 1 0 361.413 2.826 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000090803354 507936946 /nfs/dbraw/zinc/93/69/46/507936946.db2.gz GRCBMQBYDPWPQE-SJLPKXTDSA-N 1 0 370.472 2.987 20 10 FFCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000079437288 507962414 /nfs/dbraw/zinc/96/24/14/507962414.db2.gz AURGYYOQQJZWJX-UHFFFAOYSA-N 1 0 362.445 2.958 20 10 FFCDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109770811 507986093 /nfs/dbraw/zinc/98/60/93/507986093.db2.gz NYBDYPQJNKDSFQ-GFCCVEGCSA-N 1 0 359.382 2.768 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000081023044 508126781 /nfs/dbraw/zinc/12/67/81/508126781.db2.gz KDNBYVOEXYJGCC-FQEVSTJZSA-N 1 0 359.514 2.602 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000083189703 508240281 /nfs/dbraw/zinc/24/02/81/508240281.db2.gz VPOJQGPJTYVIBZ-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000156679699 508461957 /nfs/dbraw/zinc/46/19/57/508461957.db2.gz IXKPAKGGUBLOLR-GOSISDBHSA-N 1 0 354.450 2.669 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C(C)C)N3CCOCC3)CC2)cc1 ZINC000120090282 508925900 /nfs/dbraw/zinc/92/59/00/508925900.db2.gz AXJKHWZEMSVWKC-NRFANRHFSA-N 1 0 361.530 2.610 20 10 FFCDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000151098362 508955637 /nfs/dbraw/zinc/95/56/37/508955637.db2.gz NNIOHWGQQWUWAX-OAHLLOKOSA-N 1 0 363.477 2.571 20 10 FFCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151588237 509048081 /nfs/dbraw/zinc/04/80/81/509048081.db2.gz BLSZPNIKRRTIPX-QGZVFWFLSA-N 1 0 361.530 2.632 20 10 FFCDRO C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000185578085 509246980 /nfs/dbraw/zinc/24/69/80/509246980.db2.gz NENVJNZNEFAEKB-AWEZNQCLSA-N 1 0 354.450 2.986 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000182888418 509478298 /nfs/dbraw/zinc/47/82/98/509478298.db2.gz OSPAEJVIAXKNMY-ZBFHGGJFSA-N 1 0 361.486 2.853 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000165412847 509571121 /nfs/dbraw/zinc/57/11/21/509571121.db2.gz DHXRKBIYRXGGQP-MGPUTAFESA-N 1 0 371.456 2.615 20 10 FFCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264573292 509608375 /nfs/dbraw/zinc/60/83/75/509608375.db2.gz SODMEWWUEQCHTJ-VHTFYLNKSA-N 1 0 369.509 2.623 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000180493376 509955184 /nfs/dbraw/zinc/95/51/84/509955184.db2.gz ANKQQEKGWFZSOG-GFCCVEGCSA-N 1 0 352.431 2.632 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000177365758 510015779 /nfs/dbraw/zinc/01/57/79/510015779.db2.gz XPUPIHJPGUIHTA-UHFFFAOYSA-N 1 0 352.862 2.545 20 10 FFCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187151392 510089575 /nfs/dbraw/zinc/08/95/75/510089575.db2.gz MPJJIWJUZCHSFI-SNVBAGLBSA-N 1 0 350.278 2.548 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)CC1 ZINC000184268049 510229767 /nfs/dbraw/zinc/22/97/67/510229767.db2.gz LJKXHEQFZFQDFN-UHFFFAOYSA-N 1 0 354.410 2.989 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC000177947762 510342459 /nfs/dbraw/zinc/34/24/59/510342459.db2.gz UYKCVKWIJYNRNU-QUCCMNQESA-N 1 0 356.514 2.913 20 10 FFCDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000184979243 510613404 /nfs/dbraw/zinc/61/34/04/510613404.db2.gz NVSCZDMHZNEQHE-AWEZNQCLSA-N 1 0 366.527 2.736 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cc(-c4cnn(C)c4)no3)CC2)cc1 ZINC000184985807 510618390 /nfs/dbraw/zinc/61/83/90/510618390.db2.gz MVRGKEUHUZCCMY-UHFFFAOYSA-N 1 0 367.453 2.796 20 10 FFCDRO COCCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185144584 510710180 /nfs/dbraw/zinc/71/01/80/510710180.db2.gz NGZZYXFYKYRPNF-GFCCVEGCSA-N 1 0 357.292 2.916 20 10 FFCDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc2ccccc2c1O ZINC000185256561 510775777 /nfs/dbraw/zinc/77/57/77/510775777.db2.gz QRWVOCOVMVXXRZ-CQSZACIVSA-N 1 0 362.495 2.868 20 10 FFCDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263666347 510777911 /nfs/dbraw/zinc/77/79/11/510777911.db2.gz IPAJALOIHFXTPR-UHFFFAOYSA-N 1 0 374.506 2.820 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(NC(N)=O)c3)c2)CC1 ZINC000185284949 510791235 /nfs/dbraw/zinc/79/12/35/510791235.db2.gz MBKPFVOISVNFIR-UHFFFAOYSA-N 1 0 367.453 2.571 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000185375019 510827778 /nfs/dbraw/zinc/82/77/78/510827778.db2.gz CHWWNOAETPUCNW-VXGBXAGGSA-N 1 0 353.365 2.770 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)[C@@H](C)C1 ZINC000247312194 510856558 /nfs/dbraw/zinc/85/65/58/510856558.db2.gz WCWOATOGDFSNGF-WMZOPIPTSA-N 1 0 363.502 2.671 20 10 FFCDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c(F)ccc(O)c1O ZINC000276535046 510939705 /nfs/dbraw/zinc/93/97/05/510939705.db2.gz FOJBHEMKZBTTFL-LBPRGKRZSA-N 1 0 364.442 2.940 20 10 FFCDRO COc1cccc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)n1 ZINC000276669068 510944118 /nfs/dbraw/zinc/94/41/18/510944118.db2.gz IYZFSGMNYHDWAD-LCYFTJDESA-N 1 0 365.524 2.879 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364590326 510958247 /nfs/dbraw/zinc/95/82/47/510958247.db2.gz RJFGBOVEINXUPF-CZUORRHYSA-N 1 0 353.260 2.503 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1CCC(F)(F)CC1)cc2=O ZINC000287062164 511039678 /nfs/dbraw/zinc/03/96/78/511039678.db2.gz UZQRZJJUYUDQLJ-UHFFFAOYSA-N 1 0 368.384 2.621 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CCCOCC1 ZINC000289382656 511099859 /nfs/dbraw/zinc/09/98/59/511099859.db2.gz CTLXOZGSUDOSAM-UHFFFAOYSA-N 1 0 356.466 2.783 20 10 FFCDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000282784504 511109857 /nfs/dbraw/zinc/10/98/57/511109857.db2.gz PSOXKYZASGHSNR-SFHVURJKSA-N 1 0 362.514 2.886 20 10 FFCDRO COc1cccc(C[NH2+]C[C@](C)(O)Cc2ccc(OC)c(OC)c2)c1O ZINC000289826220 511116350 /nfs/dbraw/zinc/11/63/50/511116350.db2.gz NYYWQCBJPAAFCX-HXUWFJFHSA-N 1 0 361.438 2.501 20 10 FFCDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000290231877 511130501 /nfs/dbraw/zinc/13/05/01/511130501.db2.gz IQZSXECTCIBSOD-DHUIEDIVSA-N 1 0 372.440 2.808 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1 ZINC000294698631 511146520 /nfs/dbraw/zinc/14/65/20/511146520.db2.gz APPCDSKDJHTXOI-LJQANCHMSA-N 1 0 358.555 2.720 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)c3ccc(F)cn3)CC2)cc1 ZINC000271308079 511158008 /nfs/dbraw/zinc/15/80/08/511158008.db2.gz IBIIDQRTRUAIST-MRXNPFEDSA-N 1 0 358.461 2.702 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)ccc1OCC(=O)N(C)C ZINC000295807353 511521237 /nfs/dbraw/zinc/52/12/37/511521237.db2.gz CLMOMOKTMWKHEL-MRXNPFEDSA-N 1 0 370.449 2.645 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000273440003 511526371 /nfs/dbraw/zinc/52/63/71/511526371.db2.gz MQMYYZXICPLBIT-LLVKDONJSA-N 1 0 368.386 2.564 20 10 FFCDRO COc1cccc(C[NH2+]CCCCn2cc(Br)cn2)c1O ZINC000280666264 511555531 /nfs/dbraw/zinc/55/55/31/511555531.db2.gz TXHTZTLCSSJKQK-UHFFFAOYSA-N 1 0 354.248 2.930 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1OC ZINC000365835667 511677998 /nfs/dbraw/zinc/67/79/98/511677998.db2.gz UVXUBNFITQQUTF-CQSZACIVSA-N 1 0 362.401 2.987 20 10 FFCDRO COCCOC[C@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000296291428 511687801 /nfs/dbraw/zinc/68/78/01/511687801.db2.gz LVARHNGASLFJRE-YLJYHZDGSA-N 1 0 359.466 2.979 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(Br)ccc1O ZINC000281013597 511688686 /nfs/dbraw/zinc/68/86/86/511688686.db2.gz YVIFNAPKOBIFSY-XUJVJEKNSA-N 1 0 358.276 2.840 20 10 FFCDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000364110025 511964790 /nfs/dbraw/zinc/96/47/90/511964790.db2.gz PEFAPXONJMKIPF-CQSZACIVSA-N 1 0 364.833 2.569 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364213401 512023105 /nfs/dbraw/zinc/02/31/05/512023105.db2.gz LEJKETJEHDBVIN-WAOWUJCRSA-N 1 0 359.514 2.682 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293649306 512038870 /nfs/dbraw/zinc/03/88/70/512038870.db2.gz IMHJWYGTACYLFD-CQSZACIVSA-N 1 0 356.426 2.864 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000375690805 512457463 /nfs/dbraw/zinc/45/74/63/512457463.db2.gz IGCQHFHOPNASIT-MRXNPFEDSA-N 1 0 371.437 2.921 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1C ZINC000375969532 512593809 /nfs/dbraw/zinc/59/38/09/512593809.db2.gz RBENOWIBXJDRDJ-INIZCTEOSA-N 1 0 370.497 2.696 20 10 FFCDRO COc1cc(Cl)cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000367830415 512679839 /nfs/dbraw/zinc/67/98/39/512679839.db2.gz BWHLYIFQAHPEBH-CQSZACIVSA-N 1 0 361.891 2.843 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc2c(cc1O)CCCC2 ZINC000368212825 512848347 /nfs/dbraw/zinc/84/83/47/512848347.db2.gz QFCQDTAMRFHRII-KUHUBIRLSA-N 1 0 358.482 2.702 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000472222114 515176072 /nfs/dbraw/zinc/17/60/72/515176072.db2.gz MCZYIQJTRMSGQJ-UHFFFAOYSA-N 1 0 372.513 2.739 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000472230385 515177064 /nfs/dbraw/zinc/17/70/64/515177064.db2.gz MQOHXFJXZDRUCF-QGZVFWFLSA-N 1 0 372.513 2.739 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1O ZINC000528654761 516595916 /nfs/dbraw/zinc/59/59/16/516595916.db2.gz XFEWZGBCJMNZNJ-LJQANCHMSA-N 1 0 361.825 2.704 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(Br)cc2O)COc2ccccc2C1 ZINC000529644535 517261547 /nfs/dbraw/zinc/26/15/47/517261547.db2.gz OIFVGVSZCVWSKP-KRWDZBQOSA-N 1 0 364.239 2.611 20 10 FFCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccc4[nH]ccc43)CC1)OCO2 ZINC000529669709 517272661 /nfs/dbraw/zinc/27/26/61/517272661.db2.gz OAFIUJMKIOMMJU-UHFFFAOYSA-N 1 0 351.406 2.924 20 10 FFCDRO CCC[N@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825323582 607507462 /nfs/dbraw/zinc/50/74/62/607507462.db2.gz YVRYMECWHNPSRM-UHFFFAOYSA-N 1 0 353.426 2.993 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210078 608500596 /nfs/dbraw/zinc/50/05/96/608500596.db2.gz CUWBKOQNKZRHRV-CYBMUJFWSA-N 1 0 369.425 2.701 20 10 FFCDRO COc1cccc(O)c1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826217515 608519065 /nfs/dbraw/zinc/51/90/65/608519065.db2.gz PWLRXWNEMWZWEN-UHFFFAOYSA-N 1 0 351.410 2.746 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000746721398 735507371 /nfs/dbraw/zinc/50/73/71/735507371.db2.gz ARFFHOPVIKFSGK-CABCVRRESA-N 1 0 350.482 2.954 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccco1)Cc1cc(Br)ccc1O ZINC000076118487 728255414 /nfs/dbraw/zinc/25/54/14/728255414.db2.gz JNLCKPGHVACELL-UHFFFAOYSA-N 1 0 367.243 2.886 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000746978138 735522081 /nfs/dbraw/zinc/52/20/81/735522081.db2.gz LADZGFFYQRKZDC-GJZGRUSLSA-N 1 0 350.482 2.811 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)c1 ZINC000093871628 728478421 /nfs/dbraw/zinc/47/84/21/728478421.db2.gz JBCZACWFVOMBTL-UHFFFAOYSA-N 1 0 362.499 2.917 20 10 FFCDRO CCC(CC)NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106515307 728511000 /nfs/dbraw/zinc/51/10/00/728511000.db2.gz GNOYLLPXBZQIOG-UHFFFAOYSA-N 1 0 350.482 2.955 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)Nc1nccs1 ZINC000112536829 728546301 /nfs/dbraw/zinc/54/63/01/728546301.db2.gz JUVZJMQBIBHCFN-UONOGXRCSA-N 1 0 360.483 2.658 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]CCOc1ncccc1C(F)(F)F)OCO2 ZINC000122901730 728653190 /nfs/dbraw/zinc/65/31/90/728653190.db2.gz PIDRFYJQZNUSMP-UHFFFAOYSA-N 1 0 356.300 2.703 20 10 FFCDRO CC[C@@H](SC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000130044961 728714763 /nfs/dbraw/zinc/71/47/63/728714763.db2.gz OOKWGXYJADAGRA-QGZVFWFLSA-N 1 0 353.507 2.725 20 10 FFCDRO CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000134263758 728729321 /nfs/dbraw/zinc/72/93/21/728729321.db2.gz FSLQNYCSAUXYQY-SJLPKXTDSA-N 1 0 367.921 2.712 20 10 FFCDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175322062 729093668 /nfs/dbraw/zinc/09/36/68/729093668.db2.gz JAJGUYGHWMQIAI-UHFFFAOYSA-N 1 0 364.559 2.771 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000178833866 729171359 /nfs/dbraw/zinc/17/13/59/729171359.db2.gz WMZKNORFRVDLPU-XJKSGUPXSA-N 1 0 353.413 2.515 20 10 FFCDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185322617 729346677 /nfs/dbraw/zinc/34/66/77/729346677.db2.gz FPDHNMSZAPDYFP-OLZOCXBDSA-N 1 0 364.467 2.721 20 10 FFCDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccc(Br)cc1 ZINC000237697862 729562846 /nfs/dbraw/zinc/56/28/46/729562846.db2.gz SJPNGJHDOAFCQJ-UHFFFAOYSA-N 1 0 362.271 2.902 20 10 FFCDRO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000856592551 730346612 /nfs/dbraw/zinc/34/66/12/730346612.db2.gz KBVSGXKJOIIIGZ-KRWDZBQOSA-N 1 0 351.834 2.561 20 10 FFCDRO Cn1cc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c(Cl)n1 ZINC000856719081 730349415 /nfs/dbraw/zinc/34/94/15/730349415.db2.gz PRYJDGMPNCCNEA-WDZFZDKYSA-N 1 0 372.947 2.863 20 10 FFCDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858108222 730416750 /nfs/dbraw/zinc/41/67/50/730416750.db2.gz YEYUSVLOTXPPKI-HNNXBMFYSA-N 1 0 350.409 2.869 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@@H]1n1cccn1 ZINC000858171121 730418655 /nfs/dbraw/zinc/41/86/55/730418655.db2.gz UPAWGCWLOJMZBR-NXHRZFHOSA-N 1 0 350.413 2.736 20 10 FFCDRO CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000860241087 730493021 /nfs/dbraw/zinc/49/30/21/730493021.db2.gz GPTPQQFYHZIAMO-FUHWJXTLSA-N 1 0 366.889 2.941 20 10 FFCDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862234275 730679389 /nfs/dbraw/zinc/67/93/89/730679389.db2.gz JZERVYZMKJJOBM-CQSZACIVSA-N 1 0 355.276 2.988 20 10 FFCDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000862465872 730703769 /nfs/dbraw/zinc/70/37/69/730703769.db2.gz VQNAPYZGXMUYMP-LBPRGKRZSA-N 1 0 356.216 2.515 20 10 FFCDRO O=C1OC[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]12 ZINC000863337763 730770460 /nfs/dbraw/zinc/77/04/60/730770460.db2.gz IAHSPBPEBRMWJD-BXUZGUMPSA-N 1 0 362.223 2.913 20 10 FFCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1 ZINC000866493770 731066886 /nfs/dbraw/zinc/06/68/86/731066886.db2.gz ZKBABIHFBNWHKD-JLJPHGGASA-N 1 0 350.459 2.722 20 10 FFCDRO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000866574368 731075583 /nfs/dbraw/zinc/07/55/83/731075583.db2.gz VDRNUUNVIDVPCH-CQSZACIVSA-N 1 0 371.522 2.781 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000870973603 731582050 /nfs/dbraw/zinc/58/20/50/731582050.db2.gz BSRSKDNTMJNLOL-RBVVOMGSSA-N 1 0 356.495 2.577 20 10 FFCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1O ZINC000872150297 731734385 /nfs/dbraw/zinc/73/43/85/731734385.db2.gz ZHYAPXLIESRIEJ-ZWNOBZJWSA-N 1 0 350.768 2.817 20 10 FFCDRO O=C1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1 ZINC000873063819 731870101 /nfs/dbraw/zinc/87/01/01/731870101.db2.gz FVBAKPMECKMAFM-ZIAGYGMSSA-N 1 0 353.413 2.515 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1Cn1cccn1 ZINC000873135672 731879480 /nfs/dbraw/zinc/87/94/80/731879480.db2.gz KZSXIMIVLSEFNK-QJMRKGMQSA-N 1 0 361.511 2.719 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000873161842 731883106 /nfs/dbraw/zinc/88/31/06/731883106.db2.gz CZNITSBWVFQIMX-SNVBAGLBSA-N 1 0 358.232 2.596 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)c(O)c1 ZINC000877017708 732312653 /nfs/dbraw/zinc/31/26/53/732312653.db2.gz PREBNGOLHNCXSM-UHFFFAOYSA-N 1 0 362.495 2.818 20 10 FFCDRO CO[C@H](C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOC1 ZINC000877033830 732315215 /nfs/dbraw/zinc/31/52/15/732315215.db2.gz OLLPCHDQACNOIS-DKSSEZFCSA-N 1 0 368.905 2.651 20 10 FFCDRO C[N@@H+]1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1(C)C ZINC000877206349 732334056 /nfs/dbraw/zinc/33/40/56/732334056.db2.gz IEUDNROLLCLJRG-UHFFFAOYSA-N 1 0 358.511 2.872 20 10 FFCDRO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(O)c1 ZINC000877573758 732390951 /nfs/dbraw/zinc/39/09/51/732390951.db2.gz UHEYJVZWICXUBC-MRXNPFEDSA-N 1 0 350.459 2.816 20 10 FFCDRO OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000877694135 732415502 /nfs/dbraw/zinc/41/55/02/732415502.db2.gz ZUOFHNRQJSIYRA-GXSJLCMTSA-N 1 0 354.166 2.757 20 10 FFCDRO COC(=O)c1coc(C[NH2+]Cc2cc(Br)cc(OC)c2O)c1 ZINC000877698905 732415832 /nfs/dbraw/zinc/41/58/32/732415832.db2.gz QMBGAKHDVFCCNG-UHFFFAOYSA-N 1 0 370.199 2.833 20 10 FFCDRO COc1cc(Cl)cc(C[N@H+](C)CCN2CC3(C2)CCOCC3)c1O ZINC000877766048 732425676 /nfs/dbraw/zinc/42/56/76/732425676.db2.gz OYJSTOBGYONUAR-UHFFFAOYSA-N 1 0 354.878 2.598 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000781895461 738668939 /nfs/dbraw/zinc/66/89/39/738668939.db2.gz SSOHJAKEEPVUEW-OAHLLOKOSA-N 1 0 369.303 2.760 20 10 FFCDRO COC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000782013879 738680489 /nfs/dbraw/zinc/68/04/89/738680489.db2.gz KMRSTUYXJZJFIX-OAHLLOKOSA-N 1 0 352.862 2.695 20 10 FFCDRO C[C@H]([NH2+]CCOC1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000927079594 738689005 /nfs/dbraw/zinc/68/90/05/738689005.db2.gz SOJXGAYAJNCDFM-HNNXBMFYSA-N 1 0 352.450 2.509 20 10 FFCDRO CSc1ccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000882908982 733310198 /nfs/dbraw/zinc/31/01/98/733310198.db2.gz JPEKYNLVWFVORP-HNNXBMFYSA-N 1 0 359.495 2.993 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)ccc1OC ZINC000883365532 733374102 /nfs/dbraw/zinc/37/41/02/733374102.db2.gz CFZLVCHQYVAPRX-ZDUSSCGKSA-N 1 0 357.319 2.880 20 10 FFCDRO CCc1ncc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886324902 733773639 /nfs/dbraw/zinc/77/36/39/733773639.db2.gz LHTPGIDTYZVHRO-UHFFFAOYSA-N 1 0 358.511 2.697 20 10 FFCDRO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000886360027 733777177 /nfs/dbraw/zinc/77/71/77/733777177.db2.gz NSOJVWZSYUBHLE-RISCZKNCSA-N 1 0 374.275 2.695 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C3(SC)CCC3)cc2F)CC1 ZINC000783321637 738799645 /nfs/dbraw/zinc/79/96/45/738799645.db2.gz HWQNYRSSXZXOCC-UHFFFAOYSA-N 1 0 365.518 2.870 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000701868279 734355307 /nfs/dbraw/zinc/35/53/07/734355307.db2.gz SWUKCSUGHQLAJQ-SFHVURJKSA-N 1 0 350.415 2.610 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000714243489 734368998 /nfs/dbraw/zinc/36/89/98/734368998.db2.gz LXDVKERSZIOBMN-NQBHXWOUSA-N 1 0 362.289 2.771 20 10 FFCDRO CCN(CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O)S(C)(=O)=O ZINC000725847222 734395978 /nfs/dbraw/zinc/39/59/78/734395978.db2.gz GDDODRXPYNVAGV-UHFFFAOYSA-N 1 0 362.495 2.820 20 10 FFCDRO COc1cccc(O)c1C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000725849047 734396284 /nfs/dbraw/zinc/39/62/84/734396284.db2.gz SFUUVLJYPKCZBV-UHFFFAOYSA-N 1 0 355.843 2.618 20 10 FFCDRO COc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000725849367 734396553 /nfs/dbraw/zinc/39/65/53/734396553.db2.gz LKLQNSDGGJBANE-JTQLQIEISA-N 1 0 352.232 2.674 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CSCCS2)[NH+](C)C)cc1 ZINC000891252851 734404986 /nfs/dbraw/zinc/40/49/86/734404986.db2.gz OFZGMXMNPGEFBN-DLBZAZTESA-N 1 0 367.584 2.710 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NC[C@H]2CC2(Cl)Cl)[NH+](C)C)cc1 ZINC000891566398 734446641 /nfs/dbraw/zinc/44/66/41/734446641.db2.gz NRYPUUSOHRBQJV-UKRRQHHQSA-N 1 0 373.328 2.848 20 10 FFCDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000731869447 734701976 /nfs/dbraw/zinc/70/19/76/734701976.db2.gz HYMACBWQRUWAKL-UHFFFAOYSA-N 1 0 359.495 2.521 20 10 FFCDRO O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732049105 734714223 /nfs/dbraw/zinc/71/42/23/734714223.db2.gz OLVGKACQEDGLTG-AWEZNQCLSA-N 1 0 362.817 2.847 20 10 FFCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cscn1 ZINC000895718998 735047482 /nfs/dbraw/zinc/04/74/82/735047482.db2.gz KTXZZEDQKRNWRL-SUMWQHHRSA-N 1 0 361.515 2.872 20 10 FFCDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3ccc(Br)cc3O)O2)CO1 ZINC000895819656 735059801 /nfs/dbraw/zinc/05/98/01/735059801.db2.gz YRZWELWDXGJPOH-WPGHFRTFSA-N 1 0 356.260 2.971 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]Cc2cnn(CCF)c2)c1O ZINC000897737968 735271469 /nfs/dbraw/zinc/27/14/69/735271469.db2.gz WMQWWNPIJAXMMT-UHFFFAOYSA-N 1 0 358.211 2.619 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(OCC)ccc2O)CCOCC1 ZINC000897745142 735272312 /nfs/dbraw/zinc/27/23/12/735272312.db2.gz ANNNVBKPWOHRBN-CQSZACIVSA-N 1 0 351.443 2.629 20 10 FFCDRO Cc1cc(Br)cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903972907 736196903 /nfs/dbraw/zinc/19/69/03/736196903.db2.gz MDOLQPAESDMBNS-OAHLLOKOSA-N 1 0 369.303 2.711 20 10 FFCDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000756104051 736307382 /nfs/dbraw/zinc/30/73/82/736307382.db2.gz YVFLTWPXYLXHEX-DYVFJYSZSA-N 1 0 357.420 2.582 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Br)ccc1O ZINC000756429732 736330585 /nfs/dbraw/zinc/33/05/85/736330585.db2.gz DNZAFLQWBNVKIZ-LLVKDONJSA-N 1 0 374.242 2.981 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC(F)(F)F)ccc1N1CCCCC1 ZINC000756994439 736382061 /nfs/dbraw/zinc/38/20/61/736382061.db2.gz RDXQKNRFJKMSHM-CYBMUJFWSA-N 1 0 361.364 2.988 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000760451554 736640186 /nfs/dbraw/zinc/64/01/86/736640186.db2.gz NICUDGIHMZQOOR-OAHLLOKOSA-N 1 0 361.364 2.988 20 10 FFCDRO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC[NH+]1CCCCC1 ZINC000760949879 736682962 /nfs/dbraw/zinc/68/29/62/736682962.db2.gz LKKRMJQAGMQWLI-UHFFFAOYSA-N 1 0 365.861 2.686 20 10 FFCDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(Br)ccc1O ZINC000763558492 736947584 /nfs/dbraw/zinc/94/75/84/736947584.db2.gz JNFWYXCQVSLDGR-IAQYHMDHSA-N 1 0 358.276 2.983 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000768227198 737407597 /nfs/dbraw/zinc/40/75/97/737407597.db2.gz FQVMIIQKGKRXCB-UHFFFAOYSA-N 1 0 367.559 2.827 20 10 FFCDRO C[NH+]1CCC2(CCCN2C(=O)NCCCSc2nccs2)CC1 ZINC000768961662 737482756 /nfs/dbraw/zinc/48/27/56/737482756.db2.gz CQTNNHHCMXSUGP-UHFFFAOYSA-N 1 0 354.545 2.895 20 10 FFCDRO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769385311 737523149 /nfs/dbraw/zinc/52/31/49/737523149.db2.gz VTBXRIKQQDPYER-HNNXBMFYSA-N 1 0 360.479 2.560 20 10 FFCDRO O=C(NCCCSc1nccs1)NCC1CC[NH+](C2CC2)CC1 ZINC000770741558 737659211 /nfs/dbraw/zinc/65/92/11/737659211.db2.gz WLURMQBUMDMCMQ-UHFFFAOYSA-N 1 0 354.545 2.799 20 10 FFCDRO CC(C)[C@@](C)(O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771416458 737724805 /nfs/dbraw/zinc/72/48/05/737724805.db2.gz HGEURCRKXUPXBZ-CRAIPNDOSA-N 1 0 354.878 2.533 20 10 FFCDRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921516812 737995753 /nfs/dbraw/zinc/99/57/53/737995753.db2.gz GNZDVCBDHCFPHN-UHFFFAOYSA-N 1 0 360.479 2.552 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)ccc1O ZINC000775499660 738097133 /nfs/dbraw/zinc/09/71/33/738097133.db2.gz SWPZPRNTFPAYKK-IUODEOHRSA-N 1 0 357.292 2.916 20 10 FFCDRO CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1O ZINC000775525181 738099323 /nfs/dbraw/zinc/09/93/23/738099323.db2.gz DSHGVHOXWDIVFT-GJZGRUSLSA-N 1 0 362.861 2.934 20 10 FFCDRO CC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)ccc1O ZINC000775552916 738101289 /nfs/dbraw/zinc/10/12/89/738101289.db2.gz YYYIWEYFRPBFDK-HUUCEWRRSA-N 1 0 358.276 2.983 20 10 FFCDRO Fc1cc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1N1CCOCC1 ZINC000922462342 738149621 /nfs/dbraw/zinc/14/96/21/738149621.db2.gz ODOJLNISACBSLJ-CJNGLKHVSA-N 1 0 362.367 2.862 20 10 FFCDRO CS[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1[NH+]1CCCC1 ZINC000776486938 738199140 /nfs/dbraw/zinc/19/91/40/738199140.db2.gz VDGOOZNPHQJEGA-DLBZAZTESA-N 1 0 352.475 2.746 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922807599 738203911 /nfs/dbraw/zinc/20/39/11/738203911.db2.gz CTCRAEUXLJEXNL-CQSZACIVSA-N 1 0 356.260 2.973 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777221072 738273141 /nfs/dbraw/zinc/27/31/41/738273141.db2.gz YUOWUFZJVVDALV-JTQLQIEISA-N 1 0 373.291 2.898 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+]Cc3c(O)cccc3Cl)C2)nc1 ZINC000784624717 738909337 /nfs/dbraw/zinc/90/93/37/738909337.db2.gz GPRVXPYJQVWPJV-UHFFFAOYSA-N 1 0 361.829 2.596 20 10 FFCDRO CC(C)(O)CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000787443204 739137310 /nfs/dbraw/zinc/13/73/10/739137310.db2.gz BNPMUEMKLGDBES-HNNXBMFYSA-N 1 0 354.878 2.677 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1 ZINC000934752350 739832558 /nfs/dbraw/zinc/83/25/58/739832558.db2.gz OGXQTFMYNYFZLG-DEOSSOPVSA-N 1 0 352.548 2.539 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)c1O ZINC000794716175 739923299 /nfs/dbraw/zinc/92/32/99/739923299.db2.gz BWGPNEDGOLSAPM-APPDUMDISA-N 1 0 360.841 2.995 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3ncc(CN(C)C)s3)CC2)cc1 ZINC000796278005 740124608 /nfs/dbraw/zinc/12/46/08/740124608.db2.gz LBYAHCLXKNRBDV-UHFFFAOYSA-N 1 0 360.527 2.972 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000797095563 740211479 /nfs/dbraw/zinc/21/14/79/740211479.db2.gz DECNJCKLNJPRQA-MAUKXSAKSA-N 1 0 353.532 2.607 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000798500654 740338355 /nfs/dbraw/zinc/33/83/55/740338355.db2.gz VBUAMFKEVPWEAE-UHFFFAOYSA-N 1 0 368.886 2.812 20 10 FFCDRO C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000800519566 740531241 /nfs/dbraw/zinc/53/12/41/740531241.db2.gz RTRPVQAPIJCYQO-XGIHMFCUSA-N 1 0 366.889 2.940 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000801735370 740646975 /nfs/dbraw/zinc/64/69/75/740646975.db2.gz UEGTVBYYNAZCAV-OAHLLOKOSA-N 1 0 352.228 2.987 20 10 FFCDRO CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136768 741042702 /nfs/dbraw/zinc/04/27/02/741042702.db2.gz CEXFMJCPDFIKFH-BBRMVZONSA-N 1 0 353.894 2.674 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000809712637 741336033 /nfs/dbraw/zinc/33/60/33/741336033.db2.gz BFDTZPWRKBVIQU-UHFFFAOYSA-N 1 0 352.184 2.879 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000809779742 741343133 /nfs/dbraw/zinc/34/31/33/741343133.db2.gz YKXGTUXEHKSYIG-AWEZNQCLSA-N 1 0 351.830 2.929 20 10 FFCDRO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000809980868 741369286 /nfs/dbraw/zinc/36/92/86/741369286.db2.gz VCQPOZGPOFCBNR-LIRRHRJNSA-N 1 0 351.491 2.679 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc4cc(Cl)ccn4n3)cc2)CC1 ZINC000811840242 741566592 /nfs/dbraw/zinc/56/65/92/741566592.db2.gz UMVSUXUAINGMKA-UHFFFAOYSA-N 1 0 356.861 2.747 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)[C@H]1n1cccn1 ZINC000815167141 741908071 /nfs/dbraw/zinc/90/80/71/741908071.db2.gz SDJBVPAMKAWNHQ-NUEKZKHPSA-N 1 0 366.259 2.860 20 10 FFCDRO OC[C@]1([C@@H]([NH2+]Cc2cc(Br)ccc2O)C2CC2)CCCO1 ZINC000816667854 742052299 /nfs/dbraw/zinc/05/22/99/742052299.db2.gz YHCAHYOUZBWOKU-HOTGVXAUSA-N 1 0 356.260 2.564 20 10 FFCDRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)cc1C ZINC000824544128 743102584 /nfs/dbraw/zinc/10/25/84/743102584.db2.gz UKYQNEZIJFSFBN-UHFFFAOYSA-N 1 0 351.244 2.718 20 10 FFCDRO C[C@H]1CN=C(N2CCN(Cc3ccc(Br)cc3O)CC2)S1 ZINC000824862448 743167111 /nfs/dbraw/zinc/16/71/11/743167111.db2.gz ILAMYQZPEWNHOD-NSHDSACASA-N 1 0 370.316 2.764 20 10 FFCDRO C[N@H+](Cc1ccc(Br)cc1[O-])CC(C)(C)CN1CCOCC1 ZINC000824894810 743172685 /nfs/dbraw/zinc/17/26/85/743172685.db2.gz KLNPWXGFWDRKLX-UHFFFAOYSA-N 1 0 371.319 2.945 20 10 FFCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000825024899 743197201 /nfs/dbraw/zinc/19/72/01/743197201.db2.gz WHMXRRPHXRWTRU-SFHVURJKSA-N 1 0 361.463 2.638 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000825342501 743252592 /nfs/dbraw/zinc/25/25/92/743252592.db2.gz DCHBHRGNDREZIS-MRXNPFEDSA-N 1 0 352.228 2.987 20 10 FFCDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(Br)cc2O)C1(C)C ZINC000825629496 743303578 /nfs/dbraw/zinc/30/35/78/743303578.db2.gz XWGLZIOHKQUZFV-GOEBONIOSA-N 1 0 358.276 2.810 20 10 FFCDRO CCn1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000830544791 745378333 /nfs/dbraw/zinc/37/83/33/745378333.db2.gz UBFLAXYXFMLXRO-OAHLLOKOSA-N 1 0 362.861 2.656 20 10 FFCDRO [NH3+][C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC1 ZINC000830665503 745401573 /nfs/dbraw/zinc/40/15/73/745401573.db2.gz YIMHIEVDUPEYNN-XJKSGUPXSA-N 1 0 353.413 2.500 20 10 FFCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000830798859 745432174 /nfs/dbraw/zinc/43/21/74/745432174.db2.gz RYIZAFYZFHCVIL-ZIAGYGMSSA-N 1 0 355.276 2.891 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000831052347 745473384 /nfs/dbraw/zinc/47/33/84/745473384.db2.gz RYFPDGUKSBKNCI-HZPDHXFCSA-N 1 0 358.511 2.919 20 10 FFCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000831143138 745489992 /nfs/dbraw/zinc/48/99/92/745489992.db2.gz GBCOYRUQPZWTSS-MRXNPFEDSA-N 1 0 351.466 2.507 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000832293320 745673701 /nfs/dbraw/zinc/67/37/01/745673701.db2.gz UZRQKQOFNSKHPU-AWEZNQCLSA-N 1 0 352.360 2.596 20 10 FFCDRO COC(=O)c1cnc(SC[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000834383784 745828202 /nfs/dbraw/zinc/82/82/02/745828202.db2.gz WAHUXDXACXTIRG-CYBMUJFWSA-N 1 0 352.481 2.515 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(Br)ccc1O ZINC000834850443 745913816 /nfs/dbraw/zinc/91/38/16/745913816.db2.gz MOIOWTSTQJPMJL-GXTWGEPZSA-N 1 0 357.292 2.652 20 10 FFCDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Cl)ccc1O ZINC000834892918 745921356 /nfs/dbraw/zinc/92/13/56/745921356.db2.gz XKOKTWFVFGZUJM-OAHLLOKOSA-N 1 0 361.891 2.680 20 10 FFCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCOC1 ZINC000838982189 746749652 /nfs/dbraw/zinc/74/96/52/746749652.db2.gz MCOHNQSDFJPZBQ-KRWDZBQOSA-N 1 0 369.303 2.680 20 10 FFCDRO C[N@H+](CCOCCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839075207 746768387 /nfs/dbraw/zinc/76/83/87/746768387.db2.gz BEDJBDGPOMXVHQ-UHFFFAOYSA-N 1 0 371.319 2.880 20 10 FFCDRO Cc1nc(F)ccc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144082 746787467 /nfs/dbraw/zinc/78/74/67/746787467.db2.gz FZEZZFVQNSREMM-UHFFFAOYSA-N 1 0 351.372 2.934 20 10 FFCDRO Fc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1N1CCOCC1 ZINC000839146280 746788197 /nfs/dbraw/zinc/78/81/97/746788197.db2.gz BFAXQTOIVUOZCF-HOTGVXAUSA-N 1 0 351.441 2.518 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000839649680 746881840 /nfs/dbraw/zinc/88/18/40/746881840.db2.gz HDSWBYNRGPNQKD-HIFRSBDPSA-N 1 0 364.511 2.796 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c(Cl)c1 ZINC000840882806 747212117 /nfs/dbraw/zinc/21/21/17/747212117.db2.gz BZGJUFBJXFRAFQ-QGZVFWFLSA-N 1 0 356.919 2.652 20 10 FFCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000840888730 747213509 /nfs/dbraw/zinc/21/35/09/747213509.db2.gz BVRSZUDOCYAHDY-KGLIPLIRSA-N 1 0 353.894 2.740 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000840912901 747222738 /nfs/dbraw/zinc/22/27/38/747222738.db2.gz ZGWQPJMKTUAYPI-OAHLLOKOSA-N 1 0 361.511 2.901 20 10 FFCDRO COC(=O)c1ccc(Cl)c(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841040848 747259178 /nfs/dbraw/zinc/25/91/78/747259178.db2.gz AKGQHTFGEPYIBS-SFHVURJKSA-N 1 0 361.873 2.982 20 10 FFCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841707653 747437500 /nfs/dbraw/zinc/43/75/00/747437500.db2.gz WYRNDCPJVSTSFC-NVXWUHKLSA-N 1 0 362.543 2.509 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000841799588 747463888 /nfs/dbraw/zinc/46/38/88/747463888.db2.gz YAHZTOHGZIRHNU-ZBFHGGJFSA-N 1 0 350.482 2.859 20 10 FFCDRO [NH3+]CCc1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000841858166 747477779 /nfs/dbraw/zinc/47/77/79/747477779.db2.gz UFRDLAGXRIJCAC-UHFFFAOYSA-N 1 0 350.513 2.626 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000841985783 747497363 /nfs/dbraw/zinc/49/73/63/747497363.db2.gz BQEPUZACMLJSCS-RISCZKNCSA-N 1 0 370.291 2.684 20 10 FFCDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000842784163 747686545 /nfs/dbraw/zinc/68/65/45/747686545.db2.gz GZGVOTPEXYKLLP-MRXNPFEDSA-N 1 0 367.902 2.693 20 10 FFCDRO COc1cccc(SCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843296366 747806718 /nfs/dbraw/zinc/80/67/18/747806718.db2.gz BOEYEUARFMHEJJ-GOSISDBHSA-N 1 0 359.495 2.670 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000843299920 747807245 /nfs/dbraw/zinc/80/72/45/747807245.db2.gz ZOJHWCUOKQZCRH-QGZVFWFLSA-N 1 0 365.449 2.939 20 10 FFCDRO CCN(Cc1nc(C(C)(C)[NH3+])no1)Cc1cc(Br)ccc1O ZINC000843359555 747817045 /nfs/dbraw/zinc/81/70/45/747817045.db2.gz WLGJLTIFKKOWCZ-UHFFFAOYSA-N 1 0 369.263 2.754 20 10 FFCDRO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000843433124 747836963 /nfs/dbraw/zinc/83/69/63/747836963.db2.gz UIWQDNWHMFQPAV-CQSZACIVSA-N 1 0 350.768 2.854 20 10 FFCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843452021 747838797 /nfs/dbraw/zinc/83/87/97/747838797.db2.gz JFHAJZPGYHWWOY-JTQLQIEISA-N 1 0 365.275 2.576 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c(C)n1-c1ccc(F)cc1 ZINC000843485164 747843639 /nfs/dbraw/zinc/84/36/39/747843639.db2.gz SZRYMIPFJFWAAW-INIZCTEOSA-N 1 0 351.372 2.960 20 10 FFCDRO CC(C)([NH3+])CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000844187413 747985481 /nfs/dbraw/zinc/98/54/81/747985481.db2.gz GKIVFFOLYLALKU-CYBMUJFWSA-N 1 0 355.429 2.891 20 10 FFCDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)C1 ZINC000844903449 748133395 /nfs/dbraw/zinc/13/33/95/748133395.db2.gz ZFPLKQRMWHSFTQ-XNRPHZJLSA-N 1 0 369.303 2.873 20 10 FFCDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845938022 748357156 /nfs/dbraw/zinc/35/71/56/748357156.db2.gz TZECHVCDLUMTCH-APWZRJJASA-N 1 0 350.528 2.980 20 10 FFCDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000846048120 748391780 /nfs/dbraw/zinc/39/17/80/748391780.db2.gz VMIBSVWZIZHEJV-OKILXGFUSA-N 1 0 366.303 2.793 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)c1 ZINC000846071486 748396221 /nfs/dbraw/zinc/39/62/21/748396221.db2.gz HYTIBDWBNJNLLP-LBPRGKRZSA-N 1 0 355.404 2.872 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cc(F)c(F)cc2F)cc1 ZINC000846664354 748522139 /nfs/dbraw/zinc/52/21/39/748522139.db2.gz YMZAOGJYJVUETL-KRWDZBQOSA-N 1 0 351.372 2.529 20 10 FFCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848534727 748952719 /nfs/dbraw/zinc/95/27/19/748952719.db2.gz UHHUYYNGFIPCJH-JTQLQIEISA-N 1 0 369.263 2.668 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000848552442 748957766 /nfs/dbraw/zinc/95/77/66/748957766.db2.gz BDJZBHAGIBOUHH-ZJUUUORDSA-N 1 0 359.264 2.727 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000848556050 748959451 /nfs/dbraw/zinc/95/94/51/748959451.db2.gz KULQQSBNYSOWCL-MEDUHNTESA-N 1 0 374.275 2.746 20 10 FFCDRO CCc1cccc(C[NH2+][C@H](C)CCNS(=O)(=O)c2ccccc2)c1O ZINC000848909126 749032603 /nfs/dbraw/zinc/03/26/03/749032603.db2.gz LQDHMHRZXUMAQS-OAHLLOKOSA-N 1 0 362.495 2.801 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000850137328 749309602 /nfs/dbraw/zinc/30/96/02/749309602.db2.gz NAYDOWXWOHFNNI-WBQNTZJQSA-N 1 0 366.889 2.797 20 10 FFCDRO Oc1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000850136717 749309627 /nfs/dbraw/zinc/30/96/27/749309627.db2.gz AQVKKRVWXRGZRA-MRXNPFEDSA-N 1 0 360.889 2.943 20 10 FFCDRO COc1cc(C[NH2+]C[C@H]2CCCN2CCCO)c(O)c(C(C)(C)C)c1 ZINC000850313187 749339767 /nfs/dbraw/zinc/33/97/67/749339767.db2.gz RHDGFFUZQJPDEI-MRXNPFEDSA-N 1 0 350.503 2.635 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000850341296 749345030 /nfs/dbraw/zinc/34/50/30/749345030.db2.gz GCAAUSAEANXSNA-KRWDZBQOSA-N 1 0 365.857 2.764 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(C4OCCO4)s3)C2)cc1 ZINC000850345979 749346342 /nfs/dbraw/zinc/34/63/42/749346342.db2.gz AYMIQTRRSITZTP-ZDUSSCGKSA-N 1 0 361.467 2.566 20 10 FFCDRO CC(C)(C[NH2+]Cc1cc(Br)ccc1O)[C@@]1(O)CCCOC1 ZINC000850400875 749359856 /nfs/dbraw/zinc/35/98/56/749359856.db2.gz PNWUGYRXUUYYNA-MRXNPFEDSA-N 1 0 358.276 2.812 20 10 FFCDRO COC[C@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)OC ZINC000850487024 749372262 /nfs/dbraw/zinc/37/22/62/749372262.db2.gz XQBXQBDGGMXACR-ZBFHGGJFSA-N 1 0 356.894 2.879 20 10 FFCDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)c1ccccc1O ZINC000850495038 749374853 /nfs/dbraw/zinc/37/48/53/749374853.db2.gz VODUNPMRBQMRFF-NSHDSACASA-N 1 0 364.243 2.630 20 10 FFCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)[C@@H]1C ZINC000850507742 749377848 /nfs/dbraw/zinc/37/78/48/749377848.db2.gz POTZHAUOOUFAAC-GPMSIDNRSA-N 1 0 350.528 2.836 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)c1O ZINC000850518672 749380199 /nfs/dbraw/zinc/38/01/99/749380199.db2.gz SSIJAMZKLCJXTO-SECBINFHSA-N 1 0 359.797 2.982 20 10 FFCDRO CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000854233401 750266452 /nfs/dbraw/zinc/26/64/52/750266452.db2.gz YSJFFUFLBBLCFB-LLVKDONJSA-N 1 0 357.241 2.894 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)cc1C ZINC000385484080 845828333 /nfs/dbraw/zinc/82/83/33/845828333.db2.gz OQZJUOZZXOBEKB-INIZCTEOSA-N 1 0 350.459 2.729 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1CN1CCCn2nncc2C1 ZINC000895755889 970918817 /nfs/dbraw/zinc/91/88/17/970918817.db2.gz QMVFGAAVJBMVII-UHFFFAOYSA-N 1 0 350.422 2.969 20 10 FFCDRO O=C1N(Cc2ncccn2)CC[C@@]12CCC[N@H+]2Cc1c(O)cccc1Cl ZINC001275837637 1013067636 /nfs/dbraw/zinc/06/76/36/1013067636.db2.gz KVXJVRIWUNENOA-IBGZPJMESA-N 1 0 372.856 2.603 20 10 FFCDRO FC(F)(F)CN1CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000189465434 971586027 /nfs/dbraw/zinc/58/60/27/971586027.db2.gz FWSPQWRUBHEISW-UHFFFAOYSA-N 1 0 371.447 2.887 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccccc3O)CC2)cc1 ZINC000237272939 971951584 /nfs/dbraw/zinc/95/15/84/971951584.db2.gz ZNFSBLWKHUPLSU-UHFFFAOYSA-N 1 0 355.482 2.703 20 10 FFCDRO O=C1N(Cc2cnoc2)CC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001275894681 1013159516 /nfs/dbraw/zinc/15/95/16/1013159516.db2.gz AHPINFAQRWEVMZ-GOSISDBHSA-N 1 0 361.829 2.658 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1OC ZINC000872820165 1013268978 /nfs/dbraw/zinc/26/89/78/1013268978.db2.gz LONOWECUNXQQFM-MRXNPFEDSA-N 1 0 372.421 2.867 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1O ZINC000160323660 961808534 /nfs/dbraw/zinc/80/85/34/961808534.db2.gz VSAUGLPPRJBGGF-QAPCUYQASA-N 1 0 369.465 2.863 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cn2cccn2)cc1C ZINC001087121079 962115899 /nfs/dbraw/zinc/11/58/99/962115899.db2.gz FUWFJNGLLLEHQK-APWZRJJASA-N 1 0 370.497 2.617 20 10 FFCDRO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cccc(O)c1 ZINC000891246090 962565606 /nfs/dbraw/zinc/56/56/06/962565606.db2.gz MBHZFTJWEYSDNO-FOIQADDNSA-N 1 0 355.482 2.981 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(C=O)ccc2F)[NH+](C)C)cc1 ZINC000891246871 962567541 /nfs/dbraw/zinc/56/75/41/962567541.db2.gz QQEPCNNWUZHHKA-LJQANCHMSA-N 1 0 357.429 2.737 20 10 FFCDRO CO[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(O)cc1 ZINC000891247199 962570750 /nfs/dbraw/zinc/57/07/50/962570750.db2.gz GXJIDPJKCKHLGI-UXHICEINSA-N 1 0 371.481 2.565 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3cccnc32)[NH+](C)C)cc1 ZINC000891248934 962589841 /nfs/dbraw/zinc/58/98/41/962589841.db2.gz OXYYLVPERGXRDV-MOPGFXCFSA-N 1 0 352.482 2.597 20 10 FFCDRO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253353 962604004 /nfs/dbraw/zinc/60/40/04/962604004.db2.gz RMJHXUPTECHQRC-FZKQIMNGSA-N 1 0 357.502 2.615 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCCOc2cccnc2)[NH+](C)C)cc1 ZINC000891252338 962607166 /nfs/dbraw/zinc/60/71/66/962607166.db2.gz JNSVJJJKYGJBJM-FQEVSTJZSA-N 1 0 370.497 2.726 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3[nH]c(=O)oc32)[NH+](C)C)cc1 ZINC000891253505 962609452 /nfs/dbraw/zinc/60/94/52/962609452.db2.gz TYKMBIXWTNOAPY-QGZVFWFLSA-N 1 0 368.437 2.632 20 10 FFCDRO COc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1Cn1cccn1 ZINC000873033862 1013357049 /nfs/dbraw/zinc/35/70/49/1013357049.db2.gz KFKCZMCEXLBSJJ-UHFFFAOYSA-N 1 0 360.458 2.554 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)COC3)[NH+](C)C)cc1 ZINC000891255491 962622129 /nfs/dbraw/zinc/62/21/29/962622129.db2.gz QJCYRKFOMUXTKI-HXUWFJFHSA-N 1 0 353.466 2.816 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)[C@]12CCCO2 ZINC000873105625 1013385876 /nfs/dbraw/zinc/38/58/76/1013385876.db2.gz ZNSPDFBWXWYSBF-NJDAHSKKSA-N 1 0 371.481 2.756 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3cc4c(cn3)C(C)(C)C(=O)N4)cc2)CC1 ZINC001167426978 963029696 /nfs/dbraw/zinc/02/96/96/963029696.db2.gz RTYROKYCVUPKIR-UHFFFAOYSA-N 1 0 365.481 2.675 20 10 FFCDRO CC(C)=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001276065003 1013394152 /nfs/dbraw/zinc/39/41/52/1013394152.db2.gz YVWFHFOPGNSVFO-HXUWFJFHSA-N 1 0 360.429 2.839 20 10 FFCDRO C[C@@H]1Oc2ccc(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc2NC1=O ZINC001167434386 963177718 /nfs/dbraw/zinc/17/77/18/963177718.db2.gz LASJHFXYVFESGC-HNNXBMFYSA-N 1 0 366.465 2.770 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@]23C[C@H]2COC3)cc1C ZINC001087168797 964826851 /nfs/dbraw/zinc/82/68/51/964826851.db2.gz ISOMWWZYMUAVMH-KRDZULTMSA-N 1 0 372.509 2.757 20 10 FFCDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c(O)c1OC ZINC000891917417 965397197 /nfs/dbraw/zinc/39/71/97/965397197.db2.gz SCSWUORHPOXUDP-UHFFFAOYSA-N 1 0 374.437 2.705 20 10 FFCDRO COc1ccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c(O)c1OC ZINC000892270999 966678685 /nfs/dbraw/zinc/67/86/85/966678685.db2.gz NGUVVGXEICQUNU-UHFFFAOYSA-N 1 0 372.465 2.896 20 10 FFCDRO C[NH+](C)CCn1cc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC001176445891 1013700845 /nfs/dbraw/zinc/70/08/45/1013700845.db2.gz JBXSBQQGSMPMLK-UHFFFAOYSA-N 1 0 360.417 2.964 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC[N@H+](C)C3CCCC3)CC2)cc1 ZINC000729506793 967450778 /nfs/dbraw/zinc/45/07/78/967450778.db2.gz RKLFQHBNAQMODA-UHFFFAOYSA-N 1 0 374.529 2.838 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(c4nnc[nH]4)CC3)cc2)CC1 ZINC000828021014 967724269 /nfs/dbraw/zinc/72/42/69/967724269.db2.gz PCAMLPXTDHRELN-UHFFFAOYSA-N 1 0 355.486 2.800 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3ccoc3)cc2F)CC1 ZINC000177239725 969141800 /nfs/dbraw/zinc/14/18/00/969141800.db2.gz IWWPCAUHBIBVFF-UHFFFAOYSA-N 1 0 359.445 2.810 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000066196471 969291620 /nfs/dbraw/zinc/29/16/20/969291620.db2.gz JYBKHFNHGAGEJM-QGZVFWFLSA-N 1 0 362.518 2.647 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C3CCOCC3)CC2)cc1 ZINC000162836245 969676441 /nfs/dbraw/zinc/67/64/41/969676441.db2.gz FJPOAVHGABZNDW-GOSISDBHSA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)CC2)cc1 ZINC000892675121 969793976 /nfs/dbraw/zinc/79/39/76/969793976.db2.gz VEMNMJOLYBZSBI-PMACEKPBSA-N 1 0 372.513 2.542 20 10 FFCDRO COc1cccc([C@H](CNC(=O)N2Cc3cccc(O)c3C2)[NH+](C)C)c1 ZINC000875003093 1013944750 /nfs/dbraw/zinc/94/47/50/1013944750.db2.gz MRJKEPYVZAQUPN-SFHVURJKSA-N 1 0 355.438 2.729 20 10 FFCDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000892728418 970257947 /nfs/dbraw/zinc/25/79/47/970257947.db2.gz CPONCNAVYWCBJG-MRXNPFEDSA-N 1 0 360.454 2.992 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000892730689 970259237 /nfs/dbraw/zinc/25/92/37/970259237.db2.gz TVMMHSYRQCSGLA-KFKAGJAMSA-N 1 0 364.461 2.808 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1OC ZINC000892974341 970453949 /nfs/dbraw/zinc/45/39/49/970453949.db2.gz CAILKWLBTACVLY-AWEZNQCLSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1OC ZINC000893032402 970520087 /nfs/dbraw/zinc/52/00/87/970520087.db2.gz MVIKEKAEZVGOMB-CQSZACIVSA-N 1 0 366.458 2.802 20 10 FFCDRO COc1ccc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)c(O)c1OC ZINC000895481280 970670348 /nfs/dbraw/zinc/67/03/48/970670348.db2.gz LYLQHWAZIDUQIL-LJQANCHMSA-N 1 0 358.438 2.798 20 10 FFCDRO Cn1ccnc1CN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000093108234 973217592 /nfs/dbraw/zinc/21/75/92/973217592.db2.gz FJCVIUSCUWKRCG-UHFFFAOYSA-N 1 0 353.514 2.728 20 10 FFCDRO C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000237293519 974083287 /nfs/dbraw/zinc/08/32/87/974083287.db2.gz FYTKGXUYRFWOSM-KRWDZBQOSA-N 1 0 359.514 2.507 20 10 FFCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000840956740 974278009 /nfs/dbraw/zinc/27/80/09/974278009.db2.gz CWLGIEZPXHWNOY-LJQANCHMSA-N 1 0 354.450 2.596 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000653051982 1014217268 /nfs/dbraw/zinc/21/72/68/1014217268.db2.gz QJZOZJQUZMSPAS-KDOFPFPSSA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CCCC1 ZINC000653162868 1014243184 /nfs/dbraw/zinc/24/31/84/1014243184.db2.gz PANQWCUNDXJDQT-IVZQSRNASA-N 1 0 369.509 2.972 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(-n3cncn3)cc2)N(C)C)cc1 ZINC000898451917 976460702 /nfs/dbraw/zinc/46/07/02/976460702.db2.gz RESGFLLFRLJFBC-NRFANRHFSA-N 1 0 364.497 2.726 20 10 FFCDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876654886 1014341833 /nfs/dbraw/zinc/34/18/33/1014341833.db2.gz SQWFCXPTSGZFTF-LJQANCHMSA-N 1 0 373.541 2.632 20 10 FFCDRO CCN(Cc1ccncc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899102580 976913636 /nfs/dbraw/zinc/91/36/36/976913636.db2.gz QWZLROINGWOJMF-HXUWFJFHSA-N 1 0 369.513 2.982 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000899103180 976913821 /nfs/dbraw/zinc/91/38/21/976913821.db2.gz XHOIIIQZYUIQTM-MOPGFXCFSA-N 1 0 362.518 2.566 20 10 FFCDRO O=c1c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cccn1C(F)F ZINC000876946890 1014430152 /nfs/dbraw/zinc/43/01/52/1014430152.db2.gz XMWQMRFQWJIYEK-UHFFFAOYSA-N 1 0 367.371 2.509 20 10 FFCDRO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000841151021 979306243 /nfs/dbraw/zinc/30/62/43/979306243.db2.gz RUDWMPUIMKKRBZ-UHFFFAOYSA-N 1 0 351.410 2.862 20 10 FFCDRO CNC(=O)C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877494863 1014601077 /nfs/dbraw/zinc/60/10/77/1014601077.db2.gz OPQVSAGTVJUBJU-OAQYLSRUSA-N 1 0 367.493 2.615 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CC3(O)CCCCC3)CC2)cc1 ZINC000905082447 980375693 /nfs/dbraw/zinc/37/56/93/980375693.db2.gz NNQDINGIEKQVKB-LJQANCHMSA-N 1 0 362.514 2.700 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC000905082164 980376195 /nfs/dbraw/zinc/37/61/95/980376195.db2.gz LOELVOFUNRBZMY-LJQANCHMSA-N 1 0 362.514 2.557 20 10 FFCDRO COc1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1Cn1cccn1 ZINC000877647977 1014659990 /nfs/dbraw/zinc/65/99/90/1014659990.db2.gz KFCRXTVBWMFVLA-OAQYLSRUSA-N 1 0 367.449 2.643 20 10 FFCDRO CO[C@H]1C[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)Cc3cccnc3N2C1 ZINC000877688863 1014682769 /nfs/dbraw/zinc/68/27/69/1014682769.db2.gz WIISUWIELCXIQZ-PMACEKPBSA-N 1 0 352.482 2.757 20 10 FFCDRO CCOc1ccc(O)c(C[NH+]2CCC(c3cc(C(=O)OC)on3)CC2)c1 ZINC000877703601 1014693248 /nfs/dbraw/zinc/69/32/48/1014693248.db2.gz AJLPICSCIAJUQV-UHFFFAOYSA-N 1 0 360.410 2.945 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906662948 981116010 /nfs/dbraw/zinc/11/60/10/981116010.db2.gz YMBHQWPIDDPUGU-UHFFFAOYSA-N 1 0 368.481 2.587 20 10 FFCDRO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877757404 1014715856 /nfs/dbraw/zinc/71/58/56/1014715856.db2.gz YBVQLEWFFXNRCK-CABCVRRESA-N 1 0 362.470 2.623 20 10 FFCDRO O=C1NCCC12CC[NH+](Cc1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2 ZINC000877783108 1014726473 /nfs/dbraw/zinc/72/64/73/1014726473.db2.gz DGGQSXOHSVTWSK-UHFFFAOYSA-N 1 0 372.469 2.687 20 10 FFCDRO CCCCN(Cc1ccccc1O)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908045067 981346893 /nfs/dbraw/zinc/34/68/93/981346893.db2.gz IWDBSEUTJQGFEV-UHFFFAOYSA-N 1 0 361.530 2.937 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000877985380 1014798633 /nfs/dbraw/zinc/79/86/33/1014798633.db2.gz XUBKLAPXGMGMID-RBBKRZOGSA-N 1 0 370.493 2.692 20 10 FFCDRO CCN(CC)c1ccc(CN(C)C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000826020401 1014847419 /nfs/dbraw/zinc/84/74/19/1014847419.db2.gz UBERMEWOXHLESF-HXUWFJFHSA-N 1 0 369.513 2.926 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841996556 982539230 /nfs/dbraw/zinc/53/92/30/982539230.db2.gz LNCYXFBUCFYNAR-HXUWFJFHSA-N 1 0 352.482 2.781 20 10 FFCDRO C[C@@H](Cc1cccnc1)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898310292 982679278 /nfs/dbraw/zinc/67/92/78/982679278.db2.gz VEBMDGNIRGEGOF-OXJNMPFZSA-N 1 0 369.513 2.681 20 10 FFCDRO C[C@@H]1CN(C(=O)CN(Cc2ccco2)Cc2ccccc2O)C[C@H](C)O1 ZINC000072952738 983953485 /nfs/dbraw/zinc/95/34/85/983953485.db2.gz GXJMGJRYMVGRME-IYBDPMFKSA-N 1 0 358.438 2.623 20 10 FFCDRO CCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878357651 1015002435 /nfs/dbraw/zinc/00/24/35/1015002435.db2.gz DVHFFBWSCXCIFB-AWEZNQCLSA-N 1 0 373.419 2.585 20 10 FFCDRO C[C@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(F)ccc1O ZINC000186076131 984089483 /nfs/dbraw/zinc/08/94/83/984089483.db2.gz ZDTQKJJBLRKCSP-HOCLYGCPSA-N 1 0 358.413 2.862 20 10 FFCDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000764482107 984521457 /nfs/dbraw/zinc/52/14/57/984521457.db2.gz ZOGLDBHJYOFMPJ-DLBZAZTESA-N 1 0 362.518 2.614 20 10 FFCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCOCC1 ZINC000765255587 985009971 /nfs/dbraw/zinc/00/99/71/985009971.db2.gz RBDZIDKLXMELHH-AZUAARDMSA-N 1 0 359.514 2.683 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4cccnn4)CC3)c2c1 ZINC000170638826 985102679 /nfs/dbraw/zinc/10/26/79/985102679.db2.gz SMJRHLJAETWLOX-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000765884353 986807584 /nfs/dbraw/zinc/80/75/84/986807584.db2.gz IVWBBWWFFXXLGL-HXUWFJFHSA-N 1 0 360.546 2.736 20 10 FFCDRO CCc1noc(C)c1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879027178 1015329982 /nfs/dbraw/zinc/32/99/82/1015329982.db2.gz UXQAZFHEPXZLAF-UHFFFAOYSA-N 1 0 357.458 2.619 20 10 FFCDRO CCC1(C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000176575666 987867684 /nfs/dbraw/zinc/86/76/84/987867684.db2.gz ZPYGGYAOAAEIKY-UHFFFAOYSA-N 1 0 359.514 2.904 20 10 FFCDRO C[NH+](C)CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccnc1 ZINC000922630172 988767106 /nfs/dbraw/zinc/76/71/06/988767106.db2.gz OBMDPVGNEFFLAV-OAQYLSRUSA-N 1 0 354.498 2.701 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC3(C2)OCCO3)ccc1N1CCCCC1 ZINC000922798667 988918597 /nfs/dbraw/zinc/91/85/97/988918597.db2.gz LFKONEOJJVPASK-UHFFFAOYSA-N 1 0 361.442 2.828 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1O)c1cccc(OC)c1 ZINC000186833526 989274878 /nfs/dbraw/zinc/27/48/78/989274878.db2.gz YHBXIFIINOKBHX-KRWDZBQOSA-N 1 0 358.438 2.919 20 10 FFCDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000917017068 990093996 /nfs/dbraw/zinc/09/39/96/990093996.db2.gz IYKAXZPIFJJSDX-LJQANCHMSA-N 1 0 374.456 2.786 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000920921572 990933153 /nfs/dbraw/zinc/93/31/53/990933153.db2.gz MJSVYUXLEBWZOM-HQRMLTQVSA-N 1 0 372.513 2.510 20 10 FFCDRO [NH3+]CC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCC1 ZINC000238060140 991456152 /nfs/dbraw/zinc/45/61/52/991456152.db2.gz JMJLMQNBRLKANA-CQSZACIVSA-N 1 0 367.440 2.892 20 10 FFCDRO C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000068549357 991467375 /nfs/dbraw/zinc/46/73/75/991467375.db2.gz WVLSWDDHLCUZCR-GOSISDBHSA-N 1 0 374.529 2.615 20 10 FFCDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000181425396 991762136 /nfs/dbraw/zinc/76/21/36/991762136.db2.gz WDGQEUQQDAZUBS-UHFFFAOYSA-N 1 0 362.470 2.982 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1O ZINC000074265248 1015705197 /nfs/dbraw/zinc/70/51/97/1015705197.db2.gz LTUDPBWUZUJEIQ-SFHVURJKSA-N 1 0 369.465 2.865 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000128327316 1015800939 /nfs/dbraw/zinc/80/09/39/1015800939.db2.gz YTTAZZMQGNCOSO-QGZVFWFLSA-N 1 0 353.470 2.534 20 10 FFCDRO C[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000808743561 994250911 /nfs/dbraw/zinc/25/09/11/994250911.db2.gz IIDPXMLBFZYIOD-KRWDZBQOSA-N 1 0 363.465 2.955 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000747556101 994502248 /nfs/dbraw/zinc/50/22/48/994502248.db2.gz GMCRGEKMUWTDJN-UHFFFAOYSA-N 1 0 358.490 2.613 20 10 FFCDRO COc1ccc(O)c(C[N@H+](C)CCN2CCN(Cc3ccccc3)CC2)c1 ZINC000809694415 994570678 /nfs/dbraw/zinc/57/06/78/994570678.db2.gz OAFVWUCUMTZWHV-UHFFFAOYSA-N 1 0 369.509 2.650 20 10 FFCDRO Oc1ccc(F)cc1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000809700688 994572400 /nfs/dbraw/zinc/57/24/00/994572400.db2.gz MHQIBGUFXHNLPF-NRFANRHFSA-N 1 0 369.484 2.923 20 10 FFCDRO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000809713463 994590095 /nfs/dbraw/zinc/59/00/95/994590095.db2.gz HPWBUIPXQNUMFG-UHFFFAOYSA-N 1 0 359.514 2.748 20 10 FFCDRO Cc1noc([C@@H]2CCCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000809717992 994592842 /nfs/dbraw/zinc/59/28/42/994592842.db2.gz DMDIQRVAIPQRNG-IBGZPJMESA-N 1 0 355.486 2.857 20 10 FFCDRO COc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1O ZINC000809739929 994601070 /nfs/dbraw/zinc/60/10/70/994601070.db2.gz GVONYCBGZCHHPY-UHFFFAOYSA-N 1 0 368.393 2.999 20 10 FFCDRO CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)[nH]n1 ZINC001082429628 994608720 /nfs/dbraw/zinc/60/87/20/994608720.db2.gz CAOFGGQWECODIQ-RDTXWAMCSA-N 1 0 356.470 2.539 20 10 FFCDRO CCn1nccc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086682004 994893955 /nfs/dbraw/zinc/89/39/55/994893955.db2.gz SIWKWHPQRRCWSK-ZWKOTPCHSA-N 1 0 370.497 2.908 20 10 FFCDRO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)cn1 ZINC001082630407 995123077 /nfs/dbraw/zinc/12/30/77/995123077.db2.gz UFUTUKASELSCRB-CRAIPNDOSA-N 1 0 369.465 2.658 20 10 FFCDRO CC(C)OCc1nc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000811518153 995162910 /nfs/dbraw/zinc/16/29/10/995162910.db2.gz IDKIMJQZRJOZKR-INIZCTEOSA-N 1 0 373.501 2.597 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC000811502886 995169173 /nfs/dbraw/zinc/16/91/73/995169173.db2.gz LKGIOFSMWUEOAM-UHFFFAOYSA-N 1 0 360.502 2.796 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCc3cccc(C(N)=O)c3)CC2)cc1 ZINC000812830590 995546809 /nfs/dbraw/zinc/54/68/09/995546809.db2.gz KMPWAABOKBRQLY-UHFFFAOYSA-N 1 0 353.466 2.595 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@H]2C)cc1C ZINC001082808820 995554243 /nfs/dbraw/zinc/55/42/43/995554243.db2.gz FUHLVAFYHQOWPY-SJLPKXTDSA-N 1 0 360.498 2.757 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747839809 995634883 /nfs/dbraw/zinc/63/48/83/995634883.db2.gz DZCVJCXHXLUORV-HXUWFJFHSA-N 1 0 359.514 2.745 20 10 FFCDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000727465642 995831262 /nfs/dbraw/zinc/83/12/62/995831262.db2.gz NLYUMNXMAVAFPU-UHFFFAOYSA-N 1 0 371.456 2.654 20 10 FFCDRO CCCn1nccc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000826719576 1016024001 /nfs/dbraw/zinc/02/40/01/1016024001.db2.gz PAISXHBJTIOLQX-UHFFFAOYSA-N 1 0 373.476 2.504 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C)n(C)c3C)cc2F)CC1 ZINC000730235417 997001328 /nfs/dbraw/zinc/00/13/28/997001328.db2.gz XCHIQNPWUYHNAG-UHFFFAOYSA-N 1 0 372.488 2.853 20 10 FFCDRO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C)N1CCO ZINC000824926949 997149720 /nfs/dbraw/zinc/14/97/20/997149720.db2.gz XRYUGZOHRIIABE-HDICACEKSA-N 1 0 370.493 2.858 20 10 FFCDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000826845122 1016100526 /nfs/dbraw/zinc/10/05/26/1016100526.db2.gz FYCFFLQMCRTJLP-QGZVFWFLSA-N 1 0 370.449 2.616 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3nc(-c4ccccn4)n[nH]3)CC2)cc1 ZINC000825188838 997266303 /nfs/dbraw/zinc/26/63/03/997266303.db2.gz QDXJDNVYVURVBD-UHFFFAOYSA-N 1 0 364.453 2.634 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000844302202 997781871 /nfs/dbraw/zinc/78/18/71/997781871.db2.gz FHJGEZKZHKJRCE-LEWJYISDSA-N 1 0 371.525 2.760 20 10 FFCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000732242793 998549060 /nfs/dbraw/zinc/54/90/60/998549060.db2.gz IPRTWFCJKRBDOC-YLJYHZDGSA-N 1 0 374.529 2.758 20 10 FFCDRO COc1cc(N2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)ccc1Cl ZINC001144515586 998627777 /nfs/dbraw/zinc/62/77/77/998627777.db2.gz RFUMOTRPXPEJEQ-UHFFFAOYSA-N 1 0 364.829 2.788 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC3(C)C)cc2F)CC1 ZINC000732825933 998791814 /nfs/dbraw/zinc/79/18/14/998791814.db2.gz CBLXKEVNONVLTJ-MRXNPFEDSA-N 1 0 362.493 2.813 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C)n2cccn2)cc1C ZINC001085138830 999008461 /nfs/dbraw/zinc/00/84/61/999008461.db2.gz QHXYUDKSKMVXOJ-BHIYHBOVSA-N 1 0 370.497 2.978 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2ccc(C)n2)cc1C ZINC001085336630 999385176 /nfs/dbraw/zinc/38/51/76/999385176.db2.gz HRKBSTGFGRLDOL-RTBURBONSA-N 1 0 370.497 2.726 20 10 FFCDRO C[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000766239588 999655925 /nfs/dbraw/zinc/65/59/25/999655925.db2.gz MUXOZBKQVLDVLY-NRFANRHFSA-N 1 0 371.525 2.746 20 10 FFCDRO CCOC(=O)[C@H]1CC[C@H](N2CCc3c(c4cc(OC)ccc4n3C)C2)CO1 ZINC001169407136 1000043919 /nfs/dbraw/zinc/04/39/19/1000043919.db2.gz ZKONYLQRMXPZAO-VBKZILBWSA-N 1 0 372.465 2.656 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@]2(O)CCCOC2)ccc1N1CCCCC1 ZINC000846109374 1000202676 /nfs/dbraw/zinc/20/26/76/1000202676.db2.gz HQHVUUMZWMANNW-IBGZPJMESA-N 1 0 363.458 2.606 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000846203231 1000229827 /nfs/dbraw/zinc/22/98/27/1000229827.db2.gz RTRLJBCQYOWQTM-UHFFFAOYSA-N 1 0 374.460 2.571 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768447950 1000250489 /nfs/dbraw/zinc/25/04/89/1000250489.db2.gz RYMNOJACQADSSD-JXXFODFXSA-N 1 0 360.498 2.904 20 10 FFCDRO Oc1cc2c(cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)[C@@H](O)CO2 ZINC000768464927 1000263051 /nfs/dbraw/zinc/26/30/51/1000263051.db2.gz XMSBTCMECCQRMK-XLIONFOSSA-N 1 0 355.434 2.652 20 10 FFCDRO C[C@H](COCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000846663904 1000404092 /nfs/dbraw/zinc/40/40/92/1000404092.db2.gz RFKYNSGGCABMPO-OXQOHEQNSA-N 1 0 355.482 2.689 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000769007783 1000416169 /nfs/dbraw/zinc/41/61/69/1000416169.db2.gz WQCOMMYBWGVQNT-HKUYNNGSSA-N 1 0 361.530 2.896 20 10 FFCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769405304 1000508576 /nfs/dbraw/zinc/50/85/76/1000508576.db2.gz VYPJEPBRJPKLBK-MRXNPFEDSA-N 1 0 360.458 2.543 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(O)c1 ZINC000769461936 1000526029 /nfs/dbraw/zinc/52/60/29/1000526029.db2.gz COGMTKANXACXEV-CQSZACIVSA-N 1 0 358.398 2.781 20 10 FFCDRO COCCOc1ccccc1N1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769519115 1000539948 /nfs/dbraw/zinc/53/99/48/1000539948.db2.gz KYMOQOSFXHOLHE-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc4[nH]c(=O)oc4c3)c2)CC1 ZINC000770149486 1000693385 /nfs/dbraw/zinc/69/33/85/1000693385.db2.gz XURQRXSRISXUBT-UHFFFAOYSA-N 1 0 366.421 2.928 20 10 FFCDRO Cc1cc(N2CCN(C(=O)c3cccc(O)c3O)CC2)c2ccccc2[nH+]1 ZINC001148212386 1001068214 /nfs/dbraw/zinc/06/82/14/1001068214.db2.gz YODVYJUBDSBSLJ-UHFFFAOYSA-N 1 0 363.417 2.917 20 10 FFCDRO COc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1NC(N)=O ZINC000785557454 1001453284 /nfs/dbraw/zinc/45/32/84/1001453284.db2.gz CVHRLLMRUSGQDR-UHFFFAOYSA-N 1 0 369.469 2.550 20 10 FFCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787420583 1001688826 /nfs/dbraw/zinc/68/88/26/1001688826.db2.gz JDEBLJVYXMRRSK-ZBFHGGJFSA-N 1 0 361.442 2.969 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000787997038 1001742275 /nfs/dbraw/zinc/74/22/75/1001742275.db2.gz VSCYFLAWBDCFED-TYPHKJRUSA-N 1 0 371.525 2.648 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C)c(F)c3)CC2)cc1 ZINC000788434865 1001799955 /nfs/dbraw/zinc/79/99/55/1001799955.db2.gz KWSLMNJWLOWBRZ-GOSISDBHSA-N 1 0 374.456 2.705 20 10 FFCDRO O=S1(=O)C[C@H](C[NH2+]Cc2ccc3ccccc3c2O)Oc2ccccc21 ZINC001182523084 1001949881 /nfs/dbraw/zinc/94/98/81/1001949881.db2.gz XSMJLRSEVYKQLG-INIZCTEOSA-N 1 0 369.442 2.870 20 10 FFCDRO COCC[N@@H+]1CCN(Cc2c(O)cccc2Br)C(C)(C)C1 ZINC001182685609 1002011612 /nfs/dbraw/zinc/01/16/12/1002011612.db2.gz SKAITXUWANPCRY-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001182864736 1002078350 /nfs/dbraw/zinc/07/83/50/1002078350.db2.gz KZVOTWIRDYLAAU-NWDGAFQWSA-N 1 0 361.360 2.883 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC001183418696 1002268179 /nfs/dbraw/zinc/26/81/79/1002268179.db2.gz COXWOIVDRIZGMY-UHFFFAOYSA-N 1 0 367.449 2.857 20 10 FFCDRO CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000793455554 1003386839 /nfs/dbraw/zinc/38/68/39/1003386839.db2.gz DVRPAUSYLRPQBT-BEFAXECRSA-N 1 0 365.493 2.645 20 10 FFCDRO CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000793455559 1003387155 /nfs/dbraw/zinc/38/71/55/1003387155.db2.gz DVRPAUSYLRPQBT-HNAYVOBHSA-N 1 0 365.493 2.645 20 10 FFCDRO COCCC1([NH3+])CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2O)CC1 ZINC001186851150 1003436854 /nfs/dbraw/zinc/43/68/54/1003436854.db2.gz UFLKAZBHFNTVMY-UHFFFAOYSA-N 1 0 371.481 2.770 20 10 FFCDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793734245 1003485837 /nfs/dbraw/zinc/48/58/37/1003485837.db2.gz SVOLKTUGYGKTDV-DJJJIMSYSA-N 1 0 358.413 2.668 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000804812307 1003857969 /nfs/dbraw/zinc/85/79/69/1003857969.db2.gz GUWXKGXIGJXWAP-UVMHCMFPSA-N 1 0 359.426 2.844 20 10 FFCDRO COc1cc([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)cc1OC ZINC000804812191 1003858122 /nfs/dbraw/zinc/85/81/22/1003858122.db2.gz KWPSAGAWXOXLJX-UHFFFAOYSA-N 1 0 357.410 2.933 20 10 FFCDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(O)c1O ZINC001193114454 1004378064 /nfs/dbraw/zinc/37/80/64/1004378064.db2.gz RADMAFMOUPNVGL-MRXNPFEDSA-N 1 0 370.449 2.748 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000806809535 1004420421 /nfs/dbraw/zinc/42/04/21/1004420421.db2.gz BECQAMXTQYWWKD-LIRRHRJNSA-N 1 0 357.454 2.891 20 10 FFCDRO O=C(c1cc(O)c([O-])c(Cl)c1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001193612728 1004523723 /nfs/dbraw/zinc/52/37/23/1004523723.db2.gz RZRYGDIRUCAWFW-UHFFFAOYSA-N 1 0 365.792 2.684 20 10 FFCDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833978 1004572010 /nfs/dbraw/zinc/57/20/10/1004572010.db2.gz NPCDBRQBTBBLSC-JXFKEZNVSA-N 1 0 358.482 2.990 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000775847579 1004606434 /nfs/dbraw/zinc/60/64/34/1004606434.db2.gz APONSBKSABYGRF-UHFFFAOYSA-N 1 0 359.514 2.604 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)[nH]3)C2)cc1C ZINC001086660833 1004778454 /nfs/dbraw/zinc/77/84/54/1004778454.db2.gz KRHKCNLLYGOVPO-DLBZAZTESA-N 1 0 356.470 2.723 20 10 FFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(OC)ccc3O)[C@H](C)C2)cc1 ZINC000775666374 1005007456 /nfs/dbraw/zinc/00/74/56/1005007456.db2.gz WZODTKPJYIBZMS-OAHLLOKOSA-N 1 0 370.449 2.898 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]3C(C)C)cc2F)CC1 ZINC000776042349 1005064860 /nfs/dbraw/zinc/06/48/60/1005064860.db2.gz SLXSUFWDDNHHAG-GOSISDBHSA-N 1 0 362.493 2.908 20 10 FFCDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)ccc2CS(C)(=O)=O)cc1F ZINC001200881062 1005139060 /nfs/dbraw/zinc/13/90/60/1005139060.db2.gz YWZOUNRESDZVON-UHFFFAOYSA-N 1 0 368.449 2.865 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C12CCC2 ZINC000776156924 1005201562 /nfs/dbraw/zinc/20/15/62/1005201562.db2.gz OMHCKPBWWIRACP-DFQSSKMNSA-N 1 0 371.525 2.826 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1(C)C ZINC000776160036 1005207727 /nfs/dbraw/zinc/20/77/27/1005207727.db2.gz ZLKYEZUBOYWLQM-QXAKKESOSA-N 1 0 359.514 2.682 20 10 FFCDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000776248410 1005317260 /nfs/dbraw/zinc/31/72/60/1005317260.db2.gz ZZLUIBHSDUGIQJ-LPHOPBHVSA-N 1 0 362.518 2.566 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3OC)cc2F)CC1 ZINC000106701968 1005356461 /nfs/dbraw/zinc/35/64/61/1005356461.db2.gz ARGZGXKQSKQBOU-UHFFFAOYSA-N 1 0 371.456 2.906 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc1 ZINC000850396298 1005813053 /nfs/dbraw/zinc/81/30/53/1005813053.db2.gz ITTRSZYDXJTFPN-MRXNPFEDSA-N 1 0 359.514 2.901 20 10 FFCDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850423581 1005814615 /nfs/dbraw/zinc/81/46/15/1005814615.db2.gz BXWNAUCOTHQIGQ-GOSISDBHSA-N 1 0 366.477 2.584 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccc(-n4cnnn4)c3)C2)cc1 ZINC000850486202 1005818148 /nfs/dbraw/zinc/81/81/48/1005818148.db2.gz AUVKJJGYXGMWNU-WBVHZDCISA-N 1 0 364.453 2.600 20 10 FFCDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567014 1005822924 /nfs/dbraw/zinc/82/29/24/1005822924.db2.gz WKJLMTXMHMMZEQ-IBGZPJMESA-N 1 0 353.466 2.916 20 10 FFCDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567157 1005822968 /nfs/dbraw/zinc/82/29/68/1005822968.db2.gz XMCVPBFAYJQCQU-HXUWFJFHSA-N 1 0 354.494 2.995 20 10 FFCDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000850568296 1005823037 /nfs/dbraw/zinc/82/30/37/1005823037.db2.gz UYHSKPXXGYZGHS-MRXNPFEDSA-N 1 0 355.482 2.772 20 10 FFCDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565161 1005823131 /nfs/dbraw/zinc/82/31/31/1005823131.db2.gz BQEIZPBJYUKBCF-SFHVURJKSA-N 1 0 373.541 2.919 20 10 FFCDRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1F ZINC000850865557 1005847269 /nfs/dbraw/zinc/84/72/69/1005847269.db2.gz PURPAJNQNCRIME-IAGOWNOFSA-N 1 0 369.400 2.938 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000851657064 1005903886 /nfs/dbraw/zinc/90/38/86/1005903886.db2.gz VNECWEWGFJEBBH-LJQANCHMSA-N 1 0 358.530 2.982 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)C[NH+]3CCCCC3)C2)cc1 ZINC000852185408 1005948490 /nfs/dbraw/zinc/94/84/90/1005948490.db2.gz XTRYZPKYCHCAKN-MSOLQXFVSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C2)cc1 ZINC000852452683 1006034941 /nfs/dbraw/zinc/03/49/41/1006034941.db2.gz DGTMWHUZFBURNA-QGZVFWFLSA-N 1 0 362.518 2.692 20 10 FFCDRO CNC(=O)Oc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000813791595 1006040411 /nfs/dbraw/zinc/04/04/11/1006040411.db2.gz MHKFOLYOOZIHGG-UHFFFAOYSA-N 1 0 354.454 2.769 20 10 FFCDRO COC1CCN(c2ccc(Cn3cc([C@@H]([NH3+])C(C)(C)C)nn3)cc2)CC1 ZINC000881379920 1006074152 /nfs/dbraw/zinc/07/41/52/1006074152.db2.gz CVBCWAHYNSVAFH-LJQANCHMSA-N 1 0 357.502 2.988 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852777116 1006178172 /nfs/dbraw/zinc/17/81/72/1006178172.db2.gz IQMULZSRHDSANI-KRWDZBQOSA-N 1 0 367.497 2.749 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2OC(F)(F)O3)cc1 ZINC000852791985 1006186099 /nfs/dbraw/zinc/18/60/99/1006186099.db2.gz ONEBGXVWHOUCHO-CQSZACIVSA-N 1 0 363.364 2.504 20 10 FFCDRO O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1cccc(O)c1O ZINC000882395639 1006383017 /nfs/dbraw/zinc/38/30/17/1006383017.db2.gz VYQNQGUGAMEICP-MRXNPFEDSA-N 1 0 353.422 2.635 20 10 FFCDRO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001134681942 1006444639 /nfs/dbraw/zinc/44/46/39/1006444639.db2.gz OCCBLUTZBUJOPK-IBGZPJMESA-N 1 0 370.497 2.968 20 10 FFCDRO CCOc1ccc(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)nn1 ZINC000853614010 1006476880 /nfs/dbraw/zinc/47/68/80/1006476880.db2.gz QWZLMUWHIUBXSC-UHFFFAOYSA-N 1 0 368.481 2.782 20 10 FFCDRO Clc1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000130288387 1006532542 /nfs/dbraw/zinc/53/25/42/1006532542.db2.gz ZDFRADMMLOGHEK-UHFFFAOYSA-N 1 0 372.900 2.894 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)cc1F ZINC000775200996 1006739515 /nfs/dbraw/zinc/73/95/15/1006739515.db2.gz ABROJEFHOFMQLZ-QZTJIDSGSA-N 1 0 368.493 2.518 20 10 FFCDRO Cc1nc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)sc1C ZINC000883484349 1006810991 /nfs/dbraw/zinc/81/09/91/1006810991.db2.gz NXMNCWGDEJHJCF-UHFFFAOYSA-N 1 0 373.526 2.511 20 10 FFCDRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775261482 1007117175 /nfs/dbraw/zinc/11/71/75/1007117175.db2.gz VLBPZQWLVXVAAD-INIZCTEOSA-N 1 0 373.522 2.860 20 10 FFCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(C)(=O)=O ZINC000816565617 1007120347 /nfs/dbraw/zinc/12/03/47/1007120347.db2.gz VWLDVNSLMAFCTA-UHFFFAOYSA-N 1 0 373.522 2.762 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000113343265 1007342748 /nfs/dbraw/zinc/34/27/48/1007342748.db2.gz VQTNKJFXBQDAMC-KRWDZBQOSA-N 1 0 361.486 2.622 20 10 FFCDRO C[NH+](C)CCn1cc(-c2ncccc2C(=O)N2CCc3ccccc32)cn1 ZINC001206323784 1032228486 /nfs/dbraw/zinc/22/84/86/1032228486.db2.gz JHHMBYZWMKCYGT-UHFFFAOYSA-N 1 0 361.449 2.710 20 10 FFCDRO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000817376937 1007569770 /nfs/dbraw/zinc/56/97/70/1007569770.db2.gz GAUFGAPVRJTWNT-GOSISDBHSA-N 1 0 371.433 3.000 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000775372628 1007578399 /nfs/dbraw/zinc/57/83/99/1007578399.db2.gz DTMFBQWNXJHMRG-QWHCGFSZSA-N 1 0 363.458 2.598 20 10 FFCDRO COc1cc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)cc1Br ZINC001206369988 1032258227 /nfs/dbraw/zinc/25/82/27/1032258227.db2.gz JZEAAYRCDUPZSL-OAHLLOKOSA-N 1 0 361.255 2.816 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)cc1F ZINC000818634058 1007956593 /nfs/dbraw/zinc/95/65/93/1007956593.db2.gz KMOBYOYHXNPEOP-UHFFFAOYSA-N 1 0 372.444 2.956 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000114593903 1007970340 /nfs/dbraw/zinc/97/03/40/1007970340.db2.gz OEHBBESOZHJBIJ-KRWDZBQOSA-N 1 0 373.453 2.939 20 10 FFCDRO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000818984780 1007999969 /nfs/dbraw/zinc/99/99/69/1007999969.db2.gz HAKYXBFOPQOVNK-KRWDZBQOSA-N 1 0 360.429 2.624 20 10 FFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164655 1008053504 /nfs/dbraw/zinc/05/35/04/1008053504.db2.gz LQXTXRUVVFCQSY-IYBDPMFKSA-N 1 0 359.470 2.524 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNc3ccc(C)cc3)CC2)cc1 ZINC000819388382 1008132422 /nfs/dbraw/zinc/13/24/22/1008132422.db2.gz AONADQKDMKFMKO-FQEVSTJZSA-N 1 0 355.482 2.599 20 10 FFCDRO Fc1cc(C[NH2+]CC2CCN(CC(F)F)CC2)ccc1N1CCOCC1 ZINC000857784474 1008208853 /nfs/dbraw/zinc/20/88/53/1008208853.db2.gz HUYUJYHZTTWDDX-UHFFFAOYSA-N 1 0 371.447 2.729 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1O ZINC000858489947 1008368344 /nfs/dbraw/zinc/36/83/44/1008368344.db2.gz PZODXNIQNIGQCL-TZMCWYRMSA-N 1 0 372.860 2.721 20 10 FFCDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000858677088 1008402116 /nfs/dbraw/zinc/40/21/16/1008402116.db2.gz BVXMXDBXSQCCSM-KRWDZBQOSA-N 1 0 353.466 2.978 20 10 FFCDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000858677870 1008402708 /nfs/dbraw/zinc/40/27/08/1008402708.db2.gz NZGQGDULDZAUHN-LJQANCHMSA-N 1 0 367.493 2.907 20 10 FFCDRO COc1ccc(F)c(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000886324846 1008637949 /nfs/dbraw/zinc/63/79/49/1008637949.db2.gz JLADVFAFSPWLJY-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)n1 ZINC000886746862 1008856716 /nfs/dbraw/zinc/85/67/16/1008856716.db2.gz DSTOONWKECDVRW-AWEZNQCLSA-N 1 0 367.497 2.646 20 10 FFCDRO Fc1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cnc1N1CCOCC1 ZINC001178436960 1008972451 /nfs/dbraw/zinc/97/24/51/1008972451.db2.gz ZVBUHSCIASMASR-UHFFFAOYSA-N 1 0 370.472 2.947 20 10 FFCDRO Cc1cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)ccc1N1CCCCC1 ZINC000823650238 1009157049 /nfs/dbraw/zinc/15/70/49/1009157049.db2.gz UPJRJQLBIDQWTM-UHFFFAOYSA-N 1 0 356.514 2.975 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](c4nccn4C)C3)CC2)cc1 ZINC001178931984 1009178663 /nfs/dbraw/zinc/17/86/63/1009178663.db2.gz URFSPKXTROYJMO-XLIONFOSSA-N 1 0 370.497 2.907 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001179683904 1009418058 /nfs/dbraw/zinc/41/80/58/1009418058.db2.gz DQIYKFKKPGMREK-SOFGYWHQSA-N 1 0 350.418 2.779 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000861809465 1009566179 /nfs/dbraw/zinc/56/61/79/1009566179.db2.gz VNOOBJKRQLLSKE-GHTZIAJQSA-N 1 0 365.477 2.612 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]Cc3ccnc(F)c3C)CC2)cc1 ZINC000862262556 1009770969 /nfs/dbraw/zinc/77/09/69/1009770969.db2.gz ADELCZIGRWKDEE-UHFFFAOYSA-N 1 0 372.488 2.840 20 10 FFCDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000862552264 1009879236 /nfs/dbraw/zinc/87/92/36/1009879236.db2.gz UUXWQJZUUWMPEH-MRXNPFEDSA-N 1 0 374.506 2.820 20 10 FFCDRO CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000863552013 1010251990 /nfs/dbraw/zinc/25/19/90/1010251990.db2.gz VIWBURAUIXXXKY-UHFFFAOYSA-N 1 0 361.482 2.974 20 10 FFCDRO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000119576540 1010282813 /nfs/dbraw/zinc/28/28/13/1010282813.db2.gz GOMARGQLLREMTD-OXJNMPFZSA-N 1 0 353.466 2.791 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccco3)cc2F)CC1 ZINC000863867076 1010346253 /nfs/dbraw/zinc/34/62/53/1010346253.db2.gz UWEKZOYXRHMHGO-IAGOWNOFSA-N 1 0 371.456 2.981 20 10 FFCDRO CCc1cc(C(=O)N2C[C@@H](C[NH2+]Cc3ccc(OC)c(C)c3)[C@H](C)C2)[nH]n1 ZINC001093647611 1010412543 /nfs/dbraw/zinc/41/25/43/1010412543.db2.gz YCSFTHVFSHWORD-NVXWUHKLSA-N 1 0 370.497 2.787 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3ccn(C)c3)C[C@H]2C)cc1C ZINC001093715741 1010493102 /nfs/dbraw/zinc/49/31/02/1010493102.db2.gz PFCUQULMECKPCH-VQIMIIECSA-N 1 0 355.482 2.840 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3coc(C)n3)C[C@H]2C)cc1C ZINC001093733906 1010510008 /nfs/dbraw/zinc/51/00/08/1010510008.db2.gz RYLJCONZQNXYIK-RHSMWYFYSA-N 1 0 357.454 2.798 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC001204339300 1010547288 /nfs/dbraw/zinc/54/72/88/1010547288.db2.gz FGBKDTVRMHITPK-ZYHUDNBSSA-N 1 0 372.259 2.794 20 10 FFCDRO O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000865331733 1010764990 /nfs/dbraw/zinc/76/49/90/1010764990.db2.gz AHAJJRWUWSNYCN-SFHVURJKSA-N 1 0 371.481 2.954 20 10 FFCDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000121181098 1011038872 /nfs/dbraw/zinc/03/88/72/1011038872.db2.gz RBPOVRQVWKYXPD-UHFFFAOYSA-N 1 0 365.493 2.693 20 10 FFCDRO CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC[N@@H+]1C ZINC000868149265 1011182198 /nfs/dbraw/zinc/18/21/98/1011182198.db2.gz ZHURASNDXGVHAM-FXAWDEMLSA-N 1 0 374.529 2.566 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)CC1 ZINC000796304641 1011740798 /nfs/dbraw/zinc/74/07/98/1011740798.db2.gz KKBISAVWILEMLF-UHFFFAOYSA-N 1 0 370.474 2.957 20 10 FFCDRO O=C1N(CCC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1cc(O)ccc1O ZINC001275035627 1011843404 /nfs/dbraw/zinc/84/34/04/1011843404.db2.gz ZLKBBIMNGFBAPH-MRXNPFEDSA-N 1 0 358.360 2.617 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1 ZINC000828043677 1032584395 /nfs/dbraw/zinc/58/43/95/1032584395.db2.gz CBVXZNZUUPIWIZ-UHFFFAOYSA-N 1 0 352.394 2.619 20 10 FFCDRO O=C(CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O)c1cccs1 ZINC001275231628 1012111534 /nfs/dbraw/zinc/11/15/34/1012111534.db2.gz DMBZWFMNGPQCIC-HXUWFJFHSA-N 1 0 370.474 2.761 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c1O ZINC001275244349 1012134259 /nfs/dbraw/zinc/13/42/59/1012134259.db2.gz HCBRDBHXXHSAGP-UHFFFAOYSA-N 1 0 368.424 2.871 20 10 FFCDRO COCCCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001275253586 1012152447 /nfs/dbraw/zinc/15/24/47/1012152447.db2.gz CYFGBSDNWCPCKC-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cc[nH]c2)cc1 ZINC001275267001 1012178313 /nfs/dbraw/zinc/17/83/13/1012178313.db2.gz XIUQNGPNHFMABA-WOJBJXKFSA-N 1 0 352.482 2.846 20 10 FFCDRO CCOCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001275385067 1012402709 /nfs/dbraw/zinc/40/27/09/1012402709.db2.gz AWRGFXGQQCBXNV-UHFFFAOYSA-N 1 0 360.498 2.942 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275386829 1012405627 /nfs/dbraw/zinc/40/56/27/1012405627.db2.gz ZQRRDINTBFMSBK-NRFANRHFSA-N 1 0 360.498 2.942 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC2CCCC2)C(=O)CO3)c(O)c1 ZINC001275388898 1012405726 /nfs/dbraw/zinc/40/57/26/1012405726.db2.gz XQJLHKCCUTYQAS-OAQYLSRUSA-N 1 0 358.482 2.694 20 10 FFCDRO COCCCN1CC[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)CC2)C1=O ZINC001275387553 1012408112 /nfs/dbraw/zinc/40/81/12/1012408112.db2.gz GQNJYCCSPGLTFM-OAQYLSRUSA-N 1 0 360.498 2.942 20 10 FFCDRO COCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N(C)C)cc1)CC2 ZINC001275596757 1012671550 /nfs/dbraw/zinc/67/15/50/1012671550.db2.gz BVPDZTXFLMCXES-IBGZPJMESA-N 1 0 359.514 2.507 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3c(C)ccc(C)c3O)CC2)C1=O ZINC001275770902 1012986721 /nfs/dbraw/zinc/98/67/21/1012986721.db2.gz HQYPEPQXIFZZHI-UHFFFAOYSA-N 1 0 360.498 2.860 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1ccccc1O)c1nccn12 ZINC000924903955 1017541110 /nfs/dbraw/zinc/54/11/10/1017541110.db2.gz YOWRPGMOALWXFB-OAHLLOKOSA-N 1 0 370.453 2.769 20 10 FFCDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827365995 1017782500 /nfs/dbraw/zinc/78/25/00/1017782500.db2.gz XDIBQOUOXIBYOS-GOSISDBHSA-N 1 0 363.477 2.576 20 10 FFCDRO CN(C)c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000827698655 1018618008 /nfs/dbraw/zinc/61/80/08/1018618008.db2.gz AFGNPIUMJXEUIN-KRWDZBQOSA-N 1 0 371.447 2.802 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000382469945 1019062775 /nfs/dbraw/zinc/06/27/75/1019062775.db2.gz PAUPFOAKHDXOLW-OCCSQVGLSA-N 1 0 364.442 2.904 20 10 FFCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000801598142 1019159359 /nfs/dbraw/zinc/15/93/59/1019159359.db2.gz VKSQXKLMBIXYAV-QGZVFWFLSA-N 1 0 356.470 2.923 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000930292012 1019967118 /nfs/dbraw/zinc/96/71/18/1019967118.db2.gz ZZWQEYZGFSEZPZ-HXUWFJFHSA-N 1 0 353.466 2.572 20 10 FFCDRO Cc1cc(F)cc2c1CN(CC(=O)NCc1ccc(N(C)C)cc1)CC2 ZINC000800472494 1020340677 /nfs/dbraw/zinc/34/06/77/1020340677.db2.gz QLMGICACVLNLIC-UHFFFAOYSA-N 1 0 355.457 2.875 20 10 FFCDRO C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(N2CCOCC2)cc1 ZINC000900386670 1020396467 /nfs/dbraw/zinc/39/64/67/1020396467.db2.gz BYMCLZPEANFKBO-DBVUQKKJSA-N 1 0 357.498 2.717 20 10 FFCDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000726238613 1020440423 /nfs/dbraw/zinc/44/04/23/1020440423.db2.gz PXJWIYYXGPEBEL-SJORKVTESA-N 1 0 358.530 2.989 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000726980884 1020564107 /nfs/dbraw/zinc/56/41/07/1020564107.db2.gz HPDUABAXIYGOFF-UHFFFAOYSA-N 1 0 351.450 2.871 20 10 FFCDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000931785458 1020586666 /nfs/dbraw/zinc/58/66/66/1020586666.db2.gz SHWDKLVDBDPDJQ-HOCLYGCPSA-N 1 0 362.437 2.564 20 10 FFCDRO COc1c(C)c(O[C@H]2C[NH2+]CC[C@@H]2F)cc2c1C(=O)c1ccccc1C2=O ZINC001217961207 1032920874 /nfs/dbraw/zinc/92/08/74/1032920874.db2.gz ZMFRKTVDLMJKGL-RDJZCZTQSA-N 1 0 369.392 2.858 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CCC[NH2+]CC1)C(=O)c1ccccc1C2=O ZINC001217997818 1032940352 /nfs/dbraw/zinc/94/03/52/1032940352.db2.gz XMGMECRHQUILAE-ZDUSSCGKSA-N 1 0 351.402 2.992 20 10 FFCDRO COC(=O)[C@]12C[C@H]1CCCN2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000933167036 1020969973 /nfs/dbraw/zinc/96/99/73/1020969973.db2.gz PMPSEBCKVJKMJT-UTKZUKDTSA-N 1 0 358.482 2.829 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c1ccc(O)c2O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218013706 1032951639 /nfs/dbraw/zinc/95/16/39/1032951639.db2.gz CIGXRECXOBLCDP-HOCLYGCPSA-N 1 0 355.365 2.637 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@H]3CC[NH2+]CC[C@H]3F)ccc(O)c21 ZINC001218017836 1032956764 /nfs/dbraw/zinc/95/67/64/1032956764.db2.gz WLCSEEVHUGJHPN-HIFRSBDPSA-N 1 0 355.365 2.637 20 10 FFCDRO COc1cc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)ccc1OCC(N)=O ZINC001116584395 1021295229 /nfs/dbraw/zinc/29/52/29/1021295229.db2.gz FGJLXIZPGKIXSN-HIFRSBDPSA-N 1 0 370.449 2.911 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[NH2+][C@@H](C)C1)C(=O)c1ccccc1C2=O ZINC001218059472 1032973170 /nfs/dbraw/zinc/97/31/70/1032973170.db2.gz JNGOXFLCCCPGMK-STQMWFEESA-N 1 0 351.402 2.990 20 10 FFCDRO C[C@H]1Cc2ccc3c(c2C(=O)C1)C(=O)c1cccc(OC2C[NH2+]C2)c1C3=O ZINC001218053281 1032973877 /nfs/dbraw/zinc/97/38/77/1032973877.db2.gz VMGUIHLYFJYQAS-NSHDSACASA-N 1 0 361.397 2.578 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218068768 1032977433 /nfs/dbraw/zinc/97/74/33/1032977433.db2.gz FXJVVRIEIRGEMN-DZGCQCFKSA-N 1 0 355.365 2.555 20 10 FFCDRO COc1ccc2c(c1O[C@H]1CC[C@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218118671 1033006666 /nfs/dbraw/zinc/00/66/66/1033006666.db2.gz QEXFNGBJGCTTNU-HTAPYJJXSA-N 1 0 363.413 2.992 20 10 FFCDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1O ZINC001117643479 1021791656 /nfs/dbraw/zinc/79/16/56/1021791656.db2.gz KZUPFMCFFPXIDV-IBGZPJMESA-N 1 0 370.493 2.942 20 10 FFCDRO COc1c(C)c(O[C@@H]2CCC23C[NH2+]C3)cc2c1C(=O)c1ccccc1C2=O ZINC001218239891 1033066432 /nfs/dbraw/zinc/06/64/32/1033066432.db2.gz ACNZNRVBXPLSFX-QGZVFWFLSA-N 1 0 363.413 2.910 20 10 FFCDRO Oc1ccc(F)cc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000778995474 1022624406 /nfs/dbraw/zinc/62/44/06/1022624406.db2.gz STYVMNYPGDFKAV-UHFFFAOYSA-N 1 0 358.413 2.620 20 10 FFCDRO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cc(F)ccc1O ZINC000779009004 1022639289 /nfs/dbraw/zinc/63/92/89/1022639289.db2.gz GSNFPVRTLKIUFS-UHFFFAOYSA-N 1 0 367.465 2.516 20 10 FFCDRO CCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1O ZINC000750875801 1022692562 /nfs/dbraw/zinc/69/25/62/1022692562.db2.gz YOFFMMCARCFABK-UHFFFAOYSA-N 1 0 369.465 2.945 20 10 FFCDRO Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001122241921 1023139208 /nfs/dbraw/zinc/13/92/08/1023139208.db2.gz CUYJOAIAQKLMKM-CABCVRRESA-N 1 0 366.387 2.841 20 10 FFCDRO Oc1c(C[N@@H+]2CCNC[C@]3(CCCCN3)C2)cccc1-c1ccccc1 ZINC001222684426 1033114255 /nfs/dbraw/zinc/11/42/55/1033114255.db2.gz GWSPRAFOGNMQIG-JOCHJYFZSA-N 1 0 351.494 2.977 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+]C[C@H]1C)C(=O)c1ccccc1C2=O ZINC001218417780 1033145790 /nfs/dbraw/zinc/14/57/90/1033145790.db2.gz XMOKPJKKOOIVLQ-DIFFPNOSSA-N 1 0 351.402 2.853 20 10 FFCDRO Cc1cc(O[C@@H]2CC[NH2+]C[C@@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218416917 1033146663 /nfs/dbraw/zinc/14/66/63/1033146663.db2.gz UUAUNKFTHWFWRL-BLLLJJGKSA-N 1 0 351.402 2.853 20 10 FFCDRO C[NH+](C)CCSCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000755628580 1023616443 /nfs/dbraw/zinc/61/64/43/1023616443.db2.gz ZNSSFAHDFOUHKA-UHFFFAOYSA-N 1 0 368.458 2.695 20 10 FFCDRO CC[C@H]([NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1)c1ccn(C)n1 ZINC000756361368 1023701421 /nfs/dbraw/zinc/70/14/21/1023701421.db2.gz YCYYESKKLJALBG-FQEVSTJZSA-N 1 0 371.529 2.682 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000757624577 1023839224 /nfs/dbraw/zinc/83/92/24/1023839224.db2.gz VLQCKPPCCSVTEW-BEFAXECRSA-N 1 0 374.554 2.522 20 10 FFCDRO CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3cc(OC)ccc3O)C2)nc1 ZINC000757655777 1023843580 /nfs/dbraw/zinc/84/35/80/1023843580.db2.gz QBBKOQSLTISQKT-CYBMUJFWSA-N 1 0 371.437 2.512 20 10 FFCDRO CC1(C)C[C@H](Oc2cc(O)c(O)c3c2C(=O)c2ccccc2C3=O)CC[NH2+]1 ZINC001218472811 1033171008 /nfs/dbraw/zinc/17/10/08/1033171008.db2.gz UDPLWQUVXPSIPZ-LLVKDONJSA-N 1 0 367.401 2.783 20 10 FFCDRO CC[NH+]1CCC(n2nccc2NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000779515347 1023948613 /nfs/dbraw/zinc/94/86/13/1023948613.db2.gz UHLZTQVTBJSTTI-GQCTYLIASA-N 1 0 356.426 2.603 20 10 FFCDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779524291 1023951987 /nfs/dbraw/zinc/95/19/87/1023951987.db2.gz CAJLWEOEHXALMW-IZTUGPKFSA-N 1 0 352.434 2.844 20 10 FFCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000759172035 1024503814 /nfs/dbraw/zinc/50/38/14/1024503814.db2.gz PBBLTVICIUHMNH-ROUUACIJSA-N 1 0 359.514 2.760 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000084814785 1025148209 /nfs/dbraw/zinc/14/82/09/1025148209.db2.gz NNPBVMAVJNIBFI-UHFFFAOYSA-N 1 0 363.477 2.603 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141141491 1025508971 /nfs/dbraw/zinc/50/89/71/1025508971.db2.gz SFFQPZVJJUCLGZ-WIYYLYMNSA-N 1 0 360.498 2.923 20 10 FFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141145677 1025523241 /nfs/dbraw/zinc/52/32/41/1025523241.db2.gz GDMZCPQYISPLQA-GOSISDBHSA-N 1 0 369.465 2.962 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1c1ccccc1 ZINC001141146439 1025525066 /nfs/dbraw/zinc/52/50/66/1025525066.db2.gz VKTRELNKFAVJCY-RBUKOAKNSA-N 1 0 366.461 2.904 20 10 FFCDRO O=C(c1ccco1)N1CCCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141157403 1025539285 /nfs/dbraw/zinc/53/92/85/1025539285.db2.gz HECOFDFRTCDCKM-UHFFFAOYSA-N 1 0 356.422 2.962 20 10 FFCDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cc(O)ccc4O)CC[N@@H+]3C2)cc1 ZINC001141159007 1025540879 /nfs/dbraw/zinc/54/08/79/1025540879.db2.gz VVCLKUYCBIYXKE-FXAWDEMLSA-N 1 0 354.450 2.744 20 10 FFCDRO COC(=O)c1ccc(OC2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141159394 1025543026 /nfs/dbraw/zinc/54/30/26/1025543026.db2.gz FWKANZAWSGKDTM-UHFFFAOYSA-N 1 0 357.406 2.928 20 10 FFCDRO COc1ccc(NC(=O)NC2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141162032 1025546306 /nfs/dbraw/zinc/54/63/06/1025546306.db2.gz JGIBSSSWOUVMEY-UHFFFAOYSA-N 1 0 371.437 2.893 20 10 FFCDRO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)cc1 ZINC001141162525 1025546569 /nfs/dbraw/zinc/54/65/69/1025546569.db2.gz VQXZLDVGNBRPPW-UHFFFAOYSA-N 1 0 356.422 2.597 20 10 FFCDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000246293538 1025951172 /nfs/dbraw/zinc/95/11/72/1025951172.db2.gz XXUZRQSBVNDDFL-SUNYJGFJSA-N 1 0 364.461 2.808 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC000246516746 1026222553 /nfs/dbraw/zinc/22/25/53/1026222553.db2.gz UMWUVALDVKEYCW-LPHOPBHVSA-N 1 0 358.530 2.941 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnc3ccccn23)cc(F)c1N1CCOCC1 ZINC000839146394 1026605760 /nfs/dbraw/zinc/60/57/60/1026605760.db2.gz GIOVELWBNIRPKS-UHFFFAOYSA-N 1 0 358.392 2.739 20 10 FFCDRO Fc1cc(C[NH2+]Cc2cnn3ccccc23)cc(F)c1N1CCOCC1 ZINC000839146652 1026605822 /nfs/dbraw/zinc/60/58/22/1026605822.db2.gz PODWWBPWECUCKO-UHFFFAOYSA-N 1 0 358.392 2.739 20 10 FFCDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839519184 1026712825 /nfs/dbraw/zinc/71/28/25/1026712825.db2.gz GGSFZJYXYLSHFE-KKSFZXQISA-N 1 0 361.530 2.536 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000839541816 1026725230 /nfs/dbraw/zinc/72/52/30/1026725230.db2.gz ZUHUYRIOIKCODT-SIKLNZKXSA-N 1 0 367.493 2.736 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000839543215 1026725291 /nfs/dbraw/zinc/72/52/91/1026725291.db2.gz YMAYQJZEWPOWRF-MRXNPFEDSA-N 1 0 373.522 2.894 20 10 FFCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(c3nccc(OCC)n3)CC2)c1 ZINC000091959556 1027162881 /nfs/dbraw/zinc/16/28/81/1027162881.db2.gz FMXFTOXPKCONSY-UHFFFAOYSA-N 1 0 372.469 2.692 20 10 FFCDRO Cc1cccc(N(C(=O)Cc2ccc(N)cc2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001159350741 1027363307 /nfs/dbraw/zinc/36/33/07/1027363307.db2.gz IUMLPGHMOXHMHK-IFMALSPDSA-N 1 0 365.477 2.674 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000795654093 1027473431 /nfs/dbraw/zinc/47/34/31/1027473431.db2.gz CJVWZYYRFKNXJK-ZDUSSCGKSA-N 1 0 374.403 2.990 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](N4CCOCC4)C[C@H]3C)c2c1 ZINC000795698830 1027881348 /nfs/dbraw/zinc/88/13/48/1027881348.db2.gz PROIRLIUPYVJKA-WBVHZDCISA-N 1 0 356.466 2.849 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](COCc1ccccc1)[NH2+]C ZINC001161134859 1028028707 /nfs/dbraw/zinc/02/87/07/1028028707.db2.gz QHNUQYHJNVXHRN-NRFANRHFSA-N 1 0 369.509 2.906 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[NH2+]CCc2cc(OC)ccc21 ZINC001161135127 1028029805 /nfs/dbraw/zinc/02/98/05/1028029805.db2.gz TXUUTGJTBKPAHR-OAQYLSRUSA-N 1 0 367.493 2.997 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3noc(C(C)(C)C)n3)CC2)cc1 ZINC000780906507 1028858568 /nfs/dbraw/zinc/85/85/68/1028858568.db2.gz OOVPGLGBIPBETJ-UHFFFAOYSA-N 1 0 373.501 3.000 20 10 FFCDRO COC(=O)c1cc(Cl)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156655751 1029290054 /nfs/dbraw/zinc/29/00/54/1029290054.db2.gz ITKPSJPAAUIMLG-UHFFFAOYSA-N 1 0 374.872 2.886 20 10 FFCDRO CCCNC(=O)c1cccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656943 1029290191 /nfs/dbraw/zinc/29/01/91/1029290191.db2.gz CZWWMEVNRIEQHW-UHFFFAOYSA-N 1 0 367.497 2.585 20 10 FFCDRO COc1nc(Cl)nc(C)c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655478 1029290879 /nfs/dbraw/zinc/29/08/79/1029290879.db2.gz DLRVDDCDIMZOAY-UHFFFAOYSA-N 1 0 361.877 2.811 20 10 FFCDRO CCc1cc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc(C)n1 ZINC000782134424 1029585536 /nfs/dbraw/zinc/58/55/36/1029585536.db2.gz BYDLUWUHGJKSII-UHFFFAOYSA-N 1 0 355.486 2.590 20 10 FFCDRO COCc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ncn1 ZINC000782150571 1029590720 /nfs/dbraw/zinc/59/07/20/1029590720.db2.gz MRRVWZFYTDMNKT-UHFFFAOYSA-N 1 0 367.497 2.767 20 10 FFCDRO Cc1ccnc(OC2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c1 ZINC000782276022 1029636185 /nfs/dbraw/zinc/63/61/85/1029636185.db2.gz PSQAUSXYIUAKLV-SFHVURJKSA-N 1 0 356.422 2.565 20 10 FFCDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840911221 1029920973 /nfs/dbraw/zinc/92/09/73/1029920973.db2.gz XXDDOUASOPSOHT-UHFFFAOYSA-N 1 0 361.530 2.816 20 10 FFCDRO NC(=O)OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000840963109 1029947524 /nfs/dbraw/zinc/94/75/24/1029947524.db2.gz YOLOZISCRNMCOR-IBGZPJMESA-N 1 0 369.465 2.733 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[N@H+]3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000840997929 1029967616 /nfs/dbraw/zinc/96/76/16/1029967616.db2.gz ZBFQHSBPEPNQKJ-HOJAQTOUSA-N 1 0 357.498 2.656 20 10 FFCDRO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000841044323 1029999488 /nfs/dbraw/zinc/99/94/88/1029999488.db2.gz VXTGAMQPBUAVOR-FQEVSTJZSA-N 1 0 365.481 2.941 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1ccccc1O ZINC000783521334 1030135531 /nfs/dbraw/zinc/13/55/31/1030135531.db2.gz VUCZXYYVSVKDMU-YTQUADARSA-N 1 0 365.477 2.642 20 10 FFCDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841301602 1030171991 /nfs/dbraw/zinc/17/19/91/1030171991.db2.gz AHBNRIBJVLMWMT-UHFFFAOYSA-N 1 0 367.497 2.911 20 10 FFCDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000841302224 1030172237 /nfs/dbraw/zinc/17/22/37/1030172237.db2.gz PWTCTOJPBOOJFQ-FQEVSTJZSA-N 1 0 367.497 2.769 20 10 FFCDRO Cc1ccc(C[N@H+](CCO)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000783603299 1030178190 /nfs/dbraw/zinc/17/81/90/1030178190.db2.gz PZDJNVWBXDOVEK-UHFFFAOYSA-N 1 0 358.457 2.965 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841308710 1030179608 /nfs/dbraw/zinc/17/96/08/1030179608.db2.gz SVSCXDXYFCPRRC-UHFFFAOYSA-N 1 0 354.454 2.564 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841832816 1030494041 /nfs/dbraw/zinc/49/40/41/1030494041.db2.gz ULVHXKJNYDZHTF-VQTJNVASSA-N 1 0 368.525 2.984 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841877326 1030514424 /nfs/dbraw/zinc/51/44/24/1030514424.db2.gz MWLBVQKWRZPBOQ-JXFKEZNVSA-N 1 0 352.482 2.631 20 10 FFCDRO C[C@@H]1[C@@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841906815 1030534335 /nfs/dbraw/zinc/53/43/35/1030534335.db2.gz UZRLQGKEFIHHGK-UZLBHIALSA-N 1 0 352.482 2.774 20 10 FFCDRO COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cc(F)c(F)cc3O)CC2)C1 ZINC001142531500 1030581347 /nfs/dbraw/zinc/58/13/47/1030581347.db2.gz ZLRSEMHJPJPOHD-ZDUSSCGKSA-N 1 0 368.424 2.520 20 10 FFCDRO COCCN1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000784574369 1030693487 /nfs/dbraw/zinc/69/34/87/1030693487.db2.gz ZGVGAYLQSMJKJR-HZPDHXFCSA-N 1 0 369.456 2.567 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1O ZINC001203593547 1030778205 /nfs/dbraw/zinc/77/82/05/1030778205.db2.gz NTALLVPBWCPULY-LAUBAEHRSA-N 1 0 370.449 2.998 20 10 FFCDRO O=C(NCc1cccnc1)[C@@H]1C[C@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203658366 1030810560 /nfs/dbraw/zinc/81/05/60/1030810560.db2.gz KTKWQXJUNDZLIA-PXNSSMCTSA-N 1 0 371.868 2.969 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)c1 ZINC001203672764 1030817993 /nfs/dbraw/zinc/81/79/93/1030817993.db2.gz DKFLVTVDUBZUFJ-YOEHRIQHSA-N 1 0 359.495 2.954 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c1 ZINC001203684107 1030826327 /nfs/dbraw/zinc/82/63/27/1030826327.db2.gz NCYYVSQIZVJAJA-ZDUSSCGKSA-N 1 0 369.343 2.863 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1OC ZINC000842635210 1030858447 /nfs/dbraw/zinc/85/84/47/1030858447.db2.gz MBCWMSOLBXOUFC-MRXNPFEDSA-N 1 0 370.449 2.548 20 10 FFCDRO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203877475 1030953269 /nfs/dbraw/zinc/95/32/69/1030953269.db2.gz GXIOBMBEJGQCCC-UHFFFAOYSA-N 1 0 367.449 2.508 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)CN1c1ccc(F)cc1 ZINC001203878335 1030953943 /nfs/dbraw/zinc/95/39/43/1030953943.db2.gz RROGIXJBBNMCEM-HXUWFJFHSA-N 1 0 356.397 2.866 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)cc1 ZINC001203933299 1030992335 /nfs/dbraw/zinc/99/23/35/1030992335.db2.gz LACZIUIKLNDFIL-NRFANRHFSA-N 1 0 365.481 2.562 20 10 FFCDRO CCN(CC)c1ccc(CN2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001203940746 1030997402 /nfs/dbraw/zinc/99/74/02/1030997402.db2.gz YLWBSSNHBKSPRJ-LJQANCHMSA-N 1 0 355.530 2.923 20 10 FFCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1c1ccccc1 ZINC000843115751 1031190049 /nfs/dbraw/zinc/19/00/49/1031190049.db2.gz RQTYVBWYTLWTBT-AZUAARDMSA-N 1 0 355.457 2.589 20 10 FFCDRO Fc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000843118553 1031192348 /nfs/dbraw/zinc/19/23/48/1031192348.db2.gz MEJHHMKADKYUPU-OAQYLSRUSA-N 1 0 355.457 2.809 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2ccc(O)cc2O)Cc2cn(CC3CC3)nc21 ZINC001204273033 1031198722 /nfs/dbraw/zinc/19/87/22/1031198722.db2.gz JTSLMFBPCOMZCU-QGZVFWFLSA-N 1 0 357.454 2.840 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c(O)c1 ZINC001204272523 1031199366 /nfs/dbraw/zinc/19/93/66/1031199366.db2.gz CGDBTMPRSARMLZ-SFHVURJKSA-N 1 0 356.422 2.695 20 10 FFCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Br)cc(OC)c2O)CC12CC2 ZINC001204340148 1031235377 /nfs/dbraw/zinc/23/53/77/1031235377.db2.gz FIYIHCASPGOFQX-GFCCVEGCSA-N 1 0 370.243 2.548 20 10 FFCDRO COc1cc(Br)cc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c1O ZINC001204340422 1031238150 /nfs/dbraw/zinc/23/81/50/1031238150.db2.gz QLAXTDGHPJLPPI-CYBMUJFWSA-N 1 0 372.259 2.891 20 10 FFCDRO CC(C)NC(=O)[C@H]1COC[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]21 ZINC001143108442 1031238704 /nfs/dbraw/zinc/23/87/04/1031238704.db2.gz OXKKDVYSHUCTFU-KURKYZTESA-N 1 0 374.525 2.909 20 10 FFCDRO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cccc(C(C)(C)C)c1O)CCO2 ZINC001143108053 1031239129 /nfs/dbraw/zinc/23/91/29/1031239129.db2.gz HPHVVPFTDQBWCH-NRFANRHFSA-N 1 0 360.498 2.903 20 10 FFCDRO COc1cccc(/C(C)=C/C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299529 1031299075 /nfs/dbraw/zinc/29/90/75/1031299075.db2.gz XIOJQVRKELTYJI-IZLCOFNUSA-N 1 0 353.466 2.981 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000843351092 1031342349 /nfs/dbraw/zinc/34/23/49/1031342349.db2.gz DUMHAVUSLXOJLD-UHFFFAOYSA-N 1 0 353.510 2.983 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000843365158 1031355426 /nfs/dbraw/zinc/35/54/26/1031355426.db2.gz DCLWPDYFUJBXAR-GOEBONIOSA-N 1 0 369.465 2.675 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000843429509 1031401331 /nfs/dbraw/zinc/40/13/31/1031401331.db2.gz XPRBUGZPQIDNDF-SFHVURJKSA-N 1 0 354.450 2.929 20 10 FFCDRO C[NH+]1CCC(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001143313204 1031409048 /nfs/dbraw/zinc/40/90/48/1031409048.db2.gz XAKPGBRQAKBPEY-UHFFFAOYSA-N 1 0 371.403 2.576 20 10 FFCDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000843495518 1031430388 /nfs/dbraw/zinc/43/03/88/1031430388.db2.gz UAYKQBXVWGGSRB-HXUWFJFHSA-N 1 0 353.466 2.773 20 10 FFCDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001205162517 1031563704 /nfs/dbraw/zinc/56/37/04/1031563704.db2.gz OZEZFCGGYQEHPH-LLVKDONJSA-N 1 0 354.859 2.886 20 10 FFCDRO C[NH+](C)CCCOc1ccc(-c2ccn(CC(F)(F)F)c(=O)c2)cn1 ZINC001205255666 1031631810 /nfs/dbraw/zinc/63/18/10/1031631810.db2.gz LTHVTURGJJZNGJ-UHFFFAOYSA-N 1 0 355.360 2.803 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205580203 1031848205 /nfs/dbraw/zinc/84/82/05/1031848205.db2.gz RKYHHGWZJSUQGU-HNNXBMFYSA-N 1 0 361.255 2.816 20 10 FFCDRO C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000799974625 1031937602 /nfs/dbraw/zinc/93/76/02/1031937602.db2.gz CJPITQOITRXTJN-MSOLQXFVSA-N 1 0 374.529 2.567 20 10 FFCDRO COc1cc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)cc1Br ZINC001205786836 1031992685 /nfs/dbraw/zinc/99/26/85/1031992685.db2.gz BTFCQLGSMIHMTH-JTQLQIEISA-N 1 0 365.218 2.579 20 10 FFCDRO CCCC[C@H]([NH2+]C)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001219002621 1033453125 /nfs/dbraw/zinc/45/31/25/1033453125.db2.gz VYEWLQAQCPDHHB-INIZCTEOSA-N 1 0 365.433 2.761 20 10 FFCDRO C[C@]1(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)CCC[NH2+]1 ZINC001219492882 1033669277 /nfs/dbraw/zinc/66/92/77/1033669277.db2.gz DZYXGWNCEXWXOX-LJQANCHMSA-N 1 0 353.426 2.993 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1ccns1 ZINC001219810846 1033830576 /nfs/dbraw/zinc/83/05/76/1033830576.db2.gz HOSRSFYLXYQKOW-UHFFFAOYSA-N 1 0 371.510 2.997 20 10 FFCDRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3c(C)n(C)c4ccccc34)CC[C@@H]2C1 ZINC001138253838 1034022705 /nfs/dbraw/zinc/02/27/05/1034022705.db2.gz INQASZHKWWHSOD-DYESRHJHSA-N 1 0 355.482 2.556 20 10 FFCDRO Oc1c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc2c3c1CCCN3CCC2 ZINC001138338408 1034168822 /nfs/dbraw/zinc/16/88/22/1034168822.db2.gz RAEOSUBAGGJKFZ-KRWDZBQOSA-N 1 0 356.388 2.590 20 10 FFCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138339159 1034170345 /nfs/dbraw/zinc/17/03/45/1034170345.db2.gz ASEGIKHBRSJGKO-OAQYLSRUSA-N 1 0 358.482 2.866 20 10 FFCDRO Oc1c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc2c3c1CCCN3CCC2 ZINC001138339715 1034170718 /nfs/dbraw/zinc/17/07/18/1034170718.db2.gz JEDSSYNVJDGBGI-QGZVFWFLSA-N 1 0 353.470 2.520 20 10 FFCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)CC2 ZINC001138340310 1034171083 /nfs/dbraw/zinc/17/10/83/1034171083.db2.gz TUZMBFKEMYCKCC-UHFFFAOYSA-N 1 0 365.477 2.792 20 10 FFCDRO CC(=O)[C@H](C)NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026417 1034172445 /nfs/dbraw/zinc/17/24/45/1034172445.db2.gz QTLKQJGRBWVPQD-SUMWQHHRSA-N 1 0 362.445 2.536 20 10 FFCDRO 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SWIKOBUXYDNZHX-KBPBESRZSA-N 1 0 370.371 2.591 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c(OC)c1 ZINC001141028209 1036765946 /nfs/dbraw/zinc/76/59/46/1036765946.db2.gz FXMWCMMSXNMGAF-UHFFFAOYSA-N 1 0 362.470 2.680 20 10 FFCDRO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)C1=O ZINC001277814218 1036797596 /nfs/dbraw/zinc/79/75/96/1036797596.db2.gz YHWWQOQNOWWTPM-VLIAUNLRSA-N 1 0 362.470 2.775 20 10 FFCDRO O=C1OCCN1C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078256 1036928824 /nfs/dbraw/zinc/92/88/24/1036928824.db2.gz QNAWMDPOYFRYOD-UHFFFAOYSA-N 1 0 355.482 2.802 20 10 FFCDRO c1cnc(O[C@@H]2CC[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)cn1 ZINC001141079075 1036930894 /nfs/dbraw/zinc/93/08/94/1036930894.db2.gz RVIYQVBKVIRNJQ-LJQANCHMSA-N 1 0 350.466 2.829 20 10 FFCDRO Fc1cnc(O[C@H]2CC[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)C2)nc1 ZINC001141079184 1036931933 /nfs/dbraw/zinc/93/19/33/1036931933.db2.gz WBMLMAVVIUTYBI-IBGZPJMESA-N 1 0 368.456 2.968 20 10 FFCDRO 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ZINC001231593659 1037714943 /nfs/dbraw/zinc/71/49/43/1037714943.db2.gz SXRHZMDUQJLGET-YQVWRLOYSA-N 1 0 355.438 2.549 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231633713 1037751301 /nfs/dbraw/zinc/75/13/01/1037751301.db2.gz USUHYLSKRADMTG-IBGZPJMESA-N 1 0 364.442 2.692 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)cc1O ZINC001231633432 1037753027 /nfs/dbraw/zinc/75/30/27/1037753027.db2.gz OIRBLFMRBOGFQA-ZIAGYGMSSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)c(O)cc1O ZINC001231635014 1037754272 /nfs/dbraw/zinc/75/42/72/1037754272.db2.gz CVGGOOIIKWLDQS-UHFFFAOYSA-N 1 0 365.817 2.593 20 10 FFCDRO COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)cc1O ZINC001231633874 1037756005 /nfs/dbraw/zinc/75/60/05/1037756005.db2.gz BPKPDYLXKPJINC-AWEZNQCLSA-N 1 0 366.458 2.986 20 10 FFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(OC)c(O)cc3O)C2)nc1 ZINC001231640009 1037767146 /nfs/dbraw/zinc/76/71/46/1037767146.db2.gz OKRQTUDVCVNXLL-OAHLLOKOSA-N 1 0 360.410 2.553 20 10 FFCDRO Cc1cccc(C)c1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001536924344 1070087703 /nfs/dbraw/zinc/08/77/03/1070087703.db2.gz GENMHIAYSSKJHE-UHFFFAOYSA-N 1 0 367.493 2.750 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@H]3COC[C@H]32)c(O)c1 ZINC001231844257 1037943701 /nfs/dbraw/zinc/94/37/01/1037943701.db2.gz HSSMFLZIRCPOQW-KZNAEPCWSA-N 1 0 372.490 2.700 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)c(O)c1 ZINC001231845998 1037945808 /nfs/dbraw/zinc/94/58/08/1037945808.db2.gz XCFYFWARJWJLPE-OAQYLSRUSA-N 1 0 366.465 2.818 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001231852808 1037948915 /nfs/dbraw/zinc/94/89/15/1037948915.db2.gz OGTCVJDXMVQQHF-VQIMIIECSA-N 1 0 359.514 2.840 20 10 FFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3OC)C2)nc1 ZINC001231854322 1037950372 /nfs/dbraw/zinc/95/03/72/1037950372.db2.gz CPRZHBWWYDBOQR-SFHVURJKSA-N 1 0 357.454 2.818 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001231857959 1037955547 /nfs/dbraw/zinc/95/55/47/1037955547.db2.gz PHKYHBYLJQKAHQ-GOSISDBHSA-N 1 0 356.470 2.903 20 10 FFCDRO COCCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)C1=O ZINC001231868192 1037965368 /nfs/dbraw/zinc/96/53/68/1037965368.db2.gz RUVJHCSVNQHTLI-LJQANCHMSA-N 1 0 366.889 2.815 20 10 FFCDRO OCCOCc1ncn2c1C[N@H+](Cc1ccc3ccccc3c1O)CCC2 ZINC001231879041 1037975613 /nfs/dbraw/zinc/97/56/13/1037975613.db2.gz TVGRSNRTJRMQGR-UHFFFAOYSA-N 1 0 367.449 2.657 20 10 FFCDRO CCOc1ccc(N2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001277996286 1038184928 /nfs/dbraw/zinc/18/49/28/1038184928.db2.gz FRUVXWZSTYQDQI-OAQYLSRUSA-N 1 0 359.514 2.856 20 10 FFCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(OC)c(Br)cc3O)C[C@H]2C1 ZINC001236749472 1038233025 /nfs/dbraw/zinc/23/30/25/1038233025.db2.gz CKOBRELSEUVMTQ-ZIAGYGMSSA-N 1 0 369.303 2.937 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(Br)cc2O)CC12CC2 ZINC001236751914 1038239033 /nfs/dbraw/zinc/23/90/33/1038239033.db2.gz ZWDFDNSTFFNVIU-NSHDSACASA-N 1 0 370.243 2.548 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)C(=O)N3)CC2)c(O)c1 ZINC001236786158 1038266527 /nfs/dbraw/zinc/26/65/27/1038266527.db2.gz CWTQZYRJTUNKFY-IBGZPJMESA-N 1 0 365.477 2.988 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)c(O)c1 ZINC001236808798 1038284222 /nfs/dbraw/zinc/28/42/22/1038284222.db2.gz MTSMWORVIYTXEB-OAQYLSRUSA-N 1 0 367.449 2.733 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CCc3c(c(COCC4CC4)nn3C)C2)c(O)c1 ZINC001236811539 1038284895 /nfs/dbraw/zinc/28/48/95/1038284895.db2.gz QYJDOQQHPFOENA-UHFFFAOYSA-N 1 0 371.481 2.928 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC(NC(=O)N3CCCCC3)CC2)c(O)c1 ZINC001236815049 1038288049 /nfs/dbraw/zinc/28/80/49/1038288049.db2.gz HFFUWIAIDJZPOX-UHFFFAOYSA-N 1 0 361.486 2.869 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c(O)c1 ZINC001236817212 1038290596 /nfs/dbraw/zinc/29/05/96/1038290596.db2.gz DCIOHOYQENMTSL-UHFFFAOYSA-N 1 0 354.406 2.766 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236926790 1038360474 /nfs/dbraw/zinc/36/04/74/1038360474.db2.gz KDPBVJKCCBLZGE-UHFFFAOYSA-N 1 0 365.905 2.667 20 10 FFCDRO CCOc1ccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c(O)c1 ZINC001237039722 1038417127 /nfs/dbraw/zinc/41/71/27/1038417127.db2.gz CNVXWWCNVGGRIN-RTBURBONSA-N 1 0 366.461 2.995 20 10 FFCDRO CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001237044045 1038420396 /nfs/dbraw/zinc/42/03/96/1038420396.db2.gz WWOQMTPKMXKVSO-KDURUIRLSA-N 1 0 353.466 2.750 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@](C)(F)C2)[NH+](C)C)cc1 ZINC001256237006 1038445555 /nfs/dbraw/zinc/44/55/55/1038445555.db2.gz OMKNIVWKGYRXTM-PKOBYXMFSA-N 1 0 350.482 2.889 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237125525 1038450425 /nfs/dbraw/zinc/45/04/25/1038450425.db2.gz MGMDMMIHLFXDPG-CYBMUJFWSA-N 1 0 362.392 2.833 20 10 FFCDRO Cc1cc(N2CCN(Cc3cc(C(F)(F)F)ccc3O)CC2)ncn1 ZINC001237141762 1038453713 /nfs/dbraw/zinc/45/37/13/1038453713.db2.gz CAVVGHCPXCXTSB-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2C[C@@H]([NH3+])C3(COC3)C2)c(O)c1 ZINC001237181522 1038467480 /nfs/dbraw/zinc/46/74/80/1038467480.db2.gz SALHUTBYPOQSLA-HXUWFJFHSA-N 1 0 361.530 2.958 20 10 FFCDRO C[C@H]([NH2+]CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1O ZINC001250950455 1038846133 /nfs/dbraw/zinc/84/61/33/1038846133.db2.gz RONIRXUAWLHZFQ-AWEZNQCLSA-N 1 0 350.459 2.805 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCCC3(CN(C(=O)NCC(F)(F)F)C3)C2)c1 ZINC001278617217 1038846854 /nfs/dbraw/zinc/84/68/54/1038846854.db2.gz WIZLZFLOKHOHEG-UHFFFAOYSA-N 1 0 371.403 2.870 20 10 FFCDRO COCCOc1ccc(N2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC001209452434 1038882043 /nfs/dbraw/zinc/88/20/43/1038882043.db2.gz PCTSICGBRLZLTD-UHFFFAOYSA-N 1 0 361.530 2.710 20 10 FFCDRO COCCN1C[C@@H]2C[N@H+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1=O ZINC001209518725 1038949995 /nfs/dbraw/zinc/94/99/95/1038949995.db2.gz SJFLHSNSLZZFBG-FPOVZHCZSA-N 1 0 367.493 2.631 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncnc3sccc32)[NH+](C)C)cc1 ZINC001537484521 1070192675 /nfs/dbraw/zinc/19/26/75/1070192675.db2.gz XDCAGVBJWYKWAV-MRXNPFEDSA-N 1 0 369.494 2.790 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CCN1 ZINC001246517594 1039380675 /nfs/dbraw/zinc/38/06/75/1039380675.db2.gz ALIZFYBSOKBLRH-QOKNQOGYSA-N 1 0 360.498 2.906 20 10 FFCDRO CC[C@]1(C(=O)OC)C[C@@H]([NH2+][C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CN1 ZINC001246530272 1039386282 /nfs/dbraw/zinc/38/62/82/1039386282.db2.gz LAZLWDZKCZRDPZ-CFCCAZDESA-N 1 0 360.498 2.906 20 10 FFCDRO O=C1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1Cc1ccccc1 ZINC001258572032 1039435041 /nfs/dbraw/zinc/43/50/41/1039435041.db2.gz GQEKOGUEYKRRCD-GOSISDBHSA-N 1 0 354.450 2.811 20 10 FFCDRO CCOCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001276683535 1039521465 /nfs/dbraw/zinc/52/14/65/1039521465.db2.gz MIACTPGXQQZEDX-UHFFFAOYSA-N 1 0 360.498 2.942 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC(F)(F)F)C3=O)C2)c1O ZINC001276683602 1039526605 /nfs/dbraw/zinc/52/66/05/1039526605.db2.gz NOFCSDJMTDAHML-QGZVFWFLSA-N 1 0 370.371 2.604 20 10 FFCDRO c1cncc(COc2ccc(N3CCN([C@@H]4CCC[NH2+]C4)CC3)cc2)c1 ZINC001246998034 1039569705 /nfs/dbraw/zinc/56/97/05/1039569705.db2.gz CTKBRYQYULXXOQ-HXUWFJFHSA-N 1 0 352.482 2.535 20 10 FFCDRO c1cc(N2CC[NH2+]CC2)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC001247012659 1039577179 /nfs/dbraw/zinc/57/71/79/1039577179.db2.gz YBXOMGKRZUCRCO-UHFFFAOYSA-N 1 0 350.422 2.801 20 10 FFCDRO Fc1cc2[nH]c(-c3ccc(N4CC[NH2+]CC4)cc3)nc2cc1-n1cccn1 ZINC001247020000 1039582547 /nfs/dbraw/zinc/58/25/47/1039582547.db2.gz KAPJXQMLWDONFB-UHFFFAOYSA-N 1 0 362.412 2.964 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)cc1OC ZINC001254173154 1040596140 /nfs/dbraw/zinc/59/61/40/1040596140.db2.gz WLUQGTLDKIEJJZ-KRWDZBQOSA-N 1 0 370.449 2.804 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)c(O)c1 ZINC001249208177 1040628107 /nfs/dbraw/zinc/62/81/07/1040628107.db2.gz OMHYREWOGLRDBA-UHFFFAOYSA-N 1 0 369.465 2.523 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)c(O)c1 ZINC001249215229 1040630948 /nfs/dbraw/zinc/63/09/48/1040630948.db2.gz XEGLFYSGVCQBDU-HXUWFJFHSA-N 1 0 366.461 2.523 20 10 FFCDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001254289319 1040660651 /nfs/dbraw/zinc/66/06/51/1040660651.db2.gz SHVVNHBLGFKXQM-RHSMWYFYSA-N 1 0 366.458 2.510 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccc(OC3COC3)c(F)c2)no1)c1ccccc1O ZINC001249339973 1040690486 /nfs/dbraw/zinc/69/04/86/1040690486.db2.gz QGXJNSCNZXCRJL-OAHLLOKOSA-N 1 0 371.368 2.601 20 10 FFCDRO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(O)cc1O)CC2 ZINC001276704293 1040798315 /nfs/dbraw/zinc/79/83/15/1040798315.db2.gz CTPATDYBCMJSQC-HIFRSBDPSA-N 1 0 362.470 2.623 20 10 FFCDRO COc1ccc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254597338 1040827661 /nfs/dbraw/zinc/82/76/61/1040827661.db2.gz HNSNTJXXDVZSIM-IBGZPJMESA-N 1 0 353.422 2.893 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H](COC)C2)c(O)c1 ZINC001249725980 1040966039 /nfs/dbraw/zinc/96/60/39/1040966039.db2.gz VJWYXSAWLUCPNA-OAHLLOKOSA-N 1 0 351.443 2.583 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](C)C2CCN(C)CC2)c(O)c1 ZINC001249725253 1040966372 /nfs/dbraw/zinc/96/63/72/1040966372.db2.gz MIGTXDWJUAYIQB-UHFFFAOYSA-N 1 0 364.486 2.640 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+]C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254921649 1041048612 /nfs/dbraw/zinc/04/86/12/1041048612.db2.gz DYMUYQINFYWTPK-ROUUACIJSA-N 1 0 371.525 2.555 20 10 FFCDRO Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1O)C2 ZINC001278551818 1041115905 /nfs/dbraw/zinc/11/59/05/1041115905.db2.gz LQTFEBKYAZRRRJ-HOCLYGCPSA-N 1 0 356.426 2.735 20 10 FFCDRO COc1cccc(C[NH+]2CC3(CN(C(=O)[C@H]4C=CCC=C4C)C3)C2)c1O ZINC001278560448 1041165151 /nfs/dbraw/zinc/16/51/51/1041165151.db2.gz CNBHKZUENPLBPL-KRWDZBQOSA-N 1 0 354.450 2.567 20 10 FFCDRO COc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCCC(F)(F)F)c1 ZINC001278570729 1041213989 /nfs/dbraw/zinc/21/39/89/1041213989.db2.gz KLHGLOAWGXUJOJ-WBVHZDCISA-N 1 0 374.403 2.628 20 10 FFCDRO C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3[O-])c2)CC1 ZINC001262009373 1041509694 /nfs/dbraw/zinc/50/96/94/1041509694.db2.gz UVJKKUTXCVJRJK-UHFFFAOYSA-N 1 0 361.436 2.708 20 10 FFCDRO COC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001276727296 1041857757 /nfs/dbraw/zinc/85/77/57/1041857757.db2.gz CWACEIQYGYJQEJ-RTBURBONSA-N 1 0 359.514 2.743 20 10 FFCDRO Cc1ccc(/C=C/C(=O)N2C[C@H](C[C@H]3COCC[NH2+]3)c3ccccc32)cn1 ZINC001263227708 1042183908 /nfs/dbraw/zinc/18/39/08/1042183908.db2.gz AFQWALPMYHDURJ-VANUVFSVSA-N 1 0 363.461 2.912 20 10 FFCDRO C/C(=C/c1cccnc1)C(=O)N1C[C@H](C[C@@H]2COCC[NH2+]2)c2ccccc21 ZINC001263227990 1042184760 /nfs/dbraw/zinc/18/47/60/1042184760.db2.gz GEFQMDHNESMODC-WMCWJWHRSA-N 1 0 363.461 2.994 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2N)[NH+](C)C)cc1 ZINC001263260310 1042204636 /nfs/dbraw/zinc/20/46/36/1042204636.db2.gz XHHKYBQSPYDLFO-FQEVSTJZSA-N 1 0 354.498 2.687 20 10 FFCDRO CCN(CC)c1ccc(CN2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)cc1 ZINC001279149903 1042920429 /nfs/dbraw/zinc/92/04/29/1042920429.db2.gz NOLRCJDGSXBFKR-UHFFFAOYSA-N 1 0 353.514 2.964 20 10 FFCDRO O=C(Cc1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001279192052 1042940195 /nfs/dbraw/zinc/94/01/95/1042940195.db2.gz FTKMNNANFCSYCH-WMLDXEAASA-N 1 0 360.454 2.868 20 10 FFCDRO O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001279192446 1042940491 /nfs/dbraw/zinc/94/04/91/1042940491.db2.gz NAIPCBCZRUEXAJ-HDICACEKSA-N 1 0 357.429 2.667 20 10 FFCDRO Cc1cccc(C[N@H+]2C[C@H]3CN(CCCC(F)(F)F)C[C@@H](C2)O3)c1O ZINC001279290418 1042985807 /nfs/dbraw/zinc/98/58/07/1042985807.db2.gz NVRWREKUYXSFEG-IYBDPMFKSA-N 1 0 358.404 2.928 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C)c2O)CCC1 ZINC001279291057 1042986401 /nfs/dbraw/zinc/98/64/01/1042986401.db2.gz XAWGETDPQQVVFC-HDICACEKSA-N 1 0 358.482 2.835 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001237214388 1043055987 /nfs/dbraw/zinc/05/59/87/1043055987.db2.gz GFBKMCJRBGGZEW-GHTZIAJQSA-N 1 0 364.530 2.974 20 10 FFCDRO CCCCN(CCCC)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001237214389 1043056808 /nfs/dbraw/zinc/05/68/08/1043056808.db2.gz GFBKMCJRBGGZEW-NQIIRXRSSA-N 1 0 364.530 2.974 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+]3Cc2c(C)cc(C)cc2O)CCC1 ZINC001279427677 1043101935 /nfs/dbraw/zinc/10/19/35/1043101935.db2.gz HUUFXBXEKSWIFF-CALCHBBNSA-N 1 0 358.482 2.753 20 10 FFCDRO Cc1cc(C)c(C[NH+]2CC3(CCN3C(=O)Nc3cccnc3)C2)c(O)c1 ZINC001279432810 1043107626 /nfs/dbraw/zinc/10/76/26/1043107626.db2.gz OHCQFQMMQJJGQG-UHFFFAOYSA-N 1 0 352.438 2.896 20 10 FFCDRO COc1ccc(N2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)c(C)c1 ZINC001278091603 1043132434 /nfs/dbraw/zinc/13/24/34/1043132434.db2.gz ZKBJVSUYWFNXSB-OAQYLSRUSA-N 1 0 359.514 2.774 20 10 FFCDRO COc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1Br ZINC001237409411 1043146417 /nfs/dbraw/zinc/14/64/17/1043146417.db2.gz AMLHLIIMELFJOH-RISCZKNCSA-N 1 0 355.276 2.737 20 10 FFCDRO Oc1c(I)cccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237414107 1043148962 /nfs/dbraw/zinc/14/89/62/1043148962.db2.gz LSNSAQWKPHWTGU-RISCZKNCSA-N 1 0 372.250 2.571 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccco2)C1 ZINC001237484820 1043197129 /nfs/dbraw/zinc/19/71/29/1043197129.db2.gz APRQMFXESJWHNW-TZIWHRDSSA-N 1 0 370.449 2.591 20 10 FFCDRO Cc1nc(CN2CCO[C@@H]3C[N@H+](Cc4c(C)cccc4O)C[C@@H]3C2)cs1 ZINC001237487874 1043200940 /nfs/dbraw/zinc/20/09/40/1043200940.db2.gz FICRGWSOCDULOU-OXJNMPFZSA-N 1 0 373.522 2.798 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)cc1 ZINC001237671409 1043301130 /nfs/dbraw/zinc/30/11/30/1043301130.db2.gz BTBUPRIFUPOIGM-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676884 1043305783 /nfs/dbraw/zinc/30/57/83/1043305783.db2.gz SDIYKRRIKCUMAY-ZDUSSCGKSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c(O)c(OC)c1 ZINC001237677130 1043305867 /nfs/dbraw/zinc/30/58/67/1043305867.db2.gz XMFXCNVCMBAFQJ-HNNXBMFYSA-N 1 0 362.470 2.634 20 10 FFCDRO COc1cc(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c(O)c(OC)c1 ZINC001237678676 1043308163 /nfs/dbraw/zinc/30/81/63/1043308163.db2.gz QSIMEGOHIPWKLG-UHFFFAOYSA-N 1 0 354.450 2.727 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c1O ZINC001237685065 1043311071 /nfs/dbraw/zinc/31/10/71/1043311071.db2.gz DAYXJYYBEGDZTC-UHFFFAOYSA-N 1 0 364.873 2.758 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@H](Oc3nccnc3C)C2)c(O)c(OC)c1 ZINC001237684760 1043311536 /nfs/dbraw/zinc/31/15/36/1043311536.db2.gz QIQXWMDWBSNSLB-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c1O ZINC001237687473 1043314546 /nfs/dbraw/zinc/31/45/46/1043314546.db2.gz CZUURQRSBYOXCM-LSDHHAIUSA-N 1 0 370.877 2.814 20 10 FFCDRO CCCc1ccc(S(=O)(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001237746514 1043337354 /nfs/dbraw/zinc/33/73/54/1043337354.db2.gz RLHUBBCGXKTAHO-UHFFFAOYSA-N 1 0 359.495 2.850 20 10 FFCDRO CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3CC([NH3+])C3)c2)cc1 ZINC001237815035 1043375944 /nfs/dbraw/zinc/37/59/44/1043375944.db2.gz XEMLUHNQEMXFSO-UHFFFAOYSA-N 1 0 359.495 2.932 20 10 FFCDRO CCc1ccc(C[NH+]2CC3(CN(C(=O)CC4(OC)CCC4)C3)C2)c(O)c1 ZINC001279664250 1043427371 /nfs/dbraw/zinc/42/73/71/1043427371.db2.gz YZLLULDLZYHAMP-UHFFFAOYSA-N 1 0 358.482 2.558 20 10 FFCDRO Cc1cc(CN2CC3(C2)C[NH+](Cc2ccc(C(C)C)cc2O)C3)n(C)n1 ZINC001279673233 1043443363 /nfs/dbraw/zinc/44/33/63/1043443363.db2.gz KRANNJANLUDSMI-UHFFFAOYSA-N 1 0 354.498 2.875 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(CN(C(=O)NC(C)C)C3)CC2)c(O)c1 ZINC001279673023 1043443556 /nfs/dbraw/zinc/44/35/56/1043443556.db2.gz WFJFCMLCCZEQJR-UHFFFAOYSA-N 1 0 361.486 2.807 20 10 FFCDRO Oc1ccc(C(F)(F)F)cc1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001279686423 1043469638 /nfs/dbraw/zinc/46/96/38/1043469638.db2.gz YVSIQMSXQMKPMZ-UHFFFAOYSA-N 1 0 366.387 2.842 20 10 FFCDRO COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(F)c3[O-])(C1)CCC2 ZINC001279697095 1043487124 /nfs/dbraw/zinc/48/71/24/1043487124.db2.gz GMABSYZOUNRHRZ-MOPGFXCFSA-N 1 0 370.440 2.816 20 10 FFCDRO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001279697541 1043487204 /nfs/dbraw/zinc/48/72/04/1043487204.db2.gz ZMDZFBHHJBBCCA-HXUWFJFHSA-N 1 0 367.484 2.910 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1O ZINC001238060067 1043506767 /nfs/dbraw/zinc/50/67/67/1043506767.db2.gz GTDHZJPTDMVVGE-NQIIRXRSSA-N 1 0 369.440 2.763 20 10 FFCDRO Cc1cc(F)cc(CN2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1O ZINC001238061986 1043509095 /nfs/dbraw/zinc/50/90/95/1043509095.db2.gz RYSFTALPNZXKGD-POZUXBRTSA-N 1 0 373.428 2.688 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CCCCO2)cc1 ZINC001279744647 1043575312 /nfs/dbraw/zinc/57/53/12/1043575312.db2.gz UJPYJQGDYXGJGS-OPVJXMOQSA-N 1 0 357.498 2.765 20 10 FFCDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001238415242 1043695272 /nfs/dbraw/zinc/69/52/72/1043695272.db2.gz XRFYMPLXSXWEIE-ZIPFOMIPSA-N 1 0 361.471 2.794 20 10 FFCDRO CN(CCC=C1c2ccccc2CCc2ccccc21)S(=O)(=O)CC[NH3+] ZINC001239115054 1044032974 /nfs/dbraw/zinc/03/29/74/1044032974.db2.gz UDDFKHBBOAFPCT-UHFFFAOYSA-N 1 0 370.518 2.827 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001312078772 1044033816 /nfs/dbraw/zinc/03/38/16/1044033816.db2.gz LIFGNTFABUGAIJ-IBGZPJMESA-N 1 0 356.514 2.913 20 10 FFCDRO COCCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001280046002 1044133062 /nfs/dbraw/zinc/13/30/62/1044133062.db2.gz FGBNDXOBPDSTSB-RXVVDRJESA-N 1 0 360.498 2.798 20 10 FFCDRO O=C([C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2)N1CCCC12CC2 ZINC001280082362 1044184223 /nfs/dbraw/zinc/18/42/23/1044184223.db2.gz BBMGTUKLKHKHNH-QGZVFWFLSA-N 1 0 356.466 2.855 20 10 FFCDRO COC[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001313335271 1044319684 /nfs/dbraw/zinc/31/96/84/1044319684.db2.gz LZLXVBGMQHYJIK-MJGOQNOKSA-N 1 0 364.534 2.573 20 10 FFCDRO O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2)N1CCCCO1 ZINC001280320757 1044600834 /nfs/dbraw/zinc/60/08/34/1044600834.db2.gz LNFVZZKYSGRFJU-LCLWPZTBSA-N 1 0 356.466 2.680 20 10 FFCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850251 1044674133 /nfs/dbraw/zinc/67/41/33/1044674133.db2.gz UURIKAQRSYDXGS-HUUCEWRRSA-N 1 0 362.474 2.978 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@]3(CO)CCc4ccccc43)cc2F)CC1 ZINC001319392658 1045134624 /nfs/dbraw/zinc/13/46/24/1045134624.db2.gz YDKJSPKSQYKUHX-QFIPXVFZSA-N 1 0 369.484 2.501 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C3CCOCC3)cc2F)CC1 ZINC001319869633 1045290289 /nfs/dbraw/zinc/29/02/89/1045290289.db2.gz FNHRIIARTBZPIK-FQEVSTJZSA-N 1 0 361.505 2.969 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC001318432929 1045299178 /nfs/dbraw/zinc/29/91/78/1045299178.db2.gz BECCVZBAMGEKHH-KRWDZBQOSA-N 1 0 374.916 2.723 20 10 FFCDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320607805 1045436295 /nfs/dbraw/zinc/43/62/95/1045436295.db2.gz JLKNZINPZYUMTE-HXUWFJFHSA-N 1 0 371.500 2.579 20 10 FFCDRO CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccnn1C ZINC001320780254 1045466718 /nfs/dbraw/zinc/46/67/18/1045466718.db2.gz YAFDNCVHANRGDD-GOSISDBHSA-N 1 0 373.520 2.840 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3occ(C)c3C)CC2)cc1 ZINC001322036664 1045926389 /nfs/dbraw/zinc/92/63/89/1045926389.db2.gz AGQBDHCWZGTQMY-UHFFFAOYSA-N 1 0 371.481 2.847 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CC(C)(C)C3(O)CCCC3)cc2F)CC1 ZINC001325134109 1046386981 /nfs/dbraw/zinc/38/69/81/1046386981.db2.gz SXDUQZJDKQWSAQ-UHFFFAOYSA-N 1 0 363.521 2.998 20 10 FFCDRO CCOc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001288329847 1047449518 /nfs/dbraw/zinc/44/95/18/1047449518.db2.gz HBNPQUYYUGPCJV-UHFFFAOYSA-N 1 0 353.466 2.767 20 10 FFCDRO Cc1ccc(F)cc1C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001289600536 1047707250 /nfs/dbraw/zinc/70/72/50/1047707250.db2.gz RRSXWOGXXYNNDO-IBGZPJMESA-N 1 0 371.456 2.802 20 10 FFCDRO C[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001327478826 1047915265 /nfs/dbraw/zinc/91/52/65/1047915265.db2.gz FHWZBUBBCXXNAK-OALUTQOASA-N 1 0 356.445 2.695 20 10 FFCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1O ZINC001331534817 1047989078 /nfs/dbraw/zinc/98/90/78/1047989078.db2.gz ZUIIPTPEVCCMFD-CQSZACIVSA-N 1 0 358.442 2.770 20 10 FFCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Br)CC1CCOCC1 ZINC001331693734 1048065675 /nfs/dbraw/zinc/06/56/75/1048065675.db2.gz WIQSZHQYSJBDMU-CYBMUJFWSA-N 1 0 358.276 2.670 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3nc(C(F)(F)F)ns3)cc2)CC1 ZINC001331924761 1048173976 /nfs/dbraw/zinc/17/39/76/1048173976.db2.gz LEXSAFUCEGALHI-UHFFFAOYSA-N 1 0 357.405 2.921 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]CCCO[C@@H]3CCCCO3)cc2F)CC1 ZINC001332782677 1048560650 /nfs/dbraw/zinc/56/06/50/1048560650.db2.gz IMALAFIZBRWWGM-HXUWFJFHSA-N 1 0 365.493 2.600 20 10 FFCDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(F)c(N(C)C)cc3F)C2)n(C)n1 ZINC001329159751 1048600733 /nfs/dbraw/zinc/60/07/33/1048600733.db2.gz RBEWEWGMHRFELP-HNNXBMFYSA-N 1 0 363.456 2.831 20 10 FFCDRO COc1ccccc1C1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC001329297046 1048658482 /nfs/dbraw/zinc/65/84/82/1048658482.db2.gz AZPVLOOUTOOECY-IBGZPJMESA-N 1 0 367.493 2.999 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3COc4ccc(OC)cc4C3)C2)cc1 ZINC001329574383 1048783654 /nfs/dbraw/zinc/78/36/54/1048783654.db2.gz SJNIJGHJCIOYQO-IRXDYDNUSA-N 1 0 354.450 2.876 20 10 FFCDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001329730316 1048876830 /nfs/dbraw/zinc/87/68/30/1048876830.db2.gz DREPTGHSQGEWSK-QWHCGFSZSA-N 1 0 355.429 2.987 20 10 FFCDRO CCC[N@@H+]1CC[C@H](Cn2c(CC)nnc2N(C)Cc2ccccc2O)C1 ZINC001294662064 1049791212 /nfs/dbraw/zinc/79/12/12/1049791212.db2.gz ZZHUIVXPDXDYHP-INIZCTEOSA-N 1 0 357.502 2.914 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1n1ccnc1 ZINC001341604653 1050230688 /nfs/dbraw/zinc/23/06/88/1050230688.db2.gz LEAJPOYMRCOOFI-LAUBAEHRSA-N 1 0 371.504 2.857 20 10 FFCDRO O=C(NCc1ccc(N2CCCC2)cc1)c1cnc(C2CC[NH2+]CC2)o1 ZINC001341658072 1050283091 /nfs/dbraw/zinc/28/30/91/1050283091.db2.gz DHUIDDPKCZBKRB-UHFFFAOYSA-N 1 0 354.454 2.672 20 10 FFCDRO Cc1cc(C(=O)N2CCC(OC3C[NH2+]C3)CC2)c(C)n1-c1ccc(F)cc1 ZINC001341807261 1050420030 /nfs/dbraw/zinc/42/00/30/1050420030.db2.gz GQTQIVBSFJJEBV-UHFFFAOYSA-N 1 0 371.456 2.826 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cc(C3CC3)nn2C)[NH+](C)C)cc1 ZINC001341838432 1050449916 /nfs/dbraw/zinc/44/99/16/1050449916.db2.gz UAYVQMDVILRQNE-SFHVURJKSA-N 1 0 370.501 2.788 20 10 FFCDRO Cc1ncsc1/C=C\C(=O)N1C[C@H](C[C@H]2COCC[NH2+]2)c2ccccc21 ZINC001341998235 1050594654 /nfs/dbraw/zinc/59/46/54/1050594654.db2.gz AJCPZDMZRIKVSN-KQLNYGGHSA-N 1 0 369.490 2.974 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000746391065 1050680075 /nfs/dbraw/zinc/68/00/75/1050680075.db2.gz JKFRLZQNLCBZGC-BQLWYNFJSA-N 1 0 373.453 2.949 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])cs2)cc1 ZINC001341334448 1051690239 /nfs/dbraw/zinc/69/02/39/1051690239.db2.gz FVKFXRPSADEZCZ-AUUYWEPGSA-N 1 0 356.495 2.660 20 10 FFCDRO CN(Cc1cn(C)nc1C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC001308670310 1052484368 /nfs/dbraw/zinc/48/43/68/1052484368.db2.gz PNKGCGSHKUZLRB-UHFFFAOYSA-N 1 0 372.513 2.891 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001334933339 1053155965 /nfs/dbraw/zinc/15/59/65/1053155965.db2.gz HNKOQYHJPJNSKM-NRFANRHFSA-N 1 0 367.493 2.906 20 10 FFCDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(N4CCSCC4)cc3)C[N@@H+]2C1 ZINC001543098870 1071380547 /nfs/dbraw/zinc/38/05/47/1071380547.db2.gz NRDIKKQNIXWNJA-KPFFTGBYSA-N 1 0 373.566 2.976 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001335441172 1053364957 /nfs/dbraw/zinc/36/49/57/1053364957.db2.gz MOWHPQQBHUFENJ-FUHWJXTLSA-N 1 0 350.528 2.836 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)CCc2cccc(O)c2)[NH+](C)C)cc1 ZINC001348548388 1054782426 /nfs/dbraw/zinc/78/24/26/1054782426.db2.gz WMRZRXCRGGVHFZ-HXUWFJFHSA-N 1 0 355.482 2.810 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1O ZINC000848889092 1055308660 /nfs/dbraw/zinc/30/86/60/1055308660.db2.gz FRFRMOOTVBKARS-UHFFFAOYSA-N 1 0 371.456 2.850 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1O ZINC000848896628 1055323171 /nfs/dbraw/zinc/32/31/71/1055323171.db2.gz FHCDDODUNBELSC-KRWDZBQOSA-N 1 0 354.498 2.650 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)c1O ZINC000848897718 1055323628 /nfs/dbraw/zinc/32/36/28/1055323628.db2.gz UALAWNHIIOVDEH-LJQANCHMSA-N 1 0 354.450 2.854 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)c3ccccc3C[NH3+])cc2F)C[C@@H](C)O1 ZINC001357369102 1055880779 /nfs/dbraw/zinc/88/07/79/1055880779.db2.gz UOERVLAGSAUDPS-HUUCEWRRSA-N 1 0 371.456 2.828 20 10 FFCDRO C[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2O)(c2ccccc2)CC1 ZINC001457954837 1060479255 /nfs/dbraw/zinc/47/92/55/1060479255.db2.gz APHBYXXXKQQBGA-UHFFFAOYSA-N 1 0 358.413 2.630 20 10 FFCDRO [NH3+][C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001521587722 1060993574 /nfs/dbraw/zinc/99/35/74/1060993574.db2.gz KWGOVLZPLDWTLS-LJQANCHMSA-N 1 0 363.461 2.939 20 10 FFCDRO CCC1(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCOCC1 ZINC001461087220 1061206249 /nfs/dbraw/zinc/20/62/49/1061206249.db2.gz PXHBUOQPTXORLI-SFHVURJKSA-N 1 0 359.514 2.685 20 10 FFCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001461766736 1061401173 /nfs/dbraw/zinc/40/11/73/1061401173.db2.gz QEMCRMMOBDNSID-OAHLLOKOSA-N 1 0 359.436 2.972 20 10 FFCDRO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c(O)c1 ZINC001461929032 1061454262 /nfs/dbraw/zinc/45/42/62/1061454262.db2.gz VUXTUTRUDUMGJX-UHFFFAOYSA-N 1 0 357.429 2.596 20 10 FFCDRO C[C@@H]1CC[N@H+](CCNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001476768589 1061476016 /nfs/dbraw/zinc/47/60/16/1061476016.db2.gz LSUUQSDCAXZDJD-OAHLLOKOSA-N 1 0 364.453 2.860 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(O)c1 ZINC001462231299 1061546897 /nfs/dbraw/zinc/54/68/97/1061546897.db2.gz CRACGOVTWYBMDK-QWHCGFSZSA-N 1 0 372.387 2.552 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)[nH]c1C ZINC001462655041 1061708629 /nfs/dbraw/zinc/70/86/29/1061708629.db2.gz YERKNYMBILBEJQ-IBGZPJMESA-N 1 0 358.486 2.568 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nc(Cl)ccc2F)[NH+](C)C)cc1 ZINC001463283841 1062035089 /nfs/dbraw/zinc/03/50/89/1062035089.db2.gz QLPNQSJQUCDQLB-HNNXBMFYSA-N 1 0 364.852 2.973 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC001439960505 1063240876 /nfs/dbraw/zinc/24/08/76/1063240876.db2.gz MAOQMJMVLQODLF-GOSISDBHSA-N 1 0 374.416 2.833 20 10 FFCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001465954085 1063276602 /nfs/dbraw/zinc/27/66/02/1063276602.db2.gz MKWQZHRDPZGKAR-QGZVFWFLSA-N 1 0 358.413 2.908 20 10 FFCDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001533431011 1063298353 /nfs/dbraw/zinc/29/83/53/1063298353.db2.gz RQPDAQACMQACIJ-HNNXBMFYSA-N 1 0 355.482 2.739 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C(F)(F)F)[NH+](C)C)cc1 ZINC001466980308 1063609601 /nfs/dbraw/zinc/60/96/01/1063609601.db2.gz HEUUQULQVIUUIG-AWEZNQCLSA-N 1 0 360.424 2.995 20 10 FFCDRO CC(C)(C)c1nnc(N2CC[C@@H]([NH3+])C2)n1CCCSc1nccs1 ZINC001575291763 1078126421 /nfs/dbraw/zinc/12/64/21/1078126421.db2.gz VLDMHSQFJWKUAR-GFCCVEGCSA-N 1 0 366.560 2.752 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1Cn1cccn1 ZINC001473920662 1065419685 /nfs/dbraw/zinc/41/96/85/1065419685.db2.gz HHJFWZFGPWARBR-SFHVURJKSA-N 1 0 365.433 2.870 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cnc(N4CCCC4)nc3)CC2)cc1 ZINC001473972345 1065430846 /nfs/dbraw/zinc/43/08/46/1065430846.db2.gz MNNBBOZHVNMFKK-UHFFFAOYSA-N 1 0 367.497 2.844 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2=O)cc1 ZINC001474004484 1065438148 /nfs/dbraw/zinc/43/81/48/1065438148.db2.gz NOCBVVBDXKHAGW-LJQANCHMSA-N 1 0 352.434 2.521 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN(Cc3ccccc3C)CCO2)c1 ZINC001474673001 1065575789 /nfs/dbraw/zinc/57/57/89/1065575789.db2.gz QHZPSIPEHLPFBG-FQEVSTJZSA-N 1 0 356.466 2.700 20 10 FFCDRO CCc1nnc(N2CC[C@H]([NH3+])C2)n1Cc1ccc(N2CCC(C)CC2)cc1 ZINC001578314623 1078462260 /nfs/dbraw/zinc/46/22/60/1078462260.db2.gz BVETUCXTJFEMMW-SFHVURJKSA-N 1 0 368.529 2.663 20 10 FFCDRO CCc1nnc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001578317342 1078462408 /nfs/dbraw/zinc/46/24/08/1078462408.db2.gz KRIJUSQKEHJDKQ-GDBMZVCRSA-N 1 0 374.508 2.658 20 10 FFCDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001578657121 1078509195 /nfs/dbraw/zinc/50/91/95/1078509195.db2.gz RXOIXQSWIPRRFZ-QGZVFWFLSA-N 1 0 353.466 2.978 20 10 FFCDRO COC(=O)c1ccc2c(c1)N(C(=O)c1cccc3c1CC[NH2+]C3)CCC2 ZINC001578875103 1078538244 /nfs/dbraw/zinc/53/82/44/1078538244.db2.gz USDLHNVQHMNNNZ-UHFFFAOYSA-N 1 0 350.418 2.712 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001557149753 1075813903 /nfs/dbraw/zinc/81/39/03/1075813903.db2.gz UXQBEIDWMPEVMK-GCJKJVERSA-N 1 0 366.461 2.908 20 10 FFCDRO Cc1cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001558548675 1076030011 /nfs/dbraw/zinc/03/00/11/1076030011.db2.gz FPYKOWCIWMXQOF-SFHVURJKSA-N 1 0 367.493 2.914 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC[C@]4(CCOC4)O3)CC2)cc1F ZINC001559642452 1076178971 /nfs/dbraw/zinc/17/89/71/1076178971.db2.gz PQXPHEQUQPLTQY-FXAWDEMLSA-N 1 0 364.461 2.685 20 10 FFCDRO CN(C)c1ccccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001560283965 1076260401 /nfs/dbraw/zinc/26/04/01/1076260401.db2.gz ULUJMMDZWNQKBT-LJQANCHMSA-N 1 0 366.509 2.744 20 10 FFCDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001560328107 1076264749 /nfs/dbraw/zinc/26/47/49/1076264749.db2.gz GWKJSISAFBEGBX-IBGZPJMESA-N 1 0 369.488 2.843 20 10 FFCDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000008150957 506626667 /nfs/dbraw/zinc/62/66/67/506626667.db2.gz JCUWSYSLRGRENU-ZDUSSCGKSA-N 1 0 352.394 2.895 20 10 FFCDRO O=C(NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)c1ccccc1 ZINC000014224390 506980145 /nfs/dbraw/zinc/98/01/45/506980145.db2.gz LLEUITCZOPEGGT-UHFFFAOYSA-N 1 0 354.406 2.515 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000371357480 512351094 /nfs/dbraw/zinc/35/10/94/512351094.db2.gz MCPVWXWYWZDTKB-OAHLLOKOSA-N 1 0 362.470 2.634 20 10 FFCDRO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000029889868 507794283 /nfs/dbraw/zinc/79/42/83/507794283.db2.gz YXBRQKOCAPPJKR-UHFFFAOYSA-N 1 0 368.433 2.777 20 10 FFCDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000073918101 507967112 /nfs/dbraw/zinc/96/71/12/507967112.db2.gz DPJUNRYBJXTIPB-UHFFFAOYSA-N 1 0 357.454 2.852 20 10 FFCDRO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092069558 508040161 /nfs/dbraw/zinc/04/01/61/508040161.db2.gz RWHDKVQZOGDOQH-GFCCVEGCSA-N 1 0 351.248 2.658 20 10 FFCDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000111236492 508080949 /nfs/dbraw/zinc/08/09/49/508080949.db2.gz NOJBKQZOIDMVDX-UHFFFAOYSA-N 1 0 372.465 2.890 20 10 FFCDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158206228 508671909 /nfs/dbraw/zinc/67/19/09/508671909.db2.gz IMPMWFULEOQYCW-VQIMIIECSA-N 1 0 358.457 2.917 20 10 FFCDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Br)ccc1O ZINC000371466639 512418861 /nfs/dbraw/zinc/41/88/61/512418861.db2.gz QVQDMNDGQWEHPW-INMHGKMJSA-N 1 0 369.303 2.838 20 10 FFCDRO CC[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccccc1O ZINC000155637717 509042616 /nfs/dbraw/zinc/04/26/16/509042616.db2.gz QPKPQKSUMXSHBR-SFHVURJKSA-N 1 0 368.481 2.730 20 10 FFCDRO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1(O)CCOCC1 ZINC000188844397 509290077 /nfs/dbraw/zinc/29/00/77/509290077.db2.gz YKYUYSRSXCTURT-UHFFFAOYSA-N 1 0 357.450 2.945 20 10 FFCDRO COc1cc(O)c(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)cc1OC ZINC000182639728 509346130 /nfs/dbraw/zinc/34/61/30/509346130.db2.gz NQWMVTWVTGXMOO-UHFFFAOYSA-N 1 0 364.486 2.974 20 10 FFCDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Cc3ccc(N)cc3)CC2)C[C@@H](C)O1 ZINC000237401292 509638975 /nfs/dbraw/zinc/63/89/75/509638975.db2.gz SURLKKVHFVRXSA-IAGOWNOFSA-N 1 0 359.514 2.549 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000180066603 509735581 /nfs/dbraw/zinc/73/55/81/509735581.db2.gz GRXWDWZQJXCCIS-AWEZNQCLSA-N 1 0 351.248 2.892 20 10 FFCDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3cc(C)ccc3O)CC2)cc1 ZINC000237831856 509746361 /nfs/dbraw/zinc/74/63/61/509746361.db2.gz GIYPWLPGFPJPJL-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3C)cc1 ZINC000171380270 510117957 /nfs/dbraw/zinc/11/79/57/510117957.db2.gz GOODYNQPSSRVPN-OAHLLOKOSA-N 1 0 373.522 2.828 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 ZINC000269044046 510208758 /nfs/dbraw/zinc/20/87/58/510208758.db2.gz UNMKXNTZTXYERP-AEFFLSMTSA-N 1 0 365.543 2.752 20 10 FFCDRO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000269275013 510319978 /nfs/dbraw/zinc/31/99/78/510319978.db2.gz WDYFZCPSIRAWCO-ZNMIVQPWSA-N 1 0 367.440 2.891 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccccc1C)cc2=O ZINC000181540997 510463353 /nfs/dbraw/zinc/46/33/53/510463353.db2.gz AGYHXKIAKQQAJB-CYBMUJFWSA-N 1 0 354.410 2.771 20 10 FFCDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000184697987 510469318 /nfs/dbraw/zinc/46/93/18/510469318.db2.gz JOMDNXDBSDCQLN-HOTGVXAUSA-N 1 0 355.862 2.806 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269626237 510488188 /nfs/dbraw/zinc/48/81/88/510488188.db2.gz OXLUCNBSBWJHOC-OAQYLSRUSA-N 1 0 371.525 2.889 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000172114158 510549966 /nfs/dbraw/zinc/54/99/66/510549966.db2.gz ZQYFGDHEBGWCOW-UHFFFAOYSA-N 1 0 360.479 2.775 20 10 FFCDRO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1O ZINC000184958606 510605161 /nfs/dbraw/zinc/60/51/61/510605161.db2.gz HOGXZWLQSRDRIM-LLVKDONJSA-N 1 0 354.859 2.586 20 10 FFCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1O)CC2 ZINC000185318137 510803528 /nfs/dbraw/zinc/80/35/28/510803528.db2.gz MNQUQRAQRZQHRN-CABZTGNLSA-N 1 0 351.248 2.720 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000275401490 510898763 /nfs/dbraw/zinc/89/87/63/510898763.db2.gz ZWRMTCLUOQPMAO-IINYFYTJSA-N 1 0 354.248 2.581 20 10 FFCDRO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000276437676 510939072 /nfs/dbraw/zinc/93/90/72/510939072.db2.gz IKECNWQTFKHVDO-GOSISDBHSA-N 1 0 369.527 2.978 20 10 FFCDRO C[C@H](NC(=O)NCc1cccc(Br)c1O)C1=CC[N@H+](C)CC1 ZINC000277314529 510961053 /nfs/dbraw/zinc/96/10/53/510961053.db2.gz CZGHSKXROPKORP-NSHDSACASA-N 1 0 368.275 2.604 20 10 FFCDRO CCOC1CC2(C1)CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000285590909 510968770 /nfs/dbraw/zinc/96/87/70/510968770.db2.gz VYWVYKRKSXPAAC-UHFFFAOYSA-N 1 0 359.514 2.602 20 10 FFCDRO CS(=O)(=O)NCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000289672697 511108566 /nfs/dbraw/zinc/10/85/66/511108566.db2.gz ZFYYNVWOFLVVBT-UHFFFAOYSA-N 1 0 374.506 2.820 20 10 FFCDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000282784502 511110614 /nfs/dbraw/zinc/11/06/14/511110614.db2.gz PSOXKYZASGHSNR-GOSISDBHSA-N 1 0 362.514 2.886 20 10 FFCDRO COc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(C)c3O)C2=O)c(OC)c1 ZINC000289892503 511120670 /nfs/dbraw/zinc/12/06/70/511120670.db2.gz SWTIJCKLSLREFZ-GOSISDBHSA-N 1 0 370.449 2.609 20 10 FFCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Br)cc1 ZINC000271218782 511125269 /nfs/dbraw/zinc/12/52/69/511125269.db2.gz JMJJIQXMQBIISH-CYBMUJFWSA-N 1 0 366.211 2.707 20 10 FFCDRO CCCOc1ccc(C[N@@H+]2CC[C@](O)(c3nc(C4CC4)no3)C2)c(O)c1 ZINC000290413144 511136451 /nfs/dbraw/zinc/13/64/51/511136451.db2.gz KETUUHXVOJTCBT-LJQANCHMSA-N 1 0 359.426 2.535 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000294764363 511169719 /nfs/dbraw/zinc/16/97/19/511169719.db2.gz JKYYYASBJUKWGL-UHFFFAOYSA-N 1 0 356.470 2.963 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271621745 511266369 /nfs/dbraw/zinc/26/63/69/511266369.db2.gz BSENAYGDDBBOPB-WBVHZDCISA-N 1 0 364.461 2.999 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000271946304 511379703 /nfs/dbraw/zinc/37/97/03/511379703.db2.gz AJOYYVDZVOUFPQ-CQSZACIVSA-N 1 0 363.767 2.627 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)ccc1OCC(=O)N(C)C ZINC000295807350 511521127 /nfs/dbraw/zinc/52/11/27/511521127.db2.gz CLMOMOKTMWKHEL-INIZCTEOSA-N 1 0 370.449 2.645 20 10 FFCDRO COCC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000273317391 511521478 /nfs/dbraw/zinc/52/14/78/511521478.db2.gz VTGWNZXATXPJNV-GOSISDBHSA-N 1 0 359.470 2.671 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000273299407 511521529 /nfs/dbraw/zinc/52/15/29/511521529.db2.gz BAIJCTUCUIVCBY-ZDUSSCGKSA-N 1 0 356.422 2.731 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)c1 ZINC000273424181 511525753 /nfs/dbraw/zinc/52/57/53/511525753.db2.gz SZLISKBIEIRMSE-LLVKDONJSA-N 1 0 354.859 2.805 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)ccc1OCC(N)=O ZINC000273581586 511540410 /nfs/dbraw/zinc/54/04/10/511540410.db2.gz MVZMEQGYOOTIMX-AWEZNQCLSA-N 1 0 358.438 2.733 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CC(=O)NCC(F)(F)F)c(C(F)(F)F)c1 ZINC000280816902 511614582 /nfs/dbraw/zinc/61/45/82/511614582.db2.gz INPQGQAVNNDXLM-UHFFFAOYSA-N 1 0 357.298 2.540 20 10 FFCDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(Br)cc1O ZINC000284251872 511656112 /nfs/dbraw/zinc/65/61/12/511656112.db2.gz INKCUEJYIZHBHU-WBIUFABUSA-N 1 0 360.292 2.963 20 10 FFCDRO [NH3+]CC1(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCC1 ZINC000274198417 511750921 /nfs/dbraw/zinc/75/09/21/511750921.db2.gz HOCPBNCKGRGTFR-UHFFFAOYSA-N 1 0 373.541 2.811 20 10 FFCDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cc(Br)ccc1O ZINC000363868495 511819409 /nfs/dbraw/zinc/81/94/09/511819409.db2.gz NJXIMQRITMRWBG-AAEUAGOBSA-N 1 0 365.275 2.818 20 10 FFCDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000293594497 512020957 /nfs/dbraw/zinc/02/09/57/512020957.db2.gz FRUCWPNRXXUGGG-UHFFFAOYSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c1O ZINC000374160527 512684765 /nfs/dbraw/zinc/68/47/65/512684765.db2.gz SGLGROWVALEONH-FGTMMUONSA-N 1 0 352.434 2.647 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OC ZINC000374183106 512697688 /nfs/dbraw/zinc/69/76/88/512697688.db2.gz LDJNEVWFPPGRBE-RHSMWYFYSA-N 1 0 370.449 2.689 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368619089 513029701 /nfs/dbraw/zinc/02/97/01/513029701.db2.gz YEZLJKOFZRCPFY-HXUWFJFHSA-N 1 0 366.509 2.671 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC[C@H]2C)C1 ZINC000435972258 513729844 /nfs/dbraw/zinc/72/98/44/513729844.db2.gz CFAVEYONLADAHU-VQIMIIECSA-N 1 0 369.509 2.949 20 10 FFCDRO COC[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443999934 514095733 /nfs/dbraw/zinc/09/57/33/514095733.db2.gz VAZUXEDKTNQGKV-INIZCTEOSA-N 1 0 357.498 2.807 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CC[C@H](C)C3)ccc21 ZINC000525805960 517175133 /nfs/dbraw/zinc/17/51/33/517175133.db2.gz YHXATFDKXPFZFR-HNNXBMFYSA-N 1 0 357.498 2.976 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc21 ZINC000565150949 518811903 /nfs/dbraw/zinc/81/19/03/518811903.db2.gz ODVHNGULLIOQFA-KDURUIRLSA-N 1 0 369.509 2.976 20 10 FFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC4(CCC4)c4c3cccc4F)c21 ZINC000592520735 520434867 /nfs/dbraw/zinc/43/48/67/520434867.db2.gz VIJDWTRHAHRINE-CYBMUJFWSA-N 1 0 354.429 2.940 20 10 FFCDRO Cc1[nH][nH]c(=O)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000615223030 521319688 /nfs/dbraw/zinc/31/96/88/521319688.db2.gz WLYLYOHFCPXCIQ-UHFFFAOYSA-N 1 0 367.453 2.784 20 10 FFCDRO Oc1ccccc1C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000826511445 607502222 /nfs/dbraw/zinc/50/22/22/607502222.db2.gz QQTCLIQBZRPECD-UHFFFAOYSA-N 1 0 350.426 2.912 20 10 FFCDRO Cc1cccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897977473 735298834 /nfs/dbraw/zinc/29/88/34/735298834.db2.gz HZQRKRUFOISQLG-ZDUSSCGKSA-N 1 0 362.227 2.511 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)cc1F ZINC000898053305 735307953 /nfs/dbraw/zinc/30/79/53/735307953.db2.gz XGSAUWKKTRVRQI-SFHVURJKSA-N 1 0 350.413 2.560 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000898116916 735316600 /nfs/dbraw/zinc/31/66/00/735316600.db2.gz UTGCFNLHZKPKHP-CQSZACIVSA-N 1 0 356.260 2.891 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N(C)CC2=CCSC2)[NH+](C)C)cc1 ZINC000899098022 735447036 /nfs/dbraw/zinc/44/70/36/735447036.db2.gz KNMACRXZTQTFFC-SFHVURJKSA-N 1 0 362.543 2.670 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)Cc1cccs1)cc2=O ZINC000076650974 728264254 /nfs/dbraw/zinc/26/42/54/728264254.db2.gz DVGKLVRAKGTKSU-UHFFFAOYSA-N 1 0 360.439 2.695 20 10 FFCDRO COCCOC1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000093339364 728475632 /nfs/dbraw/zinc/47/56/32/728475632.db2.gz WMMWIUUAQBKLRF-UHFFFAOYSA-N 1 0 374.275 2.791 20 10 FFCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000127187867 728705726 /nfs/dbraw/zinc/70/57/26/728705726.db2.gz JQRWOHAWSAXWDZ-ZIAGYGMSSA-N 1 0 374.934 2.650 20 10 FFCDRO C[C@@H](OCC1CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262446 728729291 /nfs/dbraw/zinc/72/92/91/728729291.db2.gz QHRGJXFYBBPJJJ-CXAGYDPISA-N 1 0 366.889 2.941 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182305028 729274592 /nfs/dbraw/zinc/27/45/92/729274592.db2.gz UNRSNPUONUZGCM-KRWDZBQOSA-N 1 0 352.500 2.527 20 10 FFCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000779431928 738463326 /nfs/dbraw/zinc/46/33/26/738463326.db2.gz IAQCFKICLRQOBB-QFBILLFUSA-N 1 0 350.478 2.891 20 10 FFCDRO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000857159350 730381807 /nfs/dbraw/zinc/38/18/07/730381807.db2.gz NKOLIWMLWWAEMM-HNNXBMFYSA-N 1 0 362.861 2.780 20 10 FFCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000858106991 730416803 /nfs/dbraw/zinc/41/68/03/730416803.db2.gz WPAPVNNEYJPBOK-GFCCVEGCSA-N 1 0 370.218 2.823 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000858137953 730417519 /nfs/dbraw/zinc/41/75/19/730417519.db2.gz JGLFOEVPARRPJF-NEPJUHHUSA-N 1 0 355.276 2.891 20 10 FFCDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c(O)cccc1Br ZINC000858154820 730418024 /nfs/dbraw/zinc/41/80/24/730418024.db2.gz SDXHLVTYINJSFC-CYBMUJFWSA-N 1 0 354.219 2.987 20 10 FFCDRO O=C1NCCCN1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862248316 730681713 /nfs/dbraw/zinc/68/17/13/730681713.db2.gz KQJGTUAKPRDCBC-UHFFFAOYSA-N 1 0 368.275 2.534 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000862252828 730682723 /nfs/dbraw/zinc/68/27/23/730682723.db2.gz HQBJBQKEUYWEOW-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1c(O)cccc1Br ZINC000862347514 730690474 /nfs/dbraw/zinc/69/04/74/730690474.db2.gz ZROMGLXDXVUPKM-UHFFFAOYSA-N 1 0 355.276 2.893 20 10 FFCDRO Oc1cccc(Br)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000862349947 730690591 /nfs/dbraw/zinc/69/05/91/730690591.db2.gz YRLGPAVNTZCOOC-UHFFFAOYSA-N 1 0 364.243 2.988 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1OC ZINC000862540939 730707631 /nfs/dbraw/zinc/70/76/31/730707631.db2.gz KNCVFNAGVQPJOA-GFCCVEGCSA-N 1 0 354.447 2.754 20 10 FFCDRO Cn1ncc2cc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cnc21 ZINC000865418349 730952601 /nfs/dbraw/zinc/95/26/01/730952601.db2.gz ZYTVRBFTBOCWBS-UHFFFAOYSA-N 1 0 353.495 2.811 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925328436 738497179 /nfs/dbraw/zinc/49/71/79/738497179.db2.gz XWQJCVUGSTYALY-RISCZKNCSA-N 1 0 370.291 2.779 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865683949 730985677 /nfs/dbraw/zinc/98/56/77/730985677.db2.gz ZZTAUAULEZNHAV-NSHDSACASA-N 1 0 365.153 2.639 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870896140 731571989 /nfs/dbraw/zinc/57/19/89/731571989.db2.gz QQAWAYRHIDNQNZ-FFSVYQOJSA-N 1 0 353.260 2.631 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n1C ZINC000873014642 731863888 /nfs/dbraw/zinc/86/38/88/731863888.db2.gz BIKOCLWNXQDBSF-UHFFFAOYSA-N 1 0 359.495 2.655 20 10 FFCDRO O=C1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCN1 ZINC000873063818 731870080 /nfs/dbraw/zinc/87/00/80/731870080.db2.gz FVBAKPMECKMAFM-UONOGXRCSA-N 1 0 353.413 2.515 20 10 FFCDRO COc1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000876966183 732304499 /nfs/dbraw/zinc/30/44/99/732304499.db2.gz QQTOWAFBRSSSTG-UHFFFAOYSA-N 1 0 351.447 2.542 20 10 FFCDRO OCCC1(CCO)CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000877691611 732414871 /nfs/dbraw/zinc/41/48/71/732414871.db2.gz MOPDMEMBSKLUAY-UHFFFAOYSA-N 1 0 358.276 2.502 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000877728462 732420664 /nfs/dbraw/zinc/42/06/64/732420664.db2.gz PKMREEXDFXJKRT-AWEZNQCLSA-N 1 0 356.260 2.830 20 10 FFCDRO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000877798773 732434511 /nfs/dbraw/zinc/43/45/11/732434511.db2.gz BYRWGFJBPOGPBT-KFWWJZLASA-N 1 0 366.889 2.677 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)c1 ZINC000878359934 732520174 /nfs/dbraw/zinc/52/01/74/732520174.db2.gz FDLDTXKPJDGFFF-PELKAZGASA-N 1 0 357.204 2.536 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)ccc1O ZINC000927134488 738695235 /nfs/dbraw/zinc/69/52/35/738695235.db2.gz IWJRHMMBUZHAFA-WFASDCNBSA-N 1 0 354.248 2.663 20 10 FFCDRO C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2[O-])(N2CCCCC2)CC1 ZINC000883019574 733321584 /nfs/dbraw/zinc/32/15/84/733321584.db2.gz TYFZHDAENLAWLV-UHFFFAOYSA-N 1 0 353.457 2.710 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCCn2ccnc2C)c1O ZINC000725846397 734396003 /nfs/dbraw/zinc/39/60/03/734396003.db2.gz DAEYUJZBRNWXQR-UHFFFAOYSA-N 1 0 354.248 2.848 20 10 FFCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000892606594 734579986 /nfs/dbraw/zinc/57/99/86/734579986.db2.gz JNIFFJBCJYSKKW-GFCCVEGCSA-N 1 0 360.376 2.583 20 10 FFCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000893908848 734770774 /nfs/dbraw/zinc/77/07/74/734770774.db2.gz DOLIVLGOBRLJTP-CYBMUJFWSA-N 1 0 364.467 2.550 20 10 FFCDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)s1 ZINC000894598012 734885004 /nfs/dbraw/zinc/88/50/04/734885004.db2.gz VVDFUAMCFSFWKI-UHFFFAOYSA-N 1 0 355.481 2.854 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c(O)c1OC ZINC000895471603 735011702 /nfs/dbraw/zinc/01/17/02/735011702.db2.gz TZOQNKHGTQULLI-LBPRGKRZSA-N 1 0 354.447 2.754 20 10 FFCDRO Cc1cc(O)c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1Cl ZINC000895551353 735022810 /nfs/dbraw/zinc/02/28/10/735022810.db2.gz JMOFCJLASZTPHC-UHFFFAOYSA-N 1 0 365.905 2.660 20 10 FFCDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000895688312 735040523 /nfs/dbraw/zinc/04/05/23/735040523.db2.gz MCTXJKVGZLCWEW-SAABIXHNSA-N 1 0 361.463 2.636 20 10 FFCDRO C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccns1 ZINC000896048891 735093979 /nfs/dbraw/zinc/09/39/79/735093979.db2.gz VPUKOBOUWOHYGW-CJNGLKHVSA-N 1 0 361.515 2.872 20 10 FFCDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)COC(=O)N1 ZINC000896393052 735151811 /nfs/dbraw/zinc/15/18/11/735151811.db2.gz ILCHBBFUTNLZRL-BLLLJJGKSA-N 1 0 369.259 2.865 20 10 FFCDRO C[C@]1([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)COC(=O)N1 ZINC000896396764 735153002 /nfs/dbraw/zinc/15/30/02/735153002.db2.gz KYWMLQUDYLPPET-BDJLRTHQSA-N 1 0 369.259 2.865 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897260462 735211760 /nfs/dbraw/zinc/21/17/60/735211760.db2.gz CCSVEWAQBIBETR-HNNXBMFYSA-N 1 0 370.287 2.969 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2nnc(-c3ccon3)s2)[NH+](C)C)cc1 ZINC000897520928 735242297 /nfs/dbraw/zinc/24/22/97/735242297.db2.gz APINQYMMXRMWQZ-OAHLLOKOSA-N 1 0 358.471 2.974 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CC2(C3(O)CCC3)CC2)c1O ZINC000897530232 735242974 /nfs/dbraw/zinc/24/29/74/735242974.db2.gz CRJFTFOLMBUPPU-UHFFFAOYSA-N 1 0 356.260 2.948 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H](C)C1 ZINC000747916482 735603421 /nfs/dbraw/zinc/60/34/21/735603421.db2.gz RTIGJTNXWQWNKO-VQFNDLOPSA-N 1 0 350.528 2.836 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000787426448 739135744 /nfs/dbraw/zinc/13/57/44/739135744.db2.gz YQTDOKXDDPVEOL-ZLKJLUDKSA-N 1 0 353.260 2.549 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1cc(F)ccc1O ZINC000903173171 736048181 /nfs/dbraw/zinc/04/81/81/736048181.db2.gz KKNHSGBWSPXYCC-ZDUSSCGKSA-N 1 0 366.458 2.774 20 10 FFCDRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000903217708 736057520 /nfs/dbraw/zinc/05/75/20/736057520.db2.gz CSCQKWASKITXJJ-LSDHHAIUSA-N 1 0 365.905 2.696 20 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/nfs/dbraw/zinc/35/89/78/737358978.db2.gz IHUKNVLJQVAPND-GFCCVEGCSA-N 1 0 355.356 2.759 20 10 FFCDRO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768341340 737414741 /nfs/dbraw/zinc/41/47/41/737414741.db2.gz HCFZCLWWEAKQFZ-GOSISDBHSA-N 1 0 360.479 2.573 20 10 FFCDRO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000769385313 737522919 /nfs/dbraw/zinc/52/29/19/737522919.db2.gz VTBXRIKQQDPYER-OAHLLOKOSA-N 1 0 360.479 2.560 20 10 FFCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(C)c2O)CCCOC1 ZINC000770676912 737651642 /nfs/dbraw/zinc/65/16/42/737651642.db2.gz JPLXWVYHMUDQBD-INIZCTEOSA-N 1 0 372.259 2.665 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](CS(C)(=O)=O)C3)c2c1 ZINC000917466384 737759519 /nfs/dbraw/zinc/75/95/19/737759519.db2.gz UVCCQSDQGJZNMX-AWEZNQCLSA-N 1 0 363.479 2.811 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cc(Br)ccc1O ZINC000775503133 738097803 /nfs/dbraw/zinc/09/78/03/738097803.db2.gz BYSHFGOWZBXBBK-HIFRSBDPSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(Br)c[nH]3)C2)cc1 ZINC000922238064 738110525 /nfs/dbraw/zinc/11/05/25/738110525.db2.gz PVTBNAYSLQKDMF-NSHDSACASA-N 1 0 351.248 2.549 20 10 FFCDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775721330 738117498 /nfs/dbraw/zinc/11/74/98/738117498.db2.gz WEKZQYDUMKDAOA-CVEARBPZSA-N 1 0 350.459 2.631 20 10 FFCDRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000775826785 738129610 /nfs/dbraw/zinc/12/96/10/738129610.db2.gz HMMHCWOQUQTLCK-OAHLLOKOSA-N 1 0 362.495 2.886 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c1O ZINC000776936668 738246574 /nfs/dbraw/zinc/24/65/74/738246574.db2.gz IGRMPRJXAQJPJM-HNNXBMFYSA-N 1 0 362.857 2.878 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785980416 739016460 /nfs/dbraw/zinc/01/64/60/739016460.db2.gz YMDGDLCRXUIUHD-SFHVURJKSA-N 1 0 353.532 2.566 20 10 FFCDRO CCOC(=O)c1csc(CC[NH2+]Cc2ccc(OCC)cc2O)n1 ZINC000786823939 739080217 /nfs/dbraw/zinc/08/02/17/739080217.db2.gz QNYMBPYVBRVNDB-UHFFFAOYSA-N 1 0 350.440 2.756 20 10 FFCDRO COc1cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000788375732 739239303 /nfs/dbraw/zinc/23/93/03/739239303.db2.gz BIFNVKQLGMOBDP-OAHLLOKOSA-N 1 0 350.503 2.851 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2cnn(C)c2Cl)[NH+](C)C)cc1 ZINC000932389410 739443763 /nfs/dbraw/zinc/44/37/63/739443763.db2.gz POMRYPNIJMODAW-HNNXBMFYSA-N 1 0 364.881 2.564 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1F ZINC000796510352 740148732 /nfs/dbraw/zinc/14/87/32/740148732.db2.gz NQXXSGOPEXPHRU-INIZCTEOSA-N 1 0 371.522 2.576 20 10 FFCDRO CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1[O-] ZINC000806136772 741042395 /nfs/dbraw/zinc/04/23/95/741042395.db2.gz CEXFMJCPDFIKFH-XJKSGUPXSA-N 1 0 353.894 2.674 20 10 FFCDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808677102 741251313 /nfs/dbraw/zinc/25/13/13/741251313.db2.gz XZHYLXBHGHSGRG-AWEZNQCLSA-N 1 0 367.921 2.995 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c1O ZINC000808695887 741253022 /nfs/dbraw/zinc/25/30/22/741253022.db2.gz QYXJPBSQQLADNW-ZDUSSCGKSA-N 1 0 374.934 2.514 20 10 FFCDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000810262991 741402741 /nfs/dbraw/zinc/40/27/41/741402741.db2.gz JKRRSAMHMIGGNX-MRXNPFEDSA-N 1 0 353.532 2.609 20 10 FFCDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c1O ZINC000815640820 741949744 /nfs/dbraw/zinc/94/97/44/741949744.db2.gz IHQRHAOJRFIYKL-LLVKDONJSA-N 1 0 353.264 2.875 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)c1O ZINC000816656530 742051074 /nfs/dbraw/zinc/05/10/74/742051074.db2.gz VPMIPRBCXRTZIW-LJQANCHMSA-N 1 0 360.885 2.863 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000817159885 742098700 /nfs/dbraw/zinc/09/87/00/742098700.db2.gz OMMRHJQVUGZSFY-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Br)cc1O ZINC000818350133 742266027 /nfs/dbraw/zinc/26/60/27/742266027.db2.gz KBBIABSUYCLWNH-SNVBAGLBSA-N 1 0 350.278 2.630 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824556235 743104456 /nfs/dbraw/zinc/10/44/56/743104456.db2.gz NCTLNQQVGRGAOR-UHFFFAOYSA-N 1 0 367.921 2.730 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000824902626 743175710 /nfs/dbraw/zinc/17/57/10/743175710.db2.gz ZNZRIBKQDGUMHF-OAHLLOKOSA-N 1 0 356.260 2.925 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000825045520 743200432 /nfs/dbraw/zinc/20/04/32/743200432.db2.gz FXYPMVGUEWIPSX-ZFWWWQNUSA-N 1 0 351.834 2.798 20 10 FFCDRO COCCOc1ncccc1C[NH2+]Cc1ccc(Br)cc1O ZINC000825113723 743211104 /nfs/dbraw/zinc/21/11/04/743211104.db2.gz JQMDVAZNMJZZDH-UHFFFAOYSA-N 1 0 367.243 2.865 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000825184206 743223906 /nfs/dbraw/zinc/22/39/06/743223906.db2.gz XMKMHCDMOSNQAY-QGZVFWFLSA-N 1 0 361.873 2.856 20 10 FFCDRO COc1cc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000825628854 743303742 /nfs/dbraw/zinc/30/37/42/743303742.db2.gz LFWRDBNWDKPWHY-UHFFFAOYSA-N 1 0 350.503 2.587 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000825892464 743339714 /nfs/dbraw/zinc/33/97/14/743339714.db2.gz GACCDKWTHBKUOG-CQSZACIVSA-N 1 0 352.784 2.707 20 10 FFCDRO OC[C@@]1([C@@H]([NH2+]Cc2ccc(Br)cc2O)C2CC2)CCCO1 ZINC000826024193 743357585 /nfs/dbraw/zinc/35/75/85/743357585.db2.gz VFXKMDBWNWBTLH-JKSUJKDBSA-N 1 0 356.260 2.564 20 10 FFCDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(Br)cc1O)C(C)(C)CO ZINC000826049752 743362286 /nfs/dbraw/zinc/36/22/86/743362286.db2.gz YWMBQKYQDWEYGV-AWEZNQCLSA-N 1 0 368.275 2.738 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826780366 743440964 /nfs/dbraw/zinc/44/09/64/743440964.db2.gz KEORLNDTVFJPIT-UHFFFAOYSA-N 1 0 367.243 2.533 20 10 FFCDRO O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827310537 743552851 /nfs/dbraw/zinc/55/28/51/743552851.db2.gz PKRBHWAWGQQVCV-NAJQEWMASA-N 1 0 364.873 2.719 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000827549824 743599414 /nfs/dbraw/zinc/59/94/14/743599414.db2.gz VJJLOBHLAJEACV-INIZCTEOSA-N 1 0 369.303 2.806 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1SC ZINC000827661925 744957112 /nfs/dbraw/zinc/95/71/12/744957112.db2.gz IIAVTVMBZWWOSQ-GUDVDZBRSA-N 1 0 350.528 2.646 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000827776560 744975355 /nfs/dbraw/zinc/97/53/55/744975355.db2.gz WKQIFSGJXPPBMW-HUUCEWRRSA-N 1 0 354.422 2.838 20 10 FFCDRO [NH3+][C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC1 ZINC000828359520 745059090 /nfs/dbraw/zinc/05/90/90/745059090.db2.gz XIMZKYXXIPPFLM-INIZCTEOSA-N 1 0 353.413 2.500 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831212625 745499289 /nfs/dbraw/zinc/49/92/89/745499289.db2.gz SBIRGCBHFLTPQC-MNOVXSKESA-N 1 0 358.280 2.812 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000832266519 745668703 /nfs/dbraw/zinc/66/87/03/745668703.db2.gz GTQMMRVMROBGCJ-RDJZCZTQSA-N 1 0 361.536 2.961 20 10 FFCDRO CC(C)c1ncc(Cl)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832279335 745670714 /nfs/dbraw/zinc/67/07/14/745670714.db2.gz JCMWGWDXOFYKDH-OAHLLOKOSA-N 1 0 361.877 2.749 20 10 FFCDRO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300225 745674707 /nfs/dbraw/zinc/67/47/07/745674707.db2.gz PBLNCERDPQGTRG-DYVFJYSZSA-N 1 0 361.873 2.990 20 10 FFCDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCC1 ZINC000834586015 745862992 /nfs/dbraw/zinc/86/29/92/745862992.db2.gz XQHBIVUYGPXXOG-LJQANCHMSA-N 1 0 350.528 2.980 20 10 FFCDRO Fc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc(F)c1N1CCOCC1 ZINC000839146102 746788139 /nfs/dbraw/zinc/78/81/39/746788139.db2.gz WLKBPOYJVBTKAR-HNNXBMFYSA-N 1 0 352.425 2.993 20 10 FFCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(Cl)c1 ZINC000840937097 747234423 /nfs/dbraw/zinc/23/44/23/747234423.db2.gz HAXXLRLOZRVFRT-SNVBAGLBSA-N 1 0 350.768 2.854 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000840960596 747243616 /nfs/dbraw/zinc/24/36/16/747243616.db2.gz POYIGWQNYHUQCA-UHFFFAOYSA-N 1 0 364.305 2.766 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000840975188 747247752 /nfs/dbraw/zinc/24/77/52/747247752.db2.gz DTJHCJBNCSXFIT-AWEZNQCLSA-N 1 0 355.276 2.952 20 10 FFCDRO [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCCC1 ZINC000841706790 747436822 /nfs/dbraw/zinc/43/68/22/747436822.db2.gz KNQFZGXKHYNVJK-GOSISDBHSA-N 1 0 362.543 2.557 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2O)c1 ZINC000841744100 747446779 /nfs/dbraw/zinc/44/67/79/747446779.db2.gz DYFCEBKNQYQNEZ-LLVKDONJSA-N 1 0 354.859 2.805 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000841798947 747463628 /nfs/dbraw/zinc/46/36/28/747463628.db2.gz ODSSQABPPZTOTD-GOEBONIOSA-N 1 0 350.482 2.798 20 10 FFCDRO O=C(NCCCSc1nccs1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841855556 747477175 /nfs/dbraw/zinc/47/71/75/747477175.db2.gz BGAKJVHRYQJGBI-OAHLLOKOSA-N 1 0 362.524 2.812 20 10 FFCDRO CC(=O)NCC[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000842633450 747643863 /nfs/dbraw/zinc/64/38/63/747643863.db2.gz RLZCMBFDLBVGPT-UHFFFAOYSA-N 1 0 351.244 2.876 20 10 FFCDRO Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784365 747686547 /nfs/dbraw/zinc/68/65/47/747686547.db2.gz INUCAKSXGXKJLK-INIZCTEOSA-N 1 0 367.902 2.693 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccccc3C[S@@](C)=O)cc2)CC1 ZINC000843403471 747827386 /nfs/dbraw/zinc/82/73/86/747827386.db2.gz GOCSLJUZECTWLR-RUZDIDTESA-N 1 0 357.523 2.929 20 10 FFCDRO Cc1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])c(C)n1-c1ccc(Br)cn1 ZINC000843487055 747844380 /nfs/dbraw/zinc/84/43/80/747844380.db2.gz MZOCJBMOAJSOCK-WDEREUQCSA-N 1 0 365.275 2.717 20 10 FFCDRO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000845833779 748334464 /nfs/dbraw/zinc/33/44/64/748334464.db2.gz NUXQPAXRRWHETI-OAHLLOKOSA-N 1 0 363.845 2.665 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846071386 748396082 /nfs/dbraw/zinc/39/60/82/748396082.db2.gz CVOICHZETDVMKH-LLVKDONJSA-N 1 0 353.260 2.564 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000846476278 748488974 /nfs/dbraw/zinc/48/89/74/748488974.db2.gz MSEPWNCDSYLUFD-SFHVURJKSA-N 1 0 360.841 2.563 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cc(F)c(F)cc2F)cc1 ZINC000846664355 748522100 /nfs/dbraw/zinc/52/21/00/748522100.db2.gz YMZAOGJYJVUETL-QGZVFWFLSA-N 1 0 351.372 2.529 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000848517924 748948051 /nfs/dbraw/zinc/94/80/51/748948051.db2.gz HOMMGHLTNNJMES-VXGBXAGGSA-N 1 0 373.291 2.535 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCSCCCO)c1O ZINC000848529251 748950662 /nfs/dbraw/zinc/95/06/62/748950662.db2.gz TUQXKCLYKGUEEZ-SNVBAGLBSA-N 1 0 364.305 2.930 20 10 FFCDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848534729 748953037 /nfs/dbraw/zinc/95/30/37/748953037.db2.gz UHHUYYNGFIPCJH-SNVBAGLBSA-N 1 0 369.263 2.668 20 10 FFCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848538282 748954495 /nfs/dbraw/zinc/95/44/95/748954495.db2.gz WNCWAVUZTUODQA-VIFPVBQESA-N 1 0 359.264 2.586 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000848549384 748957277 /nfs/dbraw/zinc/95/72/77/748957277.db2.gz OJUCAIVPEMMUQN-MNOVXSKESA-N 1 0 371.275 2.825 20 10 FFCDRO CCc1cccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1O ZINC000848883139 749028141 /nfs/dbraw/zinc/02/81/41/749028141.db2.gz KAEZPMBJSQQKCS-UHFFFAOYSA-N 1 0 350.413 2.864 20 10 FFCDRO COc1cc(C[NH2+]CCS(=O)(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850090286 749300581 /nfs/dbraw/zinc/30/05/81/749300581.db2.gz IMBUJKSCPMSDHW-UHFFFAOYSA-N 1 0 372.531 2.506 20 10 FFCDRO COc1cc(C[NH2+][C@H]2CCCN(CCCO)C2)c(O)c(C(C)(C)C)c1 ZINC000850313109 749340025 /nfs/dbraw/zinc/34/00/25/749340025.db2.gz OWYBSPKBDGOUCF-INIZCTEOSA-N 1 0 350.503 2.635 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1OC ZINC000850353521 749350623 /nfs/dbraw/zinc/35/06/23/749350623.db2.gz FKHVRQBWZPISKS-QXAKKESOSA-N 1 0 351.487 2.887 20 10 FFCDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850405863 749360945 /nfs/dbraw/zinc/36/09/45/749360945.db2.gz IGKBTLKNDTVPPJ-RUZDIDTESA-N 1 0 358.507 2.675 20 10 FFCDRO C[C@H](CSCCF)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000850426591 749363374 /nfs/dbraw/zinc/36/33/74/749363374.db2.gz WROPITCNFFWEOM-ZBFHGGJFSA-N 1 0 353.507 2.569 20 10 FFCDRO CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(C(F)(F)F)cc1O ZINC000850510154 749378262 /nfs/dbraw/zinc/37/82/62/749378262.db2.gz VPIBELGKIOBTAJ-GDBMZVCRSA-N 1 0 363.376 2.620 20 10 FFCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850519160 749380785 /nfs/dbraw/zinc/38/07/85/749380785.db2.gz LGTKCWQEJSWCCQ-GFCCVEGCSA-N 1 0 352.422 2.770 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851791738 749677843 /nfs/dbraw/zinc/67/78/43/749677843.db2.gz CLWNAUBNBZJKON-HNNXBMFYSA-N 1 0 359.308 2.678 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000852835010 749963088 /nfs/dbraw/zinc/96/30/88/749963088.db2.gz HFHJLLXIZRWUKC-UHFFFAOYSA-N 1 0 359.495 2.611 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)cc1 ZINC000852899637 749971244 /nfs/dbraw/zinc/97/12/44/749971244.db2.gz AYWUJDSEEHTKHS-QAPCUYQASA-N 1 0 359.857 2.744 20 10 FFCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)Cc2ccccc21 ZINC000895660410 970819069 /nfs/dbraw/zinc/81/90/69/970819069.db2.gz QPIFBKAPRDUPCE-MRXNPFEDSA-N 1 0 357.406 2.682 20 10 FFCDRO O=C1CO[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)CN1Cc1ccccc1 ZINC000895680065 970847112 /nfs/dbraw/zinc/84/71/12/970847112.db2.gz JWOVMXLMYCDVGL-OAQYLSRUSA-N 1 0 370.424 2.535 20 10 FFCDRO Cc1cc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c(C)n1-c1cccc(C)c1 ZINC000895774200 970935431 /nfs/dbraw/zinc/93/54/31/970935431.db2.gz WSKZFXYEJGIYFU-HXUWFJFHSA-N 1 0 367.493 2.787 20 10 FFCDRO Cc1ccc(CCC[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC000895813036 970979389 /nfs/dbraw/zinc/97/93/89/970979389.db2.gz AIJQYQZGIIWZJL-UHFFFAOYSA-N 1 0 366.509 2.814 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821198320 945654243 /nfs/dbraw/zinc/65/42/43/945654243.db2.gz RLYXZCLYLDFYMK-UHFFFAOYSA-N 1 0 366.469 2.882 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279105668 958949576 /nfs/dbraw/zinc/94/95/76/958949576.db2.gz DIICSSRBZFKDJC-GASCZTMLSA-N 1 0 362.424 2.738 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)cc1C ZINC000970042432 960074251 /nfs/dbraw/zinc/07/42/51/960074251.db2.gz HBYZHAPMSJSOQL-HSALFYBXSA-N 1 0 365.477 2.893 20 10 FFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3OCC[C@H]3C)CC2)cc1C ZINC001167267692 960536272 /nfs/dbraw/zinc/53/62/72/960536272.db2.gz ZKHKQYMLCLHLMT-BEFAXECRSA-N 1 0 360.498 2.805 20 10 FFCDRO COc1ccc(C[NH2+]CC2(CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)cc1C ZINC001167288962 960826469 /nfs/dbraw/zinc/82/64/69/960826469.db2.gz JHSCPJGWACLBQT-VQIMIIECSA-N 1 0 360.498 2.947 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C\c3ccco3)cc2F)CC1 ZINC000255069305 961022675 /nfs/dbraw/zinc/02/26/75/961022675.db2.gz PDVHTEHPTOUTOP-VURMDHGXSA-N 1 0 357.429 2.890 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000653142827 962219629 /nfs/dbraw/zinc/21/96/29/962219629.db2.gz YACDSHPBPSVURX-IBGZPJMESA-N 1 0 355.482 2.776 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1Cn1cccn1 ZINC000873012764 1013347463 /nfs/dbraw/zinc/34/74/63/1013347463.db2.gz XAUZKDACPAOBGV-UHFFFAOYSA-N 1 0 351.454 2.691 20 10 FFCDRO CCn1nc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891254291 962612665 /nfs/dbraw/zinc/61/26/65/962612665.db2.gz YESSNUYXIBTPRH-SFHVURJKSA-N 1 0 357.502 2.619 20 10 FFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1Cn1cccn1 ZINC000873049933 1013363662 /nfs/dbraw/zinc/36/36/62/1013363662.db2.gz ISRBUMSAVFGWQK-NRFANRHFSA-N 1 0 351.450 2.937 20 10 FFCDRO COc1ccc(C[NH2+]CCCNc2ccccn2)cc1Cn1cccn1 ZINC000873073193 1013375692 /nfs/dbraw/zinc/37/56/92/1013375692.db2.gz LZOUZKMMRPUIQX-UHFFFAOYSA-N 1 0 351.454 2.927 20 10 FFCDRO O=C1N(Cc2cnoc2)CCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001276064292 1013387039 /nfs/dbraw/zinc/38/70/39/1013387039.db2.gz ROBAETOOLGTFJG-UHFFFAOYSA-N 1 0 359.401 2.534 20 10 FFCDRO CCOCCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001276063504 1013389053 /nfs/dbraw/zinc/38/90/53/1013389053.db2.gz HDVRAEMOKCVLME-FQEVSTJZSA-N 1 0 364.461 2.772 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncc(F)c4nccnc34)cc2)CC1 ZINC001167427107 963028843 /nfs/dbraw/zinc/02/88/43/963028843.db2.gz XXLKPTOYCYSKQN-UHFFFAOYSA-N 1 0 352.417 2.528 20 10 FFCDRO CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000068548948 963668054 /nfs/dbraw/zinc/66/80/54/963668054.db2.gz XHPPFUKVRQMEBU-SFHVURJKSA-N 1 0 374.529 2.567 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000891392603 963817983 /nfs/dbraw/zinc/81/79/83/963817983.db2.gz XJIWLHBYMIIYCI-HOCLYGCPSA-N 1 0 372.435 2.811 20 10 FFCDRO COC(=O)c1c(C[NH2+]C[C@H](CO)Cc2ccco2)c2cc(F)ccc2n1C ZINC000894339404 964845010 /nfs/dbraw/zinc/84/50/10/964845010.db2.gz XSHZUEKZWRTRRE-CYBMUJFWSA-N 1 0 374.412 2.638 20 10 FFCDRO COc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c(O)c1OC ZINC000894568753 965490178 /nfs/dbraw/zinc/49/01/78/965490178.db2.gz AQQLJBKLNNYHDG-QGZVFWFLSA-N 1 0 358.438 2.588 20 10 FFCDRO COC(=O)c1c(C[N@H+](C)CCCn2ccnc2)c2cc(F)ccc2n1C ZINC000894777508 965687586 /nfs/dbraw/zinc/68/75/86/965687586.db2.gz RGBILOHCAQPTBU-UHFFFAOYSA-N 1 0 358.417 2.823 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C(C)(C)C)CC2)cc1 ZINC000729475490 965937420 /nfs/dbraw/zinc/93/74/20/965937420.db2.gz WCMCFNDTDZBFTP-LJQANCHMSA-N 1 0 359.514 2.854 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1cnn(CC2CCC2)c1 ZINC000934558071 966698801 /nfs/dbraw/zinc/69/88/01/966698801.db2.gz WXXOHBIORUDRQU-INIZCTEOSA-N 1 0 369.513 2.716 20 10 FFCDRO Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccn1 ZINC000895109804 967640839 /nfs/dbraw/zinc/64/08/39/967640839.db2.gz XSCZUKGNDZXHGZ-IBGZPJMESA-N 1 0 355.486 2.558 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000892400522 968269580 /nfs/dbraw/zinc/26/95/80/968269580.db2.gz SRLXIOAYHWRDFL-ZBFHGGJFSA-N 1 0 357.454 2.721 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(O)c1OC ZINC000892559461 969484425 /nfs/dbraw/zinc/48/44/25/969484425.db2.gz MNERUAUJOGWRSM-UHFFFAOYSA-N 1 0 370.449 2.822 20 10 FFCDRO CCC(CC)[NH2+]CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000892674355 969781119 /nfs/dbraw/zinc/78/11/19/969781119.db2.gz IGILNVVMWWZYKG-UHFFFAOYSA-N 1 0 362.518 2.741 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn(Cc4ccccc4)nn3)C2)cc1 ZINC000895310939 970303838 /nfs/dbraw/zinc/30/38/38/970303838.db2.gz SUBKRXCNJFIDJD-GOSISDBHSA-N 1 0 363.465 2.704 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000237257764 970399435 /nfs/dbraw/zinc/39/94/35/970399435.db2.gz OAVSVAJIJKZYGU-INIZCTEOSA-N 1 0 359.514 2.806 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1O ZINC000875392877 1014021538 /nfs/dbraw/zinc/02/15/38/1014021538.db2.gz FGELESRGBAKJOK-POZUXBRTSA-N 1 0 361.486 2.520 20 10 FFCDRO C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1O ZINC000875392880 1014021561 /nfs/dbraw/zinc/02/15/61/1014021561.db2.gz FGELESRGBAKJOK-YJLNNSPDSA-N 1 0 361.486 2.520 20 10 FFCDRO COC(=O)CNC(=O)CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179646527 970753405 /nfs/dbraw/zinc/75/34/05/970753405.db2.gz BBAQTKVOXUNUCU-INIZCTEOSA-N 1 0 370.449 2.635 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000876023799 1014111308 /nfs/dbraw/zinc/11/13/08/1014111308.db2.gz SYSXITZNYOPSMD-ZDUSSCGKSA-N 1 0 373.457 2.747 20 10 FFCDRO C[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237293566 974083726 /nfs/dbraw/zinc/08/37/26/974083726.db2.gz OYEZSJHZXINGOK-PKOBYXMFSA-N 1 0 359.514 2.507 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCC[C@H]2CC[NH2+]C2)CCCC1 ZINC000653049479 1014215016 /nfs/dbraw/zinc/21/50/16/1014215016.db2.gz NGWUGDWKUQKRQD-OAHLLOKOSA-N 1 0 355.482 2.645 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccn(C(F)F)c1=O ZINC000876551374 1014299067 /nfs/dbraw/zinc/29/90/67/1014299067.db2.gz PVSGXQCKRKNNDG-UHFFFAOYSA-N 1 0 363.408 2.712 20 10 FFCDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000876612562 1014323202 /nfs/dbraw/zinc/32/32/02/1014323202.db2.gz POCGVQKMIZESTK-QGZVFWFLSA-N 1 0 356.470 2.719 20 10 FFCDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876656222 1014341585 /nfs/dbraw/zinc/34/15/85/1014341585.db2.gz IAHQMNOUEDVJHK-LJQANCHMSA-N 1 0 373.541 2.776 20 10 FFCDRO CCN(Cc1ccccn1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101736 976912499 /nfs/dbraw/zinc/91/24/99/976912499.db2.gz LMSMLGMMBQJXMD-HXUWFJFHSA-N 1 0 369.513 2.982 20 10 FFCDRO CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@H]4C[NH2+]C[C@@H]4C3)c2C)cc1 ZINC000728914723 977465100 /nfs/dbraw/zinc/46/51/00/977465100.db2.gz VLUMLZIFWGDJHR-QZTJIDSGSA-N 1 0 367.493 2.827 20 10 FFCDRO COc1ccc([C@@H](C[NH2+]Cc2c(C)cccc2O)N2CCOCC2)cc1 ZINC000876890813 1014410687 /nfs/dbraw/zinc/41/06/87/1014410687.db2.gz JVPLOOPZSIMAOA-HXUWFJFHSA-N 1 0 356.466 2.872 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@]12CCCO2 ZINC000876965208 1014434724 /nfs/dbraw/zinc/43/47/24/1014434724.db2.gz DZABBAXLLYXIPL-BHDDXSALSA-N 1 0 374.525 2.712 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000876988600 1014441672 /nfs/dbraw/zinc/44/16/72/1014441672.db2.gz IKFRURMBDYCJOJ-UHFFFAOYSA-N 1 0 373.432 2.954 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000729306393 978235414 /nfs/dbraw/zinc/23/54/14/978235414.db2.gz ZUIWVEZIUCZADQ-UHFFFAOYSA-N 1 0 359.514 2.748 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000178867719 978255590 /nfs/dbraw/zinc/25/55/90/978255590.db2.gz WGXQETBTVOTPGM-FOIQADDNSA-N 1 0 371.456 2.819 20 10 FFCDRO COc1ccc(-n2c(C)cc(C(=O)NCCN3CCOC[C@@H]3C)c2C)cc1 ZINC000729384626 978269631 /nfs/dbraw/zinc/26/96/31/978269631.db2.gz AMKRBOAJIITXHG-INIZCTEOSA-N 1 0 371.481 2.553 20 10 FFCDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877476207 1014595649 /nfs/dbraw/zinc/59/56/49/1014595649.db2.gz YCSICSNOCWKEOX-HNNXBMFYSA-N 1 0 363.502 2.651 20 10 FFCDRO Cc1cccc(O)c1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000877555558 1014625628 /nfs/dbraw/zinc/62/56/28/1014625628.db2.gz WAMVSMVMNBIRDK-UHFFFAOYSA-N 1 0 355.394 2.567 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(c4ccncn4)CC3)cc2)CC1 ZINC000877586501 1014636966 /nfs/dbraw/zinc/63/69/66/1014636966.db2.gz HNNWXNBEWXWRBQ-UHFFFAOYSA-N 1 0 352.482 2.817 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)CC3(O)CCCCC3)C2)cc1 ZINC000905288180 980414803 /nfs/dbraw/zinc/41/48/03/980414803.db2.gz AVAGXGKLXXEVAY-IEBWSBKVSA-N 1 0 362.514 2.557 20 10 FFCDRO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877644639 1014657915 /nfs/dbraw/zinc/65/79/15/1014657915.db2.gz YDSSSTPULJMTTA-UHFFFAOYSA-N 1 0 354.498 2.955 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@H](n3cccn3)C(F)(F)F)cc2)CC1 ZINC000877648989 1014660696 /nfs/dbraw/zinc/66/06/96/1014660696.db2.gz YWLBPFHVSUTHDR-KRWDZBQOSA-N 1 0 368.403 2.737 20 10 FFCDRO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000897424675 980528984 /nfs/dbraw/zinc/52/89/84/980528984.db2.gz AUABRUATIOPZQF-UHFFFAOYSA-N 1 0 361.486 2.670 20 10 FFCDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000906419781 980654312 /nfs/dbraw/zinc/65/43/12/980654312.db2.gz OHUCCSSNXCUHPT-HKUYNNGSSA-N 1 0 359.514 2.822 20 10 FFCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000906511433 980674065 /nfs/dbraw/zinc/67/40/65/980674065.db2.gz KJBBAVDYEIIUIM-QGZVFWFLSA-N 1 0 359.514 2.902 20 10 FFCDRO Oc1ccc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000877706613 1014692594 /nfs/dbraw/zinc/69/25/94/1014692594.db2.gz HWWAMNXJAPCOTM-UHFFFAOYSA-N 1 0 367.493 2.547 20 10 FFCDRO CN(C)c1ccc([C@@H](CNc2ccc(-c3ccnn3C)nn2)[NH+](C)C)cc1 ZINC000897522773 981427758 /nfs/dbraw/zinc/42/77/58/981427758.db2.gz ONMRVDAIGLIHTF-LJQANCHMSA-N 1 0 365.485 2.658 20 10 FFCDRO COC(=O)Cc1ccnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000897523329 981430889 /nfs/dbraw/zinc/43/08/89/981430889.db2.gz UIWVQPJSXWAEIB-SFHVURJKSA-N 1 0 356.470 2.578 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000877922062 1014766925 /nfs/dbraw/zinc/76/69/25/1014766925.db2.gz PEFBKQXASYJXCH-HXUWFJFHSA-N 1 0 360.498 2.541 20 10 FFCDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCc1ccc(N)cc1 ZINC000841956477 982466820 /nfs/dbraw/zinc/46/68/20/982466820.db2.gz FPQTXDJKBYXOGZ-UHFFFAOYSA-N 1 0 358.461 2.724 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000911632743 983859660 /nfs/dbraw/zinc/85/96/60/983859660.db2.gz JTKUBWQMOSANQM-SFHVURJKSA-N 1 0 367.497 2.939 20 10 FFCDRO CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001107056886 983879645 /nfs/dbraw/zinc/87/96/45/983879645.db2.gz AJZZPOGWRDHMBE-BPLDGKMQSA-N 1 0 363.437 2.895 20 10 FFCDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCCc2ccc(N)cc2)cc1 ZINC000911783851 983897628 /nfs/dbraw/zinc/89/76/28/983897628.db2.gz ZOMRRCAVBAQRCL-GHXNOFRVSA-N 1 0 353.466 2.581 20 10 FFCDRO Cc1cccnc1NC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878357543 1015002121 /nfs/dbraw/zinc/00/21/21/1015002121.db2.gz CILLNMOXQPXUEQ-MRXNPFEDSA-N 1 0 354.454 2.516 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1 ZINC000186076035 984089098 /nfs/dbraw/zinc/08/90/98/984089098.db2.gz CXCKZXAFJCUUGK-HZPDHXFCSA-N 1 0 370.449 2.731 20 10 FFCDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000055897630 984394841 /nfs/dbraw/zinc/39/48/41/984394841.db2.gz VEYBLEIPRYPNOR-UHFFFAOYSA-N 1 0 369.465 2.855 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000056342404 984431363 /nfs/dbraw/zinc/43/13/63/984431363.db2.gz IMIILJUHBFIALQ-LJQANCHMSA-N 1 0 358.461 2.994 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000057646533 984512154 /nfs/dbraw/zinc/51/21/54/984512154.db2.gz BHHZBNOQZGFPAA-LJQANCHMSA-N 1 0 358.461 2.994 20 10 FFCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000157760439 984633951 /nfs/dbraw/zinc/63/39/51/984633951.db2.gz ZPGZDSYTHAELKM-FQEVSTJZSA-N 1 0 362.420 2.799 20 10 FFCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(C)(C)O1 ZINC000765253738 985005487 /nfs/dbraw/zinc/00/54/87/985005487.db2.gz LWHYBYYLLLAFKC-AEFFLSMTSA-N 1 0 359.514 2.824 20 10 FFCDRO CC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000170915569 985173614 /nfs/dbraw/zinc/17/36/14/985173614.db2.gz LQSZRFWQAGPEPK-OAGGEKHMSA-N 1 0 365.493 2.786 20 10 FFCDRO C[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000172606836 985626968 /nfs/dbraw/zinc/62/69/68/985626968.db2.gz ROJNLURDGJOBBX-UHFFFAOYSA-N 1 0 372.513 2.877 20 10 FFCDRO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921999227 987480399 /nfs/dbraw/zinc/48/03/99/987480399.db2.gz JPAFVCFRRGYZQR-UHFFFAOYSA-N 1 0 372.490 2.841 20 10 FFCDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000914571199 987791389 /nfs/dbraw/zinc/79/13/89/987791389.db2.gz NHQBVSOWYUMPLU-UHFFFAOYSA-N 1 0 367.371 2.831 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000914789707 987913261 /nfs/dbraw/zinc/91/32/61/987913261.db2.gz CWZPCGYUJFIUOB-PKOBYXMFSA-N 1 0 359.514 2.854 20 10 FFCDRO CCC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccccc1O ZINC000153371098 987925019 /nfs/dbraw/zinc/92/50/19/987925019.db2.gz JUEOZSZDSGUFQW-UHFFFAOYSA-N 1 0 356.382 2.886 20 10 FFCDRO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000762720814 988606427 /nfs/dbraw/zinc/60/64/27/988606427.db2.gz BWEVJPYFCXNFDF-OAQYLSRUSA-N 1 0 355.482 2.507 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1Cn1cccn1 ZINC000922523305 988668826 /nfs/dbraw/zinc/66/88/26/988668826.db2.gz JYHPKZKZYSRKRG-RTBURBONSA-N 1 0 372.538 2.609 20 10 FFCDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C/c2ccc(N(C)C)cc2)cn1 ZINC000922526037 988670204 /nfs/dbraw/zinc/67/02/04/988670204.db2.gz HYQPZBFESPOFAY-QYUKCPRWSA-N 1 0 367.497 2.592 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3CC(F)(F)F)cc2)CC1 ZINC000922708570 988836054 /nfs/dbraw/zinc/83/60/54/988836054.db2.gz YJKOQPLVZOBNAB-KRWDZBQOSA-N 1 0 371.447 2.764 20 10 FFCDRO CN1CCOc2c1cn[nH+]c2NCc1cc(Cl)c2cccnc2c1O ZINC001168521726 989993100 /nfs/dbraw/zinc/99/31/00/989993100.db2.gz ICEDKZZGPWJNRF-UHFFFAOYSA-N 1 0 357.801 2.825 20 10 FFCDRO [O-]c1c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc(F)c1F ZINC000703326033 990132497 /nfs/dbraw/zinc/13/24/97/990132497.db2.gz APZZXHXGZAFWCZ-UHFFFAOYSA-N 1 0 362.420 2.787 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154583074 990308329 /nfs/dbraw/zinc/30/83/29/990308329.db2.gz JZWBPXDGUPXKNM-RDJZCZTQSA-N 1 0 352.438 2.807 20 10 FFCDRO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000920921573 990933322 /nfs/dbraw/zinc/93/33/22/990933322.db2.gz MJSVYUXLEBWZOM-ILZDJORESA-N 1 0 372.513 2.510 20 10 FFCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000879648463 1015625114 /nfs/dbraw/zinc/62/51/14/1015625114.db2.gz QHHULRQUCOBILB-HUUCEWRRSA-N 1 0 370.449 2.561 20 10 FFCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000879651288 1015625778 /nfs/dbraw/zinc/62/57/78/1015625778.db2.gz QHHULRQUCOBILB-GJZGRUSLSA-N 1 0 370.449 2.561 20 10 FFCDRO CC[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC001484644149 991717716 /nfs/dbraw/zinc/71/77/16/991717716.db2.gz USUPSWYZRAJHFO-MSOLQXFVSA-N 1 0 360.498 2.947 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000181513432 991788780 /nfs/dbraw/zinc/78/87/80/991788780.db2.gz LADLEUWJFRXBBO-FQEVSTJZSA-N 1 0 361.530 2.632 20 10 FFCDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)ccc1OC ZINC000808446566 994120920 /nfs/dbraw/zinc/12/09/20/994120920.db2.gz KZTXXBHWJHEABG-MISYRCLQSA-N 1 0 360.498 2.968 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1N1CCCCC1 ZINC000810171755 994715256 /nfs/dbraw/zinc/71/52/56/994715256.db2.gz SITRYTOINXQWHJ-OAHLLOKOSA-N 1 0 355.442 2.955 20 10 FFCDRO CC[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810216469 994731338 /nfs/dbraw/zinc/73/13/38/994731338.db2.gz WDJVANDJMPCRKE-OAHLLOKOSA-N 1 0 373.419 2.616 20 10 FFCDRO O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000811510892 995172906 /nfs/dbraw/zinc/17/29/06/995172906.db2.gz RFJMSOWPFMDVMM-FQEVSTJZSA-N 1 0 373.497 2.766 20 10 FFCDRO CN(C)c1ccc(CN(C)CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000811731295 995230187 /nfs/dbraw/zinc/23/01/87/995230187.db2.gz ZUGKLECKFQCVMM-RTBURBONSA-N 1 0 357.498 2.702 20 10 FFCDRO COc1cc(C)ccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001133123384 995333099 /nfs/dbraw/zinc/33/30/99/995333099.db2.gz JOTKANWLLSLPEL-UHFFFAOYSA-N 1 0 353.466 2.685 20 10 FFCDRO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000812780878 995532137 /nfs/dbraw/zinc/53/21/37/995532137.db2.gz VZOJDGNQKPPINB-OAQYLSRUSA-N 1 0 355.434 2.938 20 10 FFCDRO OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000812780884 995532766 /nfs/dbraw/zinc/53/27/66/995532766.db2.gz ACLDRVOPZDQANF-QFIPXVFZSA-N 1 0 370.468 2.798 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cnc(C)nc3C)C[C@H]2C)cc1C ZINC001082813630 995558740 /nfs/dbraw/zinc/55/87/40/995558740.db2.gz BLQFQRZDJDNYKE-AUUYWEPGSA-N 1 0 368.481 2.661 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CCCOC3)C[C@H]2C)cc1C ZINC001082926512 995844176 /nfs/dbraw/zinc/84/41/76/995844176.db2.gz GJCOBWKDTLHCGR-NZSAHSFTSA-N 1 0 360.498 2.757 20 10 FFCDRO COc1cc(C)ccc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000824086170 996792046 /nfs/dbraw/zinc/79/20/46/996792046.db2.gz UJIMQJQIJMTPHL-LJQANCHMSA-N 1 0 367.493 2.995 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000730087580 996835625 /nfs/dbraw/zinc/83/56/25/996835625.db2.gz WDLCOJLCLUAFRC-RTWAWAEBSA-N 1 0 367.493 2.765 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824601665 997007964 /nfs/dbraw/zinc/00/79/64/997007964.db2.gz LMOFPCBJFLIACM-OAHLLOKOSA-N 1 0 361.486 2.688 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000824694489 997057802 /nfs/dbraw/zinc/05/78/02/997057802.db2.gz RGVPPLLNHQJJBO-LMMKCTJWSA-N 1 0 374.529 2.646 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)C2)cc1 ZINC000824693680 997058772 /nfs/dbraw/zinc/05/87/72/997058772.db2.gz MPXIPZSUVWWGGT-QZTJIDSGSA-N 1 0 374.529 2.694 20 10 FFCDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824861643 997111913 /nfs/dbraw/zinc/11/19/13/997111913.db2.gz PAWNFODCJOZKJP-AEFFLSMTSA-N 1 0 364.461 2.874 20 10 FFCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825109981 997214475 /nfs/dbraw/zinc/21/44/75/997214475.db2.gz BTTSLUWNKBIRCE-STQMWFEESA-N 1 0 354.406 2.577 20 10 FFCDRO COc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC ZINC000825111815 997216439 /nfs/dbraw/zinc/21/64/39/997216439.db2.gz PQVJWYOACONRIZ-KBPBESRZSA-N 1 0 370.449 2.865 20 10 FFCDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)[C@H]1n1cccn1 ZINC000825118548 997218702 /nfs/dbraw/zinc/21/87/02/997218702.db2.gz UJLKOKVMKQHEQR-MORSLUCNSA-N 1 0 359.426 2.604 20 10 FFCDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000730823452 997489223 /nfs/dbraw/zinc/48/92/23/997489223.db2.gz LCCBUFIXLOSCEY-QZTJIDSGSA-N 1 0 374.529 2.585 20 10 FFCDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000844201986 997721696 /nfs/dbraw/zinc/72/16/96/997721696.db2.gz GZPAERXSDGLAAN-UHFFFAOYSA-N 1 0 352.482 2.971 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000844401828 997862151 /nfs/dbraw/zinc/86/21/51/997862151.db2.gz RYPASMOJHWNXDM-UHFFFAOYSA-N 1 0 355.442 2.652 20 10 FFCDRO C[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000844926662 998233862 /nfs/dbraw/zinc/23/38/62/998233862.db2.gz JEYSKMAGDVUTKD-SFHVURJKSA-N 1 0 374.529 2.712 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1cccc(O)c1)cc2=O ZINC000731845795 998273194 /nfs/dbraw/zinc/27/31/94/998273194.db2.gz FQIPVGDFZHRWSH-LBPRGKRZSA-N 1 0 370.409 2.510 20 10 FFCDRO CN(C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1)C(=O)OC(C)(C)C ZINC001144499875 998608617 /nfs/dbraw/zinc/60/86/17/998608617.db2.gz NDTQCQDPXPAUEM-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@H]21 ZINC001144504577 998611848 /nfs/dbraw/zinc/61/18/48/998611848.db2.gz VWPVVYPTKCTEIU-SWLSCSKDSA-N 1 0 364.442 2.635 20 10 FFCDRO COc1cccc(C(=O)C2CC[NH+](Cc3c(O)cc(O)cc3O)CC2)c1 ZINC001144504113 998612088 /nfs/dbraw/zinc/61/20/88/998612088.db2.gz MDDCKUWHKWBEKY-UHFFFAOYSA-N 1 0 357.406 2.907 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2c1cnn2CC1CC1 ZINC001144510102 998623695 /nfs/dbraw/zinc/62/36/95/998623695.db2.gz RICMYAODNVHKIQ-CQSZACIVSA-N 1 0 373.453 2.546 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1C ZINC001000263815 1016292149 /nfs/dbraw/zinc/29/21/49/1016292149.db2.gz FPRMZCXFXJDJLP-MLYOOKFZSA-N 1 0 358.482 2.652 20 10 FFCDRO COc1cccc(C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1O ZINC000734845836 999348334 /nfs/dbraw/zinc/34/83/34/999348334.db2.gz IIRAILMQOJKESW-NRFANRHFSA-N 1 0 356.466 2.518 20 10 FFCDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(C(C)(C)C)cc(O)c3O)CC2)C1 ZINC000738208303 999622614 /nfs/dbraw/zinc/62/26/14/999622614.db2.gz LFKSVEMYJWENJU-GOSISDBHSA-N 1 0 361.530 2.607 20 10 FFCDRO CC(C)[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(N(C)C)cc1 ZINC000766240020 999652302 /nfs/dbraw/zinc/65/23/02/999652302.db2.gz SUISJYKPCWULCX-HXUWFJFHSA-N 1 0 359.514 2.600 20 10 FFCDRO CCOC(=O)[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000741242708 999715426 /nfs/dbraw/zinc/71/54/26/999715426.db2.gz RIIBKCVEFRXPNK-SFHVURJKSA-N 1 0 359.422 2.781 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000741774864 999741422 /nfs/dbraw/zinc/74/14/22/999741422.db2.gz JVRATMBAPOVNMU-UHFFFAOYSA-N 1 0 372.513 2.829 20 10 FFCDRO CN(C(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000743627310 999826746 /nfs/dbraw/zinc/82/67/46/999826746.db2.gz YYODJAZDQXAPRB-HNNXBMFYSA-N 1 0 373.478 2.872 20 10 FFCDRO CC(C)C[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000744212582 999847713 /nfs/dbraw/zinc/84/77/13/999847713.db2.gz QZOFBPBZHCZKQS-HZPDHXFCSA-N 1 0 365.493 2.643 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cc1C ZINC001086392217 999887271 /nfs/dbraw/zinc/88/72/71/999887271.db2.gz CPGPTESYZXYJQC-BRSBDYLESA-N 1 0 368.481 2.515 20 10 FFCDRO CCc1cccnc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000766441559 999994840 /nfs/dbraw/zinc/99/48/40/999994840.db2.gz CQVSTYXZUAMGGQ-UHFFFAOYSA-N 1 0 370.472 2.855 20 10 FFCDRO CN(Cc1cnnn1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000845954917 1000184860 /nfs/dbraw/zinc/18/48/60/1000184860.db2.gz YPRBIRCQTFGXSS-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO Cc1ncc2n1C[C@@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CC2 ZINC000846259940 1000247514 /nfs/dbraw/zinc/24/75/14/1000247514.db2.gz CJVCSYIXGRZXBL-QAPCUYQASA-N 1 0 354.498 2.876 20 10 FFCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768440786 1000248346 /nfs/dbraw/zinc/24/83/46/1000248346.db2.gz DSZBVFVXEJAIAL-HOCLYGCPSA-N 1 0 360.458 2.671 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)cc1OC ZINC000768443631 1000248779 /nfs/dbraw/zinc/24/87/79/1000248779.db2.gz ILIQCCSWYXWBOX-UHFFFAOYSA-N 1 0 366.458 2.710 20 10 FFCDRO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc2c(cc1O)CCCC2 ZINC000768462063 1000261465 /nfs/dbraw/zinc/26/14/65/1000261465.db2.gz IQEKBQNFZHHQDP-UHFFFAOYSA-N 1 0 364.445 2.999 20 10 FFCDRO C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC[N@@H+]1Cc1ccccc1 ZINC000768466704 1000264414 /nfs/dbraw/zinc/26/44/14/1000264414.db2.gz VBNWVMZKIHYAMN-IIBYNOLFSA-N 1 0 368.477 2.914 20 10 FFCDRO C[C@H]1C[N@H+](Cc2cccc(I)c2[O-])CCC[C@H]1C[NH3+] ZINC001206028304 1000501418 /nfs/dbraw/zinc/50/14/18/1000501418.db2.gz YBFHTXPVXJIAAD-RYUDHWBXSA-N 1 0 374.266 2.804 20 10 FFCDRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC001147838282 1000986054 /nfs/dbraw/zinc/98/60/54/1000986054.db2.gz UNPFXSJSIVSQOU-TZIWHRDSSA-N 1 0 373.541 2.632 20 10 FFCDRO [NH3+]C1(Cc2cccc(Cl)c2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148224877 1001075865 /nfs/dbraw/zinc/07/58/65/1001075865.db2.gz YLROMVAFQKEVIR-UHFFFAOYSA-N 1 0 360.841 2.927 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)cc2)CC1 ZINC000771519491 1001135339 /nfs/dbraw/zinc/13/53/39/1001135339.db2.gz GHOLVONICAHOBD-RGEXLXHISA-N 1 0 365.408 2.922 20 10 FFCDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1cc(O)c(O)c(O)c1 ZINC001148587038 1001176375 /nfs/dbraw/zinc/17/63/75/1001176375.db2.gz BCMFPIBAGXUXJS-YOEHRIQHSA-N 1 0 370.449 2.786 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000785917538 1001500531 /nfs/dbraw/zinc/50/05/31/1001500531.db2.gz PZEVQQHUDPPPED-UHFFFAOYSA-N 1 0 350.422 2.695 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)cc1 ZINC000786634105 1001615458 /nfs/dbraw/zinc/61/54/58/1001615458.db2.gz VSAIIWBQHOZKIV-UHFFFAOYSA-N 1 0 359.514 2.856 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cc[nH]c(=O)c3)CC2)cc1 ZINC000788507569 1001815904 /nfs/dbraw/zinc/81/59/04/1001815904.db2.gz RMYADOXYPQTKQY-QGZVFWFLSA-N 1 0 370.497 2.659 20 10 FFCDRO CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000788606881 1001831743 /nfs/dbraw/zinc/83/17/43/1001831743.db2.gz AJZOGJLPKDRLDE-LSDHHAIUSA-N 1 0 365.428 2.917 20 10 FFCDRO COCC[N@@H+]1CCN(Cc2ccc(Br)cc2O)C(C)(C)C1 ZINC001182683423 1002008304 /nfs/dbraw/zinc/00/83/04/1002008304.db2.gz CCIXWEUXXGKZQE-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000827000986 1016594467 /nfs/dbraw/zinc/59/44/67/1016594467.db2.gz QYKOSQXUSXQZCE-GOSISDBHSA-N 1 0 368.433 2.998 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1 ZINC001183855003 1002414496 /nfs/dbraw/zinc/41/44/96/1002414496.db2.gz LNOBFOPKOLTGRI-UHFFFAOYSA-N 1 0 362.495 2.725 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000746979888 1002583001 /nfs/dbraw/zinc/58/30/01/1002583001.db2.gz XBMXLACSKVKIIW-SFHVURJKSA-N 1 0 370.472 2.965 20 10 FFCDRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000791567163 1002743520 /nfs/dbraw/zinc/74/35/20/1002743520.db2.gz HEQLAOFUCZJMHC-KLHDSHLOSA-N 1 0 363.477 2.538 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1ccc(F)cc1)cc2=O ZINC000103482831 1003044417 /nfs/dbraw/zinc/04/44/17/1003044417.db2.gz MBDZPZZOILCJQL-UHFFFAOYSA-N 1 0 372.400 2.776 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1C ZINC000774992039 1003252368 /nfs/dbraw/zinc/25/23/68/1003252368.db2.gz KENFIAUJMBEQQS-UHFFFAOYSA-N 1 0 374.506 2.528 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000793092320 1003274551 /nfs/dbraw/zinc/27/45/51/1003274551.db2.gz NIQQOISCBSQFHA-QAPCUYQASA-N 1 0 369.465 2.863 20 10 FFCDRO CN(Cc1nc2ccccc2n1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775695037 1003703494 /nfs/dbraw/zinc/70/34/94/1003703494.db2.gz DLWDZWWVPYESMT-UHFFFAOYSA-N 1 0 363.509 2.957 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCc4c(cccc4[N+](=O)[O-])C3)cc2)CC1 ZINC000775698592 1003704215 /nfs/dbraw/zinc/70/42/15/1003704215.db2.gz OVCOQYOBYSZOMI-UHFFFAOYSA-N 1 0 366.465 2.905 20 10 FFCDRO C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000805866909 1004164263 /nfs/dbraw/zinc/16/42/63/1004164263.db2.gz SEKZJKIJFCZZEB-JXFKEZNVSA-N 1 0 356.514 2.816 20 10 FFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806636334 1004380679 /nfs/dbraw/zinc/38/06/79/1004380679.db2.gz ZDNRTOXTQYYXTH-APWZRJJASA-N 1 0 356.514 2.837 20 10 FFCDRO C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000806685339 1004387125 /nfs/dbraw/zinc/38/71/25/1004387125.db2.gz RQYJPVOYSCGWHB-ZDUSSCGKSA-N 1 0 370.444 2.506 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1C ZINC000104052137 1004398707 /nfs/dbraw/zinc/39/87/07/1004398707.db2.gz NORATMGRIVCPBX-UHFFFAOYSA-N 1 0 350.466 2.975 20 10 FFCDRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775834332 1004569031 /nfs/dbraw/zinc/56/90/31/1004569031.db2.gz RRQZMXHBLDZIHG-JXFKEZNVSA-N 1 0 358.482 2.990 20 10 FFCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)C1 ZINC001199608009 1004984661 /nfs/dbraw/zinc/98/46/61/1004984661.db2.gz APJYQKPTOGJKQG-HNNXBMFYSA-N 1 0 370.522 2.623 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=S)NCc3ccccc3)cc2)CC1 ZINC001195641789 1005006093 /nfs/dbraw/zinc/00/60/93/1005006093.db2.gz OZIXDOGMNMYDGG-UHFFFAOYSA-N 1 0 354.523 2.603 20 10 FFCDRO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(OC)ccc3O)[C@@H](C)C2)cc1 ZINC000775666372 1005007443 /nfs/dbraw/zinc/00/74/43/1005007443.db2.gz WZODTKPJYIBZMS-HNNXBMFYSA-N 1 0 370.449 2.898 20 10 FFCDRO Cc1noc(C)c1CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001201373087 1005202824 /nfs/dbraw/zinc/20/28/24/1005202824.db2.gz RGJDLBVHBKZTDN-UHFFFAOYSA-N 1 0 360.477 2.905 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc4c(c(OC)c3)OCO4)C2)cc1 ZINC000850346880 1005808929 /nfs/dbraw/zinc/80/89/29/1005808929.db2.gz YTZNEFWTBWSAAI-OAHLLOKOSA-N 1 0 356.422 2.801 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000850345597 1005809080 /nfs/dbraw/zinc/80/90/80/1005809080.db2.gz FRIZIEYACLYDNN-LJQANCHMSA-N 1 0 365.477 2.956 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCN(C(=O)c4ccoc4)CC3)C2)cc1 ZINC000850346609 1005809083 /nfs/dbraw/zinc/80/90/83/1005809083.db2.gz HUTJFDGCFUQCKR-GOSISDBHSA-N 1 0 369.465 2.761 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(N2CCOCC2)cc1 ZINC000109347493 1005816631 /nfs/dbraw/zinc/81/66/31/1005816631.db2.gz UCSTUNYUANYXII-LAUBAEHRSA-N 1 0 365.477 2.979 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cnnn4)cc3)C2)cc1 ZINC000850488391 1005818596 /nfs/dbraw/zinc/81/85/96/1005818596.db2.gz MOGHCTDHUGVWPK-WBVHZDCISA-N 1 0 364.453 2.600 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]C3CCC(O)(C(F)(F)F)CC3)cc2)CC1 ZINC000850566200 1005823070 /nfs/dbraw/zinc/82/30/70/1005823070.db2.gz LSFWOHBUPYPBMC-UHFFFAOYSA-N 1 0 372.431 2.973 20 10 FFCDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000109770768 1005862302 /nfs/dbraw/zinc/86/23/02/1005862302.db2.gz TYCUMZJLKKTVQI-LBPRGKRZSA-N 1 0 359.382 2.768 20 10 FFCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852343597 1005986546 /nfs/dbraw/zinc/98/65/46/1005986546.db2.gz FBCFHVCLNPWNTK-SJORKVTESA-N 1 0 362.518 2.694 20 10 FFCDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000852355231 1005990732 /nfs/dbraw/zinc/99/07/32/1005990732.db2.gz QHELYKRTFYQGEP-IEBWSBKVSA-N 1 0 363.546 2.592 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)Cc3cccc(F)c3F)cc2)CC1 ZINC000881850955 1006242660 /nfs/dbraw/zinc/24/26/60/1006242660.db2.gz MATPMLVINDAVRJ-UHFFFAOYSA-N 1 0 359.420 2.576 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)cc2)CC1 ZINC000881854549 1006243504 /nfs/dbraw/zinc/24/35/04/1006243504.db2.gz GDHJRTONUGOWME-BHIFYINESA-N 1 0 361.489 2.641 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000853121824 1006305376 /nfs/dbraw/zinc/30/53/76/1006305376.db2.gz JBJRPRRYFHFGNS-FQEVSTJZSA-N 1 0 362.420 2.749 20 10 FFCDRO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235068 1006362863 /nfs/dbraw/zinc/36/28/63/1006362863.db2.gz LIWVXYKCNSRXRB-RDJZCZTQSA-N 1 0 370.449 2.511 20 10 FFCDRO CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000853486510 1006407059 /nfs/dbraw/zinc/40/70/59/1006407059.db2.gz FJILNQWNMXXJOQ-PXNSSMCTSA-N 1 0 374.529 2.710 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]1c1ccco1)[C@H](O)CO2 ZINC000853549802 1006440544 /nfs/dbraw/zinc/44/05/44/1006440544.db2.gz ITOALYKQIDSPSE-APWZRJJASA-N 1 0 357.406 2.765 20 10 FFCDRO Oc1ccc2oc3c(c2c1C[NH+]1CCN([C@H]2CCOC2)CC1)CCCC3 ZINC000853552650 1006442908 /nfs/dbraw/zinc/44/29/08/1006442908.db2.gz IHKBLIXMSNZLDF-HNNXBMFYSA-N 1 0 356.466 2.924 20 10 FFCDRO Cc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)c(C)c1 ZINC000853612751 1006475181 /nfs/dbraw/zinc/47/51/81/1006475181.db2.gz DXKZNBSYIBPJKM-FQEVSTJZSA-N 1 0 354.450 2.757 20 10 FFCDRO Cc1ccc2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)cn2c1 ZINC001134882033 1006524797 /nfs/dbraw/zinc/52/47/97/1006524797.db2.gz KJRAZSVRKYESSZ-IBGZPJMESA-N 1 0 365.481 2.741 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2nc(Cl)cs2)[NH+](C)C)cc1 ZINC001134881766 1006525410 /nfs/dbraw/zinc/52/54/10/1006525410.db2.gz GTQGMHAGTXPBBM-CYBMUJFWSA-N 1 0 352.891 2.895 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3[nH]c(C)cc3C)cc2F)CC1 ZINC000156244579 1006604815 /nfs/dbraw/zinc/60/48/15/1006604815.db2.gz BGLAPAWOUMDNBL-UHFFFAOYSA-N 1 0 358.461 2.843 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001152394514 1032159333 /nfs/dbraw/zinc/15/93/33/1032159333.db2.gz GRESEZHDCMOTRE-UHFFFAOYSA-N 1 0 366.425 2.890 20 10 FFCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000775203510 1006749966 /nfs/dbraw/zinc/74/99/66/1006749966.db2.gz LJGFTMLYAWDLOZ-PZJWPPBQSA-N 1 0 362.514 2.523 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)C2)cc1 ZINC000854298218 1006764888 /nfs/dbraw/zinc/76/48/88/1006764888.db2.gz YKJYXXMSXZROKQ-ABSDTBQOSA-N 1 0 372.513 2.542 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CCC(CC[NH+](C)C)CC3)C2)cc1 ZINC000854301159 1006765590 /nfs/dbraw/zinc/76/55/90/1006765590.db2.gz JNTYYWMUVWOXHG-SFHVURJKSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)C2)cc1 ZINC000854300392 1006766782 /nfs/dbraw/zinc/76/67/82/1006766782.db2.gz YZHYIGHUNDSOPK-AEFFLSMTSA-N 1 0 374.529 2.646 20 10 FFCDRO Cc1cnc([C@@H](C)NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883498887 1006821110 /nfs/dbraw/zinc/82/11/10/1006821110.db2.gz ACPNXWJZRKIQRZ-OAHLLOKOSA-N 1 0 373.526 2.764 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1O ZINC001116211531 1032194215 /nfs/dbraw/zinc/19/42/15/1032194215.db2.gz HRSKZTWGEVIUJO-GFCCVEGCSA-N 1 0 350.846 2.739 20 10 FFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258563 1007127437 /nfs/dbraw/zinc/12/74/37/1007127437.db2.gz DYARONAZRIVOHG-RXVVDRJESA-N 1 0 370.493 2.922 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(O)c1 ZINC000816641530 1007146160 /nfs/dbraw/zinc/14/61/60/1007146160.db2.gz VDJRSDIMNSAPLY-IBGZPJMESA-N 1 0 354.450 2.724 20 10 FFCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)cc1 ZINC000855231466 1007199466 /nfs/dbraw/zinc/19/94/66/1007199466.db2.gz ADWVPDDHGNSAHX-UZLBHIALSA-N 1 0 357.498 2.797 20 10 FFCDRO COCC[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000884179390 1007291724 /nfs/dbraw/zinc/29/17/24/1007291724.db2.gz MZTBWEKRVHPRIW-HXUWFJFHSA-N 1 0 371.481 2.658 20 10 FFCDRO C[NH2+]CCOc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000884194033 1007306085 /nfs/dbraw/zinc/30/60/85/1007306085.db2.gz XCSTVCVJDDFXBI-UHFFFAOYSA-N 1 0 353.466 2.815 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C3CCCC3)C1)cc2=O ZINC000817282744 1007506474 /nfs/dbraw/zinc/50/64/74/1007506474.db2.gz JLKGRFFKIUWTCZ-CQSZACIVSA-N 1 0 358.442 2.624 20 10 FFCDRO COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775368796 1007510688 /nfs/dbraw/zinc/51/06/88/1007510688.db2.gz GCDHUARPAIMELE-ZBFHGGJFSA-N 1 0 361.438 2.638 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000775376007 1007585748 /nfs/dbraw/zinc/58/57/48/1007585748.db2.gz RAOKMYRTWFHXRH-OLZOCXBDSA-N 1 0 372.421 2.850 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCCCC1 ZINC000856211373 1007727396 /nfs/dbraw/zinc/72/73/96/1007727396.db2.gz NVABKFUGNAUYLC-KRWDZBQOSA-N 1 0 359.514 2.528 20 10 FFCDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817938571 1007816526 /nfs/dbraw/zinc/81/65/26/1007816526.db2.gz NJFXKAQPJDRUOX-UZLBHIALSA-N 1 0 354.498 2.784 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc(C[NH3+])cc3)C2)cc1 ZINC000818635578 1007956839 /nfs/dbraw/zinc/95/68/39/1007956839.db2.gz MZCOOMISOURIBR-MRXNPFEDSA-N 1 0 354.454 2.802 20 10 FFCDRO Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968331 1008011309 /nfs/dbraw/zinc/01/13/09/1008011309.db2.gz RAOBPWYDSXBOTM-RXVVDRJESA-N 1 0 367.493 2.520 20 10 FFCDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000819164856 1008053314 /nfs/dbraw/zinc/05/33/14/1008053314.db2.gz MYUWTWYPELCZRE-CALCHBBNSA-N 1 0 373.497 2.915 20 10 FFCDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000857333347 1008123771 /nfs/dbraw/zinc/12/37/71/1008123771.db2.gz JBYRTJOZIAZXDZ-SFHVURJKSA-N 1 0 359.514 2.528 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000819379136 1008127252 /nfs/dbraw/zinc/12/72/52/1008127252.db2.gz CSYAWURJCPDHSQ-FOIQADDNSA-N 1 0 371.437 2.753 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000819381267 1008128033 /nfs/dbraw/zinc/12/80/33/1008128033.db2.gz XEFXIMJQRACREN-APWZRJJASA-N 1 0 374.456 2.690 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)COc3ccccc3)C2)cc1 ZINC000819381036 1008128282 /nfs/dbraw/zinc/12/82/82/1008128282.db2.gz UPYIBMXXWDHBHX-HKUYNNGSSA-N 1 0 356.466 2.551 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000858151065 1008312613 /nfs/dbraw/zinc/31/26/13/1008312613.db2.gz ROMQKPMDXPFUIY-UHFFFAOYSA-N 1 0 357.454 2.640 20 10 FFCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)[C@H]1CCCO1 ZINC000858225727 1008328387 /nfs/dbraw/zinc/32/83/87/1008328387.db2.gz IWXWPDVMEVDZQA-FCHUYYIVSA-N 1 0 352.478 2.879 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)[C@H](C)C1 ZINC000858226919 1008328545 /nfs/dbraw/zinc/32/85/45/1008328545.db2.gz QROZXAMLRZUKQB-SJLPKXTDSA-N 1 0 363.502 2.637 20 10 FFCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000858323204 1008346276 /nfs/dbraw/zinc/34/62/76/1008346276.db2.gz RIOURFJTWQAJAV-MRXNPFEDSA-N 1 0 353.466 2.747 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3nocc3C)C2)cc1C ZINC001086847314 1008466220 /nfs/dbraw/zinc/46/62/20/1008466220.db2.gz NTTWVKFAYISTCW-DLBZAZTESA-N 1 0 357.454 2.988 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)cc1 ZINC000886149391 1008589390 /nfs/dbraw/zinc/58/93/90/1008589390.db2.gz MWBNWUMITDDRJE-MSOLQXFVSA-N 1 0 360.498 2.839 20 10 FFCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000777117654 1008627766 /nfs/dbraw/zinc/62/77/66/1008627766.db2.gz XUKWFUWYQMZYFY-YZVOILCLSA-N 1 0 355.486 2.721 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3ccc(F)cc3F)cc2)CC1 ZINC000886325656 1008639440 /nfs/dbraw/zinc/63/94/40/1008639440.db2.gz NANGFQUOGJMDNN-UHFFFAOYSA-N 1 0 359.420 2.956 20 10 FFCDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)O2)[C@H]1C ZINC000886341270 1008644696 /nfs/dbraw/zinc/64/46/96/1008644696.db2.gz SFMYXAQAKLMXEN-ZCLUNYJNSA-N 1 0 360.498 2.585 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000860603542 1009078529 /nfs/dbraw/zinc/07/85/29/1009078529.db2.gz HGBUHAIBTAULEZ-UHFFFAOYSA-N 1 0 355.482 2.859 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)NC3CCC([NH+](C)C)CC3)C2)cc1 ZINC000823700897 1009178089 /nfs/dbraw/zinc/17/80/89/1009178089.db2.gz UTXXHTADZIIYCX-WWDZGPRUSA-N 1 0 374.529 2.694 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)[NH+](C)C)cc1 ZINC001180178886 1009573383 /nfs/dbraw/zinc/57/33/83/1009573383.db2.gz HNILZCLPGMCNKA-NRJQMVOHSA-N 1 0 371.525 2.867 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CN1CC[NH+](C(C)C)CC1 ZINC001180351941 1009644403 /nfs/dbraw/zinc/64/44/03/1009644403.db2.gz DSFHTZCXXACYMB-NRFANRHFSA-N 1 0 373.541 2.775 20 10 FFCDRO O=C(NCc1ccc2cccnc2c1O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000862026341 1009667997 /nfs/dbraw/zinc/66/79/97/1009667997.db2.gz KZRQJBIQSBVAJR-KRWDZBQOSA-N 1 0 371.506 2.774 20 10 FFCDRO CCOC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000862275515 1009779428 /nfs/dbraw/zinc/77/94/28/1009779428.db2.gz WJZHFKICJHMVAR-MRXNPFEDSA-N 1 0 369.465 2.946 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(O)c1 ZINC000862352801 1009803537 /nfs/dbraw/zinc/80/35/37/1009803537.db2.gz HQRJRHUFVRASOR-DYVFJYSZSA-N 1 0 366.458 2.515 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@H](C(=O)OC)[C@@H](c3ccc(O)cc3)C2)c1O ZINC000862497599 1009858596 /nfs/dbraw/zinc/85/85/96/1009858596.db2.gz XPTYBSJQBWXGRB-MSOLQXFVSA-N 1 0 371.433 2.885 20 10 FFCDRO CCOC[C@H]1C[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)CCO1 ZINC000863310646 1010170947 /nfs/dbraw/zinc/17/09/47/1010170947.db2.gz MIMDGXYMCCEOTC-OAHLLOKOSA-N 1 0 359.422 2.569 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC001181656718 1010198768 /nfs/dbraw/zinc/19/87/68/1010198768.db2.gz UKDBSGQBACXEJX-DOTOQJQBSA-N 1 0 354.516 2.713 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(CCO)C2)C1 ZINC000889983468 1010227359 /nfs/dbraw/zinc/22/73/59/1010227359.db2.gz QUBUXPFDIDZQHW-UHFFFAOYSA-N 1 0 369.509 2.685 20 10 FFCDRO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000119576693 1010283049 /nfs/dbraw/zinc/28/30/49/1010283049.db2.gz GOMARGQLLREMTD-OXQOHEQNSA-N 1 0 353.466 2.791 20 10 FFCDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000773958246 1010318442 /nfs/dbraw/zinc/31/84/42/1010318442.db2.gz CPVXYXNBCDYDKG-NRFANRHFSA-N 1 0 361.530 2.992 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)C[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000119634479 1010321867 /nfs/dbraw/zinc/32/18/67/1010321867.db2.gz MOHNZPVZFMWHFO-FQEVSTJZSA-N 1 0 353.466 2.870 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3c(C)cnn3C)C[C@H]2C)cc1C ZINC001093977053 1010779584 /nfs/dbraw/zinc/77/95/84/1010779584.db2.gz MZDCQGBLOHYGDD-SJLPKXTDSA-N 1 0 370.497 2.543 20 10 FFCDRO CC(C)n1ncnc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000865517045 1010804358 /nfs/dbraw/zinc/80/43/58/1010804358.db2.gz LHGXRDSMKJWAIO-UHFFFAOYSA-N 1 0 368.529 2.681 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3nccs3)C[C@H]2C)cc1C ZINC001094128700 1010876482 /nfs/dbraw/zinc/87/64/82/1010876482.db2.gz WWBMLZQZOBVZNH-GDBMZVCRSA-N 1 0 359.495 2.958 20 10 FFCDRO C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2O)CC1 ZINC000121149380 1011023616 /nfs/dbraw/zinc/02/36/16/1011023616.db2.gz BFGAVWAIWQDLLC-GOSISDBHSA-N 1 0 367.493 2.729 20 10 FFCDRO COc1ccc(N2CCN(C(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)CC2)cc1 ZINC000868181657 1011191761 /nfs/dbraw/zinc/19/17/61/1011191761.db2.gz BYIYYWYZLNAFKG-VQTJNVASSA-N 1 0 366.465 2.864 20 10 FFCDRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000773312125 1011318456 /nfs/dbraw/zinc/31/84/56/1011318456.db2.gz TZIHJENFXXDRTJ-IAGOWNOFSA-N 1 0 374.529 2.614 20 10 FFCDRO CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001171904995 1011529284 /nfs/dbraw/zinc/52/92/84/1011529284.db2.gz IMWAPSLSJJREOZ-MKTAYPAQSA-N 1 0 351.443 2.621 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CCN(C3CC3)C(=O)C2)C1 ZINC001172015399 1011584488 /nfs/dbraw/zinc/58/44/88/1011584488.db2.gz DLLVAVMXBLOZAZ-OAHLLOKOSA-N 1 0 353.466 2.698 20 10 FFCDRO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc2c(c1)OCCN2C ZINC001275027113 1011827233 /nfs/dbraw/zinc/82/72/33/1011827233.db2.gz GNBIZYQLHFOGOP-QZTJIDSGSA-N 1 0 357.498 2.737 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)c1 ZINC001275238530 1012121948 /nfs/dbraw/zinc/12/19/48/1012121948.db2.gz KENPERDOVZRCHB-OAQYLSRUSA-N 1 0 351.450 2.720 20 10 FFCDRO CC[C@H](C)N1C(=O)C[C@]2(CCC[N@H+](Cc3cc(OC)ccc3O)C2)C1=O ZINC001275253741 1012151540 /nfs/dbraw/zinc/15/15/40/1012151540.db2.gz FXCAMOVLDBQMDZ-XOBRGWDASA-N 1 0 360.454 2.540 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001275253782 1012152579 /nfs/dbraw/zinc/15/25/79/1012152579.db2.gz GTZKFPLVLWCOSK-IBGZPJMESA-N 1 0 368.424 2.871 20 10 FFCDRO OCC[C@]1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOC1 ZINC000796360870 1012361001 /nfs/dbraw/zinc/36/10/01/1012361001.db2.gz QPHLGEKKCRNTML-QFIPXVFZSA-N 1 0 352.478 2.880 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870861094 1012610712 /nfs/dbraw/zinc/61/07/12/1012610712.db2.gz CVIDNWMQDBKDNJ-NSHGMRRFSA-N 1 0 359.514 2.778 20 10 FFCDRO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000924726181 1017450331 /nfs/dbraw/zinc/45/03/31/1017450331.db2.gz LMCZYGYEYHYANR-NVXWUHKLSA-N 1 0 368.481 2.643 20 10 FFCDRO CC1(C)CC2(CC([NH2+]Cc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)C2)CO1 ZINC000924729461 1017452017 /nfs/dbraw/zinc/45/20/17/1017452017.db2.gz OADKDFJBHODMGT-LYGNXSNRSA-N 1 0 371.525 2.826 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)cc1 ZINC000827458473 1018116284 /nfs/dbraw/zinc/11/62/84/1018116284.db2.gz DMHCLZNFLLBSDJ-HXUWFJFHSA-N 1 0 371.456 2.616 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)cc1 ZINC000827458484 1018116401 /nfs/dbraw/zinc/11/64/01/1018116401.db2.gz FFIPTNOQWGQNIG-NRFANRHFSA-N 1 0 365.477 2.621 20 10 FFCDRO CCOC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)nc1 ZINC000827468097 1018182749 /nfs/dbraw/zinc/18/27/49/1018182749.db2.gz LIEAZPATJDPDJK-UHFFFAOYSA-N 1 0 369.465 2.979 20 10 FFCDRO CCCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccccc1O ZINC000801599398 1019159144 /nfs/dbraw/zinc/15/91/44/1019159144.db2.gz MNPVXMXVFKUSTK-UHFFFAOYSA-N 1 0 359.470 2.859 20 10 FFCDRO COc1cc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)cc1Br ZINC001222252275 1032850004 /nfs/dbraw/zinc/85/00/04/1032850004.db2.gz BUISBUDLZOPNLV-MRXNPFEDSA-N 1 0 355.276 2.881 20 10 FFCDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000902238291 1019997877 /nfs/dbraw/zinc/99/78/77/1019997877.db2.gz MEJRTJCIFZSBSH-UHFFFAOYSA-N 1 0 373.522 2.561 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000828882865 1032889512 /nfs/dbraw/zinc/88/95/12/1032889512.db2.gz FCXAONVGSIRVEG-AZUAARDMSA-N 1 0 359.514 2.602 20 10 FFCDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000726245912 1020441766 /nfs/dbraw/zinc/44/17/66/1020441766.db2.gz RUKWXNORKOYHAG-SJORKVTESA-N 1 0 362.518 2.614 20 10 FFCDRO C[NH2+][C@H]1C[C@@H](Oc2c(C)cc3c(c2OC)C(=O)c2c(O)cccc2C3=O)C1 ZINC001217956914 1032917178 /nfs/dbraw/zinc/91/71/78/1032917178.db2.gz IYPKZZOGALEZHH-TXEJJXNPSA-N 1 0 367.401 2.614 20 10 FFCDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(NC(C)=O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001217956918 1032918228 /nfs/dbraw/zinc/91/82/28/1032918228.db2.gz JDPATTSFLBKNFZ-BETUJISGSA-N 1 0 364.401 2.550 20 10 FFCDRO C[NH2+][C@H]1C[C@@H](Oc2cc3c(c(OC)c2C)C(=O)c2ccccc2C3=O)C1 ZINC001217957782 1032918615 /nfs/dbraw/zinc/91/86/15/1032918615.db2.gz UGQDADPPXDJBLA-BETUJISGSA-N 1 0 351.402 2.908 20 10 FFCDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000829003018 1032940884 /nfs/dbraw/zinc/94/08/84/1032940884.db2.gz HCCOFLFBDBHVFD-OALUTQOASA-N 1 0 354.450 2.990 20 10 FFCDRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOCC1 ZINC000933880610 1021108054 /nfs/dbraw/zinc/10/80/54/1021108054.db2.gz DHZBICKPZLHCFP-CYBMUJFWSA-N 1 0 367.417 2.572 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218016821 1032954776 /nfs/dbraw/zinc/95/47/76/1032954776.db2.gz GMMQBEYRXSVZOE-ZBFHGGJFSA-N 1 0 369.392 2.945 20 10 FFCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1O ZINC000749967799 1021174289 /nfs/dbraw/zinc/17/42/89/1021174289.db2.gz CELPGZCXHZGTOI-CQSZACIVSA-N 1 0 374.462 2.805 20 10 FFCDRO COc1cc(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)ccc1O ZINC001116437865 1021216056 /nfs/dbraw/zinc/21/60/56/1021216056.db2.gz WDVQSGAFECBOQL-UHFFFAOYSA-N 1 0 373.472 2.924 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC001116565355 1021287415 /nfs/dbraw/zinc/28/74/15/1021287415.db2.gz PWPHRPWJULUIRW-RDJZCZTQSA-N 1 0 359.514 2.781 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@H]1CC[NH2+]C[C@H]1F)C(=O)c1ccccc1C2=O ZINC001218068261 1032978307 /nfs/dbraw/zinc/97/83/07/1032978307.db2.gz DNLSIJCJJXFSJA-ZBFHGGJFSA-N 1 0 355.365 2.555 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)cc2F)CC1 ZINC001116826426 1021439367 /nfs/dbraw/zinc/43/93/67/1021439367.db2.gz PFUQTOWTZQNFSP-UHFFFAOYSA-N 1 0 361.505 2.970 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CC(=O)[O-])c3cccs3)cc2)CC1 ZINC001117078381 1021558459 /nfs/dbraw/zinc/55/84/59/1021558459.db2.gz DGYBVLZHIPVCKZ-QGZVFWFLSA-N 1 0 359.495 2.806 20 10 FFCDRO Cc1c(O)cc2c(c1O[C@@H]1CC[C@@]13CC[NH2+]C3)C(=O)c1ccccc1C2=O ZINC001218113976 1033003273 /nfs/dbraw/zinc/00/32/73/1033003273.db2.gz AOVOWOUZNBMALL-VGSWGCGISA-N 1 0 363.413 2.997 20 10 FFCDRO CC(C)(C)c1cc(O)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1Cl ZINC001222515606 1033023133 /nfs/dbraw/zinc/02/31/33/1033023133.db2.gz WEDMYQDSMPTXSL-IRXDYDNUSA-N 1 0 351.922 2.869 20 10 FFCDRO CCC(CC)NC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042956048 1022204402 /nfs/dbraw/zinc/20/44/02/1022204402.db2.gz BNBDOMYPVKBONW-UHFFFAOYSA-N 1 0 362.518 2.695 20 10 FFCDRO COc1c(C)c(O[C@H](C)C2C[NH2+]C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218194769 1033042437 /nfs/dbraw/zinc/04/24/37/1033042437.db2.gz NANVXEWVTVFNEM-GFCCVEGCSA-N 1 0 351.402 2.766 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)cc1C ZINC001019134962 1022404693 /nfs/dbraw/zinc/40/46/93/1022404693.db2.gz AWOFULOYXZGVQG-DSKINZAPSA-N 1 0 358.482 2.653 20 10 FFCDRO CN(C)c1ccc(CN2C[C@@]3(F)CN(CC(C)(C)C)C[C@@]3(F)C2=O)cc1 ZINC001276373335 1022542179 /nfs/dbraw/zinc/54/21/79/1022542179.db2.gz GHWZSCPXGOUPHW-VQTJNVASSA-N 1 0 365.468 2.873 20 10 FFCDRO COc1ccc(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000158896955 1022587076 /nfs/dbraw/zinc/58/70/76/1022587076.db2.gz NMVLIUMXRRFOCP-GOSISDBHSA-N 1 0 359.445 2.690 20 10 FFCDRO CNC(=O)C1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCC1 ZINC000779174814 1023292543 /nfs/dbraw/zinc/29/25/43/1023292543.db2.gz CHBYHECPMOHDHU-UHFFFAOYSA-N 1 0 360.458 2.734 20 10 FFCDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)c1ccc(N2CCOCC2)cc1 ZINC001120584185 1023370749 /nfs/dbraw/zinc/37/07/49/1023370749.db2.gz ZCTNCEAHRZXJBU-LAUBAEHRSA-N 1 0 372.513 2.512 20 10 FFCDRO CCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(O)c1 ZINC000779225748 1023387442 /nfs/dbraw/zinc/38/74/42/1023387442.db2.gz WBKOXOHPAPSUBP-JOCHJYFZSA-N 1 0 370.493 2.860 20 10 FFCDRO CC[N@H+](C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@H](C)C(C)C ZINC000754020910 1023416328 /nfs/dbraw/zinc/41/63/28/1023416328.db2.gz WWAOOQJWBIGRKV-UYAOXDASSA-N 1 0 363.546 2.545 20 10 FFCDRO CC[NH+](CC)CCOCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000754495412 1023477465 /nfs/dbraw/zinc/47/74/65/1023477465.db2.gz GKQNVYAJYFSDAV-UHFFFAOYSA-N 1 0 358.486 2.577 20 10 FFCDRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000754795473 1023518907 /nfs/dbraw/zinc/51/89/07/1023518907.db2.gz XVYOJZHYVIYEQP-MRXNPFEDSA-N 1 0 357.502 2.839 20 10 FFCDRO Cc1cc(O[C@H]2CC[NH2+]C[C@@H]2C)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218416919 1033147187 /nfs/dbraw/zinc/14/71/87/1033147187.db2.gz UUAUNKFTHWFWRL-LRDDRELGSA-N 1 0 351.402 2.853 20 10 FFCDRO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(C)n1-c1cccc(C)c1 ZINC000078477639 1023849860 /nfs/dbraw/zinc/84/98/60/1023849860.db2.gz DWGFOUABQPAXPG-UHFFFAOYSA-N 1 0 368.525 2.770 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSc3ccc(C)cn3)CC2)cc1 ZINC000758209054 1023964376 /nfs/dbraw/zinc/96/43/76/1023964376.db2.gz HEAOTMIXBKJNTR-GOSISDBHSA-N 1 0 373.522 2.674 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCCCC34CC[NH2+]CC4)CC2)cc1 ZINC001121898299 1024149691 /nfs/dbraw/zinc/14/96/91/1024149691.db2.gz ZGPPQXPTBFWZRW-HXUWFJFHSA-N 1 0 371.525 2.904 20 10 FFCDRO CC1CCN(c2ccc(CNC(=O)c3cc4n(n3)CCC[C@@H]4[NH3+])cc2)CC1 ZINC001121997786 1024249477 /nfs/dbraw/zinc/24/94/77/1024249477.db2.gz HXMSEOYHACCJEQ-SFHVURJKSA-N 1 0 367.497 2.843 20 10 FFCDRO Cc1cc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137855912 1033220546 /nfs/dbraw/zinc/22/05/46/1033220546.db2.gz JWDUCNDAMPOZAF-NJYVYQBISA-N 1 0 367.493 2.914 20 10 FFCDRO C[C@H]([NH2+]C1(CNC(=O)Cc2ccc(N)cc2)CCOCC1)c1ccccc1 ZINC000829579388 1033231557 /nfs/dbraw/zinc/23/15/57/1033231557.db2.gz JAKFKDOWFLPBJZ-KRWDZBQOSA-N 1 0 367.493 2.828 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1F ZINC000084926075 1025158349 /nfs/dbraw/zinc/15/83/49/1025158349.db2.gz BVQYJTFHOUFQDS-UHFFFAOYSA-N 1 0 360.385 2.591 20 10 FFCDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CN(c5ccccc5)C(=O)[C@H]4C3)ccc21 ZINC001141140316 1025507824 /nfs/dbraw/zinc/50/78/24/1025507824.db2.gz DTRGKAXAHRRRIA-HKUYNNGSSA-N 1 0 363.461 2.610 20 10 FFCDRO COC[C@H]1COCCC12CC[NH+](Cc1ccc3c(c1)OCCN3C)CC2 ZINC001141141915 1025510081 /nfs/dbraw/zinc/51/00/81/1025510081.db2.gz ZWSHBPXPXCEPEX-SFHVURJKSA-N 1 0 360.498 2.780 20 10 FFCDRO COc1ccc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCN4C)C2)nc1 ZINC001141145760 1025522477 /nfs/dbraw/zinc/52/24/77/1025522477.db2.gz HQBMRNLGALXNKH-KRWDZBQOSA-N 1 0 355.438 2.572 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c1 ZINC001141158621 1025540026 /nfs/dbraw/zinc/54/00/26/1025540026.db2.gz HGFLANARMHHFIS-YLJYHZDGSA-N 1 0 356.422 2.695 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)c1 ZINC001141159065 1025540280 /nfs/dbraw/zinc/54/02/80/1025540280.db2.gz XNEZRVXVTKNRSI-OZOXKJRCSA-N 1 0 370.449 2.689 20 10 FFCDRO Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(O)ccc4O)CC[N@@H+]3C2)cc1 ZINC001141159009 1025541072 /nfs/dbraw/zinc/54/10/72/1025541072.db2.gz VVCLKUYCBIYXKE-XLIONFOSSA-N 1 0 354.450 2.744 20 10 FFCDRO Oc1ccc(O)c(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001141160111 1025542606 /nfs/dbraw/zinc/54/26/06/1025542606.db2.gz QDDBENDSVYHZNU-QFBILLFUSA-N 1 0 358.413 2.574 20 10 FFCDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839519182 1026712648 /nfs/dbraw/zinc/71/26/48/1026712648.db2.gz GGSFZJYXYLSHFE-IERDGZPVSA-N 1 0 361.530 2.536 20 10 FFCDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000839542192 1026723383 /nfs/dbraw/zinc/72/33/83/1026723383.db2.gz QKDZRPLEMPIEJV-OAHLLOKOSA-N 1 0 355.438 2.556 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000840187114 1027003020 /nfs/dbraw/zinc/00/30/20/1027003020.db2.gz FWPUUGFXCBJPBE-HNNXBMFYSA-N 1 0 370.449 2.821 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000840481780 1027088767 /nfs/dbraw/zinc/08/87/67/1027088767.db2.gz NKJQQAIHAYGBHR-ZWOKBUDYSA-N 1 0 360.546 2.974 20 10 FFCDRO COCCCCC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092126552 1027227675 /nfs/dbraw/zinc/22/76/75/1027227675.db2.gz SDBHSMAZMMQWMJ-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000795725866 1028015917 /nfs/dbraw/zinc/01/59/17/1028015917.db2.gz LHZQTMXJFGCIGF-MAUKXSAKSA-N 1 0 371.433 2.870 20 10 FFCDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000780510603 1028721056 /nfs/dbraw/zinc/72/10/56/1028721056.db2.gz HFMJVIDQSXGWJQ-HNNXBMFYSA-N 1 0 364.530 2.975 20 10 FFCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001163488381 1028941645 /nfs/dbraw/zinc/94/16/45/1028941645.db2.gz YYHSOOROAAQPEG-FQEVSTJZSA-N 1 0 367.497 2.944 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cncnc3Cl)CC2)cc1 ZINC001156256778 1029115131 /nfs/dbraw/zinc/11/51/31/1029115131.db2.gz GHHXWRQXCRROAE-UHFFFAOYSA-N 1 0 361.877 2.763 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3ncc(C)nc3C)CC2)cc1 ZINC001156257118 1029115209 /nfs/dbraw/zinc/11/52/09/1029115209.db2.gz NQVKNLOIUSNUGN-UHFFFAOYSA-N 1 0 355.486 2.726 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc1 ZINC000840875559 1029901718 /nfs/dbraw/zinc/90/17/18/1029901718.db2.gz OBSXNYLVKBCKML-ONEGZZNKSA-N 1 0 352.482 2.787 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(Cl)c1 ZINC000840890268 1029907874 /nfs/dbraw/zinc/90/78/74/1029907874.db2.gz LTIFZLZFQPKJDL-LJQANCHMSA-N 1 0 373.840 2.698 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000840936243 1029933073 /nfs/dbraw/zinc/93/30/73/1029933073.db2.gz HILKVGAOHSIHJQ-QGZVFWFLSA-N 1 0 370.419 2.724 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000840936916 1029934306 /nfs/dbraw/zinc/93/43/06/1029934306.db2.gz OERKVTGIHHXXMS-HXUWFJFHSA-N 1 0 352.482 2.737 20 10 FFCDRO OC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCCOC1 ZINC000840964583 1029948910 /nfs/dbraw/zinc/94/89/10/1029948910.db2.gz YFOYWVJPKTVMKX-QUCCMNQESA-N 1 0 357.450 2.848 20 10 FFCDRO Nc1ccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000841030933 1029989382 /nfs/dbraw/zinc/98/93/82/1029989382.db2.gz PMKKNYBRZZLZKH-LJQANCHMSA-N 1 0 366.465 2.551 20 10 FFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)c(OC)c1 ZINC000841034004 1029992076 /nfs/dbraw/zinc/99/20/76/1029992076.db2.gz FDMNRNHGZCUOKV-AWEZNQCLSA-N 1 0 357.454 2.835 20 10 FFCDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841039552 1029996356 /nfs/dbraw/zinc/99/63/56/1029996356.db2.gz TYEFYXCZEWUQJL-OAHLLOKOSA-N 1 0 366.465 2.549 20 10 FFCDRO CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000841065428 1030012389 /nfs/dbraw/zinc/01/23/89/1030012389.db2.gz PBWQTBIPSHDBAF-UHFFFAOYSA-N 1 0 372.513 2.566 20 10 FFCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000841098146 1030035978 /nfs/dbraw/zinc/03/59/78/1030035978.db2.gz DMDPYVDWJJCENM-UHFFFAOYSA-N 1 0 368.481 2.587 20 10 FFCDRO O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCc2cccc(O)c2C1 ZINC001142345020 1030334664 /nfs/dbraw/zinc/33/46/64/1030334664.db2.gz YUZLHOQRXIEHQB-UHFFFAOYSA-N 1 0 351.450 2.584 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000841664365 1030391017 /nfs/dbraw/zinc/39/10/17/1030391017.db2.gz PQJIWVKYFYFRRR-MRXNPFEDSA-N 1 0 372.517 2.572 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)cc1O ZINC000841746761 1030444396 /nfs/dbraw/zinc/44/43/96/1030444396.db2.gz LDBQUEHLYWFTBI-NSPYISDASA-N 1 0 373.840 2.951 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NCc3ccc(CC[NH3+])cc3)ccc21 ZINC000841760513 1030448169 /nfs/dbraw/zinc/44/81/69/1030448169.db2.gz WJSVJXDSQVXQTI-UHFFFAOYSA-N 1 0 352.482 2.570 20 10 FFCDRO CN(c1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1)C1CCCCC1 ZINC000841760182 1030448482 /nfs/dbraw/zinc/44/84/82/1030448482.db2.gz RMNRJFMHAKFVTD-HXUWFJFHSA-N 1 0 374.529 2.715 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1F ZINC000841762364 1030449515 /nfs/dbraw/zinc/44/95/15/1030449515.db2.gz WRUCYRJKMYQUHP-FUHWJXTLSA-N 1 0 356.445 2.528 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000841799390 1030473807 /nfs/dbraw/zinc/47/38/07/1030473807.db2.gz VLGBKACTCFLDSX-UHFFFAOYSA-N 1 0 362.493 2.957 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000841917116 1030543135 /nfs/dbraw/zinc/54/31/35/1030543135.db2.gz FGXSZYVHXGYIJN-UHFFFAOYSA-N 1 0 374.529 2.716 20 10 FFCDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000841930793 1030549415 /nfs/dbraw/zinc/54/94/15/1030549415.db2.gz XNZVYGMWHQMPFB-UHFFFAOYSA-N 1 0 356.470 2.809 20 10 FFCDRO [O-]c1cc(F)c(F)cc1C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001142517219 1030566816 /nfs/dbraw/zinc/56/68/16/1030566816.db2.gz FORXLNIIGAHBLS-STQMWFEESA-N 1 0 351.422 2.691 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1Cn1cccn1 ZINC001203352127 1030677753 /nfs/dbraw/zinc/67/77/53/1030677753.db2.gz QRKGBCWGRLCNHE-IBGZPJMESA-N 1 0 362.433 2.593 20 10 FFCDRO O=C1[C@@H]2CCC[N@@H+](Cc3ccccc3O)[C@H]2C(=O)N1Cc1ccccc1 ZINC001203555714 1030764722 /nfs/dbraw/zinc/76/47/22/1030764722.db2.gz DHKATSQRQBJDBY-IEBWSBKVSA-N 1 0 350.418 2.542 20 10 FFCDRO COc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1O ZINC001203591082 1030776725 /nfs/dbraw/zinc/77/67/25/1030776725.db2.gz BIGBWEMUXXMPSD-JXFKEZNVSA-N 1 0 356.422 2.608 20 10 FFCDRO COc1cccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C(N)=O)cc3)C2)c1O ZINC001203601926 1030781528 /nfs/dbraw/zinc/78/15/28/1030781528.db2.gz RFGXFIORIOCNMW-QGZVFWFLSA-N 1 0 356.422 2.543 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203600129 1030781565 /nfs/dbraw/zinc/78/15/65/1030781565.db2.gz RRIHRFDRJRCUJY-UHFFFAOYSA-N 1 0 372.465 2.748 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1O ZINC001203607880 1030783706 /nfs/dbraw/zinc/78/37/06/1030783706.db2.gz CKIBNKIKKUWZLQ-UWJYYQICSA-N 1 0 370.449 2.998 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)c1O ZINC001203609184 1030784911 /nfs/dbraw/zinc/78/49/11/1030784911.db2.gz BZFPRWFNJXLOGX-OSYLJGHBSA-N 1 0 358.482 2.918 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)c(O)c1 ZINC001203629824 1030796411 /nfs/dbraw/zinc/79/64/11/1030796411.db2.gz MMSBCRHDRIZGIS-WIYYLYMNSA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c(O)c1 ZINC001203635043 1030797867 /nfs/dbraw/zinc/79/78/67/1030797867.db2.gz HJXWREMXEPTYTH-QGZVFWFLSA-N 1 0 358.413 2.934 20 10 FFCDRO COc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)c1 ZINC001203672685 1030817657 /nfs/dbraw/zinc/81/76/57/1030817657.db2.gz AQDVZTOFOMCMRP-PXNSSMCTSA-N 1 0 354.450 2.738 20 10 FFCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1O ZINC001203877994 1030953055 /nfs/dbraw/zinc/95/30/55/1030953055.db2.gz NEGOHJZQFUJVOB-KRWDZBQOSA-N 1 0 356.422 2.695 20 10 FFCDRO Cc1ccc(O[C@H]2C[C@H]3CN(Cc4ccc(O)c(O)c4)CC[N@@H+]3C2)cc1 ZINC001203879068 1030955574 /nfs/dbraw/zinc/95/55/74/1030955574.db2.gz LGEKPOOFPGCROJ-HKUYNNGSSA-N 1 0 354.450 2.744 20 10 FFCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)CN1c1cccc(F)c1 ZINC001203879222 1030955690 /nfs/dbraw/zinc/95/56/90/1030955690.db2.gz NHHWJJMWNROTRA-HXUWFJFHSA-N 1 0 356.397 2.866 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCC3)C2)cc1 ZINC001203933775 1030993415 /nfs/dbraw/zinc/99/34/15/1030993415.db2.gz QEIPMBAUYMFZAW-NRSPTQNISA-N 1 0 371.525 2.602 20 10 FFCDRO CCc1occc1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000797421977 1031105603 /nfs/dbraw/zinc/10/56/03/1031105603.db2.gz DVZCWPSUQYLXSV-UHFFFAOYSA-N 1 0 371.481 2.793 20 10 FFCDRO COc1ccc(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c(O)c1 ZINC000797629907 1031168116 /nfs/dbraw/zinc/16/81/16/1031168116.db2.gz XXYDHBTZXBLOKX-UHFFFAOYSA-N 1 0 373.453 2.971 20 10 FFCDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(N(C)C)c3ccccc23)O1 ZINC001204235050 1031180238 /nfs/dbraw/zinc/18/02/38/1031180238.db2.gz DWRPNMXESVMPFX-NJYVYQBISA-N 1 0 367.493 2.726 20 10 FFCDRO Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)o1 ZINC000843125483 1031193131 /nfs/dbraw/zinc/19/31/31/1031193131.db2.gz AIMKOMOKGUMSQG-GOSISDBHSA-N 1 0 353.470 2.844 20 10 FFCDRO CS(=O)(=O)c1cccc([C@H]2CCC[N@H+](Cc3ccc(O)cc3O)C2)c1 ZINC001204279998 1031207570 /nfs/dbraw/zinc/20/75/70/1031207570.db2.gz HYFLNFPNMSOYER-HNNXBMFYSA-N 1 0 361.463 2.881 20 10 FFCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC001204336460 1031235902 /nfs/dbraw/zinc/23/59/02/1031235902.db2.gz QFFNDOAPPIGPHO-UHFFFAOYSA-N 1 0 360.248 2.938 20 10 FFCDRO CNC(=O)CN1CCCC12CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2 ZINC001143105127 1031236874 /nfs/dbraw/zinc/23/68/74/1031236874.db2.gz KFGCATHVGXUFHZ-UHFFFAOYSA-N 1 0 373.541 2.866 20 10 FFCDRO Cc1ccc(C)c(OCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000843299725 1031297481 /nfs/dbraw/zinc/29/74/81/1031297481.db2.gz WMMIMPNWKHGKJA-IBGZPJMESA-N 1 0 355.482 2.955 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000843349539 1031343301 /nfs/dbraw/zinc/34/33/01/1031343301.db2.gz COCAZTJUNRTZQJ-UHFFFAOYSA-N 1 0 367.449 2.698 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000843350929 1031343539 /nfs/dbraw/zinc/34/35/39/1031343539.db2.gz XMGQDIMKCNNAAG-UHFFFAOYSA-N 1 0 364.405 2.877 20 10 FFCDRO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350583 1031344541 /nfs/dbraw/zinc/34/45/41/1031344541.db2.gz POPRCUVXTHHTAQ-ZDUSSCGKSA-N 1 0 370.428 2.774 20 10 FFCDRO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001151082278 1031852217 /nfs/dbraw/zinc/85/22/17/1031852217.db2.gz IMKDLRSFGPYLFS-TYCQWZJGSA-N 1 0 371.525 2.506 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C)n1-c1ccc(Cl)cn1 ZINC000829999323 1033424316 /nfs/dbraw/zinc/42/43/16/1033424316.db2.gz ZBVSGHAJCNONDA-QAPCUYQASA-N 1 0 372.900 2.961 20 10 FFCDRO Nc1c(C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)cccc1C(F)(F)F ZINC001219120032 1033522811 /nfs/dbraw/zinc/52/28/11/1033522811.db2.gz OTLHVHYGIVYFPE-UHFFFAOYSA-N 1 0 364.371 2.950 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H](O)C3)cc2)cc1 ZINC001219203386 1033554133 /nfs/dbraw/zinc/55/41/33/1033554133.db2.gz GZQQTLQQJORBTL-BSDDYQGESA-N 1 0 365.477 2.832 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)cc2)cc1 ZINC001219203902 1033554294 /nfs/dbraw/zinc/55/42/94/1033554294.db2.gz PVQOCXNBBGQMAI-MMHSPLKYSA-N 1 0 350.466 2.551 20 10 FFCDRO Nc1ccc(N(C(=O)[C@H]2C[NH2+]CCC2=O)c2ccc3ccccc3c2N)cc1 ZINC001219473981 1033660652 /nfs/dbraw/zinc/66/06/52/1033660652.db2.gz MJPRLBIANAMKRT-SFHVURJKSA-N 1 0 374.444 2.848 20 10 FFCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830657851 1033728772 /nfs/dbraw/zinc/72/87/72/1033728772.db2.gz LVRSBAXZMAWDDZ-JQFCIGGWSA-N 1 0 367.440 2.761 20 10 FFCDRO CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC001138216877 1033968838 /nfs/dbraw/zinc/96/88/38/1033968838.db2.gz OFHXUXUTKCOZCP-FCHUYYIVSA-N 1 0 371.525 2.889 20 10 FFCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831172263 1033976721 /nfs/dbraw/zinc/97/67/21/1033976721.db2.gz JUHYXAAYLXSNDS-IBGZPJMESA-N 1 0 356.514 2.960 20 10 FFCDRO CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1(C)C ZINC000831352884 1034048826 /nfs/dbraw/zinc/04/88/26/1034048826.db2.gz FEHCPKDJQPLGRR-OALUTQOASA-N 1 0 361.530 2.893 20 10 FFCDRO CO[C@H](C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CCC1 ZINC000831561779 1034125283 /nfs/dbraw/zinc/12/52/83/1034125283.db2.gz XCRVUYGAOBLXPY-NRFANRHFSA-N 1 0 371.525 2.650 20 10 FFCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138340356 1034169989 /nfs/dbraw/zinc/16/99/89/1034169989.db2.gz UGWKVECBUCTPQW-OAHLLOKOSA-N 1 0 358.482 2.866 20 10 FFCDRO CC(C)CC(=O)N1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339527 1034170681 /nfs/dbraw/zinc/17/06/81/1034170681.db2.gz HBIQOZRJKMLNRZ-UHFFFAOYSA-N 1 0 371.525 2.781 20 10 FFCDRO CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001277026415 1034173750 /nfs/dbraw/zinc/17/37/50/1034173750.db2.gz QTLKQJGRBWVPQD-DYVFJYSZSA-N 1 0 362.445 2.536 20 10 FFCDRO Cc1cc(F)cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1O ZINC001277027040 1034174713 /nfs/dbraw/zinc/17/47/13/1034174713.db2.gz XWGAYIWJAMRIBV-HXUWFJFHSA-N 1 0 364.461 2.547 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])c3ccccc3C)C2)cc1 ZINC000831748551 1034255396 /nfs/dbraw/zinc/25/53/96/1034255396.db2.gz GGEHEMSYSXZCQN-OXQOHEQNSA-N 1 0 353.466 2.646 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000831748798 1034255604 /nfs/dbraw/zinc/25/56/04/1034255604.db2.gz NRHSLRZQAZWXAT-OOKSDGMUSA-N 1 0 357.498 2.558 20 10 FFCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1 ZINC001277057349 1034328252 /nfs/dbraw/zinc/32/82/52/1034328252.db2.gz XZCLAPQSSDXGTG-OAQYLSRUSA-N 1 0 358.482 2.655 20 10 FFCDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497545 1034334422 /nfs/dbraw/zinc/33/44/22/1034334422.db2.gz IVCAVEKPUQSBBZ-NRFANRHFSA-N 1 0 357.498 2.500 20 10 FFCDRO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138499139 1034339276 /nfs/dbraw/zinc/33/92/76/1034339276.db2.gz ZMJYGWNHFVUDLW-QFIPXVFZSA-N 1 0 373.541 2.598 20 10 FFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138501265 1034342398 /nfs/dbraw/zinc/34/23/98/1034342398.db2.gz NFHZXUIKMHZZNH-PKOBYXMFSA-N 1 0 360.498 2.934 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000832266100 1034686208 /nfs/dbraw/zinc/68/62/08/1034686208.db2.gz CUKXLUUFBVKXRV-GOSISDBHSA-N 1 0 355.413 2.997 20 10 FFCDRO CC(C)Cn1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1C1CC1 ZINC000832266780 1034688181 /nfs/dbraw/zinc/68/81/81/1034688181.db2.gz IMYSVSJBGSPGGO-IBGZPJMESA-N 1 0 369.513 2.912 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000832266812 1034688627 /nfs/dbraw/zinc/68/86/27/1034688627.db2.gz JBJUCKTYFMTHCE-GOSISDBHSA-N 1 0 370.453 2.755 20 10 FFCDRO Cc1nc(-c2c[nH]c(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)c2)cs1 ZINC000832281040 1034699363 /nfs/dbraw/zinc/69/93/63/1034699363.db2.gz RGAJKVFFGXZEOD-MRXNPFEDSA-N 1 0 369.494 2.942 20 10 FFCDRO COc1ccc(OCCCC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832283727 1034700808 /nfs/dbraw/zinc/70/08/08/1034700808.db2.gz APJUWRAVMABNJD-FQEVSTJZSA-N 1 0 371.481 2.736 20 10 FFCDRO COc1ccc(/C=C/C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000832281654 1034701060 /nfs/dbraw/zinc/70/10/60/1034701060.db2.gz VHZDQEAXSOHJAJ-VQANOXKBSA-N 1 0 369.465 2.599 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000832292963 1034705578 /nfs/dbraw/zinc/70/55/78/1034705578.db2.gz OAYBCTYJEBIJAB-KRWDZBQOSA-N 1 0 363.408 2.713 20 10 FFCDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1OC ZINC001139106906 1034943322 /nfs/dbraw/zinc/94/33/22/1034943322.db2.gz RYYLRGKICUPSPU-UHFFFAOYSA-N 1 0 357.454 2.567 20 10 FFCDRO Cc1cc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3COC[C@H]32)ccc1N(C)C ZINC001139670800 1035193281 /nfs/dbraw/zinc/19/32/81/1035193281.db2.gz ADUQROPLYURJTL-KSEOMHKRSA-N 1 0 367.493 2.872 20 10 FFCDRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140054869 1035324344 /nfs/dbraw/zinc/32/43/44/1035324344.db2.gz ZASOTMPKJBHFEN-PXNSSMCTSA-N 1 0 372.444 2.581 20 10 FFCDRO CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055655 1035325298 /nfs/dbraw/zinc/32/52/98/1035325298.db2.gz OFFBLUMVZWBULJ-KRWDZBQOSA-N 1 0 364.461 2.628 20 10 FFCDRO CN(C)C1=NOC2(C1)CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140099683 1035342025 /nfs/dbraw/zinc/34/20/25/1035342025.db2.gz PYKKVXCXJUDRSD-UHFFFAOYSA-N 1 0 368.275 2.785 20 10 FFCDRO COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1c(C)ccc(C)c1O ZINC001140179533 1035369835 /nfs/dbraw/zinc/36/98/35/1035369835.db2.gz GFFPOFIRJJPJKX-GOSISDBHSA-N 1 0 356.470 2.756 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)c1O ZINC001140179072 1035370186 /nfs/dbraw/zinc/37/01/86/1035370186.db2.gz GKCGZKDVNNNYOK-OAQYLSRUSA-N 1 0 366.465 2.818 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C3(COC3)C2)c1O ZINC001140185466 1035372151 /nfs/dbraw/zinc/37/21/51/1035372151.db2.gz WGKGTVFFOFIROU-INIZCTEOSA-N 1 0 362.470 2.735 20 10 FFCDRO O=C(C1CCCCC1)N1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834581677 1035409485 /nfs/dbraw/zinc/40/94/85/1035409485.db2.gz HZKOLCCWMNZTEN-LJQANCHMSA-N 1 0 371.525 2.694 20 10 FFCDRO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140287058 1035419606 /nfs/dbraw/zinc/41/96/06/1035419606.db2.gz GTLCCIDAULAFOF-UHFFFAOYSA-N 1 0 373.541 2.869 20 10 FFCDRO COc1cc2c(cn1)CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140288198 1035420078 /nfs/dbraw/zinc/42/00/78/1035420078.db2.gz KKEIFSRHOVLQPI-UHFFFAOYSA-N 1 0 353.466 2.610 20 10 FFCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CCOc1ccccc1 ZINC000834669390 1035427034 /nfs/dbraw/zinc/42/70/34/1035427034.db2.gz XLJOTAKDENCCTA-SJLPKXTDSA-N 1 0 352.434 2.649 20 10 FFCDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2=O)c1 ZINC000834676351 1035427702 /nfs/dbraw/zinc/42/77/02/1035427702.db2.gz SAWXNWMSAPHRCD-QZTJIDSGSA-N 1 0 368.433 2.792 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccncn4)C3)C2)cc1 ZINC001140343149 1035446225 /nfs/dbraw/zinc/44/62/25/1035446225.db2.gz AHCLBMIUDGUMNF-OAQYLSRUSA-N 1 0 368.481 2.604 20 10 FFCDRO Oc1cc(Cl)ccc1CN1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001140467122 1035486384 /nfs/dbraw/zinc/48/63/84/1035486384.db2.gz MDFDUXJESNMZJY-RBUKOAKNSA-N 1 0 373.884 2.916 20 10 FFCDRO COc1cccc(C(=O)NCC[NH2+]C/C=C\c2ccc(N(C)C)cc2)c1 ZINC000835038742 1035491605 /nfs/dbraw/zinc/49/16/05/1035491605.db2.gz YNCBQALJMYOOJB-WAYWQWQTSA-N 1 0 353.466 2.794 20 10 FFCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCNC(=O)c2cccc(O)c2)cc1 ZINC000835037123 1035491656 /nfs/dbraw/zinc/49/16/56/1035491656.db2.gz OWLYOBPKBYGGIJ-GQCTYLIASA-N 1 0 353.466 2.881 20 10 FFCDRO Clc1cc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)ccc1N1CCOCC1 ZINC001232202192 1035497746 /nfs/dbraw/zinc/49/77/46/1035497746.db2.gz TWFYMQWZJHTUIQ-MRXNPFEDSA-N 1 0 374.872 2.620 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]21 ZINC001232257718 1035527890 /nfs/dbraw/zinc/52/78/90/1035527890.db2.gz IMXMOSRIRFQUPR-QHBPRCKVSA-N 1 0 354.834 2.706 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC001140510449 1035538769 /nfs/dbraw/zinc/53/87/69/1035538769.db2.gz PUILLQDPBSGXHM-LJQANCHMSA-N 1 0 355.482 2.671 20 10 FFCDRO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001277223706 1035629454 /nfs/dbraw/zinc/62/94/54/1035629454.db2.gz SVXSTXSYXNREEF-HNNXBMFYSA-N 1 0 354.450 2.757 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c2ccccc2n1C ZINC001232403071 1035650910 /nfs/dbraw/zinc/65/09/10/1035650910.db2.gz UJEXTMDNPOHLPI-HNNXBMFYSA-N 1 0 356.466 2.949 20 10 FFCDRO COC(=O)c1c(C[N@H+](CCO)Cc2ccccc2)c2ccccc2n1C ZINC001232401249 1035651190 /nfs/dbraw/zinc/65/11/90/1035651190.db2.gz JMZXGHJHTSGPND-UHFFFAOYSA-N 1 0 352.434 2.959 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cnc(C)[nH]4)C3)C2)cc1 ZINC001232460596 1035707685 /nfs/dbraw/zinc/70/76/85/1035707685.db2.gz WIVQEVXSBDZPHM-OAQYLSRUSA-N 1 0 370.497 2.846 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)c1 ZINC001140621990 1035749561 /nfs/dbraw/zinc/74/95/61/1035749561.db2.gz UBNHUQYZPZXBHA-NHCUHLMSSA-N 1 0 367.493 2.879 20 10 FFCDRO C[N@@H+]1CC[C@@H](Oc2cc(O)cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228186014 1035980890 /nfs/dbraw/zinc/98/08/90/1035980890.db2.gz NAJDDRYHIOSWSQ-DYVFJYSZSA-N 1 0 371.389 2.593 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(CCO)cc3)CC2)c(OC)c1 ZINC001232781122 1036024692 /nfs/dbraw/zinc/02/46/92/1036024692.db2.gz UOIVOAJFSIIKJK-UHFFFAOYSA-N 1 0 356.466 2.561 20 10 FFCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c1O ZINC001140744051 1036033594 /nfs/dbraw/zinc/03/35/94/1036033594.db2.gz JJCKUOPRCWGFIX-QRFRQXIXSA-N 1 0 356.422 2.612 20 10 FFCDRO Cc1c(O)ccc(CN2CCc3onc(COc4ccccn4)c3C2)c1O ZINC001140748930 1036047240 /nfs/dbraw/zinc/04/72/40/1036047240.db2.gz VABUKIQJPZBONC-UHFFFAOYSA-N 1 0 367.405 2.927 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3C)C2)c(O)c1 ZINC001232837678 1036091730 /nfs/dbraw/zinc/09/17/30/1036091730.db2.gz LKTPPUBJAIWCCC-UHFFFAOYSA-N 1 0 370.497 2.677 20 10 FFCDRO Oc1cc(I)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001232974069 1036206106 /nfs/dbraw/zinc/20/61/06/1036206106.db2.gz HQTQOBZSNDQRAU-IUODEOHRSA-N 1 0 373.234 2.998 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CC(=O)N(C3CCCC3)C2=O)C1 ZINC001277318451 1036232599 /nfs/dbraw/zinc/23/25/99/1036232599.db2.gz RHECJUKQTQLPDE-NRFANRHFSA-N 1 0 356.466 2.984 20 10 FFCDRO CN(C[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1)C(=O)OC(C)(C)C ZINC001233010029 1036244290 /nfs/dbraw/zinc/24/42/90/1036244290.db2.gz ICSGRFRTZVVGTM-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO [O-]c1cc(Br)cc(F)c1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001233033870 1036276356 /nfs/dbraw/zinc/27/63/56/1036276356.db2.gz VNWXTOQSZYPVKH-LLVKDONJSA-N 1 0 368.206 2.737 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)c(O)c1 ZINC001140852100 1036285271 /nfs/dbraw/zinc/28/52/71/1036285271.db2.gz BYMLXUYRVXZXAL-NNZMDNLPSA-N 1 0 371.525 2.975 20 10 FFCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)cc2O)CCS1 ZINC001140857315 1036294705 /nfs/dbraw/zinc/29/47/05/1036294705.db2.gz ORAJKILYHFFLPW-KRWDZBQOSA-N 1 0 352.500 2.719 20 10 FFCDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001233111480 1036354692 /nfs/dbraw/zinc/35/46/92/1036354692.db2.gz PPJKUCFSBDKEHD-CQSZACIVSA-N 1 0 364.243 2.906 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)cc1Br ZINC001233135360 1036386213 /nfs/dbraw/zinc/38/62/13/1036386213.db2.gz QWOGCQQOTXDUAR-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO CN(C)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC001140925709 1036464340 /nfs/dbraw/zinc/46/43/40/1036464340.db2.gz VDBFWEFHRVGTFJ-UHFFFAOYSA-N 1 0 350.938 2.619 20 10 FFCDRO COCCOc1ccc(N2CC[NH+](Cc3cccc4c3CCO4)CC2)cc1 ZINC001233277786 1036485985 /nfs/dbraw/zinc/48/59/85/1036485985.db2.gz QUOWTECCUWNMQJ-UHFFFAOYSA-N 1 0 368.477 2.969 20 10 FFCDRO CCN1CCC2(CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)C1=O ZINC001233290503 1036494964 /nfs/dbraw/zinc/49/49/64/1036494964.db2.gz GIMHRMKLXLXLEK-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])ccc(F)c2F)n1 ZINC001233333409 1036538465 /nfs/dbraw/zinc/53/84/65/1036538465.db2.gz URWRUSPLPQCVPT-DLBZAZTESA-N 1 0 373.403 2.749 20 10 FFCDRO Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c(O)c1 ZINC001140950449 1036548562 /nfs/dbraw/zinc/54/85/62/1036548562.db2.gz UMDPXBRCVNOJBU-KRWDZBQOSA-N 1 0 358.482 2.740 20 10 FFCDRO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1ccc(C)cc1O ZINC001140954456 1036561401 /nfs/dbraw/zinc/56/14/01/1036561401.db2.gz SFXWKJFKFATPNU-RDJZCZTQSA-N 1 0 350.459 2.767 20 10 FFCDRO Oc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001233453498 1036633441 /nfs/dbraw/zinc/63/34/41/1036633441.db2.gz IWJSJJCWFYIHFH-IYBDPMFKSA-N 1 0 356.388 2.706 20 10 FFCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1NC(=O)OC(C)(C)C ZINC001233482968 1036650959 /nfs/dbraw/zinc/65/09/59/1036650959.db2.gz JFQLYBPMBXHYFN-DGCLKSJQSA-N 1 0 352.431 2.539 20 10 FFCDRO COC(=O)c1ccc(C2CC[NH+](Cc3cc(O)c(O)cc3O)CC2)cc1 ZINC001233485556 1036653189 /nfs/dbraw/zinc/65/31/89/1036653189.db2.gz AUYQYGJWGJKOEM-UHFFFAOYSA-N 1 0 357.406 2.970 20 10 FFCDRO O=C1Nc2ccccc2CN1C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485414 1036653749 /nfs/dbraw/zinc/65/37/49/1036653749.db2.gz UYUBTXFWIYDBQX-UHFFFAOYSA-N 1 0 369.421 2.816 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233487567 1036655324 /nfs/dbraw/zinc/65/53/24/1036655324.db2.gz JRJXTMUFJUCEQQ-FPMFFAJLSA-N 1 0 364.442 2.539 20 10 FFCDRO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001233486345 1036655915 /nfs/dbraw/zinc/65/59/15/1036655915.db2.gz JNDUTTMYOUUJOU-ZDUSSCGKSA-N 1 0 366.458 2.882 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487777 1036656229 /nfs/dbraw/zinc/65/62/29/1036656229.db2.gz RPQRUWOTONQMOX-LJQANCHMSA-N 1 0 366.458 2.930 20 10 FFCDRO COC[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)Cc2cn(C)nc21 ZINC001233736896 1036739217 /nfs/dbraw/zinc/73/92/17/1036739217.db2.gz SNYXYCHOBZLJQQ-CYBMUJFWSA-N 1 0 371.359 2.770 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)NCCCC[N@H+](C)C3CC3)CC2)cc1 ZINC000836681570 1036750972 /nfs/dbraw/zinc/75/09/72/1036750972.db2.gz FTENSYMAQWQFCF-UHFFFAOYSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001141026341 1036755059 /nfs/dbraw/zinc/75/50/59/1036755059.db2.gz MPJKXVLOSICWKG-UHFFFAOYSA-N 1 0 366.458 2.852 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(OC)c1 ZINC001141026495 1036756021 /nfs/dbraw/zinc/75/60/21/1036756021.db2.gz SNGMPSWIBQHVKX-UHFFFAOYSA-N 1 0 354.447 2.756 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)ncn1 ZINC001233776435 1036759179 /nfs/dbraw/zinc/75/91/79/1036759179.db2.gz SGGWNCYDJUVSEJ-UHFFFAOYSA-N 1 0 368.359 2.711 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(OC)c1 ZINC001141031780 1036774896 /nfs/dbraw/zinc/77/48/96/1036774896.db2.gz LCPKRIJOGMFYLB-UHFFFAOYSA-N 1 0 354.447 2.708 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@]3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001277827623 1036892861 /nfs/dbraw/zinc/89/28/61/1036892861.db2.gz WBRJXDCLNAHMGS-NRFANRHFSA-N 1 0 358.482 2.701 20 10 FFCDRO CCc1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)c(O)c1 ZINC001277830201 1036910875 /nfs/dbraw/zinc/91/08/75/1036910875.db2.gz NBLBLEPEFIXNIE-HXUWFJFHSA-N 1 0 355.438 2.710 20 10 FFCDRO O=C1NCCCC12CC[NH+](Cc1cc3c4c(c1)CCCN4CCC3)CC2 ZINC001141076062 1036924824 /nfs/dbraw/zinc/92/48/24/1036924824.db2.gz LFBXDNBSQADHEL-UHFFFAOYSA-N 1 0 353.510 2.878 20 10 FFCDRO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077459 1036926583 /nfs/dbraw/zinc/92/65/83/1036926583.db2.gz REVBSIKONFSLNW-UHFFFAOYSA-N 1 0 365.521 2.972 20 10 FFCDRO CCCCN1C(=O)COCC12CN(Cc1cc(Cl)cc(C)c1O)C2 ZINC001277437627 1037023438 /nfs/dbraw/zinc/02/34/38/1037023438.db2.gz VPHNOIIPHBSDSS-UHFFFAOYSA-N 1 0 352.862 2.567 20 10 FFCDRO CCN1CCO[C@@H]2C[N@H+](Cc3c(O)ccc4ccc(OC)cc43)C[C@@H]2C1 ZINC001234545413 1037079902 /nfs/dbraw/zinc/07/99/02/1037079902.db2.gz QURVGRJXVWAUHN-HRAATJIYSA-N 1 0 356.466 2.707 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc2ccc(OC)cc21 ZINC001234562430 1037086658 /nfs/dbraw/zinc/08/66/58/1037086658.db2.gz NJKIWAJVUINEAP-PHZGNYQRSA-N 1 0 371.433 2.706 20 10 FFCDRO COc1ccc2ccc(O)c(C[NH+]3CCN(c4cncnc4)CC3)c2c1 ZINC001234562374 1037087365 /nfs/dbraw/zinc/08/73/65/1037087365.db2.gz LURHJFOTJHHVIB-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H](N4CCOCC4)[C@@H](F)C3)c2c1 ZINC001234577654 1037097621 /nfs/dbraw/zinc/09/76/21/1037097621.db2.gz GXCLZNXWWLANBT-VQTJNVASSA-N 1 0 374.456 2.799 20 10 FFCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)Cn3c(C)ncc3[N+](=O)[O-])cc2)CC1 ZINC001234657981 1037127085 /nfs/dbraw/zinc/12/70/85/1037127085.db2.gz PQDZGWMQJSEPEA-HNNXBMFYSA-N 1 0 373.457 2.709 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCN3CC[NH2+]C[C@@H]3C2)c(O)c1 ZINC001234980502 1037278278 /nfs/dbraw/zinc/27/82/78/1037278278.db2.gz SKIYIOUXLGTOHO-OAQYLSRUSA-N 1 0 374.573 2.888 20 10 FFCDRO CCOC(=O)c1c(CN2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c2ccccc2n1C ZINC001235403344 1037528868 /nfs/dbraw/zinc/52/88/68/1037528868.db2.gz LCUSWPPTSOOPBS-RXVVDRJESA-N 1 0 373.472 2.879 20 10 FFCDRO CO[C@@H]1CC[N@H+](Cc2cccc(C)c2O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001231591820 1037712707 /nfs/dbraw/zinc/71/27/07/1037712707.db2.gz HXNOXCLRLSRERB-PWRODBHTSA-N 1 0 367.493 2.817 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(O)cc1O ZINC001231633349 1037752495 /nfs/dbraw/zinc/75/24/95/1037752495.db2.gz MVLWKOHIUIISNY-GXTWGEPZSA-N 1 0 364.442 2.548 20 10 FFCDRO COCCCN(Cc1c2ccccc2n(C)c1C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001235806304 1037755150 /nfs/dbraw/zinc/75/51/50/1037755150.db2.gz NDZNFCRUTASHPZ-INIZCTEOSA-N 1 0 373.497 2.555 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC001207850738 1037784749 /nfs/dbraw/zinc/78/47/49/1037784749.db2.gz QBRSIKACHCQXMO-SFTDATJTSA-N 1 0 360.498 2.793 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)c(O)c1 ZINC001231844671 1037942789 /nfs/dbraw/zinc/94/27/89/1037942789.db2.gz LWLHOZSJVZAEDI-UHFFFAOYSA-N 1 0 351.454 2.509 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001231851825 1037949430 /nfs/dbraw/zinc/94/94/30/1037949430.db2.gz NFUWPZCRWGVEOY-MSOLQXFVSA-N 1 0 351.450 2.929 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001231853614 1037952304 /nfs/dbraw/zinc/95/23/04/1037952304.db2.gz YHXYOPVSCZDKDZ-QFIPXVFZSA-N 1 0 365.477 2.881 20 10 FFCDRO O=C(N[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)[C@@H]2COC[C@H]12)C1CCC1 ZINC001231880037 1037974205 /nfs/dbraw/zinc/97/42/05/1037974205.db2.gz BCWBYRJTLVAGCD-VAMGGRTRSA-N 1 0 366.461 2.661 20 10 FFCDRO CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc3ccccc3c2O)O1 ZINC001231881514 1037975680 /nfs/dbraw/zinc/97/56/80/1037975680.db2.gz XDCNIDXHYKKIFZ-QRVBRYPASA-N 1 0 354.450 2.802 20 10 FFCDRO COc1cc(CN2CCC[C@H]([NH2+]C3CC3)C2)c(O)cc1Br ZINC001236222243 1037994040 /nfs/dbraw/zinc/99/40/40/1037994040.db2.gz LCGDYZNALNZACG-ZDUSSCGKSA-N 1 0 355.276 2.880 20 10 FFCDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231909818 1038003053 /nfs/dbraw/zinc/00/30/53/1038003053.db2.gz QCCGGTCUHNXZJD-STQMWFEESA-N 1 0 356.850 2.506 20 10 FFCDRO [O-]c1c(Cl)cccc1C[N@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001231911962 1038004856 /nfs/dbraw/zinc/00/48/56/1038004856.db2.gz UNNGYAOENGMREA-UHFFFAOYSA-N 1 0 357.845 2.545 20 10 FFCDRO COc1cc(CN2CCCC3(C2)OCCO3)c(O)cc1Br ZINC001236749280 1038232931 /nfs/dbraw/zinc/23/29/31/1038232931.db2.gz AWNPORJCLCHERP-UHFFFAOYSA-N 1 0 358.232 2.502 20 10 FFCDRO COc1cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(O)cc1Br ZINC001236749779 1038236323 /nfs/dbraw/zinc/23/63/23/1038236323.db2.gz FGEIYHPWKKQKJZ-CYBMUJFWSA-N 1 0 355.276 2.832 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCCN3C(C)=O)C2)cc1OC ZINC001236753789 1038241549 /nfs/dbraw/zinc/24/15/49/1038241549.db2.gz IFGKUZXNAAFYOZ-FQEVSTJZSA-N 1 0 362.470 2.776 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)cc1OC ZINC001236755624 1038242231 /nfs/dbraw/zinc/24/22/31/1038242231.db2.gz RQWSNEZISUMZGX-ZFWWWQNUSA-N 1 0 374.462 2.566 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)cc1OC ZINC001236757607 1038245156 /nfs/dbraw/zinc/24/51/56/1038245156.db2.gz MVQIGUSXWACIIU-SFHVURJKSA-N 1 0 354.450 2.824 20 10 FFCDRO O=C1CCC2(CC[NH+](Cc3cc(O)c(Br)cc3O)CC2)O1 ZINC001236771342 1038254186 /nfs/dbraw/zinc/25/41/86/1038254186.db2.gz PFRNOFIXZZRQEP-UHFFFAOYSA-N 1 0 356.216 2.532 20 10 FFCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(OCc3ccccc3)ccc1O)C2 ZINC001236778203 1038263053 /nfs/dbraw/zinc/26/30/53/1038263053.db2.gz CMURRIFCYFSGJV-NRFANRHFSA-N 1 0 352.434 2.683 20 10 FFCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1O ZINC001236780115 1038264022 /nfs/dbraw/zinc/26/40/22/1038264022.db2.gz YDNDXKPCDLOXPM-RTWAWAEBSA-N 1 0 357.450 2.536 20 10 FFCDRO CCc1ccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c(O)c1 ZINC001236786092 1038265466 /nfs/dbraw/zinc/26/54/66/1038265466.db2.gz DAPQEABHPQIHOI-LJQANCHMSA-N 1 0 365.477 2.988 20 10 FFCDRO CCc1ccc(CN2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001236786060 1038265883 /nfs/dbraw/zinc/26/58/83/1038265883.db2.gz CQEDKBCTEFJIQG-NHCUHLMSSA-N 1 0 367.493 2.825 20 10 FFCDRO CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CCC4)[C@H]3C2)c(O)c1 ZINC001236788036 1038269149 /nfs/dbraw/zinc/26/91/49/1038269149.db2.gz PZACIISETBICAA-SFHLNBCPSA-N 1 0 372.509 2.850 20 10 FFCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(OCc4ccccc4)ccc3O)C[C@H]12 ZINC001236789511 1038270674 /nfs/dbraw/zinc/27/06/74/1038270674.db2.gz QFHADVIDTCIANA-LPHOPBHVSA-N 1 0 352.434 2.539 20 10 FFCDRO COc1cc(C)c(C[NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)c(O)c1 ZINC001236815884 1038288758 /nfs/dbraw/zinc/28/87/58/1038288758.db2.gz PGJKSNCFKFXGHE-UHFFFAOYSA-N 1 0 358.482 2.934 20 10 FFCDRO Oc1cc2ccccc2cc1C[N@@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001236833110 1038294209 /nfs/dbraw/zinc/29/42/09/1038294209.db2.gz SQWFSXOEVCCWNY-UHFFFAOYSA-N 1 0 374.448 2.788 20 10 FFCDRO Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CC[NH+](C)CC3)cc2F)no1 ZINC001236937408 1038367343 /nfs/dbraw/zinc/36/73/43/1038367343.db2.gz GRRLJMQWRXMCPG-IBGZPJMESA-N 1 0 373.476 2.996 20 10 FFCDRO CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943322 1038370932 /nfs/dbraw/zinc/37/09/32/1038370932.db2.gz QYLMNOZXRCUSEV-KXBFYZLASA-N 1 0 365.493 2.597 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@H]3CCN(c4ccc(C)nn4)C[C@H]3C2)c(O)c1 ZINC001237049401 1038423341 /nfs/dbraw/zinc/42/33/41/1038423341.db2.gz FAYIFWXRBDLSJH-SJLPKXTDSA-N 1 0 368.481 2.848 20 10 FFCDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1ccc(N(C)C)c3ccccc13)CC2 ZINC001237062582 1038430236 /nfs/dbraw/zinc/43/02/36/1038430236.db2.gz NMDDORURLUWCRF-UNMCSNQZSA-N 1 0 367.493 2.633 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(Br)c1 ZINC001237066894 1038431827 /nfs/dbraw/zinc/43/18/27/1038431827.db2.gz ATFWCHYUTFJWQA-NSHDSACASA-N 1 0 367.247 2.592 20 10 FFCDRO CC1=NC2(CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)C(=O)N1C ZINC001237125921 1038450268 /nfs/dbraw/zinc/45/02/68/1038450268.db2.gz SRHRLOPESRRMBN-UHFFFAOYSA-N 1 0 371.359 2.516 20 10 FFCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3c(O)cccc3OC(F)(F)F)CC[C@@H]21 ZINC001237126145 1038451946 /nfs/dbraw/zinc/45/19/46/1038451946.db2.gz VSFLJRJEHDBMLO-YPMHNXCESA-N 1 0 358.360 2.734 20 10 FFCDRO COCCOc1ccc(N2CC[NH+]([C@H](C)Cc3ccccn3)CC2)cc1 ZINC001256427025 1038510025 /nfs/dbraw/zinc/51/00/25/1038510025.db2.gz UPUDOOUFUBEZNC-GOSISDBHSA-N 1 0 355.482 2.860 20 10 FFCDRO C[N@H+](CCOC(=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC001209046060 1038648632 /nfs/dbraw/zinc/64/86/32/1038648632.db2.gz XLMYKUPVFSYMGR-UHFFFAOYSA-N 1 0 354.450 2.812 20 10 FFCDRO Cc1cc(C)c(C[NH2+]CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC001250952437 1038849021 /nfs/dbraw/zinc/84/90/21/1038849021.db2.gz DLXVXVFFCZONIT-UHFFFAOYSA-N 1 0 364.486 2.861 20 10 FFCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@H]1C(=O)OC ZINC001257718156 1038940195 /nfs/dbraw/zinc/94/01/95/1038940195.db2.gz KEGVORLKFXNILP-QXAKKESOSA-N 1 0 374.481 2.507 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cn(C)c4ncccc34)CC2)c(OC)c1 ZINC001209752552 1039188984 /nfs/dbraw/zinc/18/89/84/1039188984.db2.gz JSNKRQRNYUGROS-UHFFFAOYSA-N 1 0 366.465 2.913 20 10 FFCDRO COc1ccccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001537478064 1070193137 /nfs/dbraw/zinc/19/31/37/1070193137.db2.gz UBNMHOXLMGWHMM-IBGZPJMESA-N 1 0 355.482 2.723 20 10 FFCDRO CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)CCN1 ZINC001246517586 1039381543 /nfs/dbraw/zinc/38/15/43/1039381543.db2.gz ALIZFYBSOKBLRH-ALKREAHSSA-N 1 0 360.498 2.906 20 10 FFCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)c(OC)c1 ZINC001246946833 1039544148 /nfs/dbraw/zinc/54/41/48/1039544148.db2.gz HZGUIAUDJHTPCS-OXJNMPFZSA-N 1 0 361.530 2.993 20 10 FFCDRO CCCCOC[C@@H](O)CNc1ccccc1OCC1CC[NH+](C)CC1 ZINC001252524028 1039580485 /nfs/dbraw/zinc/58/04/85/1039580485.db2.gz LSYCWJUXPRJIRC-SFHVURJKSA-N 1 0 350.503 2.997 20 10 FFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001278490375 1039848569 /nfs/dbraw/zinc/84/85/69/1039848569.db2.gz DTYYNEDVEVTNSX-UHFFFAOYSA-N 1 0 354.878 2.564 20 10 FFCDRO Cc1cc(C)cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC001259528599 1040094403 /nfs/dbraw/zinc/09/44/03/1040094403.db2.gz LXSLEFKGPOWEPZ-UHFFFAOYSA-N 1 0 374.506 2.952 20 10 FFCDRO Cc1ccc2c(c1NC[C@H](O)C[NH2+]C(C)(C)C)C(=O)c1ccccc1C2=O ZINC001253400056 1040152858 /nfs/dbraw/zinc/15/28/58/1040152858.db2.gz VYEFNWLYVLNLFD-AWEZNQCLSA-N 1 0 366.461 2.931 20 10 FFCDRO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C[C@@H]1C ZINC001249217871 1040632984 /nfs/dbraw/zinc/63/29/84/1040632984.db2.gz UAPFLXGSYBFSIP-GOEBONIOSA-N 1 0 363.454 2.519 20 10 FFCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2Cc3ccc(Br)cc3C2)cc1O ZINC001254259334 1040647885 /nfs/dbraw/zinc/64/78/85/1040647885.db2.gz DJXIAFVOMXGOQN-RHSMWYFYSA-N 1 0 364.239 2.651 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccc(C3OCCO3)cc2)no1)c1ccccc1O ZINC001249339102 1040690638 /nfs/dbraw/zinc/69/06/38/1040690638.db2.gz IZFVWVAWSFQZSD-OAHLLOKOSA-N 1 0 353.378 2.730 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC001254380121 1040691118 /nfs/dbraw/zinc/69/11/18/1040691118.db2.gz JWJDEHHANIUZMN-CTNGQTDRSA-N 1 0 360.498 2.793 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(CCOCCOCC[NH3+])n2)cc1 ZINC001249359657 1040699327 /nfs/dbraw/zinc/69/93/27/1040699327.db2.gz MRPJQQLZQCRJQJ-UHFFFAOYSA-N 1 0 370.453 2.679 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@]23CCN(C2CCCC2)C3=O)c(O)cc1O ZINC001276704881 1040874276 /nfs/dbraw/zinc/87/42/76/1040874276.db2.gz JIRXOGMELFCXPV-FQEVSTJZSA-N 1 0 360.454 2.616 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCCc3ccsc3)cc2)CC1 ZINC001254716920 1040906170 /nfs/dbraw/zinc/90/61/70/1040906170.db2.gz XEUCRFITMPCEHS-UHFFFAOYSA-N 1 0 372.538 2.932 20 10 FFCDRO Cc1cc(CN2CCC(F)(F)[C@@H](CO)C2)c(O)cc1Br ZINC001250120954 1041122836 /nfs/dbraw/zinc/12/28/36/1041122836.db2.gz WDWWDIFFYCLABD-LLVKDONJSA-N 1 0 350.203 2.913 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(C)C)c1O ZINC001261553495 1041307804 /nfs/dbraw/zinc/30/78/04/1041307804.db2.gz CDCIKFWLZLANLG-SNVBAGLBSA-N 1 0 359.264 2.586 20 10 FFCDRO CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)C1 ZINC001278605416 1041389765 /nfs/dbraw/zinc/38/97/65/1041389765.db2.gz CGMVTALNVYGDND-UHFFFAOYSA-N 1 0 367.484 2.910 20 10 FFCDRO COc1ncc(C)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001215667711 1041855630 /nfs/dbraw/zinc/85/56/30/1041855630.db2.gz VIVTXAVCRHCKGH-GOSISDBHSA-N 1 0 371.485 2.889 20 10 FFCDRO CCn1c(C2SC=CC2=O)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001263011246 1042031057 /nfs/dbraw/zinc/03/10/57/1042031057.db2.gz WFXNYCYJZMFOPS-MELADBBJSA-N 1 0 361.515 2.899 20 10 FFCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001263160700 1042140906 /nfs/dbraw/zinc/14/09/06/1042140906.db2.gz KWKVSXZKFVTHIG-QMMLZNLJSA-N 1 0 371.525 2.575 20 10 FFCDRO Cc1ccc(/C=C\C(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)cn1 ZINC001263227709 1042184029 /nfs/dbraw/zinc/18/40/29/1042184029.db2.gz AFQWALPMYHDURJ-VXOKQSJXSA-N 1 0 363.461 2.912 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[C@]43C[NH3+])ccc21 ZINC001263257186 1042202997 /nfs/dbraw/zinc/20/29/97/1042202997.db2.gz OEZMLMJUCWMZAY-UWJYYQICSA-N 1 0 355.482 2.858 20 10 FFCDRO COCCOCN1C[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3Cl)[C@@H]2C1 ZINC001279333906 1043008010 /nfs/dbraw/zinc/00/80/10/1043008010.db2.gz SBZSBWDWGINIQP-QFBILLFUSA-N 1 0 367.921 2.533 20 10 FFCDRO COC1(CC(=O)N2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccc(C)cc2O)C3)CCC1 ZINC001279339034 1043011659 /nfs/dbraw/zinc/01/16/59/1043011659.db2.gz VBNZTYJEXQVYET-WMZOPIPTSA-N 1 0 358.482 2.693 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237382675 1043129332 /nfs/dbraw/zinc/12/93/32/1043129332.db2.gz MQBPPMGRBWEKBX-SMDDNHRTSA-N 1 0 355.276 2.737 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(C)ccc(C)c2O)c1 ZINC001237443666 1043168257 /nfs/dbraw/zinc/16/82/57/1043168257.db2.gz MKPGXMIDMYEKOL-LJQANCHMSA-N 1 0 354.450 2.942 20 10 FFCDRO COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c(C)cc(C)cc2O)c1 ZINC001237452494 1043174006 /nfs/dbraw/zinc/17/40/06/1043174006.db2.gz OCXOPEXLSOFNPX-LJQANCHMSA-N 1 0 354.450 2.942 20 10 FFCDRO C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001279504394 1043198292 /nfs/dbraw/zinc/19/82/92/1043198292.db2.gz HTXDSJXUIZQPIP-UHFFFAOYSA-N 1 0 371.447 2.870 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001237487462 1043199907 /nfs/dbraw/zinc/19/99/07/1043199907.db2.gz IYRQEWLGXVLBDW-UHFFFAOYSA-N 1 0 352.360 2.832 20 10 FFCDRO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)c(O)c(OC)c1 ZINC001237674763 1043303801 /nfs/dbraw/zinc/30/38/01/1043303801.db2.gz XVFCXNUEMMLWIH-QGZVFWFLSA-N 1 0 374.481 2.680 20 10 FFCDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)[C@@H](F)C2)c(O)c(OC)c1 ZINC001237678145 1043305559 /nfs/dbraw/zinc/30/55/59/1043305559.db2.gz VEFZRGWYGWBUMQ-DLBZAZTESA-N 1 0 352.450 2.808 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1Br ZINC001237679194 1043306573 /nfs/dbraw/zinc/30/65/73/1043306573.db2.gz GDRGBGRBSPXCQX-ZDUSSCGKSA-N 1 0 356.260 2.579 20 10 FFCDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)c1O ZINC001237682585 1043310125 /nfs/dbraw/zinc/31/01/25/1043310125.db2.gz BRCLSZLJKWIBBE-IBGZPJMESA-N 1 0 374.872 2.717 20 10 FFCDRO COc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(OC)cc(OC)c3O)C2)nc1 ZINC001237684832 1043310854 /nfs/dbraw/zinc/31/08/54/1043310854.db2.gz SECHWWHIUWGSJI-MRXNPFEDSA-N 1 0 374.437 2.856 20 10 FFCDRO Cc1cc(Cl)cc(C[NH+]2CCC(OCC(=O)N3CCCC3)CC2)c1O ZINC001237688705 1043314824 /nfs/dbraw/zinc/31/48/24/1043314824.db2.gz IQVPZNGBIUKORY-UHFFFAOYSA-N 1 0 366.889 2.957 20 10 FFCDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1O ZINC001237689007 1043314895 /nfs/dbraw/zinc/31/48/95/1043314895.db2.gz LRUGZECQGZMDDY-QGZVFWFLSA-N 1 0 366.889 2.861 20 10 FFCDRO C[NH+]1CCC2(C[NH+](Cc3cccc(I)c3[O-])C2)CC1 ZINC001237784205 1043356025 /nfs/dbraw/zinc/35/60/25/1043356025.db2.gz SJBPPVOYCVLZSX-UHFFFAOYSA-N 1 0 372.250 2.524 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)c1O ZINC001238062047 1043507948 /nfs/dbraw/zinc/50/79/48/1043507948.db2.gz SRSVWFRMBJSXGH-HXUWFJFHSA-N 1 0 370.428 2.649 20 10 FFCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)c1O ZINC001238062170 1043508839 /nfs/dbraw/zinc/50/88/39/1043508839.db2.gz VEHPPVVMGZRVLF-FQEVSTJZSA-N 1 0 355.413 2.864 20 10 FFCDRO COc1cc(C)nc(OC2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)n1 ZINC001238066057 1043512150 /nfs/dbraw/zinc/51/21/50/1043512150.db2.gz HLBYHKFSHGVLTF-UHFFFAOYSA-N 1 0 361.417 2.990 20 10 FFCDRO COC(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)cc1 ZINC001238071304 1043514682 /nfs/dbraw/zinc/51/46/82/1043514682.db2.gz VBJGGGMKJIHYBB-UHFFFAOYSA-N 1 0 358.413 2.949 20 10 FFCDRO O=C([C@@H]1CCC2(C1)CC[NH+](Cc1ccc(O)c(O)c1)CC2)N1CC=CC1 ZINC001279726006 1043535071 /nfs/dbraw/zinc/53/50/71/1043535071.db2.gz GKANQXOEDSEWGX-QGZVFWFLSA-N 1 0 356.466 2.879 20 10 FFCDRO COc1ccc(C[NH2+]C23CC(C(=O)N4C[C@@H](C)O[C@H](C)C4)(C2)C3)cc1C ZINC001279734251 1043553756 /nfs/dbraw/zinc/55/37/56/1043553756.db2.gz XTOMGTCJAFDFPS-AJHHTPGJSA-N 1 0 358.482 2.652 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000756380125 1043600098 /nfs/dbraw/zinc/60/00/98/1043600098.db2.gz DYXDQIQVCJQHJH-VQTJNVASSA-N 1 0 359.514 2.952 20 10 FFCDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001238415240 1043695135 /nfs/dbraw/zinc/69/51/35/1043695135.db2.gz XRFYMPLXSXWEIE-XEXOPBTESA-N 1 0 361.471 2.794 20 10 FFCDRO O=C(NCC(F)F)[C@H]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001279846465 1043766202 /nfs/dbraw/zinc/76/62/02/1043766202.db2.gz SADASIDICARLSG-ZDUSSCGKSA-N 1 0 368.424 2.861 20 10 FFCDRO O=C(C1=CC2(CC1)CC[NH+](Cc1ccc(O)cc1O)CC2)N1CC=CC1 ZINC001279847109 1043767117 /nfs/dbraw/zinc/76/71/17/1043767117.db2.gz ONOATUZHMFORJB-UHFFFAOYSA-N 1 0 354.450 2.799 20 10 FFCDRO CN(C)C(=O)[C@@H]1CCSC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001279860274 1043785762 /nfs/dbraw/zinc/78/57/62/1043785762.db2.gz QPSVJGLJNCLAMZ-SFHVURJKSA-N 1 0 359.539 2.683 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N3CC(C)([NH3+])C3)cc2)cc1 ZINC001238927374 1043952356 /nfs/dbraw/zinc/95/23/56/1043952356.db2.gz LYYAXXMKIBMBCG-QZQOTICOSA-N 1 0 373.482 2.890 20 10 FFCDRO CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]2CCCO[C@H]21)C(C)C ZINC001279970924 1044008352 /nfs/dbraw/zinc/00/83/52/1044008352.db2.gz JFAOEDRVYNLIQU-WSTZPKSXSA-N 1 0 360.498 2.876 20 10 FFCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)N2CC=CC2)c1O ZINC001279980999 1044027289 /nfs/dbraw/zinc/02/72/89/1044027289.db2.gz GHOGLINXHGOGEQ-HGKCTWBKSA-N 1 0 356.466 2.647 20 10 FFCDRO CCOc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CC=CC3)CC2)c1O ZINC001279982351 1044032259 /nfs/dbraw/zinc/03/22/59/1044032259.db2.gz XYYISQSATIEYRH-KRWDZBQOSA-N 1 0 356.466 2.791 20 10 FFCDRO O=C(NCc1c[nH]cn1)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001279982988 1044032824 /nfs/dbraw/zinc/03/28/24/1044032824.db2.gz BZKSXOINHKFZIT-INIZCTEOSA-N 1 0 374.872 2.687 20 10 FFCDRO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cc(OC)cc1OC)C(C)C ZINC001280059385 1044149734 /nfs/dbraw/zinc/14/97/34/1044149734.db2.gz VZDRSLGTOCPQPG-VLIAUNLRSA-N 1 0 362.470 2.631 20 10 FFCDRO O=C([C@H]1CCSC12C[NH+](Cc1cc(O)ccc1O)C2)N1CCCC12CC2 ZINC001280084060 1044185334 /nfs/dbraw/zinc/18/53/34/1044185334.db2.gz TZZGMJYSEQQTPA-MRXNPFEDSA-N 1 0 374.506 2.560 20 10 FFCDRO O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2)N1CCCCO1 ZINC001280099211 1044205485 /nfs/dbraw/zinc/20/54/85/1044205485.db2.gz SMQYYVWODGNHRI-PXNSSMCTSA-N 1 0 360.454 2.644 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCC[C@@H]2CCCS2)[NH+](C)C)cc1 ZINC001313085418 1044230246 /nfs/dbraw/zinc/23/02/46/1044230246.db2.gz JVXTUYOHWHFMTD-ZWKOTPCHSA-N 1 0 364.559 2.940 20 10 FFCDRO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc(S(C)(=O)=O)nc2)n1C ZINC001240804468 1044432118 /nfs/dbraw/zinc/43/21/18/1044432118.db2.gz MTVWDZHPCVWQOF-UHFFFAOYSA-N 1 0 373.434 2.524 20 10 FFCDRO CN(C)[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccco1 ZINC001318347117 1045276651 /nfs/dbraw/zinc/27/66/51/1045276651.db2.gz YIOPHLGEGRTOFM-IBGZPJMESA-N 1 0 360.477 2.563 20 10 FFCDRO COCCCNC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001319816137 1045277564 /nfs/dbraw/zinc/27/75/64/1045277564.db2.gz SJGUGTUOLVDRGW-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC001324436858 1046029025 /nfs/dbraw/zinc/02/90/25/1046029025.db2.gz OZWISBFHDWYOTI-UONOGXRCSA-N 1 0 370.291 2.827 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cncc4ccccc43)cc2)CC1 ZINC001288334764 1047448875 /nfs/dbraw/zinc/44/88/75/1047448875.db2.gz PNESSXNPVMBACF-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO Cc1ccc(F)c(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001288334500 1047449410 /nfs/dbraw/zinc/44/94/10/1047449410.db2.gz JBILPDBYLVLSPZ-UHFFFAOYSA-N 1 0 355.457 2.745 20 10 FFCDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001331521326 1047983136 /nfs/dbraw/zinc/98/31/36/1047983136.db2.gz UXPLRDGUZZZBKE-GFCCVEGCSA-N 1 0 355.429 2.987 20 10 FFCDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328086413 1048170783 /nfs/dbraw/zinc/17/07/83/1048170783.db2.gz SDVBVVKEEJTOSJ-HTAPYJJXSA-N 1 0 371.500 2.832 20 10 FFCDRO CN1CCN(c2ccc(CN3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC001332340037 1048353431 /nfs/dbraw/zinc/35/34/31/1048353431.db2.gz UYXUBOWWYRWWMT-PZJWPPBQSA-N 1 0 360.521 2.684 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001334158653 1049281978 /nfs/dbraw/zinc/28/19/78/1049281978.db2.gz ZNUKFXRCLCYFPE-ULQDDVLXSA-N 1 0 362.493 2.763 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC=CO1 ZINC001294860726 1049822309 /nfs/dbraw/zinc/82/23/09/1049822309.db2.gz XKAHOHGTWUSMSM-NVXWUHKLSA-N 1 0 350.846 2.819 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CNc4ccccc43)cc2)CC1 ZINC001341592938 1050219550 /nfs/dbraw/zinc/21/95/50/1050219550.db2.gz KYUOFRZREMGZJC-GOSISDBHSA-N 1 0 364.493 2.654 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1 ZINC001340045105 1050455293 /nfs/dbraw/zinc/45/52/93/1050455293.db2.gz PVFMJYNPYANDFX-RLLQIKCJSA-N 1 0 359.514 2.696 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2cc3c(s2)C[NH2+]CC3)cc1 ZINC001340554681 1050943485 /nfs/dbraw/zinc/94/34/85/1050943485.db2.gz GCBFJFJYYLEHEO-UHFFFAOYSA-N 1 0 359.495 2.611 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2n[nH]c3c2CCCCC3)[NH+](C)C)cc1 ZINC001304769212 1051690697 /nfs/dbraw/zinc/69/06/97/1051690697.db2.gz SXELGFWXXMQCPP-IBGZPJMESA-N 1 0 369.513 2.777 20 10 FFCDRO Cc1nc2ncnn2c(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC001307228474 1052273343 /nfs/dbraw/zinc/27/33/43/1052273343.db2.gz RNQCGNOOFVIZEW-KRWDZBQOSA-N 1 0 353.474 2.522 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)CCOCCNC(=O)OC(C)(C)C)cc1 ZINC001307992164 1052378031 /nfs/dbraw/zinc/37/80/31/1052378031.db2.gz OOTNECXWVBKDGE-UHFFFAOYSA-N 1 0 351.491 2.726 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001345426816 1052439985 /nfs/dbraw/zinc/43/99/85/1052439985.db2.gz LRCSYPFUBBQHOH-QCLGFWRNSA-N 1 0 371.525 2.922 20 10 FFCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC001345426821 1052440617 /nfs/dbraw/zinc/44/06/17/1052440617.db2.gz LRCSYPFUBBQHOH-XWDNEUNKSA-N 1 0 371.525 2.922 20 10 FFCDRO Fc1cc(C[NH2+]CCOC(F)(F)C(F)(F)F)ccc1N1CCOCC1 ZINC001308509358 1052463274 /nfs/dbraw/zinc/46/32/74/1052463274.db2.gz NNFJEYHEJGIYBT-UHFFFAOYSA-N 1 0 372.309 2.924 20 10 FFCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCC[NH2+]1 ZINC001346104705 1052749766 /nfs/dbraw/zinc/74/97/66/1052749766.db2.gz DXWVYMGFPAHTQZ-RHSMWYFYSA-N 1 0 367.440 2.905 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC001334933341 1053155927 /nfs/dbraw/zinc/15/59/27/1053155927.db2.gz HNKOQYHJPJNSKM-OAQYLSRUSA-N 1 0 367.493 2.906 20 10 FFCDRO CC[C@@H](O)C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC001335351499 1053310695 /nfs/dbraw/zinc/31/06/95/1053310695.db2.gz OHHICHWUZHXUCU-SJORKVTESA-N 1 0 351.491 2.679 20 10 FFCDRO C[N@@H+]1C[C@@H]2CN(c3nnc(C4SC=CC4=O)n3CC3CC3)C[C@]2(C)C1 ZINC001346987691 1053509103 /nfs/dbraw/zinc/50/91/03/1053509103.db2.gz HUIMUXKBADPKED-ACJLOTCBSA-N 1 0 359.499 2.510 20 10 FFCDRO Nc1ccc(CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001336811224 1054248484 /nfs/dbraw/zinc/24/84/84/1054248484.db2.gz NQMRJMKLCQNBQC-UHFFFAOYSA-N 1 0 368.481 2.743 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@H]2[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC001347980714 1054523253 /nfs/dbraw/zinc/52/32/53/1054523253.db2.gz MGKADABPMIGITH-HOJAQTOUSA-N 1 0 374.529 2.566 20 10 FFCDRO CCc1cccc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1O ZINC000848884310 1055301072 /nfs/dbraw/zinc/30/10/72/1055301072.db2.gz AUGJVKHOLUYNFD-MRXNPFEDSA-N 1 0 359.514 2.520 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c(C)o1 ZINC000848893445 1055314781 /nfs/dbraw/zinc/31/47/81/1055314781.db2.gz CUFJNUZNHPGMLG-UHFFFAOYSA-N 1 0 372.465 2.873 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1O ZINC000848898796 1055324671 /nfs/dbraw/zinc/32/46/71/1055324671.db2.gz YLAFFVFLBPOFDS-NHCUHLMSSA-N 1 0 354.494 2.927 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC2)cc1 ZINC000847286114 1055386031 /nfs/dbraw/zinc/38/60/31/1055386031.db2.gz FMYMGDQGKVLHBL-UHFFFAOYSA-N 1 0 367.493 2.762 20 10 FFCDRO CN(C)CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCCC1 ZINC001338448712 1055524214 /nfs/dbraw/zinc/52/42/14/1055524214.db2.gz PFPABICZLGHFDW-UHFFFAOYSA-N 1 0 362.537 2.884 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC001357338659 1055870097 /nfs/dbraw/zinc/87/00/97/1055870097.db2.gz UQBJGUOCPLGKBK-SESVDKBCSA-N 1 0 371.525 2.650 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C2)cc1 ZINC001353330424 1056302059 /nfs/dbraw/zinc/30/20/59/1056302059.db2.gz SJQQVJDBYWCIQM-RISCZKNCSA-N 1 0 368.346 2.812 20 10 FFCDRO COc1c(O)c(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)ccc1[N+](=O)[O-] ZINC000849352885 1056837165 /nfs/dbraw/zinc/83/71/65/1056837165.db2.gz REFBANOTPGNJOZ-MRXNPFEDSA-N 1 0 359.382 2.582 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001452022637 1059174132 /nfs/dbraw/zinc/17/41/32/1059174132.db2.gz DJHGHTNYJMJOLL-MSOLQXFVSA-N 1 0 359.514 2.758 20 10 FFCDRO Cc1cc2c[nH]nc2c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001455222647 1059729655 /nfs/dbraw/zinc/72/96/55/1059729655.db2.gz DELVQNDTUASBSA-UHFFFAOYSA-N 1 0 363.465 2.553 20 10 FFCDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](Oc4ccccn4)C3)cc2)CC1 ZINC000876777609 1061180003 /nfs/dbraw/zinc/18/00/03/1061180003.db2.gz SDPREZRMYHCZOW-FQEVSTJZSA-N 1 0 353.466 2.696 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 ZINC001461596545 1061357299 /nfs/dbraw/zinc/35/72/99/1061357299.db2.gz UGONNKCQTWDMHL-FQEVSTJZSA-N 1 0 361.530 2.896 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000765849912 1061598608 /nfs/dbraw/zinc/59/86/08/1061598608.db2.gz UPOBMECBPGYFKS-HXUWFJFHSA-N 1 0 371.437 2.895 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001463780786 1062256488 /nfs/dbraw/zinc/25/64/88/1062256488.db2.gz ZGVPOAXYFCNVJF-UHFFFAOYSA-N 1 0 354.450 2.943 20 10 FFCDRO C[C@H](CC[NH+](C)C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001464694229 1062768090 /nfs/dbraw/zinc/76/80/90/1062768090.db2.gz JIGWZLCJSGXANP-CQSZACIVSA-N 1 0 369.456 2.961 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc4ccccc4c3)cc2)CC1 ZINC001533685223 1063372481 /nfs/dbraw/zinc/37/24/81/1063372481.db2.gz XZUWWSUABYLNMA-UHFFFAOYSA-N 1 0 360.461 2.917 20 10 FFCDRO O=C(Cc1ccc(O)c(O)c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001442111487 1063502646 /nfs/dbraw/zinc/50/26/46/1063502646.db2.gz PICMNRVUPRQDHE-UHFFFAOYSA-N 1 0 354.450 2.669 20 10 FFCDRO Cc1cc(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccc1 ZINC001470848985 1064468464 /nfs/dbraw/zinc/46/84/64/1064468464.db2.gz AGDWPMJCFWHSEN-QGZVFWFLSA-N 1 0 369.509 2.721 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC(C4CCCC4)C3)cc2)CC1 ZINC001471192063 1064597578 /nfs/dbraw/zinc/59/75/78/1064597578.db2.gz VQFBTRSLLJIZKC-UHFFFAOYSA-N 1 0 356.514 2.770 20 10 FFCDRO C[C@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001471544977 1064712045 /nfs/dbraw/zinc/71/20/45/1064712045.db2.gz PVEFRFRBRSAHBZ-MAUKXSAKSA-N 1 0 362.518 2.564 20 10 FFCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1F ZINC001578426150 1078472870 /nfs/dbraw/zinc/47/28/70/1078472870.db2.gz VVMJPBFBKJGRDJ-FUHWJXTLSA-N 1 0 374.435 2.667 20 10 FFCDRO C[NH2+]CCOc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001578712792 1078521033 /nfs/dbraw/zinc/52/10/33/1078521033.db2.gz USUPAIBLXJCUSU-UHFFFAOYSA-N 1 0 353.466 2.597 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]34CCC[NH2+]C4)ccc21 ZINC001579069158 1078568431 /nfs/dbraw/zinc/56/84/31/1078568431.db2.gz XGLVFKBRMSJNDJ-OAQYLSRUSA-N 1 0 355.482 2.873 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](F)Cc3ccccc3)cc2)CC1 ZINC001583476068 1079220961 /nfs/dbraw/zinc/22/09/61/1079220961.db2.gz ROHDWDIBIGHSHZ-FQEVSTJZSA-N 1 0 355.457 2.635 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001558799631 1076078810 /nfs/dbraw/zinc/07/88/10/1076078810.db2.gz LGQZOEZJMBNZHJ-UHFFFAOYSA-N 1 0 352.398 2.643 20 10 FFCDRO CCc1nc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cs1 ZINC001560305832 1076262341 /nfs/dbraw/zinc/26/23/41/1076262341.db2.gz CYZFMACYCFFWPV-UHFFFAOYSA-N 1 0 362.518 2.929 20 10 FFCDRO CCC(CC)(CCO)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001565453294 1076731190 /nfs/dbraw/zinc/73/11/90/1076731190.db2.gz WRXMAHHJZHXKQP-SFHVURJKSA-N 1 0 364.534 2.596 20 10 FFCDRO C[NH+](C)CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F ZINC001570229125 1077192504 /nfs/dbraw/zinc/19/25/04/1077192504.db2.gz NBEWPRKRNXVYQK-YWEYNIOJSA-N 1 0 360.385 2.829 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3cnccc3n2)[NH+](C)C)cc1 ZINC001586060659 1079537865 /nfs/dbraw/zinc/53/78/65/1079537865.db2.gz JWLCLDKMLCCRQE-HXUWFJFHSA-N 1 0 363.465 2.729 20 10 FFCDRO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(O)c1 ZINC000369081615 512219455 /nfs/dbraw/zinc/21/94/55/512219455.db2.gz CCWXUZJYDIKWJI-HKUYNNGSSA-N 1 0 355.438 2.645 20 10 FFCDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000054510891 506570412 /nfs/dbraw/zinc/57/04/12/506570412.db2.gz UNBBYQBQRGSAJN-GOSISDBHSA-N 1 0 374.529 2.649 20 10 FFCDRO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571720 507047987 /nfs/dbraw/zinc/04/79/87/507047987.db2.gz JIEFTGWYFVCWQY-GOSISDBHSA-N 1 0 367.493 2.660 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000090017748 507902252 /nfs/dbraw/zinc/90/22/52/507902252.db2.gz ZZJKGZHORDOXSW-OXJNMPFZSA-N 1 0 367.497 2.867 20 10 FFCDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000109769146 507986497 /nfs/dbraw/zinc/98/64/97/507986497.db2.gz GTLWIYHYYCVHOQ-UHFFFAOYSA-N 1 0 359.382 2.770 20 10 FFCDRO O=c1[nH]ncc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Cl ZINC000091676785 508001482 /nfs/dbraw/zinc/00/14/82/508001482.db2.gz KIQUQACGJPORQG-UHFFFAOYSA-N 1 0 373.888 2.567 20 10 FFCDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1O ZINC000092002494 508031175 /nfs/dbraw/zinc/03/11/75/508031175.db2.gz GKXGZDPSSZGEOJ-UHFFFAOYSA-N 1 0 355.438 2.955 20 10 FFCDRO CC1CCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000092145358 508045929 /nfs/dbraw/zinc/04/59/29/508045929.db2.gz PBLHRFZFISZWLJ-UHFFFAOYSA-N 1 0 360.454 2.591 20 10 FFCDRO CN1CCCc2cc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc21 ZINC000075314322 508096545 /nfs/dbraw/zinc/09/65/45/508096545.db2.gz CHPWAEJAHYPREZ-YQQQUEKLSA-N 1 0 356.514 2.884 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)NCc3ccccc3)CC2)cc1 ZINC000102416437 508274785 /nfs/dbraw/zinc/27/47/85/508274785.db2.gz AKTJRGILCBMSHW-QGZVFWFLSA-N 1 0 367.493 2.959 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1OC ZINC000367226565 512396624 /nfs/dbraw/zinc/39/66/24/512396624.db2.gz NLOFHGSZMLAHDV-INIZCTEOSA-N 1 0 351.443 2.569 20 10 FFCDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119186593 508744314 /nfs/dbraw/zinc/74/43/14/508744314.db2.gz HDIREIGEZDTHLJ-RDJZCZTQSA-N 1 0 352.450 2.509 20 10 FFCDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000151592953 509049486 /nfs/dbraw/zinc/04/94/86/509049486.db2.gz SXQMSYWKLYODHM-HXUWFJFHSA-N 1 0 354.498 2.796 20 10 FFCDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000155821902 509077017 /nfs/dbraw/zinc/07/70/17/509077017.db2.gz KFAFSHWYKAJBTF-INIZCTEOSA-N 1 0 353.466 2.734 20 10 FFCDRO CCCOc1ccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c(O)c1 ZINC000121317377 509165897 /nfs/dbraw/zinc/16/58/97/509165897.db2.gz SGNUOOWWVDFDMH-AWEZNQCLSA-N 1 0 360.458 2.751 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)CCCOC)cc2F)CC1 ZINC000182727806 509396371 /nfs/dbraw/zinc/39/63/71/509396371.db2.gz WDNWAADSJYSFJX-INIZCTEOSA-N 1 0 365.493 2.647 20 10 FFCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000186090184 509518584 /nfs/dbraw/zinc/51/85/84/509518584.db2.gz SOILBSLZZUYYKY-JTQLQIEISA-N 1 0 362.289 2.630 20 10 FFCDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(cc1O)CCCC3)CC2 ZINC000186103159 509522555 /nfs/dbraw/zinc/52/25/55/509522555.db2.gz IVQJADAHPMOZFQ-BBRMVZONSA-N 1 0 356.470 2.675 20 10 FFCDRO CC(C)n1c(Sc2ncc([N+](=O)[O-])s2)nnc1[C@H]1CCC[NH2+]C1 ZINC000192457987 509526168 /nfs/dbraw/zinc/52/61/68/509526168.db2.gz FKBKFNMUFOCIHG-VIFPVBQESA-N 1 0 354.461 2.842 20 10 FFCDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC000237417611 509644219 /nfs/dbraw/zinc/64/42/19/509644219.db2.gz HKIQBNOCKGBWOT-IAGOWNOFSA-N 1 0 367.493 2.737 20 10 FFCDRO COc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000171128964 509958573 /nfs/dbraw/zinc/95/85/73/509958573.db2.gz XQTRTJDLLVHVFB-UHFFFAOYSA-N 1 0 355.843 2.618 20 10 FFCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180525581 509965658 /nfs/dbraw/zinc/96/56/58/509965658.db2.gz RQOYWTXCTSELKV-ZDUSSCGKSA-N 1 0 358.276 2.948 20 10 FFCDRO COC(=O)c1cn(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)nn1 ZINC000184075889 510118809 /nfs/dbraw/zinc/11/88/09/510118809.db2.gz YODOCSGDGNCXBK-UHFFFAOYSA-N 1 0 366.421 2.761 20 10 FFCDRO CCN(C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1)CC(F)(F)F ZINC000177639501 510173395 /nfs/dbraw/zinc/17/33/95/510173395.db2.gz PZOURBFRDWHBML-LBPRGKRZSA-N 1 0 360.376 2.827 20 10 FFCDRO COc1cc(Cl)cc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000184689648 510464515 /nfs/dbraw/zinc/46/45/15/510464515.db2.gz NRCCXKUIQWKLIU-QGZVFWFLSA-N 1 0 367.921 2.656 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)cc1 ZINC000184758272 510502872 /nfs/dbraw/zinc/50/28/72/510502872.db2.gz DYDUDGJYZNXPQR-UHFFFAOYSA-N 1 0 371.485 2.748 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)ccc1OC ZINC000275702664 510911208 /nfs/dbraw/zinc/91/12/08/510911208.db2.gz XSGHGIQICDTCNV-AZUAARDMSA-N 1 0 359.470 2.975 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000278478620 510993410 /nfs/dbraw/zinc/99/34/10/510993410.db2.gz IUDHJVFVMUGWCU-CYBMUJFWSA-N 1 0 351.428 2.763 20 10 FFCDRO COCCn1cc(C[NH2+]Cc2cc(Br)cc(C)c2O)cn1 ZINC000282500751 511002869 /nfs/dbraw/zinc/00/28/69/511002869.db2.gz NSKPBDIYGRKZCH-UHFFFAOYSA-N 1 0 354.248 2.596 20 10 FFCDRO COC(=O)/C=C/c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286510411 511027021 /nfs/dbraw/zinc/02/70/21/511027021.db2.gz XBPQGWHLXIIOHQ-UYHGJVLFSA-N 1 0 359.426 2.842 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000364723006 511043445 /nfs/dbraw/zinc/04/34/45/511043445.db2.gz MHUXLKGVEKVCJB-AWEZNQCLSA-N 1 0 365.275 2.565 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CCn2cc(Br)cn2)c1O ZINC000289832143 511116782 /nfs/dbraw/zinc/11/67/82/511116782.db2.gz UHVBBAXGPJVENR-UHFFFAOYSA-N 1 0 360.639 2.803 20 10 FFCDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)CCc1ccccc1 ZINC000282839652 511129861 /nfs/dbraw/zinc/12/98/61/511129861.db2.gz ZWMNUQDARKDVII-UHFFFAOYSA-N 1 0 353.871 2.793 20 10 FFCDRO COCCc1noc(CN(C)Cc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280145558 511352447 /nfs/dbraw/zinc/35/24/47/511352447.db2.gz FKPMJSPFFAOAMY-UHFFFAOYSA-N 1 0 372.391 2.975 20 10 FFCDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000295809537 511521896 /nfs/dbraw/zinc/52/18/96/511521896.db2.gz CRKRDYWQYWHJPE-SFHVURJKSA-N 1 0 374.506 2.997 20 10 FFCDRO CCn1ccnc1[C@@H](C)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000295877325 511542586 /nfs/dbraw/zinc/54/25/86/511542586.db2.gz HKGSNLDGIMZLCY-GOSISDBHSA-N 1 0 371.529 2.775 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000273607182 511549097 /nfs/dbraw/zinc/54/90/97/511549097.db2.gz UMZQRQSQZRCLOQ-IRXDYDNUSA-N 1 0 370.497 2.657 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000273622779 511554070 /nfs/dbraw/zinc/55/40/70/511554070.db2.gz ZPHNJDUOLRIHSZ-HNNXBMFYSA-N 1 0 372.465 2.970 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3CCO[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000296162951 511640182 /nfs/dbraw/zinc/64/01/82/511640182.db2.gz YWMXSJYFKOZQJW-LAUBAEHRSA-N 1 0 360.498 2.682 20 10 FFCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000301590988 511698186 /nfs/dbraw/zinc/69/81/86/511698186.db2.gz TWVIGDMWICYDHK-ZZQZRYSSSA-N 1 0 359.426 2.844 20 10 FFCDRO COc1ccc(N2CCN(Cc3nc(-c4cc(C)ccn4)no3)CC2)cc1 ZINC000296533227 511785363 /nfs/dbraw/zinc/78/53/63/511785363.db2.gz NKCAFBVKNRHRIM-UHFFFAOYSA-N 1 0 365.437 2.771 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000363961983 511876135 /nfs/dbraw/zinc/87/61/35/511876135.db2.gz KMIOVEWSXWCTKK-IEBWSBKVSA-N 1 0 372.513 2.544 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000284867275 511905764 /nfs/dbraw/zinc/90/57/64/511905764.db2.gz DLAGVRFSUOZHRW-KBPBESRZSA-N 1 0 360.292 2.711 20 10 FFCDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cc(Cl)ccc1O ZINC000367696909 512620096 /nfs/dbraw/zinc/62/00/96/512620096.db2.gz JQZQSELBYVVJLP-OHRKKDJYSA-N 1 0 365.905 2.780 20 10 FFCDRO COc1cc(Cl)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367830414 512680129 /nfs/dbraw/zinc/68/01/29/512680129.db2.gz BWHLYIFQAHPEBH-AWEZNQCLSA-N 1 0 361.891 2.843 20 10 FFCDRO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000368046255 512779066 /nfs/dbraw/zinc/77/90/66/512779066.db2.gz XRDBAXZRRHNTBB-UHFFFAOYSA-N 1 0 351.809 2.907 20 10 FFCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000472200186 515167717 /nfs/dbraw/zinc/16/77/17/515167717.db2.gz ZVLIGGWZITUYIZ-MRXNPFEDSA-N 1 0 372.513 2.787 20 10 FFCDRO CC(C)[C@@H](CO)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000554052465 518041953 /nfs/dbraw/zinc/04/19/53/518041953.db2.gz NVOIQFVSWPPQRW-QGZVFWFLSA-N 1 0 371.525 2.789 20 10 FFCDRO Cc1nc[nH]c1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000577931885 519327358 /nfs/dbraw/zinc/32/73/58/519327358.db2.gz VADUBGZDRSYYCZ-UHFFFAOYSA-N 1 0 365.481 2.756 20 10 FFCDRO CCc1nnc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[nH]1 ZINC000583851105 519465146 /nfs/dbraw/zinc/46/51/46/519465146.db2.gz ODDXOIVGHOSQJS-UHFFFAOYSA-N 1 0 366.469 2.727 20 10 FFCDRO COc1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000737098933 598356215 /nfs/dbraw/zinc/35/62/15/598356215.db2.gz HYTQSFKMNKQYNK-UHFFFAOYSA-N 1 0 364.453 2.634 20 10 FFCDRO Cc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826278871 609480335 /nfs/dbraw/zinc/48/03/35/609480335.db2.gz WSABDPGKXOWRDZ-UHFFFAOYSA-N 1 0 363.469 2.539 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc1F ZINC000155753498 728835633 /nfs/dbraw/zinc/83/56/33/728835633.db2.gz WDPBXKDORFPEFA-HNNXBMFYSA-N 1 0 353.507 2.725 20 10 FFCDRO COc1cccc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)c1O ZINC000898292384 735338090 /nfs/dbraw/zinc/33/80/90/735338090.db2.gz HREXFCQWWIKUCU-UHFFFAOYSA-N 1 0 362.451 2.595 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC)cc1F ZINC000745812332 735445527 /nfs/dbraw/zinc/44/55/27/735445527.db2.gz SKWUQFBZJYEYIT-MRXNPFEDSA-N 1 0 350.482 2.955 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(F)(F)CC2)[NH+](C)C)cc1 ZINC000899098287 735447015 /nfs/dbraw/zinc/44/70/15/735447015.db2.gz NHPQWNLYHFRZTR-MRXNPFEDSA-N 1 0 354.445 2.796 20 10 FFCDRO CC[NH+](CC)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000075181675 728244632 /nfs/dbraw/zinc/24/46/32/728244632.db2.gz NGPMZVHFDALKSO-AWEZNQCLSA-N 1 0 355.429 2.715 20 10 FFCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(CC)cc(C(C)(C)C)c2O)C1 ZINC000092303913 728466260 /nfs/dbraw/zinc/46/62/60/728466260.db2.gz MYOYBGWOMCMFBZ-MRXNPFEDSA-N 1 0 368.543 2.766 20 10 FFCDRO CC(C)OCC[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093586253 728476871 /nfs/dbraw/zinc/47/68/71/728476871.db2.gz YVEJOKMQOJYFFU-UHFFFAOYSA-N 1 0 357.292 2.697 20 10 FFCDRO O=C(CC1(O)CCCC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129964614 728714220 /nfs/dbraw/zinc/71/42/20/728714220.db2.gz SRQRHPIYPMRULI-MRXNPFEDSA-N 1 0 366.889 2.821 20 10 FFCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCSc2nccs2)C1 ZINC000183288385 729300472 /nfs/dbraw/zinc/30/04/72/729300472.db2.gz ZEJHPCIUCJTULN-KGLIPLIRSA-N 1 0 354.545 2.751 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(O)c1O ZINC000193138978 729469481 /nfs/dbraw/zinc/46/94/81/729469481.db2.gz WYNNFOBDJDRRBC-UHFFFAOYSA-N 1 0 350.365 2.580 20 10 FFCDRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000228776511 729549529 /nfs/dbraw/zinc/54/95/29/729549529.db2.gz LBDOSKNELSFPGG-UHFFFAOYSA-N 1 0 357.248 2.864 20 10 FFCDRO O=S(=O)(c1ccccc1C[NH2+]Cc1ccccc1O)N1CCCCC1 ZINC000238104401 729566961 /nfs/dbraw/zinc/56/69/61/729566961.db2.gz WVHVOUXJMRTKDQ-UHFFFAOYSA-N 1 0 360.479 2.857 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1F ZINC000858172123 730418692 /nfs/dbraw/zinc/41/86/92/730418692.db2.gz KMBIGWRHUFGQSP-UGSOOPFHSA-N 1 0 350.413 2.774 20 10 FFCDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000858766496 730433235 /nfs/dbraw/zinc/43/32/35/730433235.db2.gz NMMPYPWQAHXVLG-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO CCOC(=O)N1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862237274 730679687 /nfs/dbraw/zinc/67/96/87/730679687.db2.gz LAOYDNCHEPXECT-UHFFFAOYSA-N 1 0 357.248 2.819 20 10 FFCDRO Nc1nccc([C@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862358819 730691377 /nfs/dbraw/zinc/69/13/77/730691377.db2.gz WZJKJFFCZVRXIR-NSHDSACASA-N 1 0 363.259 2.907 20 10 FFCDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC000862487891 730704817 /nfs/dbraw/zinc/70/48/17/730704817.db2.gz XLSXZOJYQIQWHD-ZDUSSCGKSA-N 1 0 370.243 2.905 20 10 FFCDRO C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000863544043 730789740 /nfs/dbraw/zinc/78/97/40/730789740.db2.gz JJSUWLPGMNWTRX-SECBINFHSA-N 1 0 351.672 2.695 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866442460 731061006 /nfs/dbraw/zinc/06/10/06/731061006.db2.gz MIPFZDKYLVEDGM-XCBNKYQSSA-N 1 0 354.191 2.830 20 10 FFCDRO C[C@H]([NH2+]Cc1c(I)cnn1C)c1ccccc1O ZINC000866630472 731081337 /nfs/dbraw/zinc/08/13/37/731081337.db2.gz QEQJYQMXPOIZIC-VIFPVBQESA-N 1 0 357.195 2.581 20 10 FFCDRO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000925781706 738529370 /nfs/dbraw/zinc/52/93/70/738529370.db2.gz ZTGNVJVZWFESPA-DZGCQCFKSA-N 1 0 357.420 2.558 20 10 FFCDRO C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Br)cc1O ZINC000925792021 738530090 /nfs/dbraw/zinc/53/00/90/738530090.db2.gz NUGOQQLHYVODSD-GXTWGEPZSA-N 1 0 369.303 2.964 20 10 FFCDRO COC(=O)c1cnc(SC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000871981409 731711027 /nfs/dbraw/zinc/71/10/27/731711027.db2.gz WCHQBWWVBHLLOJ-KRWDZBQOSA-N 1 0 364.492 2.659 20 10 FFCDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1Cn1cccn1 ZINC000873058188 731869064 /nfs/dbraw/zinc/86/90/64/731869064.db2.gz CSFUATDNNXLUPT-IBGZPJMESA-N 1 0 357.479 2.999 20 10 FFCDRO CCN(CC[NH3+])C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000877006742 732310786 /nfs/dbraw/zinc/31/07/86/732310786.db2.gz PGPJRDKYXSXVAY-UHFFFAOYSA-N 1 0 365.275 2.672 20 10 FFCDRO CC[C@@](C)(C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)OC ZINC000877345841 732347255 /nfs/dbraw/zinc/34/72/55/732347255.db2.gz KYIQGHMICVJMEK-IBGZPJMESA-N 1 0 352.475 2.650 20 10 FFCDRO COC(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)n1C ZINC000877520999 732379352 /nfs/dbraw/zinc/37/93/52/732379352.db2.gz NTNOILVBHNOQCU-UHFFFAOYSA-N 1 0 353.216 2.570 20 10 FFCDRO COc1cccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000877680062 732412482 /nfs/dbraw/zinc/41/24/82/732412482.db2.gz SOMDUNXIYBDCOC-UKRRQHHQSA-N 1 0 350.459 2.993 20 10 FFCDRO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCOC1 ZINC000781350277 738620341 /nfs/dbraw/zinc/62/03/41/738620341.db2.gz ILOARSHMRIJTJC-APWZRJJASA-N 1 0 366.889 2.943 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000881853595 733120676 /nfs/dbraw/zinc/12/06/76/733120676.db2.gz BUTRRXJDXDCPJZ-MRXNPFEDSA-N 1 0 351.441 2.880 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCO[C@H]2CCOC2)c1O ZINC000927078960 738689018 /nfs/dbraw/zinc/68/90/18/738689018.db2.gz BEXQBJJBHAAMDP-JQWIXIFHSA-N 1 0 360.248 2.619 20 10 FFCDRO O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)C1=CC(=O)CS1 ZINC000882379335 733218118 /nfs/dbraw/zinc/21/81/18/733218118.db2.gz WLXRHRYXJFIADW-UHFFFAOYSA-N 1 0 360.479 2.601 20 10 FFCDRO CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883473321 733390253 /nfs/dbraw/zinc/39/02/53/733390253.db2.gz WCVSQQWKIUGXBA-SJLPKXTDSA-N 1 0 362.543 2.522 20 10 FFCDRO [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000884229278 733498667 /nfs/dbraw/zinc/49/86/67/733498667.db2.gz MECIIMJSVPXUCK-XJKSGUPXSA-N 1 0 353.413 2.500 20 10 FFCDRO Cc1sc(-c2ccc(N(C)C)cc2)nc1-c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000887378519 733917149 /nfs/dbraw/zinc/91/71/49/733917149.db2.gz IMQDJBHGBOKWML-OAHLLOKOSA-N 1 0 354.483 2.977 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000725846307 734395932 /nfs/dbraw/zinc/39/59/32/734395932.db2.gz DQAOCSWJYGDXST-CYBMUJFWSA-N 1 0 364.467 2.502 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C2SCCCS2)[NH+](C)C)cc1 ZINC000891248960 734404618 /nfs/dbraw/zinc/40/46/18/734404618.db2.gz PGPOGENZRVWGRG-HNNXBMFYSA-N 1 0 353.557 2.668 20 10 FFCDRO CNc1snc(C)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251620 734405062 /nfs/dbraw/zinc/40/50/62/734405062.db2.gz CIGVABZYFGJYJD-OAHLLOKOSA-N 1 0 361.515 2.592 20 10 FFCDRO CCc1nc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000891255625 734405478 /nfs/dbraw/zinc/40/54/78/734405478.db2.gz QUBILJMKMSMXOG-KRWDZBQOSA-N 1 0 360.527 2.733 20 10 FFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891856364 734484728 /nfs/dbraw/zinc/48/47/28/734484728.db2.gz UEKRHTZAWHDUIQ-CQSZACIVSA-N 1 0 350.459 2.538 20 10 FFCDRO CSCCCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000893098221 734650779 /nfs/dbraw/zinc/65/07/79/734650779.db2.gz IRUJPIYRJTVENP-QGZVFWFLSA-N 1 0 352.548 2.798 20 10 FFCDRO COc1ccc(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1OC ZINC000893427196 734700698 /nfs/dbraw/zinc/70/06/98/734700698.db2.gz IAJPZCBCPGYTRY-UHFFFAOYSA-N 1 0 354.447 2.708 20 10 FFCDRO CN(c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893573728 734721228 /nfs/dbraw/zinc/72/12/28/734721228.db2.gz QJTWBPXSSZIMQV-ZWKOTPCHSA-N 1 0 352.450 2.697 20 10 FFCDRO [O-]c1c(F)cc(Br)cc1C[N@H+](CCO)Cc1cccnc1 ZINC000894002627 734785369 /nfs/dbraw/zinc/78/53/69/734785369.db2.gz UDWKVKLNUIZOFI-UHFFFAOYSA-N 1 0 355.207 2.683 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894472489 734864850 /nfs/dbraw/zinc/86/48/50/734864850.db2.gz SFSNRXTZSRTODN-CQSZACIVSA-N 1 0 351.443 2.963 20 10 FFCDRO CCO/C=C/[C@@](O)(C[NH2+]Cc1cc(Cl)cc(OC)c1O)C(F)(F)F ZINC000895714823 735046118 /nfs/dbraw/zinc/04/61/18/735046118.db2.gz XTGCTSKXSOGWTH-ISZGNANSSA-N 1 0 369.767 2.987 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896396650 735152815 /nfs/dbraw/zinc/15/28/15/735152815.db2.gz QLWWTOOCXIPHSI-PXAZEXFGSA-N 1 0 354.834 2.765 20 10 FFCDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)COC(=O)N1 ZINC000896396765 735153038 /nfs/dbraw/zinc/15/30/38/735153038.db2.gz KYWMLQUDYLPPET-BZNIZROVSA-N 1 0 369.259 2.865 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1O ZINC000903212311 736055755 /nfs/dbraw/zinc/05/57/55/736055755.db2.gz WKGQEGJUXSQQJF-WDEREUQCSA-N 1 0 371.275 2.682 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H]3CS[C@@H](C(C)C)C3)CC2)cc1 ZINC000754125977 736128957 /nfs/dbraw/zinc/12/89/57/736128957.db2.gz YTJASKWOJHJFLZ-YLJYHZDGSA-N 1 0 363.571 2.937 20 10 FFCDRO CCNC(=O)C1(C[NH2+]Cc2cc(Br)cc(C)c2O)CCC1 ZINC000754154843 736131512 /nfs/dbraw/zinc/13/15/12/736131512.db2.gz RNBHEPZYOUWVRB-UHFFFAOYSA-N 1 0 355.276 2.859 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)COC2CCOCC2)cc1 ZINC000755892369 736286626 /nfs/dbraw/zinc/28/66/26/736286626.db2.gz GFTJMXMYDFFQNB-LJQANCHMSA-N 1 0 350.503 2.521 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)c2c1c(F)ccc2O ZINC000756484366 736335775 /nfs/dbraw/zinc/33/57/75/736335775.db2.gz VGRCSVSTTCXXGM-WFASDCNBSA-N 1 0 364.442 2.648 20 10 FFCDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000756641467 736349214 /nfs/dbraw/zinc/34/92/14/736349214.db2.gz IANZCGAREGBDJN-LBPRGKRZSA-N 1 0 357.292 2.916 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000760452348 736640500 /nfs/dbraw/zinc/64/05/00/736640500.db2.gz XIAKSMRKLLYMPF-LLVKDONJSA-N 1 0 358.154 2.566 20 10 FFCDRO C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[NH+]1CCCCC1 ZINC000761125347 736698009 /nfs/dbraw/zinc/69/80/09/736698009.db2.gz QSOAMAVGYKAYNF-CYBMUJFWSA-N 1 0 365.861 2.684 20 10 FFCDRO Cc1nn2c(CN(C)c3ccc(OCC[NH+](C)C)cc3)c(C)nc2s1 ZINC000761222508 736709167 /nfs/dbraw/zinc/70/91/67/736709167.db2.gz KAZBCZBJWOOKNB-UHFFFAOYSA-N 1 0 359.499 2.984 20 10 FFCDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CCOC1 ZINC000763571094 736948516 /nfs/dbraw/zinc/94/85/16/736948516.db2.gz HKACYZLVHMLCPT-KDOFPFPSSA-N 1 0 354.878 2.633 20 10 FFCDRO C[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[S@](C)=O ZINC000765284984 737104995 /nfs/dbraw/zinc/10/49/95/737104995.db2.gz IOUIHTHMCUQDCV-BSEYFRJRSA-N 1 0 353.488 2.832 20 10 FFCDRO CC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[NH+](C)C ZINC000765684742 737144536 /nfs/dbraw/zinc/14/45/36/737144536.db2.gz LKGGQWNAVXNMLS-CZUORRHYSA-N 1 0 355.429 2.713 20 10 FFCDRO CCN(C)c1ccc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000773813859 737936654 /nfs/dbraw/zinc/93/66/54/737936654.db2.gz WNNNJBOVPDPBQM-OAHLLOKOSA-N 1 0 361.511 2.902 20 10 FFCDRO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774163505 737965443 /nfs/dbraw/zinc/96/54/43/737965443.db2.gz LTRJRKASXVHGRF-NEPJUHHUSA-N 1 0 374.312 2.937 20 10 FFCDRO CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000775501193 738097535 /nfs/dbraw/zinc/09/75/35/738097535.db2.gz CMRFRLSYHWZJNJ-SWLSCSKDSA-N 1 0 357.292 2.916 20 10 FFCDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cc(Cl)ccc1O ZINC000775525178 738099256 /nfs/dbraw/zinc/09/92/56/738099256.db2.gz DSHGVHOXWDIVFT-CABCVRRESA-N 1 0 362.861 2.934 20 10 FFCDRO CCOCc1cc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)ccc1OC ZINC000922419849 738142213 /nfs/dbraw/zinc/14/22/13/738142213.db2.gz RKEXJNFIFIFKPZ-UHFFFAOYSA-N 1 0 369.527 2.925 20 10 FFCDRO CCOCc1cc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)ccc1OC ZINC000922525837 738160911 /nfs/dbraw/zinc/16/09/11/738160911.db2.gz VPRUXPLFTUUQNU-ROUUACIJSA-N 1 0 350.528 2.901 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@]2(OC)CCS(=O)(=O)C2)cc1 ZINC000922616101 738174050 /nfs/dbraw/zinc/17/40/50/738174050.db2.gz SEUCKSNGDPPEKC-LJQANCHMSA-N 1 0 368.543 2.606 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922964076 738225502 /nfs/dbraw/zinc/22/55/02/738225502.db2.gz BJXXZYSLUIGUBV-UHFFFAOYSA-N 1 0 355.257 2.974 20 10 FFCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)c(C(F)(F)F)c1 ZINC000922989896 738227711 /nfs/dbraw/zinc/22/77/11/738227711.db2.gz AOGKDRSWHPFSLA-LBPRGKRZSA-N 1 0 353.392 2.547 20 10 FFCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982952 739305865 /nfs/dbraw/zinc/30/58/65/739305865.db2.gz KSDLCAJUPSJDBK-UONOGXRCSA-N 1 0 353.894 2.694 20 10 FFCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000788982950 739305889 /nfs/dbraw/zinc/30/58/89/739305889.db2.gz KSDLCAJUPSJDBK-KGLIPLIRSA-N 1 0 353.894 2.694 20 10 FFCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000789965845 739400419 /nfs/dbraw/zinc/40/04/19/739400419.db2.gz FIFVQIAMIMTDPJ-UHFFFAOYSA-N 1 0 350.434 2.965 20 10 FFCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)CC2CC2)c(C(F)(F)F)c1 ZINC000793022499 739732274 /nfs/dbraw/zinc/73/22/74/739732274.db2.gz QCGJUGFAJNHPJZ-UHFFFAOYSA-N 1 0 364.433 2.686 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(C(F)(F)F)c1 ZINC000793153261 739744962 /nfs/dbraw/zinc/74/49/62/739744962.db2.gz PKMCAADLXGTYFO-UHFFFAOYSA-N 1 0 357.376 2.846 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2c(C)nc3sccn3c2=O)c1 ZINC000795988270 740087680 /nfs/dbraw/zinc/08/76/80/740087680.db2.gz YVPVPFPYUHHLIC-NSHDSACASA-N 1 0 359.451 2.672 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000796510321 740148791 /nfs/dbraw/zinc/14/87/91/740148791.db2.gz MQBAXJSACXGFAH-IBGZPJMESA-N 1 0 365.543 2.581 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccc(Br)cc1O ZINC000806178883 741045615 /nfs/dbraw/zinc/04/56/15/741045615.db2.gz KLSHRNAFQIUCMI-DGCLKSJQSA-N 1 0 351.244 2.976 20 10 FFCDRO CCN(CC(=O)NCCc1ccc(O)c(O)c1)Cc1ccccc1Cl ZINC000807106164 741110938 /nfs/dbraw/zinc/11/09/38/741110938.db2.gz LBNHGSVXWMRMSX-UHFFFAOYSA-N 1 0 362.857 2.932 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000808422267 741224359 /nfs/dbraw/zinc/22/43/59/741224359.db2.gz IKARTTIQJLZGPY-GFCCVEGCSA-N 1 0 360.376 2.824 20 10 FFCDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000809610435 741321221 /nfs/dbraw/zinc/32/12/21/741321221.db2.gz ZWBXAZBSBXDODB-CQSZACIVSA-N 1 0 361.511 2.695 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1 ZINC000809700776 741333706 /nfs/dbraw/zinc/33/37/06/741333706.db2.gz NZJPYPDGTPLMDN-HIFRSBDPSA-N 1 0 369.303 2.758 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000811940592 741575704 /nfs/dbraw/zinc/57/57/04/741575704.db2.gz NWIYHQROMIZSIP-CYBMUJFWSA-N 1 0 367.515 2.588 20 10 FFCDRO CCNS(=O)(=O)CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815592717 741946840 /nfs/dbraw/zinc/94/68/40/741946840.db2.gz QHPAXQTUJFROMC-GOSISDBHSA-N 1 0 362.495 2.595 20 10 FFCDRO Oc1c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)ccc2ccccc21 ZINC000816537558 742039869 /nfs/dbraw/zinc/03/98/69/742039869.db2.gz JACDEULIGOPNPU-FQEVSTJZSA-N 1 0 358.507 2.843 20 10 FFCDRO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816594055 742045260 /nfs/dbraw/zinc/04/52/60/742045260.db2.gz NQZVNOJVMIHWAJ-KRWDZBQOSA-N 1 0 360.479 2.545 20 10 FFCDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc(C)c3O)[C@H]2C1 ZINC000816639212 742049905 /nfs/dbraw/zinc/04/99/05/742049905.db2.gz LDMYDXAHIJUYQW-JKSUJKDBSA-N 1 0 369.303 2.758 20 10 FFCDRO Oc1cc(Br)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000824942980 743183244 /nfs/dbraw/zinc/18/32/44/743183244.db2.gz FQRFLOIQRHIGTH-UHFFFAOYSA-N 1 0 351.248 2.658 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)c1O ZINC000825326508 743248353 /nfs/dbraw/zinc/24/83/53/743248353.db2.gz NESKTBHSLMFCGC-HIFRSBDPSA-N 1 0 351.834 2.798 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1Cl ZINC000825405849 743264859 /nfs/dbraw/zinc/26/48/59/743264859.db2.gz KZYHXBXTROQTJQ-CQSZACIVSA-N 1 0 350.821 2.927 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000825943748 743346720 /nfs/dbraw/zinc/34/67/20/743346720.db2.gz JYWLAIICNGBNTL-CJNGLKHVSA-N 1 0 350.212 2.739 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000826267820 743376903 /nfs/dbraw/zinc/37/69/03/743376903.db2.gz XXWYTVDZZNTLGN-UHFFFAOYSA-N 1 0 359.817 2.703 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827172418 743525473 /nfs/dbraw/zinc/52/54/73/743525473.db2.gz RSDHTQYAFGZCLN-GXFFZTMASA-N 1 0 362.289 2.518 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1F ZINC000827544803 743598100 /nfs/dbraw/zinc/59/81/00/743598100.db2.gz LAQIBTJYBRYTHG-MRXNPFEDSA-N 1 0 350.482 2.860 20 10 FFCDRO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000830665270 745401022 /nfs/dbraw/zinc/40/10/22/745401022.db2.gz SEUVCSRQHJDYIS-ZIAGYGMSSA-N 1 0 355.429 2.761 20 10 FFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831241352 745505149 /nfs/dbraw/zinc/50/51/49/745505149.db2.gz QYOWUEBPEIHCOP-BLLLJJGKSA-N 1 0 356.495 2.529 20 10 FFCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000831241353 745505179 /nfs/dbraw/zinc/50/51/79/745505179.db2.gz QYOWUEBPEIHCOP-LRDDRELGSA-N 1 0 356.495 2.529 20 10 FFCDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1Br ZINC000834805527 745903869 /nfs/dbraw/zinc/90/38/69/745903869.db2.gz VSHMBJLKTBTJBC-HALDLXJZSA-N 1 0 374.282 2.804 20 10 FFCDRO Cn1nncc1C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839104779 746775847 /nfs/dbraw/zinc/77/58/47/746775847.db2.gz PIJPTEVGTYWJOR-UHFFFAOYSA-N 1 0 364.291 2.858 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)c1O ZINC000839175314 746794111 /nfs/dbraw/zinc/79/41/11/746794111.db2.gz VQRNAYRERHFUCP-HNNXBMFYSA-N 1 0 371.861 2.560 20 10 FFCDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839529255 746848244 /nfs/dbraw/zinc/84/82/44/746848244.db2.gz DWGMMLJTJBVKPP-UHFFFAOYSA-N 1 0 360.527 2.778 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C2CC2)cc1 ZINC000841334727 747318799 /nfs/dbraw/zinc/31/87/99/747318799.db2.gz ICOLQOCIQFFWHF-OAHLLOKOSA-N 1 0 358.408 2.706 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cs2)cc1 ZINC000841851307 747476680 /nfs/dbraw/zinc/47/66/80/747476680.db2.gz PGYDSQXSCYOZEE-IBGZPJMESA-N 1 0 356.495 2.532 20 10 FFCDRO [NH3+]CCN(CCc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000841856314 747477315 /nfs/dbraw/zinc/47/73/15/747477315.db2.gz HYANABHCOQQXCV-UHFFFAOYSA-N 1 0 364.540 2.838 20 10 FFCDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000841896572 747483903 /nfs/dbraw/zinc/48/39/03/747483903.db2.gz LRZGNDQJHYWTCM-AWEZNQCLSA-N 1 0 352.910 2.937 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841925124 747487898 /nfs/dbraw/zinc/48/78/98/747487898.db2.gz AEVRVJDDWMXYPB-GFCCVEGCSA-N 1 0 370.291 2.686 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000842000648 747499199 /nfs/dbraw/zinc/49/91/99/747499199.db2.gz YYGCBVLURQICHL-NSHDSACASA-N 1 0 358.280 2.814 20 10 FFCDRO CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842012259 747501259 /nfs/dbraw/zinc/50/12/59/747501259.db2.gz ZMEVIZOKDDGODU-FZMZJTMJSA-N 1 0 370.291 2.814 20 10 FFCDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(Cl)cc1O ZINC000842884715 747713738 /nfs/dbraw/zinc/71/37/38/747713738.db2.gz UOUMDXGFIXTHSC-AAEUAGOBSA-N 1 0 367.854 2.931 20 10 FFCDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccc(Br)cc1O ZINC000842918756 747720943 /nfs/dbraw/zinc/72/09/43/747720943.db2.gz IOGLATLHVNDFKM-MEDUHNTESA-N 1 0 358.276 2.983 20 10 FFCDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000843056384 747757378 /nfs/dbraw/zinc/75/73/78/747757378.db2.gz IPYGERQORRZDAZ-UHFFFAOYSA-N 1 0 357.292 2.793 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843417765 747833236 /nfs/dbraw/zinc/83/32/36/747833236.db2.gz KKEMGPMVEVWAGY-CQSZACIVSA-N 1 0 367.854 2.679 20 10 FFCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(=O)NCc1cccs1 ZINC000843427570 747835012 /nfs/dbraw/zinc/83/50/12/747835012.db2.gz HHRSJCWXHDZJKG-AWEZNQCLSA-N 1 0 364.467 2.656 20 10 FFCDRO Cc1cc(Br)cc(CN2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431504 747835340 /nfs/dbraw/zinc/83/53/40/747835340.db2.gz FVRJSHDYDLHVOJ-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000845938026 748357122 /nfs/dbraw/zinc/35/71/22/748357122.db2.gz TZECHVCDLUMTCH-LPHOPBHVSA-N 1 0 350.528 2.980 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(C3(O)CC3)CC2)c1O ZINC000846009399 748381417 /nfs/dbraw/zinc/38/14/17/748381417.db2.gz YSISSLQYKZOVLY-UHFFFAOYSA-N 1 0 356.260 2.900 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)c1O ZINC000846150285 748416071 /nfs/dbraw/zinc/41/60/71/748416071.db2.gz CVCSVACGNLXBBD-LLVKDONJSA-N 1 0 350.365 2.760 20 10 FFCDRO [NH3+]CCc1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000846672059 748522803 /nfs/dbraw/zinc/52/28/03/748522803.db2.gz BPOMPCWLVVFGRP-UHFFFAOYSA-N 1 0 355.507 2.671 20 10 FFCDRO CCC(CC)(CO)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591377 748736362 /nfs/dbraw/zinc/73/63/62/748736362.db2.gz UVXDPJAWCHVAND-MRXNPFEDSA-N 1 0 368.905 2.925 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000848517318 748947776 /nfs/dbraw/zinc/94/77/76/748947776.db2.gz GVZYRUZIRXNTGJ-SNVBAGLBSA-N 1 0 371.275 2.825 20 10 FFCDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848531463 748951611 /nfs/dbraw/zinc/95/16/11/748951611.db2.gz OTGXYCAKFCYSJE-JTQLQIEISA-N 1 0 369.263 2.668 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCc2ncn(C)n2)c1O ZINC000848555177 748959569 /nfs/dbraw/zinc/95/95/69/748959569.db2.gz MKRDPHXAKBKPDB-JTQLQIEISA-N 1 0 369.263 2.575 20 10 FFCDRO CCOC(=O)CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000848927601 749036676 /nfs/dbraw/zinc/03/66/76/749036676.db2.gz ISRRKIQBWGKQMV-UHFFFAOYSA-N 1 0 352.450 2.826 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000848929503 749036825 /nfs/dbraw/zinc/03/68/25/749036825.db2.gz FXAVBQDXYCDTJV-MRXNPFEDSA-N 1 0 354.878 2.741 20 10 FFCDRO CC1CCN(C(=[NH2+])NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000849109782 749053380 /nfs/dbraw/zinc/05/33/80/749053380.db2.gz HMICALYFFPDNOH-UHFFFAOYSA-N 1 0 352.429 2.558 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([S@](C)=O)C3)CC2)cc1 ZINC000850357101 749351467 /nfs/dbraw/zinc/35/14/67/749351467.db2.gz XXZCXENZEYBTHB-MTJJIEKYSA-N 1 0 350.528 2.943 20 10 FFCDRO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1cc(F)ccc1O ZINC000397414523 845867576 /nfs/dbraw/zinc/86/75/76/845867576.db2.gz XZPOYAIHHNALLF-OCCSQVGLSA-N 1 0 354.422 2.818 20 10 FFCDRO C[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000895635953 970807935 /nfs/dbraw/zinc/80/79/35/970807935.db2.gz PJUMCOIFNRXVHS-JXFKEZNVSA-N 1 0 369.513 2.853 20 10 FFCDRO Cc1cnc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(C)c1 ZINC000896677511 971665339 /nfs/dbraw/zinc/66/53/39/971665339.db2.gz SJCORARYYUUETR-FQEVSTJZSA-N 1 0 369.513 2.867 20 10 FFCDRO CCOCCN1CC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001275894513 1013157010 /nfs/dbraw/zinc/15/70/10/1013157010.db2.gz SZZVQVKZTPYNJD-SFHVURJKSA-N 1 0 352.862 2.507 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872281200 1013198843 /nfs/dbraw/zinc/19/88/43/1013198843.db2.gz QKZMWOQHIQVCRG-HXUWFJFHSA-N 1 0 359.514 2.792 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC000872660089 1013245567 /nfs/dbraw/zinc/24/55/67/1013245567.db2.gz VVWLXZSMOOGGSW-OCCSQVGLSA-N 1 0 366.458 2.897 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000653132540 962114879 /nfs/dbraw/zinc/11/48/79/962114879.db2.gz KCAAPPSYWDHERZ-HNNXBMFYSA-N 1 0 355.482 2.787 20 10 FFCDRO Cn1cc(C2=NC[C@H](C[N@H+](Cc3ccccc3O)C3CCCC3)O2)cn1 ZINC001167353676 962303427 /nfs/dbraw/zinc/30/34/27/962303427.db2.gz LNHLIZZVEMYXLW-GOSISDBHSA-N 1 0 354.454 2.716 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1Cn1cccn1 ZINC000873007132 1013343986 /nfs/dbraw/zinc/34/39/86/1013343986.db2.gz HOVQIWQSLKPBCO-SFHVURJKSA-N 1 0 354.454 2.926 20 10 FFCDRO Cc1nn(C(C)C)cc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247214 962573187 /nfs/dbraw/zinc/57/31/87/962573187.db2.gz ROWJRLVEAIRXAW-LJQANCHMSA-N 1 0 357.502 2.871 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)CCC(=O)c2ccccn2)[NH+](C)C)cc1 ZINC000891249886 962588771 /nfs/dbraw/zinc/58/87/71/962588771.db2.gz XNJHHRAXGHMBMZ-IBGZPJMESA-N 1 0 368.481 2.530 20 10 FFCDRO CC(=O)c1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250640 962591975 /nfs/dbraw/zinc/59/19/75/962591975.db2.gz BGFWVDIGBGCMIS-FQEVSTJZSA-N 1 0 353.466 2.988 20 10 FFCDRO Cc1noc(C)c1[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253367 962605967 /nfs/dbraw/zinc/60/59/67/962605967.db2.gz RROIIIZBEPWYRQ-UGSOOPFHSA-N 1 0 358.486 2.880 20 10 FFCDRO CC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000891258158 962625376 /nfs/dbraw/zinc/62/53/76/962625376.db2.gz PCMGMXIXRLTWHQ-FQEVSTJZSA-N 1 0 368.481 2.744 20 10 FFCDRO CCCOc1ccc(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1C ZINC000873048324 1013363789 /nfs/dbraw/zinc/36/37/89/1013363789.db2.gz WYPGNRWXXAWRMC-UHFFFAOYSA-N 1 0 361.530 2.816 20 10 FFCDRO COc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1Cn1cccn1 ZINC000873052602 1013365498 /nfs/dbraw/zinc/36/54/98/1013365498.db2.gz RLEFPHFMQRXSMQ-FQEVSTJZSA-N 1 0 351.450 2.633 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1Cn1cccn1 ZINC000873138033 1013397620 /nfs/dbraw/zinc/39/76/20/1013397620.db2.gz AUCGBRWPRSQSFR-KRWDZBQOSA-N 1 0 370.497 2.677 20 10 FFCDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1-c1nn[nH]n1 ZINC001167436976 963271004 /nfs/dbraw/zinc/27/10/04/963271004.db2.gz JOIVRQWTQRADEP-UHFFFAOYSA-N 1 0 363.469 2.539 20 10 FFCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccn1 ZINC000891526700 964427195 /nfs/dbraw/zinc/42/71/95/964427195.db2.gz ODODXHYQXRYDPP-HNAYVOBHSA-N 1 0 355.486 2.811 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000176092443 965190996 /nfs/dbraw/zinc/19/09/96/965190996.db2.gz QCJWCRZSXRKSBR-IEBWSBKVSA-N 1 0 374.529 2.836 20 10 FFCDRO COCC1(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCC1 ZINC000291093021 965406013 /nfs/dbraw/zinc/40/60/13/965406013.db2.gz ICZGCZNZKHBOOU-UHFFFAOYSA-N 1 0 364.486 2.651 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)NCCC2(C[NH3+])CC2)CCCC1 ZINC000653222943 966090414 /nfs/dbraw/zinc/09/04/14/966090414.db2.gz WGTVTNNVEWICEZ-UHFFFAOYSA-N 1 0 355.482 2.774 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1OC ZINC000892246452 966376549 /nfs/dbraw/zinc/37/65/49/966376549.db2.gz UJASHSYQPHQMKR-AWEZNQCLSA-N 1 0 358.442 2.785 20 10 FFCDRO COC(=O)CCNC(=O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176689757 966655874 /nfs/dbraw/zinc/65/58/74/966655874.db2.gz LPXQMPLRHOUEIV-INIZCTEOSA-N 1 0 370.449 2.635 20 10 FFCDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000874239868 1013799074 /nfs/dbraw/zinc/79/90/74/1013799074.db2.gz CPSOUYCRVWKCOD-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO CCC(CC)[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)N1CCOCC1 ZINC000892534881 969394257 /nfs/dbraw/zinc/39/42/57/969394257.db2.gz ZMSNCHQLIGLTTI-KRWDZBQOSA-N 1 0 366.502 2.636 20 10 FFCDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000178077209 969437703 /nfs/dbraw/zinc/43/77/03/969437703.db2.gz GRPGHBLYGQKSRK-INIZCTEOSA-N 1 0 365.493 2.962 20 10 FFCDRO COc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c(O)c1OC ZINC000892602328 969567864 /nfs/dbraw/zinc/56/78/64/969567864.db2.gz AUGDROSICWYWPC-KRWDZBQOSA-N 1 0 370.449 2.863 20 10 FFCDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000164199961 969742185 /nfs/dbraw/zinc/74/21/85/969742185.db2.gz TTXKFOZKLJESLX-DOTOQJQBSA-N 1 0 352.438 2.807 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000125296764 1013975756 /nfs/dbraw/zinc/97/57/56/1013975756.db2.gz PYHXDBZGHYMNQT-UHFFFAOYSA-N 1 0 357.454 2.674 20 10 FFCDRO COc1cccc(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1O ZINC000895504262 970674646 /nfs/dbraw/zinc/67/46/46/970674646.db2.gz GQNSCVAARDLSQX-MRXNPFEDSA-N 1 0 354.406 2.619 20 10 FFCDRO COc1ccc(C2=NO[C@@H](C[NH2+]Cc3c(O)cccc3OC)C2)cc1F ZINC000895503655 970675247 /nfs/dbraw/zinc/67/52/47/970675247.db2.gz NLYWDQORDIEBSE-CYBMUJFWSA-N 1 0 360.385 2.831 20 10 FFCDRO C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2c1c(F)ccc2O ZINC000840780831 973125365 /nfs/dbraw/zinc/12/53/65/973125365.db2.gz OJNSVHXCERQWRI-HOCLYGCPSA-N 1 0 364.461 2.551 20 10 FFCDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662816419 974202000 /nfs/dbraw/zinc/20/20/00/974202000.db2.gz BBWQIKHMYIAFRX-GOEBONIOSA-N 1 0 368.481 2.970 20 10 FFCDRO Nc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1 ZINC000876504287 1014286032 /nfs/dbraw/zinc/28/60/32/1014286032.db2.gz LQJGFEVUFNEZQW-PZJWPPBQSA-N 1 0 351.450 2.746 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2c3c(nn2C)CCSC3)N(C)C)cc1 ZINC000898447736 976468870 /nfs/dbraw/zinc/46/88/70/976468870.db2.gz LABCGAPMXYEWNK-LJQANCHMSA-N 1 0 373.570 2.668 20 10 FFCDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876655507 1014341610 /nfs/dbraw/zinc/34/16/10/1014341610.db2.gz MGMQXXCQJBBNAR-LJQANCHMSA-N 1 0 373.541 2.776 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)c2cncn2C)c(C)n1-c1cccc(Cl)c1 ZINC000898887545 976748521 /nfs/dbraw/zinc/74/85/21/976748521.db2.gz CPKJYHUZRNTBIR-KRWDZBQOSA-N 1 0 372.856 2.944 20 10 FFCDRO Cc1ncccc1CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898918836 976775892 /nfs/dbraw/zinc/77/58/92/976775892.db2.gz XVQIICWELCWROO-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000248707483 977873685 /nfs/dbraw/zinc/87/36/85/977873685.db2.gz AXMUOCABNYMOEU-DNVCBOLYSA-N 1 0 369.465 2.721 20 10 FFCDRO CO[C@H](C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCOC1 ZINC000876999803 1014445608 /nfs/dbraw/zinc/44/56/08/1014445608.db2.gz ZCVYPNSZSVXGCZ-RDTXWAMCSA-N 1 0 370.440 2.898 20 10 FFCDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877009174 1014448598 /nfs/dbraw/zinc/44/85/98/1014448598.db2.gz UTXZPTGDXWEALT-UHFFFAOYSA-N 1 0 371.437 2.725 20 10 FFCDRO CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(N)cc1 ZINC000877074860 1014469603 /nfs/dbraw/zinc/46/96/03/1014469603.db2.gz UJCVRCRTMOFXSZ-UHFFFAOYSA-N 1 0 352.482 2.615 20 10 FFCDRO CN1Cc2ccccc2[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877126973 1014480119 /nfs/dbraw/zinc/48/01/19/1014480119.db2.gz XNVXMDIVKHSSSE-JOCHJYFZSA-N 1 0 351.494 2.924 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)[NH+](C)C)cc1 ZINC000894233495 978360010 /nfs/dbraw/zinc/36/00/10/978360010.db2.gz CQEVHGGLMLMABL-YZGWKJHDSA-N 1 0 374.529 2.612 20 10 FFCDRO O=C(CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCCCCC1 ZINC000877147531 1014489417 /nfs/dbraw/zinc/48/94/17/1014489417.db2.gz XYABFWCGRJEPOP-UHFFFAOYSA-N 1 0 359.514 2.530 20 10 FFCDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)n1 ZINC000877188683 1014503933 /nfs/dbraw/zinc/50/39/33/1014503933.db2.gz DPLLCJHHABIDEH-UHFFFAOYSA-N 1 0 370.497 2.893 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc21 ZINC000877373361 1014565405 /nfs/dbraw/zinc/56/54/05/1014565405.db2.gz ZIJOLRKHYAKGOA-LAUBAEHRSA-N 1 0 355.482 2.586 20 10 FFCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C(F)(F)F ZINC000877516409 1014609316 /nfs/dbraw/zinc/60/93/16/1014609316.db2.gz DXYRIHPAUHLLMF-CRAIPNDOSA-N 1 0 372.431 2.640 20 10 FFCDRO C[NH+](C)CCN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccn1 ZINC000877526222 1014614060 /nfs/dbraw/zinc/61/40/60/1014614060.db2.gz QPNQWUQYOPHRBX-UHFFFAOYSA-N 1 0 368.525 2.607 20 10 FFCDRO Cc1ccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(O)c1 ZINC000877555556 1014625704 /nfs/dbraw/zinc/62/57/04/1014625704.db2.gz VWRAWDMSGZKNDV-UHFFFAOYSA-N 1 0 355.394 2.567 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCN(c4cccc(F)n4)CC3)cc2)CC1 ZINC000877566522 1014628973 /nfs/dbraw/zinc/62/89/73/1014628973.db2.gz ZLUWGAOQKIYIGQ-UHFFFAOYSA-N 1 0 370.472 2.504 20 10 FFCDRO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877588541 1014636156 /nfs/dbraw/zinc/63/61/56/1014636156.db2.gz SAGCYXUMRJZPEX-VXKWHMMOSA-N 1 0 352.478 2.956 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3cccnc3N3CCCC3)cc2)CC1 ZINC000877623141 1014649522 /nfs/dbraw/zinc/64/95/22/1014649522.db2.gz JHUVTUHORLIXNT-UHFFFAOYSA-N 1 0 366.509 2.933 20 10 FFCDRO COc1c(C)cnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000877636549 1014655274 /nfs/dbraw/zinc/65/52/74/1014655274.db2.gz AVNNHUIRMDKQRO-UHFFFAOYSA-N 1 0 355.482 2.958 20 10 FFCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001545669032 980478810 /nfs/dbraw/zinc/47/88/10/980478810.db2.gz HADCYNOGJHGHCJ-SFHVURJKSA-N 1 0 372.440 2.950 20 10 FFCDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877697465 1014689873 /nfs/dbraw/zinc/68/98/73/1014689873.db2.gz NPBROSYYXWCIKX-QFIPXVFZSA-N 1 0 372.484 2.870 20 10 FFCDRO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000877765816 1014719213 /nfs/dbraw/zinc/71/92/13/1014719213.db2.gz QPJVGODGKFEOLX-OYRHEFFESA-N 1 0 354.494 2.746 20 10 FFCDRO CCOc1ccnc(N2CCC[N@H+](Cc3cc(C)cc(C)c3O)CC2)n1 ZINC000164530663 984376403 /nfs/dbraw/zinc/37/64/03/984376403.db2.gz OCHRTMZEJHLAAG-UHFFFAOYSA-N 1 0 356.470 2.910 20 10 FFCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N1CCOCC1 ZINC000165014574 984427275 /nfs/dbraw/zinc/42/72/75/984427275.db2.gz PEIXPCILHHQGMA-YLJYHZDGSA-N 1 0 359.514 2.965 20 10 FFCDRO C[NH+](C)[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000764424905 984485954 /nfs/dbraw/zinc/48/59/54/984485954.db2.gz IALLIKLQEJOZQV-NRFANRHFSA-N 1 0 367.493 2.832 20 10 FFCDRO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000764427177 984486640 /nfs/dbraw/zinc/48/66/40/984486640.db2.gz ONXVKRFLWKWHMS-NRFANRHFSA-N 1 0 371.525 2.937 20 10 FFCDRO C[C@H](CN1CCOCC1)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000046481057 984702963 /nfs/dbraw/zinc/70/29/63/984702963.db2.gz UNCPVKXTEDNZKW-GOSISDBHSA-N 1 0 374.529 2.539 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000765074744 984954550 /nfs/dbraw/zinc/95/45/50/984954550.db2.gz MTPWZCZLIFMUPY-SFHVURJKSA-N 1 0 367.497 2.713 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cncc(F)c1 ZINC000765253732 985005136 /nfs/dbraw/zinc/00/51/36/985005136.db2.gz LUPWBMNZPSESLY-HOCLYGCPSA-N 1 0 356.445 2.773 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COc3cccc(F)c3)CC2)cc1 ZINC000765288483 985020672 /nfs/dbraw/zinc/02/06/72/985020672.db2.gz JQPNWQPPCFIAOQ-IBGZPJMESA-N 1 0 374.456 2.833 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000765622151 985245837 /nfs/dbraw/zinc/24/58/37/985245837.db2.gz GMPFBLCZBGSGRN-SZNDQCEHSA-N 1 0 366.465 2.658 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+]Cc3ccnn3C3CCC3)cc2F)CC1 ZINC000921586835 985414028 /nfs/dbraw/zinc/41/40/28/985414028.db2.gz OFKTZBILMKQQOS-UHFFFAOYSA-N 1 0 358.461 2.998 20 10 FFCDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000186325534 985943557 /nfs/dbraw/zinc/94/35/57/985943557.db2.gz HEVQQYIZZCXJGV-UXHICEINSA-N 1 0 361.530 2.894 20 10 FFCDRO CC(C)Cn1cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000878831153 1015242209 /nfs/dbraw/zinc/24/22/09/1015242209.db2.gz AUUGAEINCUTIPF-UHFFFAOYSA-N 1 0 370.501 2.613 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001272865297 986772731 /nfs/dbraw/zinc/77/27/31/986772731.db2.gz VISZLPXMPOGFFL-SOFGYWHQSA-N 1 0 356.466 2.978 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000914254494 987403968 /nfs/dbraw/zinc/40/39/68/987403968.db2.gz KYUIPKYCUIVKSF-HXUWFJFHSA-N 1 0 374.529 2.585 20 10 FFCDRO CC(C)(C)c1cccc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c1O ZINC001143112081 987615873 /nfs/dbraw/zinc/61/58/73/987615873.db2.gz JJQZZPQOMQIVNW-UHFFFAOYSA-N 1 0 360.498 2.949 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc4C3)cc2)CC1 ZINC000765979461 988249559 /nfs/dbraw/zinc/24/95/59/988249559.db2.gz UHZDSOAULAEUAJ-FQEVSTJZSA-N 1 0 370.518 2.569 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cccc4c3OCC4)cc2)CC1 ZINC000922337367 988446724 /nfs/dbraw/zinc/44/67/24/988446724.db2.gz CFVGHHFGRGHNMC-UHFFFAOYSA-N 1 0 365.477 2.613 20 10 FFCDRO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)n1-c1ccccn1 ZINC000073744336 988870152 /nfs/dbraw/zinc/87/01/52/988870152.db2.gz RATCAVRVMUAJTB-SFHVURJKSA-N 1 0 370.497 2.576 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3ccsc3)CC2)cc1 ZINC000032765937 989756482 /nfs/dbraw/zinc/75/64/82/989756482.db2.gz SYHYFAKENQVWGQ-UHFFFAOYSA-N 1 0 373.522 2.628 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000766116560 990177842 /nfs/dbraw/zinc/17/78/42/990177842.db2.gz DMAJTZBIFOLTJM-TZMCWYRMSA-N 1 0 366.458 2.754 20 10 FFCDRO CC(C)c1nn(C)cc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879458060 1015545926 /nfs/dbraw/zinc/54/59/26/1015545926.db2.gz UHCLHJWVZBZHGN-UHFFFAOYSA-N 1 0 370.501 2.617 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C)(C)C3)cc2F)CC1 ZINC000074134315 990812580 /nfs/dbraw/zinc/81/25/80/990812580.db2.gz FCDZZVYQAJZWLS-UHFFFAOYSA-N 1 0 362.493 2.909 20 10 FFCDRO O=C(C[NH2+]Cc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(F)c1 ZINC000920957000 990942292 /nfs/dbraw/zinc/94/22/92/990942292.db2.gz PDJSGYQNXRWZAN-UHFFFAOYSA-N 1 0 361.392 2.530 20 10 FFCDRO COc1ccc(CNC(=O)CC[NH2+][C@@H](C)c2ccccc2O)c(OC)c1 ZINC000879650200 1015625167 /nfs/dbraw/zinc/62/51/67/1015625167.db2.gz OPXDWADBYZCLPT-AWEZNQCLSA-N 1 0 358.438 2.767 20 10 FFCDRO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651858 1015627035 /nfs/dbraw/zinc/62/70/35/1015627035.db2.gz NCCJYNZIOHXRQM-HOTGVXAUSA-N 1 0 369.465 2.803 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000179894815 991368956 /nfs/dbraw/zinc/36/89/56/991368956.db2.gz LBIYSRAVFVFSMU-LJQANCHMSA-N 1 0 359.514 2.604 20 10 FFCDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180750263 991544806 /nfs/dbraw/zinc/54/48/06/991544806.db2.gz LVCRLWCLIDNHMU-VQHVLOKHSA-N 1 0 365.433 2.573 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000182320109 992006894 /nfs/dbraw/zinc/00/68/94/992006894.db2.gz HASBJIFUDRCHRK-HNNXBMFYSA-N 1 0 354.450 2.899 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000182320914 992008434 /nfs/dbraw/zinc/00/84/34/992008434.db2.gz ZEESRWZHHNYBJB-CXAGYDPISA-N 1 0 356.422 2.691 20 10 FFCDRO Cc1ccc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c(O)c1O ZINC000182375410 992025363 /nfs/dbraw/zinc/02/53/63/992025363.db2.gz KTDDKUBTGRIRRM-UHFFFAOYSA-N 1 0 358.438 2.667 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2OC)c1 ZINC000182442933 992048486 /nfs/dbraw/zinc/04/84/86/992048486.db2.gz HCTTZVYSPOMTDT-KBPBESRZSA-N 1 0 358.438 2.937 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCOc2cccc(C)c2)c1 ZINC000182445419 992051505 /nfs/dbraw/zinc/05/15/05/992051505.db2.gz MBKUUJRWDOKFIS-OAHLLOKOSA-N 1 0 358.438 2.555 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000182467267 992062018 /nfs/dbraw/zinc/06/20/18/992062018.db2.gz VMUNIWYFLZFBPN-UONOGXRCSA-N 1 0 356.422 2.973 20 10 FFCDRO CCCCNC(=O)NC(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000070975572 992363857 /nfs/dbraw/zinc/36/38/57/992363857.db2.gz DRRQXADFRVUBTA-UHFFFAOYSA-N 1 0 359.426 2.613 20 10 FFCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1O ZINC000074265250 1015705359 /nfs/dbraw/zinc/70/53/59/1015705359.db2.gz LTUDPBWUZUJEIQ-GOSISDBHSA-N 1 0 369.465 2.865 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(OC)c3O)c2)CC1 ZINC000184280914 992715434 /nfs/dbraw/zinc/71/54/34/992715434.db2.gz HHXJREDFZVYQET-UHFFFAOYSA-N 1 0 355.438 2.795 20 10 FFCDRO CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3cc(F)ccc3O)c2)n1 ZINC000809762691 994606233 /nfs/dbraw/zinc/60/62/33/994606233.db2.gz XMTCYSQRWBLFIE-UHFFFAOYSA-N 1 0 370.384 2.783 20 10 FFCDRO COc1ccc(N2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000809941018 994644336 /nfs/dbraw/zinc/64/43/36/994644336.db2.gz VEPTVIRDKSFUJP-HXUWFJFHSA-N 1 0 363.477 2.556 20 10 FFCDRO COc1ccc(C[C@](C)(O)C[NH2+]Cc2c(O)cccc2OC)cc1OC ZINC000810174225 994723365 /nfs/dbraw/zinc/72/33/65/994723365.db2.gz QKARINMPHIOPHV-FQEVSTJZSA-N 1 0 361.438 2.501 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(C(=O)[O-])ccc1O ZINC001593303552 994734242 /nfs/dbraw/zinc/73/42/42/994734242.db2.gz GAEZWDHXHMOJFQ-KBXCAEBGSA-N 1 0 370.449 2.508 20 10 FFCDRO C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593303594 994736401 /nfs/dbraw/zinc/73/64/01/994736401.db2.gz HIBUHPVSERCUJB-HNNXBMFYSA-N 1 0 369.465 2.693 20 10 FFCDRO CN(C)c1ccc([C@H](CN[C@@H](c2cccs2)c2nc[nH]n2)[NH+](C)C)cc1 ZINC000903449640 1015896982 /nfs/dbraw/zinc/89/69/82/1015896982.db2.gz YXVPYHSWUMQMCA-WMZOPIPTSA-N 1 0 370.526 2.914 20 10 FFCDRO COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000811509802 995170601 /nfs/dbraw/zinc/17/06/01/995170601.db2.gz FHCMESPATBJOGR-UZLBHIALSA-N 1 0 357.450 2.934 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2C)cc1C ZINC001082680985 995267662 /nfs/dbraw/zinc/26/76/62/995267662.db2.gz MGFZFOIAGRFFTI-YLJYHZDGSA-N 1 0 367.493 2.968 20 10 FFCDRO C[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001133123441 995333073 /nfs/dbraw/zinc/33/30/73/995333073.db2.gz LXEYXXCLDYSDGA-FXAWDEMLSA-N 1 0 359.514 2.650 20 10 FFCDRO C[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001133123442 995333169 /nfs/dbraw/zinc/33/31/69/995333169.db2.gz LXEYXXCLDYSDGA-PXNSSMCTSA-N 1 0 359.514 2.650 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCCC[NH+]3CCCCC3)C2)cc1 ZINC000824144756 996801380 /nfs/dbraw/zinc/80/13/80/996801380.db2.gz GOWLAULFVDNLTC-SFHVURJKSA-N 1 0 374.529 2.697 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3C4CCC3CC4)cc2F)CC1 ZINC000730134355 996862929 /nfs/dbraw/zinc/86/29/29/996862929.db2.gz ZQUIGQANQKLYBD-UHFFFAOYSA-N 1 0 360.477 2.804 20 10 FFCDRO COc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000824900629 997127699 /nfs/dbraw/zinc/12/76/99/997127699.db2.gz CNVPIAMNRKEZOG-INIZCTEOSA-N 1 0 362.514 2.852 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000826845072 1016100274 /nfs/dbraw/zinc/10/02/74/1016100274.db2.gz DVKFLIPFDITGMW-BOLDSZDNSA-N 1 0 356.422 2.843 20 10 FFCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)N1c2ccccc2C[C@H]1C ZINC000825109971 997214592 /nfs/dbraw/zinc/21/45/92/997214592.db2.gz BTTSLUWNKBIRCE-CHWSQXEVSA-N 1 0 354.406 2.577 20 10 FFCDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000825129896 997224886 /nfs/dbraw/zinc/22/48/86/997224886.db2.gz HMLIHNSBBDMCRP-RDJZCZTQSA-N 1 0 363.458 2.557 20 10 FFCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000825164053 997252706 /nfs/dbraw/zinc/25/27/06/997252706.db2.gz ZWUCIUUJDVUQRP-AWEZNQCLSA-N 1 0 366.458 2.516 20 10 FFCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173927 997693556 /nfs/dbraw/zinc/69/35/56/997693556.db2.gz DSKDCOSRVMYGMB-LJQANCHMSA-N 1 0 361.530 2.536 20 10 FFCDRO C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000844177040 997694601 /nfs/dbraw/zinc/69/46/01/997694601.db2.gz YLQFLWWAAWPWSQ-KKSFZXQISA-N 1 0 353.466 2.575 20 10 FFCDRO COc1ccc([C@@H](C[NH3+])CN2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000844221292 997712039 /nfs/dbraw/zinc/71/20/39/997712039.db2.gz MGWVINMYQTVKKI-KRWDZBQOSA-N 1 0 373.472 2.707 20 10 FFCDRO COC1CCN(c2ccc(C[NH+]3CCC(Cn4cnnc4)CC3)cc2)CC1 ZINC000844411571 997871540 /nfs/dbraw/zinc/87/15/40/997871540.db2.gz FGTIAENEWWCTKO-UHFFFAOYSA-N 1 0 369.513 2.806 20 10 FFCDRO Oc1ccc(Br)cc1CNc1ccc(N2CC[NH2+]CC2)nc1 ZINC001171175000 998492090 /nfs/dbraw/zinc/49/20/90/998492090.db2.gz DPTMMSHYHATOMK-UHFFFAOYSA-N 1 0 363.259 2.571 20 10 FFCDRO CCOC[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)Cc2cnn(CC3CC3)c21 ZINC001144508675 998610213 /nfs/dbraw/zinc/61/02/13/998610213.db2.gz UWWFNQMYMPQJBX-HNNXBMFYSA-N 1 0 373.453 2.546 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cc(O)cc2O)C1 ZINC001144503704 998611813 /nfs/dbraw/zinc/61/18/13/998611813.db2.gz AQWBYKYRENJLDH-IBGZPJMESA-N 1 0 364.442 2.779 20 10 FFCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001144504301 998611959 /nfs/dbraw/zinc/61/19/59/998611959.db2.gz OOMXYJFVGLANJV-LBPRGKRZSA-N 1 0 352.431 2.635 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cn(C)nc2C)cc1C ZINC001085153970 999036500 /nfs/dbraw/zinc/03/65/00/999036500.db2.gz VZOWGOHSVFSDMS-RTBURBONSA-N 1 0 370.497 2.876 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2c[nH]nc2C)cc1C ZINC001085292184 999308252 /nfs/dbraw/zinc/30/82/52/999308252.db2.gz YJCVNDFARBBEQH-QZTJIDSGSA-N 1 0 356.470 2.866 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccnc(C)n2)cc1C ZINC001085427312 999503285 /nfs/dbraw/zinc/50/32/85/999503285.db2.gz XNLIAFOJKCADMT-QZTJIDSGSA-N 1 0 368.481 2.933 20 10 FFCDRO CCOc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1O ZINC000740005415 999657081 /nfs/dbraw/zinc/65/70/81/999657081.db2.gz BSGQZBXGEPRBSD-UXHICEINSA-N 1 0 370.493 2.764 20 10 FFCDRO OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000740007495 999657213 /nfs/dbraw/zinc/65/72/13/999657213.db2.gz SVURUYWMNBCUSD-RTWAWAEBSA-N 1 0 352.478 2.594 20 10 FFCDRO CCOC(=O)[C@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000741242705 999715384 /nfs/dbraw/zinc/71/53/84/999715384.db2.gz RIIBKCVEFRXPNK-GOSISDBHSA-N 1 0 359.422 2.781 20 10 FFCDRO Cc1cc(O)c(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C ZINC000742372408 999772466 /nfs/dbraw/zinc/77/24/66/999772466.db2.gz ZVGXFOBHDPLUEW-PZJWPPBQSA-N 1 0 354.494 2.982 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000743852858 999833487 /nfs/dbraw/zinc/83/34/87/999833487.db2.gz VIJIOJQIMVXKCE-PXNSSMCTSA-N 1 0 357.498 2.608 20 10 FFCDRO CCC[N@H+](CC)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000746107477 999949471 /nfs/dbraw/zinc/94/94/71/999949471.db2.gz IISVYTIHCHYAQT-HOTGVXAUSA-N 1 0 365.493 2.787 20 10 FFCDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000768197298 1000195003 /nfs/dbraw/zinc/19/50/03/1000195003.db2.gz HEYLYLHXPVLDEQ-WMZOPIPTSA-N 1 0 352.482 2.943 20 10 FFCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccc(-n3cncn3)cc2)cc1 ZINC000846053748 1000198231 /nfs/dbraw/zinc/19/82/31/1000198231.db2.gz XOBCXVZUSDSAEJ-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1O ZINC000846147385 1000209235 /nfs/dbraw/zinc/20/92/35/1000209235.db2.gz UNDDFDPMFGRGTD-IRXDYDNUSA-N 1 0 370.497 2.657 20 10 FFCDRO COc1ccc(N2CCC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000768440962 1000248518 /nfs/dbraw/zinc/24/85/18/1000248518.db2.gz BQKLDENJRPZZBH-FQEVSTJZSA-N 1 0 370.449 2.539 20 10 FFCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1Cn1cnc3ccccc31)[C@H](O)CO2 ZINC000768465922 1000263594 /nfs/dbraw/zinc/26/35/94/1000263594.db2.gz SOPSQZFSVAENPA-MGPUTAFESA-N 1 0 365.433 2.832 20 10 FFCDRO Cc1cccnc1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768532008 1000286167 /nfs/dbraw/zinc/28/61/67/1000286167.db2.gz GDNCSQIIEAIDMC-UHFFFAOYSA-N 1 0 364.493 2.852 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000768841217 1000366342 /nfs/dbraw/zinc/36/63/42/1000366342.db2.gz IFFGABADMXBYKK-HZPDHXFCSA-N 1 0 362.445 2.757 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000768884397 1000374763 /nfs/dbraw/zinc/37/47/63/1000374763.db2.gz GZBKHYSDAZBQTN-UHFFFAOYSA-N 1 0 354.450 2.786 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000769315071 1000490347 /nfs/dbraw/zinc/49/03/47/1000490347.db2.gz FLYZSZKIYCONIT-FQEVSTJZSA-N 1 0 359.514 2.746 20 10 FFCDRO CCN(CC)c1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000769382249 1000503780 /nfs/dbraw/zinc/50/37/80/1000503780.db2.gz WJTIVPWOCHIMPE-LJQANCHMSA-N 1 0 362.537 2.884 20 10 FFCDRO CCOc1ccc(O)c(C[N@H+](CCO)Cc2ccc(OC)cc2OC)c1 ZINC000769405506 1000508798 /nfs/dbraw/zinc/50/87/98/1000508798.db2.gz WWQIXWHHIRGQQR-UHFFFAOYSA-N 1 0 361.438 2.803 20 10 FFCDRO CCc1nc[nH]c1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086864884 1001283712 /nfs/dbraw/zinc/28/37/12/1001283712.db2.gz OIUZIHXMKFYXQT-DLBZAZTESA-N 1 0 370.497 2.977 20 10 FFCDRO Cc1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000788206822 1001772067 /nfs/dbraw/zinc/77/20/67/1001772067.db2.gz WOCROKORBCEGCU-QFIPXVFZSA-N 1 0 369.509 2.931 20 10 FFCDRO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774481937 1001925798 /nfs/dbraw/zinc/92/57/98/1001925798.db2.gz JELHKTFZKHBXKU-HUUCEWRRSA-N 1 0 368.481 2.790 20 10 FFCDRO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000774481934 1001926237 /nfs/dbraw/zinc/92/62/37/1001926237.db2.gz JELHKTFZKHBXKU-GJZGRUSLSA-N 1 0 368.481 2.790 20 10 FFCDRO COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205288644 1002464975 /nfs/dbraw/zinc/46/49/75/1002464975.db2.gz MSOFRUYMWIJNTP-MRXNPFEDSA-N 1 0 371.275 2.645 20 10 FFCDRO OCC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H]1CO ZINC001184363752 1002567811 /nfs/dbraw/zinc/56/78/11/1002567811.db2.gz BUMFOTCTBZVDFG-FGZHOGPDSA-N 1 0 366.505 2.672 20 10 FFCDRO COc1ccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(O)c1 ZINC000792833304 1003199247 /nfs/dbraw/zinc/19/92/47/1003199247.db2.gz XUJYQDYPGGODPL-IYBDPMFKSA-N 1 0 363.502 2.958 20 10 FFCDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(OC)cc1O)c1ccco1 ZINC000792939383 1003226278 /nfs/dbraw/zinc/22/62/78/1003226278.db2.gz JEAOHSURPFHSNH-INIZCTEOSA-N 1 0 361.442 2.876 20 10 FFCDRO COc1ccc(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c(O)c1 ZINC000792945291 1003228104 /nfs/dbraw/zinc/22/81/04/1003228104.db2.gz JCYUDZODBOZIAC-UHFFFAOYSA-N 1 0 361.417 2.601 20 10 FFCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCCOC1 ZINC000793087581 1003274313 /nfs/dbraw/zinc/27/43/13/1003274313.db2.gz ZHLKFULWWNKXIX-KRWDZBQOSA-N 1 0 374.403 2.973 20 10 FFCDRO COc1ccc(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(O)c1 ZINC000793177784 1003300084 /nfs/dbraw/zinc/30/00/84/1003300084.db2.gz NYKRJLHCISTULN-UHFFFAOYSA-N 1 0 357.454 2.504 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N(CC[NH3+])c2cccnc2)c1 ZINC001186849159 1003435083 /nfs/dbraw/zinc/43/50/83/1003435083.db2.gz IYJPIESSNIWOJH-UHFFFAOYSA-N 1 0 350.422 2.800 20 10 FFCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[C@H](C)O1 ZINC000867152769 1003652304 /nfs/dbraw/zinc/65/23/04/1003652304.db2.gz PSBFYSSEAOMUBY-WWMYMODYSA-N 1 0 371.525 2.648 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cnc(C)cn3)C2)cc1C ZINC001086637145 1004192753 /nfs/dbraw/zinc/19/27/53/1004192753.db2.gz SCAKUOPQUSJZIZ-ZWKOTPCHSA-N 1 0 368.481 2.790 20 10 FFCDRO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000775834112 1004571657 /nfs/dbraw/zinc/57/16/57/1004571657.db2.gz KLANBNPGSXVKCA-INIZCTEOSA-N 1 0 354.498 2.786 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)nn3C)C2)cc1C ZINC001086653217 1004633310 /nfs/dbraw/zinc/63/33/10/1004633310.db2.gz IOQDGTZJXZNMIH-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC000776216095 1005277045 /nfs/dbraw/zinc/27/70/45/1005277045.db2.gz MVFCARJYOZGKMZ-IERDGZPVSA-N 1 0 356.466 2.780 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCc3ccco3)cc2F)CC1 ZINC000106519559 1005326695 /nfs/dbraw/zinc/32/66/95/1005326695.db2.gz MPIPSUMSFSMQCN-UHFFFAOYSA-N 1 0 374.460 2.603 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@H]3CCOC3)C2)cc1C ZINC001488945987 1005383546 /nfs/dbraw/zinc/38/35/46/1005383546.db2.gz AYNGFQZNSVXUAS-IPMKNSEASA-N 1 0 360.498 2.805 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cncn4)c(F)c3)C2)cc1 ZINC000850345728 1005809260 /nfs/dbraw/zinc/80/92/60/1005809260.db2.gz IWAFVWJUQSYWNA-INIZCTEOSA-N 1 0 367.428 2.784 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CC(C)(C)[C@@]3(O)CCCOC3)CC2)cc1 ZINC000850400212 1005813436 /nfs/dbraw/zinc/81/34/36/1005813436.db2.gz BQYFMBWIGMEBKS-OAQYLSRUSA-N 1 0 362.514 2.821 20 10 FFCDRO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850753192 1005835934 /nfs/dbraw/zinc/83/59/34/1005835934.db2.gz ZHGWSDNCTZCARE-INIZCTEOSA-N 1 0 354.454 2.815 20 10 FFCDRO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850755172 1005836197 /nfs/dbraw/zinc/83/61/97/1005836197.db2.gz DELQDJXGFHWWRS-UHFFFAOYSA-N 1 0 368.481 2.737 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000850759191 1005837003 /nfs/dbraw/zinc/83/70/03/1005837003.db2.gz NKHXUSCLHIYDMB-BFUOFWGJSA-N 1 0 371.437 2.944 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000851641974 1005902088 /nfs/dbraw/zinc/90/20/88/1005902088.db2.gz RMHGIBKTOJYSNQ-HRAATJIYSA-N 1 0 365.477 2.872 20 10 FFCDRO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 ZINC000852455599 1006035708 /nfs/dbraw/zinc/03/57/08/1006035708.db2.gz UVPFNGLOAXHNSU-SFHVURJKSA-N 1 0 374.529 2.838 20 10 FFCDRO CC[NH2+]Cc1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000881351130 1006058035 /nfs/dbraw/zinc/05/80/35/1006058035.db2.gz NXBHKCDQYZKQPZ-UHFFFAOYSA-N 1 0 372.860 2.726 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c(s3)CC[NH2+]C4)C2)cc1 ZINC000852820368 1006198095 /nfs/dbraw/zinc/19/80/95/1006198095.db2.gz PSSLYLDFZCYFHJ-AWEZNQCLSA-N 1 0 371.506 2.659 20 10 FFCDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C)C1 ZINC000129531700 1006331829 /nfs/dbraw/zinc/33/18/29/1006331829.db2.gz SOBGOHCHZZAQAE-XLIONFOSSA-N 1 0 356.514 2.935 20 10 FFCDRO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1ccccc1O ZINC000111235066 1006362517 /nfs/dbraw/zinc/36/25/17/1006362517.db2.gz LIWVXYKCNSRXRB-DOTOQJQBSA-N 1 0 370.449 2.511 20 10 FFCDRO Cc1cc(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1N(C)C ZINC000815037125 1006501920 /nfs/dbraw/zinc/50/19/20/1006501920.db2.gz FKDBMCJORLORLT-SFHVURJKSA-N 1 0 372.557 2.626 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2nc(Cl)cs2)[NH+](C)C)cc1 ZINC001134881767 1006524605 /nfs/dbraw/zinc/52/46/05/1006524605.db2.gz GTQGMHAGTXPBBM-ZDUSSCGKSA-N 1 0 352.891 2.895 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@@H]1n1cccn1 ZINC000815167038 1006525207 /nfs/dbraw/zinc/52/52/07/1006525207.db2.gz OCNBYOKQWWAHBC-NJYVYQBISA-N 1 0 370.497 2.869 20 10 FFCDRO COC(=O)/C=C\c1ccc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000882964801 1006578944 /nfs/dbraw/zinc/57/89/44/1006578944.db2.gz OGAGHKOGKOPOCJ-ALCCZGGFSA-N 1 0 359.426 2.846 20 10 FFCDRO CC(C)[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)COc1ccccc1 ZINC000775199724 1006733862 /nfs/dbraw/zinc/73/38/62/1006733862.db2.gz JXMNCZKDBWQCAM-INIZCTEOSA-N 1 0 359.422 2.771 20 10 FFCDRO COc1ccc(N2CC[C@H](NC(=O)N3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000854301301 1006767872 /nfs/dbraw/zinc/76/78/72/1006767872.db2.gz NDEGBNZDZLWIHG-KRWDZBQOSA-N 1 0 372.513 2.544 20 10 FFCDRO Cc1cc(N)cc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000883577256 1006882353 /nfs/dbraw/zinc/88/23/53/1006882353.db2.gz HIBPXYFYTNBHEP-UHFFFAOYSA-N 1 0 353.470 2.651 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1C ZINC000748051702 1006941087 /nfs/dbraw/zinc/94/10/87/1006941087.db2.gz WNOQQHXFFQWKAH-IAGOWNOFSA-N 1 0 373.541 2.631 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)C(F)(F)F)cc2)CC1 ZINC000883677693 1006943347 /nfs/dbraw/zinc/94/33/47/1006943347.db2.gz UGJBDHUYJNSJON-UHFFFAOYSA-N 1 0 372.435 2.826 20 10 FFCDRO CCc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001086742141 1007043783 /nfs/dbraw/zinc/04/37/83/1007043783.db2.gz ZOPNFHJXBPJCCP-DLBZAZTESA-N 1 0 370.497 2.977 20 10 FFCDRO O=C1COc2ccc(C[NH2+]Cc3ccc(N4CCSCC4)cc3)cc2N1 ZINC000816536466 1007101872 /nfs/dbraw/zinc/10/18/72/1007101872.db2.gz YFVRFBQEOGQUAR-UHFFFAOYSA-N 1 0 369.490 2.861 20 10 FFCDRO COc1ccc2c(c1)CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C2 ZINC000884010874 1007138163 /nfs/dbraw/zinc/13/81/63/1007138163.db2.gz NRTBUBUTDRRJGG-GHTZIAJQSA-N 1 0 367.493 2.682 20 10 FFCDRO Cc1ncc2n1C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC2 ZINC000816922052 1007258164 /nfs/dbraw/zinc/25/81/64/1007258164.db2.gz PTJGKEMXKGRWOS-PKOBYXMFSA-N 1 0 369.465 2.667 20 10 FFCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000884203619 1007312328 /nfs/dbraw/zinc/31/23/28/1007312328.db2.gz ALZQMSSZDBYTNN-INIZCTEOSA-N 1 0 367.440 2.619 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)c1 ZINC000775372799 1007578122 /nfs/dbraw/zinc/57/81/22/1007578122.db2.gz JGDPJOMOTIYNJV-GFCCVEGCSA-N 1 0 360.458 2.721 20 10 FFCDRO C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000856211007 1007726695 /nfs/dbraw/zinc/72/66/95/1007726695.db2.gz VVZBPTYCXKWTOO-IXDOHACOSA-N 1 0 359.514 2.525 20 10 FFCDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccccc1-n1ccnn1 ZINC000817943494 1007821115 /nfs/dbraw/zinc/82/11/15/1007821115.db2.gz UQDFEULFHYWAQH-DNVCBOLYSA-N 1 0 350.470 2.684 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000817984136 1007837622 /nfs/dbraw/zinc/83/76/22/1007837622.db2.gz NYMZSVNZRPGQDG-JEWOCMGZSA-N 1 0 358.482 2.983 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000818117210 1007867230 /nfs/dbraw/zinc/86/72/30/1007867230.db2.gz WIFRRWNJFOZBNK-DYESRHJHSA-N 1 0 367.493 2.941 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc4nc(C)cc(C)n34)C2)cc1 ZINC000818219710 1007888107 /nfs/dbraw/zinc/88/81/07/1007888107.db2.gz CVEKSUXWQZXZBM-KRWDZBQOSA-N 1 0 365.481 2.971 20 10 FFCDRO C[C@H]1CC2(CN1C(=O)c1csc(Cc3ccc(N)cc3)n1)CC[NH2+]CC2 ZINC000818291721 1007896322 /nfs/dbraw/zinc/89/63/22/1007896322.db2.gz UJBPZUPEDDMQBA-AWEZNQCLSA-N 1 0 370.522 2.920 20 10 FFCDRO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818270009 1007907386 /nfs/dbraw/zinc/90/73/86/1007907386.db2.gz VNOHIZXVQJNVGX-KRWDZBQOSA-N 1 0 367.493 2.713 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000818655290 1007960425 /nfs/dbraw/zinc/96/04/25/1007960425.db2.gz KDHMGDBSHLWPBW-VQIMIIECSA-N 1 0 362.518 2.536 20 10 FFCDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)COCc1ccccc1 ZINC000818964417 1007980561 /nfs/dbraw/zinc/98/05/61/1007980561.db2.gz VRGYMNJJUHXIEM-OAQYLSRUSA-N 1 0 372.534 2.907 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)cc1 ZINC000819003100 1008006632 /nfs/dbraw/zinc/00/66/32/1008006632.db2.gz RWTNKAQEZDUTQD-UHFFFAOYSA-N 1 0 354.454 2.677 20 10 FFCDRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000819120982 1008047865 /nfs/dbraw/zinc/04/78/65/1008047865.db2.gz RYZPUIKFHGROLZ-RDJZCZTQSA-N 1 0 372.456 2.880 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]CCC(=O)Nc3cccnc3)C2)cc1 ZINC000819380695 1008128725 /nfs/dbraw/zinc/12/87/25/1008128725.db2.gz RPCWGMNBLSLACS-MRXNPFEDSA-N 1 0 354.454 2.535 20 10 FFCDRO CCC(CC)[C@H](CNC(=O)NCc1cc(C)ccc1O)[NH+]1CCOCC1 ZINC000858130241 1008307403 /nfs/dbraw/zinc/30/74/03/1008307403.db2.gz DENRMQUELCSNTM-SFHVURJKSA-N 1 0 363.502 2.637 20 10 FFCDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000858159830 1008313871 /nfs/dbraw/zinc/31/38/71/1008313871.db2.gz HOMWQZLXMJFDHM-ROUUACIJSA-N 1 0 374.529 2.615 20 10 FFCDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858284054 1008340345 /nfs/dbraw/zinc/34/03/45/1008340345.db2.gz WKBHJDMXDNCQQV-HXUWFJFHSA-N 1 0 369.440 2.579 20 10 FFCDRO CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(C(F)(F)F)cc1O ZINC000858468304 1008365288 /nfs/dbraw/zinc/36/52/88/1008365288.db2.gz CSSQWDORINGDBE-CABCVRRESA-N 1 0 373.419 2.792 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c(O)c1 ZINC000858564325 1008382665 /nfs/dbraw/zinc/38/26/65/1008382665.db2.gz KSQXBOOLEGPQHS-MJGOQNOKSA-N 1 0 355.482 2.956 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000886228798 1008606920 /nfs/dbraw/zinc/60/69/20/1008606920.db2.gz GDYMPZBWOQSRTM-IRXDYDNUSA-N 1 0 363.458 2.605 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1c([O-])cccc1F ZINC000886503736 1008705147 /nfs/dbraw/zinc/70/51/47/1008705147.db2.gz CBKWZABCLLPWRF-OAHLLOKOSA-N 1 0 371.456 2.770 20 10 FFCDRO C[C@]1(C[NH3+])CCCCN(Cc2ccc(I)cc2O)C1 ZINC001206564915 1032345889 /nfs/dbraw/zinc/34/58/89/1032345889.db2.gz RHGXKMYPYCYULI-OAHLLOKOSA-N 1 0 374.266 2.948 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCOCC1 ZINC000886747300 1008857539 /nfs/dbraw/zinc/85/75/39/1008857539.db2.gz PWYNQYRVRMPDGB-FQEVSTJZSA-N 1 0 359.514 2.683 20 10 FFCDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886748906 1008858626 /nfs/dbraw/zinc/85/86/26/1008858626.db2.gz CHDUXEQHVUOZQW-MRXNPFEDSA-N 1 0 352.482 2.943 20 10 FFCDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886749290 1008859841 /nfs/dbraw/zinc/85/98/41/1008859841.db2.gz OOFKRJJTSXLDHJ-FXAWDEMLSA-N 1 0 359.514 2.683 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cc2)CC1 ZINC000886751668 1008860693 /nfs/dbraw/zinc/86/06/93/1008860693.db2.gz YEKAVKBXJSZFOI-LEWJYISDSA-N 1 0 371.525 2.826 20 10 FFCDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCCOC1 ZINC000886916071 1008935783 /nfs/dbraw/zinc/93/57/83/1008935783.db2.gz NWFUUIKOVKXDEF-WIYYLYMNSA-N 1 0 362.514 2.833 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H]1CCc3c1cccc3F)cc2=O ZINC000886927672 1008940543 /nfs/dbraw/zinc/94/05/43/1008940543.db2.gz RYMOQEDOMMKSOI-MRXNPFEDSA-N 1 0 370.384 2.528 20 10 FFCDRO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823235319 1008959459 /nfs/dbraw/zinc/95/94/59/1008959459.db2.gz RBEAFTQZKBGSCM-IAGOWNOFSA-N 1 0 362.518 2.551 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000823253984 1008976239 /nfs/dbraw/zinc/97/62/39/1008976239.db2.gz XRFDPIXTVPIYJS-ZWKOTPCHSA-N 1 0 374.529 2.553 20 10 FFCDRO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823252099 1008995851 /nfs/dbraw/zinc/99/58/51/1008995851.db2.gz HJBGJDDSFWILHO-QGZVFWFLSA-N 1 0 362.518 2.553 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN[C@@H]3COc4cc(F)cc(F)c43)cc2)CC1 ZINC001178469393 1008999980 /nfs/dbraw/zinc/99/99/80/1008999980.db2.gz OAWYVNGYQBHBNT-GOSISDBHSA-N 1 0 359.420 2.940 20 10 FFCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@@H]1C ZINC000823726414 1009205371 /nfs/dbraw/zinc/20/53/71/1009205371.db2.gz TVQYWSHVKSSINY-OKZBNKHCSA-N 1 0 374.529 2.646 20 10 FFCDRO CCOc1cccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3O)CC2)n1 ZINC001180249580 1009613748 /nfs/dbraw/zinc/61/37/48/1009613748.db2.gz SBBFPBIYSRJDCT-UHFFFAOYSA-N 1 0 373.453 2.525 20 10 FFCDRO COc1cccc(C[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1O ZINC000862366293 1009810584 /nfs/dbraw/zinc/81/05/84/1009810584.db2.gz HVEMHYIECGGMHB-CQSZACIVSA-N 1 0 366.458 2.862 20 10 FFCDRO Cc1ccc(CN(C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000889662443 1010045813 /nfs/dbraw/zinc/04/58/13/1010045813.db2.gz DIBWAJIMXNBNQM-UHFFFAOYSA-N 1 0 356.470 2.681 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](c4ccco4)C3)cc2)CC1 ZINC000889669438 1010047587 /nfs/dbraw/zinc/04/75/87/1010047587.db2.gz JVZPIYRBKZEETE-GOSISDBHSA-N 1 0 368.481 2.731 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)c3cn(C)nc3C)C[C@H]2C)cc1C ZINC001093677171 1010459858 /nfs/dbraw/zinc/45/98/58/1010459858.db2.gz CLSRYHQIDIJEFY-CRAIPNDOSA-N 1 0 370.497 2.543 20 10 FFCDRO CNS(=O)(=O)c1ccc(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000865818559 1010869811 /nfs/dbraw/zinc/86/98/11/1010869811.db2.gz SBLXFWJDIWIEBU-SNAWJCMRSA-N 1 0 373.522 2.506 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(N(C)C)cc1 ZINC000866523573 1011010795 /nfs/dbraw/zinc/01/07/95/1011010795.db2.gz QZFGGJPUUAPNHF-HNNXBMFYSA-N 1 0 366.465 2.655 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1O ZINC000866577374 1011019507 /nfs/dbraw/zinc/01/95/07/1011019507.db2.gz NMKHXIRVZPINMJ-CQSZACIVSA-N 1 0 355.438 2.777 20 10 FFCDRO C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1O ZINC000868759440 1011460267 /nfs/dbraw/zinc/46/02/67/1011460267.db2.gz JOJBJTMAXOCVDX-HNNXBMFYSA-N 1 0 361.486 2.643 20 10 FFCDRO COCCC[NH+]1CCC(N2CCN(c3ccc(OC)cc3C)CC2)CC1 ZINC001172254768 1011731886 /nfs/dbraw/zinc/73/18/86/1011731886.db2.gz WKPCRWRXMBTSOC-UHFFFAOYSA-N 1 0 361.530 2.627 20 10 FFCDRO COc1cccc(C[NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)c1O ZINC000828043612 1032584651 /nfs/dbraw/zinc/58/46/51/1032584651.db2.gz AVSMLQAOBUHXKC-UHFFFAOYSA-N 1 0 352.394 2.619 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CN(CC2CCCC2)C(=O)CO3)c1 ZINC001275239052 1012122252 /nfs/dbraw/zinc/12/22/52/1012122252.db2.gz QIKAXRYFLPAWNI-NRFANRHFSA-N 1 0 358.482 2.694 20 10 FFCDRO Cc1ccc(O)c(CN2C[C@@]3(F)C(=O)N(CC4CCCC4)C[C@@]3(F)C2)c1 ZINC001275239385 1012132065 /nfs/dbraw/zinc/13/20/65/1012132065.db2.gz YOLYVOAYWYBAOU-VQTJNVASSA-N 1 0 364.436 2.965 20 10 FFCDRO CCOCCN1CCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1=O ZINC001275248094 1012137528 /nfs/dbraw/zinc/13/75/28/1012137528.db2.gz MABDZEWIJDHOBF-UHFFFAOYSA-N 1 0 366.889 2.897 20 10 FFCDRO COCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001275254325 1012145006 /nfs/dbraw/zinc/14/50/06/1012145006.db2.gz OMCWJYFSJLPXHB-SFHVURJKSA-N 1 0 352.862 2.649 20 10 FFCDRO COc1cccc2c1C[C@@H]([N@H+](C)Cc1ccc(N3CCOCC3)cc1)CO2 ZINC001173162773 1012312035 /nfs/dbraw/zinc/31/20/35/1012312035.db2.gz ZDQZSHKGAIPYTH-LJQANCHMSA-N 1 0 368.477 2.967 20 10 FFCDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccc(O)c(O)c2)c1F ZINC001173178178 1012321734 /nfs/dbraw/zinc/32/17/34/1012321734.db2.gz JOYKOTJTEINGFG-NSHDSACASA-N 1 0 364.373 2.917 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)c(O)c1 ZINC001275388676 1012412133 /nfs/dbraw/zinc/41/21/33/1012412133.db2.gz ULRHUKUKQWPLLS-RTBURBONSA-N 1 0 351.450 2.861 20 10 FFCDRO CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001275580113 1012641472 /nfs/dbraw/zinc/64/14/72/1012641472.db2.gz UPWBXLGTSPOSEC-UWJYYQICSA-N 1 0 352.434 2.546 20 10 FFCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](c3ccccc3)C1)cc2=O ZINC000123423032 1012662123 /nfs/dbraw/zinc/66/21/23/1012662123.db2.gz CAVILHIRXLNDJW-HNNXBMFYSA-N 1 0 366.421 2.601 20 10 FFCDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1Cc2cccc(O)c2C1 ZINC000871203241 1012782731 /nfs/dbraw/zinc/78/27/31/1012782731.db2.gz VEKJZZTXGTZVSI-UHFFFAOYSA-N 1 0 365.477 2.837 20 10 FFCDRO CN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001275673510 1012823146 /nfs/dbraw/zinc/82/31/46/1012823146.db2.gz ZQUXPTQVVMGWLB-RXVVDRJESA-N 1 0 352.434 2.546 20 10 FFCDRO CC[C@H](C)N1CCC2(CC[NH+](Cc3cc(O)c(O)c(OC)c3)CC2)C1=O ZINC001275676693 1012836303 /nfs/dbraw/zinc/83/63/03/1012836303.db2.gz RLOQZCUWFWHSKB-AWEZNQCLSA-N 1 0 362.470 2.719 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000827320932 1017629323 /nfs/dbraw/zinc/62/93/23/1017629323.db2.gz PVGPXGOBUUXSCQ-FQEVSTJZSA-N 1 0 367.518 2.743 20 10 FFCDRO C[C@H]([NH3+])[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000925485034 1017766072 /nfs/dbraw/zinc/76/60/72/1017766072.db2.gz KRHZMALWLCUSAO-LRQRDZAKSA-N 1 0 366.509 2.566 20 10 FFCDRO CC1(C)[C@@H](NCc2ccc(N3CCC(O)CC3)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504080 1017770868 /nfs/dbraw/zinc/77/08/68/1017770868.db2.gz PGMDHGLFVIDOAA-UXPWSPDFSA-N 1 0 361.505 2.653 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)C3(C[NH3+])CCCC3)cc2F)C[C@H](C)O1 ZINC000827363933 1017772779 /nfs/dbraw/zinc/77/27/79/1017772779.db2.gz AHORWHMGOUJMAQ-GASCZTMLSA-N 1 0 363.477 2.575 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CCCCCC[NH3+])cc2F)C[C@@H](C)O1 ZINC000827363956 1017773587 /nfs/dbraw/zinc/77/35/87/1017773587.db2.gz AYWSCCNLLRIIRP-HZPDHXFCSA-N 1 0 365.493 2.965 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000827459251 1018118581 /nfs/dbraw/zinc/11/85/81/1018118581.db2.gz YWJJRLGUITXWOY-UHFFFAOYSA-N 1 0 351.450 2.651 20 10 FFCDRO Cc1cc(C(=O)CN2CCC[C@H](CCO)C2)c(C)n1-c1ccc(F)cn1 ZINC000827689624 1018612461 /nfs/dbraw/zinc/61/24/61/1018612461.db2.gz DBTSNQZARLWYNT-MRXNPFEDSA-N 1 0 359.445 2.905 20 10 FFCDRO Cn1nc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000187386101 1019204665 /nfs/dbraw/zinc/20/46/65/1019204665.db2.gz ZNYNBMMYEQRYBY-UHFFFAOYSA-N 1 0 350.466 2.742 20 10 FFCDRO Oc1cc(I)ccc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222253965 1032853076 /nfs/dbraw/zinc/85/30/76/1032853076.db2.gz UBMZHOVKPJDXTC-HNNXBMFYSA-N 1 0 372.250 2.715 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1 ZINC000390535536 1019851145 /nfs/dbraw/zinc/85/11/45/1019851145.db2.gz KYEBESNPAPKDJE-MRXNPFEDSA-N 1 0 366.458 2.516 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cnn(C(F)F)c2)[NH+](C)C)cc1 ZINC000930663839 1020126321 /nfs/dbraw/zinc/12/63/21/1020126321.db2.gz QASPUEWNMXBXBO-OAHLLOKOSA-N 1 0 366.416 2.769 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+]Cc3cccc(OC)c3F)CC2)cc1 ZINC000800228748 1020128645 /nfs/dbraw/zinc/12/86/45/1020128645.db2.gz JORRSWMSDCKXOT-UHFFFAOYSA-N 1 0 373.472 2.755 20 10 FFCDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000800308834 1020204504 /nfs/dbraw/zinc/20/45/04/1020204504.db2.gz BINRDNQMNBFCLF-HKUYNNGSSA-N 1 0 374.506 2.867 20 10 FFCDRO CC(C)[NH+]1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000900125865 1020207905 /nfs/dbraw/zinc/20/79/05/1020207905.db2.gz YXMPUONRLPQAGR-UHFFFAOYSA-N 1 0 372.557 2.660 20 10 FFCDRO CN(C)c1ccc([C@@H](CN2C(=O)N[C@@H](c3cccs3)C2=O)[NH+](C)C)cc1 ZINC000900185010 1020248618 /nfs/dbraw/zinc/24/86/18/1020248618.db2.gz IQSTWEVEQNADPS-WBVHZDCISA-N 1 0 372.494 2.710 20 10 FFCDRO Oc1cc2c(cc1C[N@H+](Cc1ccc(-n3cncn3)cc1)C1CC1)OCO2 ZINC000802659870 1020302988 /nfs/dbraw/zinc/30/29/88/1020302988.db2.gz YLOUWGBQUAKMSL-UHFFFAOYSA-N 1 0 364.405 2.866 20 10 FFCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)C1 ZINC000800476543 1020345886 /nfs/dbraw/zinc/34/58/86/1020345886.db2.gz KQYGYSGGXOYSNW-QUCCMNQESA-N 1 0 371.525 2.827 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H]4[C@@H]3CCCN4CCO)c2c1 ZINC000902642120 1020363644 /nfs/dbraw/zinc/36/36/44/1020363644.db2.gz FFZOWTUYFXEUND-PMACEKPBSA-N 1 0 356.466 2.585 20 10 FFCDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000902759010 1020456653 /nfs/dbraw/zinc/45/66/53/1020456653.db2.gz MZPLKQLPSWYYNC-WSTZPKSXSA-N 1 0 359.514 2.826 20 10 FFCDRO OCC1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000902763832 1020459913 /nfs/dbraw/zinc/45/99/13/1020459913.db2.gz ZZNZAAWZLZHPJN-RTOMLYRKSA-N 1 0 356.510 2.798 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)nc2F)[NH+](C)C)cc1 ZINC000931534893 1020506813 /nfs/dbraw/zinc/50/68/13/1020506813.db2.gz ACADWTBDQFOSLL-HNNXBMFYSA-N 1 0 363.412 2.850 20 10 FFCDRO O=C1c2ccccc2C(=O)c2c(O[C@@H]3C[NH2+]CCC[C@H]3F)ccc(O)c21 ZINC001217980900 1032930941 /nfs/dbraw/zinc/93/09/41/1032930941.db2.gz NFKWIKQDOQCEBA-CZUORRHYSA-N 1 0 355.365 2.637 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)cc1 ZINC001098480394 1020949283 /nfs/dbraw/zinc/94/92/83/1020949283.db2.gz FOWPADFDHQVHGQ-ZACQAIPSSA-N 1 0 355.442 2.984 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc(Br)cc1O ZINC001116589635 1021298415 /nfs/dbraw/zinc/29/84/15/1021298415.db2.gz ZRADOZHQEUIUIU-SFYZADRCSA-N 1 0 369.181 2.872 20 10 FFCDRO COc1c(C)c(O[C@H]2CC[NH2+]C[C@H]2F)cc2c1C(=O)c1ccccc1C2=O ZINC001218073821 1032979713 /nfs/dbraw/zinc/97/97/13/1032979713.db2.gz WLUUPYCDPUFHDC-CVEARBPZSA-N 1 0 369.392 2.858 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3c(C)cncc3[N+](=O)[O-])cc2F)CC1 ZINC001117289631 1021640084 /nfs/dbraw/zinc/64/00/84/1021640084.db2.gz LORDMSRSNAMWRI-UHFFFAOYSA-N 1 0 373.432 2.613 20 10 FFCDRO COc1ccc(N2CCN(C(=O)C[N@H+]([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000042123293 1022140300 /nfs/dbraw/zinc/14/03/00/1022140300.db2.gz TZLHYJLCTVOLEM-INIZCTEOSA-N 1 0 357.498 2.607 20 10 FFCDRO Cc1cc(O)c(C[NH2+]Cc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1Cl ZINC001118634411 1022327179 /nfs/dbraw/zinc/32/71/79/1022327179.db2.gz NRYAVPLXTSHDKP-LJQANCHMSA-N 1 0 373.840 2.698 20 10 FFCDRO CCOC(=O)CC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159073464 1022616113 /nfs/dbraw/zinc/61/61/13/1022616113.db2.gz KGEKFJOZJNMEME-UHFFFAOYSA-N 1 0 364.461 2.828 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000752149027 1023082169 /nfs/dbraw/zinc/08/21/69/1023082169.db2.gz ODSZXOCSIBXATI-UHFFFAOYSA-N 1 0 373.541 2.850 20 10 FFCDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2F)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218322593 1033104902 /nfs/dbraw/zinc/10/49/02/1033104902.db2.gz PYLCEUJFFTYPKF-CJNGLKHVSA-N 1 0 355.365 2.555 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834438 1023158205 /nfs/dbraw/zinc/15/82/05/1023158205.db2.gz JQRSGSIQZADGBN-FQEVSTJZSA-N 1 0 372.557 2.519 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC001119987177 1023194904 /nfs/dbraw/zinc/19/49/04/1023194904.db2.gz LYYHFFHWEQUQRQ-AULYBMBSSA-N 1 0 350.415 2.514 20 10 FFCDRO CCC1(NC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000752843241 1023213415 /nfs/dbraw/zinc/21/34/15/1023213415.db2.gz ZPHCLDUTGQTZKO-UHFFFAOYSA-N 1 0 374.529 2.839 20 10 FFCDRO COCCN1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1=O ZINC000189283021 1023245131 /nfs/dbraw/zinc/24/51/31/1023245131.db2.gz WWIUGILZNANNSF-UHFFFAOYSA-N 1 0 372.465 2.698 20 10 FFCDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000779191832 1023326115 /nfs/dbraw/zinc/32/61/15/1023326115.db2.gz YNLPBOJZSZHJSF-CYBMUJFWSA-N 1 0 366.458 2.756 20 10 FFCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH+]3C4CCCC3CCC4)CC2)cc1 ZINC000754050728 1023418624 /nfs/dbraw/zinc/41/86/24/1023418624.db2.gz RCOYQHLMUXEMFM-XVAXZDLZSA-N 1 0 373.541 2.585 20 10 FFCDRO COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)cc1 ZINC000756480422 1023717327 /nfs/dbraw/zinc/71/73/27/1023717327.db2.gz WNHUXQDFPMIELY-LRDDRELGSA-N 1 0 358.413 2.994 20 10 FFCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000757793712 1023861591 /nfs/dbraw/zinc/86/15/91/1023861591.db2.gz AXOWRAIALRIWNC-FOIQADDNSA-N 1 0 356.514 2.909 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1ccon1 ZINC000757850825 1023874810 /nfs/dbraw/zinc/87/48/10/1023874810.db2.gz IENBBFCRPYXDNT-UHFFFAOYSA-N 1 0 355.442 2.528 20 10 FFCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000757865448 1023878401 /nfs/dbraw/zinc/87/84/01/1023878401.db2.gz MBFNHBWVTCFIAV-UHFFFAOYSA-N 1 0 357.454 2.674 20 10 FFCDRO Cn1cc(C[N@@H+]2CCCC23CCN(Cc2c(O)cccc2F)CC3)cn1 ZINC001137834642 1033168749 /nfs/dbraw/zinc/16/87/49/1033168749.db2.gz NYIIOFQXQDROLE-UHFFFAOYSA-N 1 0 358.461 2.895 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(F)cc3C)CC2)cc1 ZINC000758226675 1023977762 /nfs/dbraw/zinc/97/77/62/1023977762.db2.gz YUZZXJKSLFHCAJ-IBGZPJMESA-N 1 0 374.456 2.705 20 10 FFCDRO CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001122006130 1024258139 /nfs/dbraw/zinc/25/81/39/1024258139.db2.gz YLRGCWFTXHUPMD-QGZVFWFLSA-N 1 0 369.465 2.967 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([C@@H]2CCCC[NH2+]2)n1C ZINC001122005718 1024258379 /nfs/dbraw/zinc/25/83/79/1024258379.db2.gz RZICHDDVLVJUJA-INIZCTEOSA-N 1 0 368.481 2.945 20 10 FFCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(OC(F)(F)F)c1O)CC2 ZINC001276789025 1033202638 /nfs/dbraw/zinc/20/26/38/1033202638.db2.gz PAGLXQJSSURJEA-GFCCVEGCSA-N 1 0 358.360 2.639 20 10 FFCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000758847981 1024340718 /nfs/dbraw/zinc/34/07/18/1024340718.db2.gz SYOBORYUNFUKBW-IBGZPJMESA-N 1 0 374.529 2.539 20 10 FFCDRO Cc1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CO)C2)ccc1N(C)C ZINC001139669998 1024358526 /nfs/dbraw/zinc/35/85/26/1024358526.db2.gz UFRNMZBKFBNCQO-NRFANRHFSA-N 1 0 353.510 2.740 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[C@H](CC[NH3+])C3)ccc21 ZINC001122144744 1024381184 /nfs/dbraw/zinc/38/11/84/1024381184.db2.gz DQYGNIBKDLRNOM-RDTXWAMCSA-N 1 0 357.498 2.961 20 10 FFCDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000195195622 1024958140 /nfs/dbraw/zinc/95/81/40/1024958140.db2.gz RYISYXUGZGRMEQ-NRFANRHFSA-N 1 0 360.498 2.934 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ncc(C)cc3C)cc2F)CC1 ZINC000779905538 1025223430 /nfs/dbraw/zinc/22/34/30/1025223430.db2.gz MFYMBOCASRTODY-UHFFFAOYSA-N 1 0 370.472 2.909 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001141158276 1025537811 /nfs/dbraw/zinc/53/78/11/1025537811.db2.gz WQWPHCPWTILACF-UHFFFAOYSA-N 1 0 354.454 2.770 20 10 FFCDRO Oc1ccc(O)c(CN2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001141160110 1025542476 /nfs/dbraw/zinc/54/24/76/1025542476.db2.gz QDDBENDSVYHZNU-LPHOPBHVSA-N 1 0 358.413 2.574 20 10 FFCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)c1 ZINC001141159575 1025543366 /nfs/dbraw/zinc/54/33/66/1025543366.db2.gz HGFLANARMHHFIS-FXAWDEMLSA-N 1 0 356.422 2.695 20 10 FFCDRO Oc1ccc(O)c(C[NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)c1 ZINC001141160571 1025544809 /nfs/dbraw/zinc/54/48/09/1025544809.db2.gz ZJWTVSBWSPQREX-UHFFFAOYSA-N 1 0 354.454 2.770 20 10 FFCDRO CC[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[NH+](CC)CC ZINC000837709621 1025975907 /nfs/dbraw/zinc/97/59/07/1025975907.db2.gz KSHNKWDNJDVJPX-QGZVFWFLSA-N 1 0 369.456 2.538 20 10 FFCDRO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000837881156 1026082763 /nfs/dbraw/zinc/08/27/63/1026082763.db2.gz AIEFPZYYIYXGBN-QGZVFWFLSA-N 1 0 374.529 2.758 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)cc2F)CC1 ZINC000838334950 1026321071 /nfs/dbraw/zinc/32/10/71/1026321071.db2.gz BUDMYIVCZBOLJK-AOIWGVFYSA-N 1 0 374.504 2.955 20 10 FFCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000839613223 1026758029 /nfs/dbraw/zinc/75/80/29/1026758029.db2.gz HZTYTTOJFCVUBA-UXHICEINSA-N 1 0 371.525 2.650 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000840321811 1027048745 /nfs/dbraw/zinc/04/87/45/1027048745.db2.gz OUHWPGYVDHPAJQ-TWOQFEAHSA-N 1 0 358.530 2.774 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000795638104 1027342880 /nfs/dbraw/zinc/34/28/80/1027342880.db2.gz NDYOALMREFROJE-NRFANRHFSA-N 1 0 371.433 2.713 20 10 FFCDRO CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCN(c2ccccc2)C1=O ZINC000093362504 1027702132 /nfs/dbraw/zinc/70/21/32/1027702132.db2.gz ZDDGLKQAOSHNIU-INIZCTEOSA-N 1 0 354.406 2.748 20 10 FFCDRO Cc1nnc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nc1C ZINC001160623286 1027778839 /nfs/dbraw/zinc/77/88/39/1027778839.db2.gz JEENOALLNMMNBY-QZTJIDSGSA-N 1 0 351.410 2.753 20 10 FFCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001161532931 1028218838 /nfs/dbraw/zinc/21/88/38/1028218838.db2.gz ZTNTYZSLECSZMA-CJNGLKHVSA-N 1 0 371.403 2.622 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)[C@H]3CCCOC3)CC2)cc1 ZINC000780706146 1028776234 /nfs/dbraw/zinc/77/62/34/1028776234.db2.gz LPYSLAIDKWOJOK-OALUTQOASA-N 1 0 361.530 2.612 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)NCC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC000780831879 1028826883 /nfs/dbraw/zinc/82/68/83/1028826883.db2.gz PSIHIWOFSJNKMY-UHFFFAOYSA-N 1 0 374.529 2.695 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3cc(OC)ncc3F)CC2)cc1 ZINC001164334065 1029250012 /nfs/dbraw/zinc/25/00/12/1029250012.db2.gz KRNLSJNLXCHHAG-UHFFFAOYSA-N 1 0 374.460 2.862 20 10 FFCDRO COC(=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C ZINC001156656016 1029289976 /nfs/dbraw/zinc/28/99/76/1029289976.db2.gz LRSAGLULKFQMHY-UHFFFAOYSA-N 1 0 354.454 2.541 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3c[nH]c4ncnc(Cl)c34)cc2)CC1 ZINC001156656489 1029290937 /nfs/dbraw/zinc/29/09/37/1029290937.db2.gz WGFDCHOCMSBFID-UHFFFAOYSA-N 1 0 356.861 2.927 20 10 FFCDRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935749 1029934372 /nfs/dbraw/zinc/93/43/72/1029934372.db2.gz COAZUUBSGQRPTA-GOSISDBHSA-N 1 0 374.481 2.608 20 10 FFCDRO O=C([O-])C1CCC([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000840994654 1029965609 /nfs/dbraw/zinc/96/56/09/1029965609.db2.gz YIVXCPYZGDKVFI-UHFFFAOYSA-N 1 0 371.525 2.952 20 10 FFCDRO CC(=O)N(c1nc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1)C1CC1 ZINC000841042828 1029998692 /nfs/dbraw/zinc/99/86/92/1029998692.db2.gz LLAJMBFIFRPARL-GOSISDBHSA-N 1 0 373.526 2.514 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](CC(C)C)OC)cc2F)CC1 ZINC000841110164 1030044852 /nfs/dbraw/zinc/04/48/52/1030044852.db2.gz SMOSAJUCTDDPQP-LJQANCHMSA-N 1 0 365.493 2.645 20 10 FFCDRO [NH3+]CCOc1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000841288300 1030163638 /nfs/dbraw/zinc/16/36/38/1030163638.db2.gz PCGQSOOCRLLWNU-UHFFFAOYSA-N 1 0 355.438 2.930 20 10 FFCDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000841331121 1030202782 /nfs/dbraw/zinc/20/27/82/1030202782.db2.gz UYUNPBOPRPSYIO-UHFFFAOYSA-N 1 0 372.444 2.908 20 10 FFCDRO CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000697620058 1030304189 /nfs/dbraw/zinc/30/41/89/1030304189.db2.gz GUMUKPGDHFITMW-BXKDBHETSA-N 1 0 350.278 2.629 20 10 FFCDRO COc1cc(NCc2cc3c(cc2O)OCO3)ccc1OCC[NH+](C)C ZINC000841894275 1030524444 /nfs/dbraw/zinc/52/44/44/1030524444.db2.gz VBDPLVVEGFYLPB-UHFFFAOYSA-N 1 0 360.410 2.682 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000842013455 1030577479 /nfs/dbraw/zinc/57/74/79/1030577479.db2.gz ZPNILQSWJVCEHR-TVBYKBMUSA-N 1 0 373.497 2.915 20 10 FFCDRO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccccc1O)C2 ZINC001203552133 1030759204 /nfs/dbraw/zinc/75/92/04/1030759204.db2.gz BSXOOFQEAJAVBH-NRFANRHFSA-N 1 0 351.450 2.802 20 10 FFCDRO O=C(C[C@H]1OC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]21)NCc1ccco1 ZINC001203552561 1030764000 /nfs/dbraw/zinc/76/40/00/1030764000.db2.gz OFMXZHNVTVLQNS-YVWKXTFCSA-N 1 0 370.449 2.529 20 10 FFCDRO COc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c1O ZINC001203591544 1030775776 /nfs/dbraw/zinc/77/57/76/1030775776.db2.gz IKWMNCJTYMBPDA-HFSMHLIXSA-N 1 0 370.449 2.744 20 10 FFCDRO COc1cccc(C[NH+]2CCC3(CC2)CN(c2ccccn2)CCO3)c1O ZINC001203594388 1030778193 /nfs/dbraw/zinc/77/81/93/1030778193.db2.gz XXENHCYLKOEWJH-UHFFFAOYSA-N 1 0 369.465 2.667 20 10 FFCDRO COc1cccc(C[NH+]2CCN(C[C@H](OC)c3ccccc3)CC2)c1O ZINC001203600234 1030780675 /nfs/dbraw/zinc/78/06/75/1030780675.db2.gz YKKJSPNNGAYWCH-FQEVSTJZSA-N 1 0 356.466 2.906 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)c1O ZINC001203602949 1030781254 /nfs/dbraw/zinc/78/12/54/1030781254.db2.gz CWCOZMRYZFTGHY-RTBURBONSA-N 1 0 366.461 2.995 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c(OC)c1 ZINC001203601833 1030781390 /nfs/dbraw/zinc/78/13/90/1030781390.db2.gz NCPSZYTYEVDIMR-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Oc3nc(C)cc(OC)n3)C2)c1O ZINC001203616969 1030786301 /nfs/dbraw/zinc/78/63/01/1030786301.db2.gz CQILQIAKLPTPBV-HNNXBMFYSA-N 1 0 359.426 2.551 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c1 ZINC001203671547 1030819575 /nfs/dbraw/zinc/81/95/75/1030819575.db2.gz RFHNKMAPRWSDMI-INIZCTEOSA-N 1 0 357.454 2.673 20 10 FFCDRO CNC(=O)[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccc(F)cc1C ZINC000842721712 1030925836 /nfs/dbraw/zinc/92/58/36/1030925836.db2.gz JAKMOHJQXLPOHK-GOSISDBHSA-N 1 0 356.441 2.764 20 10 FFCDRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203876361 1030950680 /nfs/dbraw/zinc/95/06/80/1030950680.db2.gz BHVCEBOVEKFQJV-KRWDZBQOSA-N 1 0 352.434 2.594 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1 ZINC001203933832 1030993058 /nfs/dbraw/zinc/99/30/58/1030993058.db2.gz SCCRCQIBKVUISJ-MSOLQXFVSA-N 1 0 356.495 2.698 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccnc4[nH]ccc43)CC2)c(OC)c1 ZINC001142883594 1030994424 /nfs/dbraw/zinc/99/44/24/1030994424.db2.gz JMTVTZZWSMORKN-UHFFFAOYSA-N 1 0 352.438 2.902 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)cc1 ZINC001203936230 1030995869 /nfs/dbraw/zinc/99/58/69/1030995869.db2.gz KVZGCSQWOJORDF-FQEVSTJZSA-N 1 0 353.466 2.895 20 10 FFCDRO COc1ccc(N2C[C@]3(CC[N@H+](Cc4ccc(O)cc4O)C3)CC2=O)cc1 ZINC001204273806 1031203089 /nfs/dbraw/zinc/20/30/89/1031203089.db2.gz VPRUKIXLDMGUTN-OAQYLSRUSA-N 1 0 368.433 2.735 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1O ZINC001204335977 1031234995 /nfs/dbraw/zinc/23/49/95/1031234995.db2.gz DWLJBUKIIVRTLB-OAHLLOKOSA-N 1 0 362.239 2.850 20 10 FFCDRO Cn1cc(N2C[C@@H]3C[N@H+](Cc4cccc(C(C)(C)C)c4O)C[C@@H]3C2=O)cn1 ZINC001143108319 1031238972 /nfs/dbraw/zinc/23/89/72/1031238972.db2.gz NDGIKBYOJILVBW-RDJZCZTQSA-N 1 0 368.481 2.518 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000843350303 1031340575 /nfs/dbraw/zinc/34/05/75/1031340575.db2.gz MDFJWIYXUBAGON-UHFFFAOYSA-N 1 0 374.488 2.964 20 10 FFCDRO CN(CCCOc1ccccc1)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349955 1031341486 /nfs/dbraw/zinc/34/14/86/1031341486.db2.gz GKMBHBDHKQRGPL-UHFFFAOYSA-N 1 0 367.493 2.825 20 10 FFCDRO C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350866 1031343583 /nfs/dbraw/zinc/34/35/83/1031343583.db2.gz XLCILWRITUWGGQ-AWEZNQCLSA-N 1 0 373.447 2.924 20 10 FFCDRO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000843378464 1031366223 /nfs/dbraw/zinc/36/62/23/1031366223.db2.gz ZITTXLQOSXOAQM-GOSISDBHSA-N 1 0 358.413 2.889 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](CCO)Cc3ccccc3)cc2)CC1 ZINC000799351242 1031744049 /nfs/dbraw/zinc/74/40/49/1031744049.db2.gz JVGDRXRXKPEGEX-OAQYLSRUSA-N 1 0 353.510 2.522 20 10 FFCDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000799350313 1031745185 /nfs/dbraw/zinc/74/51/85/1031745185.db2.gz SGHHVPOJTFIQMS-IBGZPJMESA-N 1 0 358.457 2.746 20 10 FFCDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001205509012 1031799583 /nfs/dbraw/zinc/79/95/83/1031799583.db2.gz BHIXVUOBLMUUEP-MRXNPFEDSA-N 1 0 360.841 2.815 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)ccc1N1CCCCC1 ZINC000830027948 1033432846 /nfs/dbraw/zinc/43/28/46/1033432846.db2.gz CNNHRDKWEHSQPX-HXUWFJFHSA-N 1 0 369.513 2.906 20 10 FFCDRO CC(=O)[C@H](C)[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276900845 1033498622 /nfs/dbraw/zinc/49/86/22/1033498622.db2.gz NNSDPLVNMNAPNL-KKSFZXQISA-N 1 0 357.498 2.687 20 10 FFCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001219653307 1033733707 /nfs/dbraw/zinc/73/37/07/1033733707.db2.gz CLTRXVMCDIISFT-KBPBESRZSA-N 1 0 358.511 2.852 20 10 FFCDRO Cc1c(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc(-c2ccccc2)n1-c1ccccc1 ZINC001219720565 1033787196 /nfs/dbraw/zinc/78/71/96/1033787196.db2.gz MXCRRLARDQIUDI-VQTJNVASSA-N 1 0 361.445 2.909 20 10 FFCDRO Cc1c(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C2)c2ccccc2n1C ZINC001138252411 1034023345 /nfs/dbraw/zinc/02/33/45/1034023345.db2.gz GMLWCABNYZVMKR-CVEARBPZSA-N 1 0 373.497 2.947 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000831308044 1034028673 /nfs/dbraw/zinc/02/86/73/1034028673.db2.gz HOUHVNFRIMMCHM-RBUKOAKNSA-N 1 0 359.514 2.648 20 10 FFCDRO Cc1c(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2CO)c2ccccc2n1C ZINC001138259828 1034029768 /nfs/dbraw/zinc/02/97/68/1034029768.db2.gz ONZDFFDITBBNGW-JKSUJKDBSA-N 1 0 373.497 2.947 20 10 FFCDRO CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000831560875 1034125497 /nfs/dbraw/zinc/12/54/97/1034125497.db2.gz HBZFGJGKSAWUNH-CTNGQTDRSA-N 1 0 371.525 2.650 20 10 FFCDRO COC(=O)CC1CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138339174 1034169814 /nfs/dbraw/zinc/16/98/14/1034169814.db2.gz AUCSNSQFBNJMOU-UHFFFAOYSA-N 1 0 358.482 2.866 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCN(c4nccc(Cl)n4)CC3)ccc21 ZINC001138355715 1034193231 /nfs/dbraw/zinc/19/32/31/1034193231.db2.gz ABYUYECWUCNFSQ-UHFFFAOYSA-N 1 0 357.889 2.835 20 10 FFCDRO CN1CCCc2cc(C[NH+]3CCC(NC(=O)c4cccnc4)CC3)ccc21 ZINC001138359361 1034196904 /nfs/dbraw/zinc/19/69/04/1034196904.db2.gz SCNUMAMKRIJRTJ-UHFFFAOYSA-N 1 0 364.493 2.858 20 10 FFCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(OC)c1 ZINC001138389901 1034224413 /nfs/dbraw/zinc/22/44/13/1034224413.db2.gz TYBOSMJKWUNCEM-OYRHEFFESA-N 1 0 373.541 2.836 20 10 FFCDRO CCN(CC)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC001138389642 1034224948 /nfs/dbraw/zinc/22/49/48/1034224948.db2.gz RMOZRMUWNUKFIT-UHFFFAOYSA-N 1 0 361.530 2.838 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(OC)c1 ZINC001138391577 1034227014 /nfs/dbraw/zinc/22/70/14/1034227014.db2.gz GCSHIIWSPVOAFT-QFBILLFUSA-N 1 0 359.514 2.984 20 10 FFCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)NCCN(C)CC[NH3+])c2)cc1 ZINC001220517252 1034235115 /nfs/dbraw/zinc/23/51/15/1034235115.db2.gz CXPULTUTYCWJFJ-UHFFFAOYSA-N 1 0 368.485 2.788 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000831748479 1034256612 /nfs/dbraw/zinc/25/66/12/1034256612.db2.gz DDZBFYDUIZLPNZ-FVJLSDCUSA-N 1 0 367.493 2.974 20 10 FFCDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497547 1034337054 /nfs/dbraw/zinc/33/70/54/1034337054.db2.gz IVCAVEKPUQSBBZ-OAQYLSRUSA-N 1 0 357.498 2.500 20 10 FFCDRO c1ccc(C[NH+]2CC3(CN(Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC001138498743 1034338447 /nfs/dbraw/zinc/33/84/47/1034338447.db2.gz CAZIRDOZJMZMIP-UHFFFAOYSA-N 1 0 363.505 2.841 20 10 FFCDRO COC1CC[NH+](Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138676017 1034535748 /nfs/dbraw/zinc/53/57/48/1034535748.db2.gz VMABFJPJYMBSMD-UHFFFAOYSA-N 1 0 369.303 2.897 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCn2cnc3ccccc32)cc1 ZINC000832273320 1034696439 /nfs/dbraw/zinc/69/64/39/1034696439.db2.gz NICOUBTWMFUAEK-SFHVURJKSA-N 1 0 365.481 2.699 20 10 FFCDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1c(O)c(O)c(O)c(O)c1O ZINC001226468909 1034699012 /nfs/dbraw/zinc/69/90/12/1034699012.db2.gz QEXRXVNZBVJBAO-WCQYABFASA-N 1 0 361.394 2.504 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)cc[nH+]1 ZINC001139133614 1034963017 /nfs/dbraw/zinc/96/30/17/1034963017.db2.gz JLCCAVXDPNGCMB-UHFFFAOYSA-N 1 0 365.433 2.833 20 10 FFCDRO COc1cc2c(cc1OC)CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139411477 1035095163 /nfs/dbraw/zinc/09/51/63/1035095163.db2.gz NZTDGCNMCRHKCM-UHFFFAOYSA-N 1 0 367.493 2.971 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)ccc1N(C)C ZINC001139670400 1035193082 /nfs/dbraw/zinc/19/30/82/1035193082.db2.gz MFJVYOFAWNPDIY-NHCUHLMSSA-N 1 0 364.493 2.831 20 10 FFCDRO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000833566554 1035212068 /nfs/dbraw/zinc/21/20/68/1035212068.db2.gz YFJNYJBKYSMJOK-SFHVURJKSA-N 1 0 373.472 2.810 20 10 FFCDRO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001140054688 1035323661 /nfs/dbraw/zinc/32/36/61/1035323661.db2.gz WNLAAVRWALHOCP-QKNQBKEWSA-N 1 0 371.456 2.648 20 10 FFCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001140055404 1035324587 /nfs/dbraw/zinc/32/45/87/1035324587.db2.gz VXZDWZNEGRRJNU-ZDUSSCGKSA-N 1 0 368.206 2.737 20 10 FFCDRO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cc(F)ccc4O)CC[N@@H+]3C2)n1 ZINC001140063517 1035327612 /nfs/dbraw/zinc/32/76/12/1035327612.db2.gz QUVIPCNXXPQGJG-WOJBJXKFSA-N 1 0 371.456 2.710 20 10 FFCDRO CCN1CC[C@@]2(C[N@H+](Cc3c(O)cccc3Br)C[C@@H]2C)C1=O ZINC001140099294 1035341879 /nfs/dbraw/zinc/34/18/79/1035341879.db2.gz ATVVSSMNJPNXAY-SJCJKPOMSA-N 1 0 367.287 2.845 20 10 FFCDRO CC[NH+](CC)C[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC001140101904 1035342222 /nfs/dbraw/zinc/34/22/22/1035342222.db2.gz DAZUHQYVZUIOKB-CYBMUJFWSA-N 1 0 357.292 2.697 20 10 FFCDRO COc1ccc(C(=O)N2CC[NH+](Cc3c(C)ccc(C)c3O)CC2)cc1 ZINC001140184989 1035372195 /nfs/dbraw/zinc/37/21/95/1035372195.db2.gz NGDOMXOINQQDRJ-UHFFFAOYSA-N 1 0 354.450 2.976 20 10 FFCDRO COc1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccncn4)C3)C2)cc1 ZINC001140343147 1035446294 /nfs/dbraw/zinc/44/62/94/1035446294.db2.gz AHCLBMIUDGUMNF-NRFANRHFSA-N 1 0 368.481 2.604 20 10 FFCDRO O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140345547 1035446859 /nfs/dbraw/zinc/44/68/59/1035446859.db2.gz WERWCBCEXKECSB-UZLBHIALSA-N 1 0 371.868 2.969 20 10 FFCDRO CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140466401 1035485377 /nfs/dbraw/zinc/48/53/77/1035485377.db2.gz DDTFZCJNRXPWOX-BEFAXECRSA-N 1 0 366.889 2.656 20 10 FFCDRO Cc1cnc2n1CCN(C)C21CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465545 1035485456 /nfs/dbraw/zinc/48/54/56/1035485456.db2.gz PSXUFPZSSKFIHS-UHFFFAOYSA-N 1 0 360.889 2.987 20 10 FFCDRO CCN1C(=O)[C@]2(CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4O)C[C@@H]32)N=C1C ZINC001140465795 1035485581 /nfs/dbraw/zinc/48/55/81/1035485581.db2.gz VLFMEPGDHIVDJA-ACWOFJMJSA-N 1 0 361.873 2.907 20 10 FFCDRO CS(=O)(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140468270 1035486062 /nfs/dbraw/zinc/48/60/62/1035486062.db2.gz DFDICSZNHOOSLN-UHFFFAOYSA-N 1 0 372.918 2.683 20 10 FFCDRO CN(C)c1ccc(/C=C/CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 ZINC000835026642 1035490367 /nfs/dbraw/zinc/49/03/67/1035490367.db2.gz WSAVNILSBPCPHH-GZNAHNRGSA-N 1 0 371.525 2.869 20 10 FFCDRO COc1cc(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)ccc1OCCO ZINC000835037897 1035491572 /nfs/dbraw/zinc/49/15/72/1035491572.db2.gz YVPGKTOVLICFTK-PLNGDYQASA-N 1 0 356.466 2.935 20 10 FFCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C2)O1 ZINC001232201993 1035498003 /nfs/dbraw/zinc/49/80/03/1035498003.db2.gz SFMFXXYCTCJZSU-LJQANCHMSA-N 1 0 364.873 2.848 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(CC(F)(F)F)C3=O)C2)c(O)c1 ZINC001277204743 1035530515 /nfs/dbraw/zinc/53/05/15/1035530515.db2.gz VYICYMJMTQDTAU-KRWDZBQOSA-N 1 0 356.388 2.996 20 10 FFCDRO CN(C)C(=O)N1CCCC12CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232260574 1035531511 /nfs/dbraw/zinc/53/15/11/1035531511.db2.gz ZKWYZOVCVANTIX-UHFFFAOYSA-N 1 0 367.877 2.863 20 10 FFCDRO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)c(C)cc1O ZINC001277211839 1035565911 /nfs/dbraw/zinc/56/59/11/1035565911.db2.gz BCYPXCIQLCCQNJ-IAGOWNOFSA-N 1 0 366.889 2.956 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)F ZINC001277212232 1035568292 /nfs/dbraw/zinc/56/82/92/1035568292.db2.gz GDXAGUURBVFHTB-HZPDHXFCSA-N 1 0 367.440 2.592 20 10 FFCDRO O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1ccc2ccccc2c1O ZINC001277222887 1035625251 /nfs/dbraw/zinc/62/52/51/1035625251.db2.gz PIDNMPBYDMORAV-NRFANRHFSA-N 1 0 352.434 2.511 20 10 FFCDRO COC(=O)c1c(C[NH+]2CCC(N3CCCC3=O)CC2)c2ccccc2n1C ZINC001232405221 1035653643 /nfs/dbraw/zinc/65/36/43/1035653643.db2.gz IMRUNLXPKATVJK-UHFFFAOYSA-N 1 0 369.465 2.552 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c1 ZINC001140619313 1035740778 /nfs/dbraw/zinc/74/07/78/1035740778.db2.gz ANGVPVRNDKIOSM-NRFANRHFSA-N 1 0 353.466 2.967 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001140619806 1035742114 /nfs/dbraw/zinc/74/21/14/1035742114.db2.gz PDGUPXQOHMAQOQ-FUHWJXTLSA-N 1 0 362.470 2.768 20 10 FFCDRO CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140620381 1035746711 /nfs/dbraw/zinc/74/67/11/1035746711.db2.gz MDPVMKDHRNOWHV-SFHVURJKSA-N 1 0 360.498 2.798 20 10 FFCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001140622207 1035747780 /nfs/dbraw/zinc/74/77/80/1035747780.db2.gz XYEURJNNTDIHLI-TUNNFDKTSA-N 1 0 367.493 2.817 20 10 FFCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1 ZINC001140623562 1035751419 /nfs/dbraw/zinc/75/14/19/1035751419.db2.gz VGJLPKKFRCTZRE-ICSRJNTNSA-N 1 0 364.445 2.850 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001140660527 1035811904 /nfs/dbraw/zinc/81/19/04/1035811904.db2.gz UZPRPJIXLXLEQQ-UHFFFAOYSA-N 1 0 370.472 2.770 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001140664667 1035819804 /nfs/dbraw/zinc/81/98/04/1035819804.db2.gz OBENPYCXBQGCOM-INIZCTEOSA-N 1 0 352.425 2.755 20 10 FFCDRO Cc1c(O)ccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c1O ZINC001140748012 1036044335 /nfs/dbraw/zinc/04/43/35/1036044335.db2.gz RDBSZNOYDOUQIP-LJQANCHMSA-N 1 0 356.466 2.739 20 10 FFCDRO Cc1c(O)ccc(CN2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1O ZINC001140748630 1036048297 /nfs/dbraw/zinc/04/82/97/1036048297.db2.gz OXFZULTWGJOSFU-IEBWSBKVSA-N 1 0 372.440 2.883 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001232835716 1036087523 /nfs/dbraw/zinc/08/75/23/1036087523.db2.gz GGLHCZZECJENBW-WMLDXEAASA-N 1 0 361.486 2.899 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(CC4CC4)C3=O)C2)c(O)c1 ZINC001232839708 1036095956 /nfs/dbraw/zinc/09/59/56/1036095956.db2.gz VGNTZROUOBNQFC-NRFANRHFSA-N 1 0 357.498 2.683 20 10 FFCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001232974455 1036204811 /nfs/dbraw/zinc/20/48/11/1036204811.db2.gz OLKLUWOEURDYCV-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/39/64/83/1036396483.db2.gz VXYCQEVCNKTYSQ-CYBMUJFWSA-N 1 0 355.276 2.832 20 10 FFCDRO O=C1NC[C@H](c2ccccc2)[C@]12CC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233333054 1036539493 /nfs/dbraw/zinc/53/94/93/1036539493.db2.gz IDDLEDCCQZKFDJ-FOIQADDNSA-N 1 0 358.388 2.776 20 10 FFCDRO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@H]3C2)c(O)c1 ZINC001140951976 1036557774 /nfs/dbraw/zinc/55/77/74/1036557774.db2.gz AJZSSLDGWVFALE-MJGOQNOKSA-N 1 0 354.425 2.930 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001233483440 1036650625 /nfs/dbraw/zinc/65/06/25/1036650625.db2.gz ZECVOBGAGKPMHE-BFUOFWGJSA-N 1 0 364.442 2.683 20 10 FFCDRO Oc1cc(O)c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1O ZINC001233485816 1036653500 /nfs/dbraw/zinc/65/35/00/1036653500.db2.gz LJUZRVJIRSHOLQ-OAQYLSRUSA-N 1 0 354.450 2.901 20 10 FFCDRO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(O)c(O)cc4O)C3)CC2=O)s1 ZINC001233484521 1036653903 /nfs/dbraw/zinc/65/39/03/1036653903.db2.gz NMAANKNTSCPLKT-LJQANCHMSA-N 1 0 374.462 2.802 20 10 FFCDRO CC1(C)[N@H+](Cc2cc(O)c(O)cc2O)CC[C@]12c1ccccc1OC2=O ZINC001233487110 1036655225 /nfs/dbraw/zinc/65/52/25/1036655225.db2.gz QFFBQNGUJXATOC-HXUWFJFHSA-N 1 0 355.390 2.645 20 10 FFCDRO CN1CCC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3O)CC2)C1=O ZINC001233768693 1036752600 /nfs/dbraw/zinc/75/26/00/1036752600.db2.gz WUOZQAGOWSAVGU-UHFFFAOYSA-N 1 0 358.360 2.735 20 10 FFCDRO COc1cc(O)c(C[NH+]2CC(CN(C)C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC001141026357 1036757011 /nfs/dbraw/zinc/75/70/11/1036757011.db2.gz NHFQNFRQEAEVIE-UHFFFAOYSA-N 1 0 366.458 2.708 20 10 FFCDRO COCCCC[NH+]1CCN(Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233776071 1036759070 /nfs/dbraw/zinc/75/90/70/1036759070.db2.gz JIYFVXDCSWGYHX-UHFFFAOYSA-N 1 0 362.392 2.835 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(OC)c1 ZINC001141028259 1036765336 /nfs/dbraw/zinc/76/53/36/1036765336.db2.gz HOWDBXQBCLHOHR-UHFFFAOYSA-N 1 0 362.470 2.634 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3c(O)cc(OC)cc3OC)CC2)c1 ZINC001141032207 1036778544 /nfs/dbraw/zinc/77/85/44/1036778544.db2.gz VQIOSAHRFAKTGX-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)c(OC)c1 ZINC001141032948 1036779259 /nfs/dbraw/zinc/77/92/59/1036779259.db2.gz UQMCTCRKOFANJX-UHFFFAOYSA-N 1 0 364.486 2.926 20 10 FFCDRO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(O)cc(OC)cc1OC)C2 ZINC001141034391 1036790605 /nfs/dbraw/zinc/79/06/05/1036790605.db2.gz BSWUKSNGZHGCSA-YWZLYKJASA-N 1 0 365.470 2.817 20 10 FFCDRO CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(CC)cc1O)C2 ZINC001277826069 1036877031 /nfs/dbraw/zinc/87/70/31/1036877031.db2.gz IMTXNIBXZQVDNI-OAQYLSRUSA-N 1 0 360.498 2.806 20 10 FFCDRO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)cc(OC)c2O)C1=O ZINC001277421714 1036910885 /nfs/dbraw/zinc/91/08/85/1036910885.db2.gz GZNWSSOTIGNGJQ-VBKZILBWSA-N 1 0 362.470 2.775 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c(O)c1 ZINC001277833723 1036934411 /nfs/dbraw/zinc/93/44/11/1036934411.db2.gz MWEQQALZQWRMAR-HUUCEWRRSA-N 1 0 372.387 2.837 20 10 FFCDRO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](Oc4ncccn4)C3)c2c1 ZINC001234569421 1037093788 /nfs/dbraw/zinc/09/37/88/1037093788.db2.gz NHNWWTZYZKHEAR-INIZCTEOSA-N 1 0 351.406 2.997 20 10 FFCDRO COCC[N@@H+](Cc1c(O)cccc1Br)CC1CC[NH+](C)CC1 ZINC001207076672 1037126130 /nfs/dbraw/zinc/12/61/30/1037126130.db2.gz VBQJUMBQRUJANA-UHFFFAOYSA-N 1 0 371.319 2.945 20 10 FFCDRO CCCCN(CCCC)c1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235060706 1037334899 /nfs/dbraw/zinc/33/48/99/1037334899.db2.gz GIFJHZVZRHVNLQ-JOCHJYFZSA-N 1 0 374.573 2.936 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN2CC[NH2+][C@H](C(C)C)C2)c(O)c1 ZINC001235479134 1037577270 /nfs/dbraw/zinc/57/72/70/1037577270.db2.gz NEMXMEGNYPTHJD-SFHVURJKSA-N 1 0 364.486 2.544 20 10 FFCDRO COc1ccc(Br)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC001231553014 1037674645 /nfs/dbraw/zinc/67/46/45/1037674645.db2.gz OVJXDRDWORRUPY-LBPRGKRZSA-N 1 0 355.276 2.833 20 10 FFCDRO CCC[NH+]1C[C@@H]2CN(Cc3c(Br)ccc(OC)c3O)C[C@H]2C1 ZINC001231555440 1037679448 /nfs/dbraw/zinc/67/94/48/1037679448.db2.gz MYRILPHVVCHAEF-CHWSQXEVSA-N 1 0 369.303 2.937 20 10 FFCDRO Cc1cccc(CO[C@H]2C[C@@H]3C[N@H+](Cc4cccc(C)c4O)CCN3C2)n1 ZINC001231592849 1037712351 /nfs/dbraw/zinc/71/23/51/1037712351.db2.gz VGYBTRCPBVYOSU-RTWAWAEBSA-N 1 0 367.493 2.879 20 10 FFCDRO CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c(O)c1 ZINC001277967501 1037736430 /nfs/dbraw/zinc/73/64/30/1037736430.db2.gz VKOBZUFIKCXTHH-HNNXBMFYSA-N 1 0 368.424 2.774 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c(O)cc1O ZINC001231633668 1037751379 /nfs/dbraw/zinc/75/13/79/1037751379.db2.gz RXBLCWIIWGAQNH-TZMCWYRMSA-N 1 0 364.442 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c(O)cc1O ZINC001231633001 1037752193 /nfs/dbraw/zinc/75/21/93/1037752193.db2.gz HNKLYVDWNKLEES-UHFFFAOYSA-N 1 0 364.442 2.549 20 10 FFCDRO COCCCN(Cc1cc(Br)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC001235808583 1037759070 /nfs/dbraw/zinc/75/90/70/1037759070.db2.gz VOHOOKWOUOHCKQ-OAHLLOKOSA-N 1 0 357.292 2.745 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)c(O)cc1O ZINC001231639696 1037761102 /nfs/dbraw/zinc/76/11/02/1037761102.db2.gz ZOSQNKYPGKFZFN-OAQYLSRUSA-N 1 0 369.417 2.948 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c(O)c1 ZINC001231844105 1037940572 /nfs/dbraw/zinc/94/05/72/1037940572.db2.gz HZJDEVNJUGMKCC-RTBURBONSA-N 1 0 351.450 2.779 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c(O)c1 ZINC001231843752 1037941484 /nfs/dbraw/zinc/94/14/84/1037941484.db2.gz AKIOZDGQCSQGJJ-QKNQBKEWSA-N 1 0 361.482 2.651 20 10 FFCDRO Cc1cc(C)c(CN2CCCn3c(Cn4cccc4)nnc3C2)c(O)c1 ZINC001231845162 1037943599 /nfs/dbraw/zinc/94/35/99/1037943599.db2.gz WPLRBKURKIHEPL-UHFFFAOYSA-N 1 0 351.454 2.856 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c(O)c1 ZINC001231845388 1037943929 /nfs/dbraw/zinc/94/39/29/1037943929.db2.gz ZVEINLJNBIXNGD-NQIIRXRSSA-N 1 0 371.481 2.656 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC001231851214 1037949012 /nfs/dbraw/zinc/94/90/12/1037949012.db2.gz AAQAXNOARHBRQS-GDIGMMSISA-N 1 0 372.469 2.805 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001231854330 1037950908 /nfs/dbraw/zinc/95/09/08/1037950908.db2.gz CRSWIPHHOBJENI-NVXWUHKLSA-N 1 0 361.486 2.812 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001231853613 1037950970 /nfs/dbraw/zinc/95/09/70/1037950970.db2.gz YHXYOPVSCZDKDZ-JOCHJYFZSA-N 1 0 365.477 2.881 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001231853682 1037951430 /nfs/dbraw/zinc/95/14/30/1037951430.db2.gz ZNYFSRTUKQIQSW-CTNGQTDRSA-N 1 0 360.498 2.921 20 10 FFCDRO COc1cc(N(C)C)ccc1CN1CC[NH+](CCc2ccncc2)CC1 ZINC001231853624 1037952053 /nfs/dbraw/zinc/95/20/53/1037952053.db2.gz MWKLWHDOTQKKNJ-UHFFFAOYSA-N 1 0 354.498 2.517 20 10 FFCDRO Oc1cc(OCc2ccccc2)ccc1CN1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001236166176 1037960630 /nfs/dbraw/zinc/96/06/30/1037960630.db2.gz PJKFLBYUXREATL-NRFANRHFSA-N 1 0 368.477 2.660 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)CC[C@H]21 ZINC001231867472 1037965031 /nfs/dbraw/zinc/96/50/31/1037965031.db2.gz KXXNALYCOQAVEQ-AEFFLSMTSA-N 1 0 352.862 2.566 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC001231878266 1037970001 /nfs/dbraw/zinc/97/00/01/1037970001.db2.gz HTMAYEDRCVSENN-UXHICEINSA-N 1 0 354.450 2.757 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H]3[C@@H](C)CNCC3(F)F)CC2)c(C)c1 ZINC001236368930 1038061463 /nfs/dbraw/zinc/06/14/63/1038061463.db2.gz WMPZGWYYEYPGKT-RDJZCZTQSA-N 1 0 353.457 2.616 20 10 FFCDRO COCCOc1ccc(N2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001255683397 1038126387 /nfs/dbraw/zinc/12/63/87/1038126387.db2.gz OCAVLTSKTOIWOL-WCRBZPEASA-N 1 0 373.541 2.849 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN(C[C@H]3CCC[NH2+]C3)C3CC3)c(F)c2)CC1 ZINC001236602483 1038149474 /nfs/dbraw/zinc/14/94/74/1038149474.db2.gz WHDRMYNKDRJVSB-KRWDZBQOSA-N 1 0 360.521 2.542 20 10 FFCDRO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)cc1Br ZINC001236745486 1038232515 /nfs/dbraw/zinc/23/25/15/1038232515.db2.gz DRRSFTRVOIOFFI-CYBMUJFWSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(O)c(C[N@@H+]2CCCN(c3ccc(F)cn3)CC2)cc1OC ZINC001236749416 1038232661 /nfs/dbraw/zinc/23/26/61/1038232661.db2.gz DHUZOHBTNGRFOF-UHFFFAOYSA-N 1 0 361.417 2.656 20 10 FFCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(OC)c(Br)cc3O)C[C@H]2C1 ZINC001236749467 1038232678 /nfs/dbraw/zinc/23/26/78/1038232678.db2.gz CKOBRELSEUVMTQ-OKILXGFUSA-N 1 0 369.303 2.937 20 10 FFCDRO COc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC001236751041 1038236739 /nfs/dbraw/zinc/23/67/39/1038236739.db2.gz BIGNNOCHYHQIFN-OAHLLOKOSA-N 1 0 374.437 2.856 20 10 FFCDRO COc1cc(O)c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1OC ZINC001236752973 1038237743 /nfs/dbraw/zinc/23/77/43/1038237743.db2.gz ZIDYDBLMWMDYFI-UHFFFAOYSA-N 1 0 354.450 2.727 20 10 FFCDRO C[N@@H+]1CCN(Cc2cc(O)c(Br)cc2O)C2(CCCC2)C1 ZINC001236763494 1038247478 /nfs/dbraw/zinc/24/74/78/1038247478.db2.gz AJKDOYCMSTVDSA-UHFFFAOYSA-N 1 0 355.276 2.921 20 10 FFCDRO Oc1cc(CN2CC[NH+](C3CCCC3)CC2)c(O)cc1Br ZINC001236774489 1038260211 /nfs/dbraw/zinc/26/02/11/1038260211.db2.gz DRTTVSMIOHGRCB-UHFFFAOYSA-N 1 0 355.276 2.921 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001236788821 1038271856 /nfs/dbraw/zinc/27/18/56/1038271856.db2.gz QVTIYHWKXXUZAE-DOTOQJQBSA-N 1 0 350.459 2.679 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)c([O-])c1Cl ZINC001236805378 1038279611 /nfs/dbraw/zinc/27/96/11/1038279611.db2.gz ZTHNUPQZCLJWDL-CYBMUJFWSA-N 1 0 352.862 2.745 20 10 FFCDRO COc1cc(C)c(C[NH+]2CC3(C2)CCN(Cc2cccnc2)C3)c(O)c1 ZINC001236808011 1038281364 /nfs/dbraw/zinc/28/13/64/1038281364.db2.gz JSUAFFGACQWDHY-UHFFFAOYSA-N 1 0 353.466 2.812 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H](O)C1 ZINC001236826087 1038293690 /nfs/dbraw/zinc/29/36/90/1038293690.db2.gz GLIVHEMMWUQCHR-GOSISDBHSA-N 1 0 372.465 2.959 20 10 FFCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236928654 1038359624 /nfs/dbraw/zinc/35/96/24/1038359624.db2.gz AMYGKMRQEUAGET-CQSZACIVSA-N 1 0 352.862 2.562 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)[C@H]4CCCC[C@H]43)c(F)c2)CC1 ZINC001236933410 1038365957 /nfs/dbraw/zinc/36/59/57/1038365957.db2.gz WQINNLUOJRYNJN-AZUAARDMSA-N 1 0 359.489 2.911 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)C(=O)NC[C@H]3c2ccccc2)c(O)c1 ZINC001237044235 1038419834 /nfs/dbraw/zinc/41/98/34/1038419834.db2.gz XGOSUXKGROQMSN-UGKGYDQZSA-N 1 0 366.461 2.897 20 10 FFCDRO O=C(NC1CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1)C1CC1 ZINC001237111900 1038446630 /nfs/dbraw/zinc/44/66/30/1038446630.db2.gz VFTHNAHGMVEGBG-UHFFFAOYSA-N 1 0 358.360 2.781 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CC3(CN(CCCC(F)(F)F)C3)C2)c(O)c1 ZINC001278924322 1038458617 /nfs/dbraw/zinc/45/86/17/1038458617.db2.gz XQSYWXPYCRFWIH-UHFFFAOYSA-N 1 0 357.420 2.918 20 10 FFCDRO C[N@H+](CC1=CS[C@H](N)N1C(=O)OC(C)(C)C)Cc1ccccc1O ZINC001208665312 1038478822 /nfs/dbraw/zinc/47/88/22/1038478822.db2.gz UNIQLYSZXIPSEH-OAHLLOKOSA-N 1 0 351.472 2.892 20 10 FFCDRO COc1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4c[nH]nc4C)C3)C2)cc1 ZINC001209552499 1038979486 /nfs/dbraw/zinc/97/94/86/1038979486.db2.gz HPOATEBOLPFBMM-OAQYLSRUSA-N 1 0 370.497 2.846 20 10 FFCDRO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC001251742474 1039282327 /nfs/dbraw/zinc/28/23/27/1039282327.db2.gz FYMXWSFBCRIWDN-HNNXBMFYSA-N 1 0 366.255 2.993 20 10 FFCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246793601 1039483017 /nfs/dbraw/zinc/48/30/17/1039483017.db2.gz UVVPYOQPRCDDQL-MOPGFXCFSA-N 1 0 359.514 2.791 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(CC(=O)C(C)(C)C)C3=O)C2)c1O ZINC001276683255 1039516101 /nfs/dbraw/zinc/51/61/01/1039516101.db2.gz IMNXNWLDBKSOBN-OAQYLSRUSA-N 1 0 358.482 2.740 20 10 FFCDRO FC(F)(F)Oc1ccc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246998492 1039569483 /nfs/dbraw/zinc/56/94/83/1039569483.db2.gz XPJRBCGYMQPNSS-MIFYACCESA-N 1 0 355.404 2.990 20 10 FFCDRO COc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001252730230 1039673335 /nfs/dbraw/zinc/67/33/35/1039673335.db2.gz LFQMTDWGQFORSZ-LJQANCHMSA-N 1 0 356.466 2.825 20 10 FFCDRO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001278687820 1039801138 /nfs/dbraw/zinc/80/11/38/1039801138.db2.gz YMPGSIMCZVGSCC-UHFFFAOYSA-N 1 0 353.514 2.595 20 10 FFCDRO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4c(O)cccc4Cl)[C@@H]3C2)n(C)n1 ZINC001278490922 1039878860 /nfs/dbraw/zinc/87/88/60/1039878860.db2.gz LUIVOWIHBSRQTO-KBXCAEBGSA-N 1 0 360.889 2.794 20 10 FFCDRO COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC)c(C)c2)cc1 ZINC001253070188 1039961515 /nfs/dbraw/zinc/96/15/15/1039961515.db2.gz FLSHSTNKZDPXFA-IBGZPJMESA-N 1 0 359.466 2.722 20 10 FFCDRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C)cc3)CC2)c(C)c1 ZINC001253831160 1040396919 /nfs/dbraw/zinc/39/69/19/1040396919.db2.gz VXVGTDCSHGWORS-IBGZPJMESA-N 1 0 370.493 2.874 20 10 FFCDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001254018097 1040521074 /nfs/dbraw/zinc/52/10/74/1040521074.db2.gz DBSPLCMABASLJF-IBGZPJMESA-N 1 0 371.504 2.820 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)c(O)c1 ZINC001249201213 1040624854 /nfs/dbraw/zinc/62/48/54/1040624854.db2.gz KONSSFSWGFMCBZ-IBGZPJMESA-N 1 0 355.434 2.899 20 10 FFCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)c(O)c1 ZINC001249207778 1040628174 /nfs/dbraw/zinc/62/81/74/1040628174.db2.gz IUOUJRJOXOYUOR-UHFFFAOYSA-N 1 0 359.422 2.757 20 10 FFCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)c(O)c1 ZINC001249217669 1040632697 /nfs/dbraw/zinc/63/26/97/1040632697.db2.gz QZCYUSFMJXZSQR-GOSISDBHSA-N 1 0 356.422 2.546 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001254729967 1040914552 /nfs/dbraw/zinc/91/45/52/1040914552.db2.gz OWRRRTDWPGQBCG-VGWCWKRBSA-N 1 0 357.454 2.559 20 10 FFCDRO CCOC(=O)CCCOc1ccc(C[N@H+](CC)CC(C)(C)O)c(O)c1 ZINC001249735262 1040966894 /nfs/dbraw/zinc/96/68/94/1040966894.db2.gz HPPCCJPEZFBKIV-UHFFFAOYSA-N 1 0 353.459 2.707 20 10 FFCDRO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([N@@H+]1CCc3cccc(O)c3C1)CCO2 ZINC001254829673 1040989981 /nfs/dbraw/zinc/98/99/81/1040989981.db2.gz RYRZUDIYXFWCLF-INIZCTEOSA-N 1 0 374.481 2.919 20 10 FFCDRO O=C(CCc1ccc[nH]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001278551008 1041110176 /nfs/dbraw/zinc/11/01/76/1041110176.db2.gz BHPSZKVNVZZKQK-YQQQUEKLSA-N 1 0 353.466 2.965 20 10 FFCDRO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)NC(C)C)CC[C@@H]3C2)c(O)c1 ZINC001278565682 1041191455 /nfs/dbraw/zinc/19/14/55/1041191455.db2.gz RZSNIWBLKJUELI-IYBDPMFKSA-N 1 0 361.486 2.663 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001261506232 1041280481 /nfs/dbraw/zinc/28/04/81/1041280481.db2.gz LWJNIIFSLGBKKE-UHFFFAOYSA-N 1 0 352.438 2.860 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001262569414 1041726959 /nfs/dbraw/zinc/72/69/59/1041726959.db2.gz YBBBGRQTEAILRW-NRFANRHFSA-N 1 0 372.513 2.592 20 10 FFCDRO Cc1cncc(/C=C/C(=O)N2C[C@H](C[C@@H]3COCC[NH2+]3)c3ccccc32)c1 ZINC001263228883 1042185868 /nfs/dbraw/zinc/18/58/68/1042185868.db2.gz YAHKJKMAQKPBFN-HMTUNPETSA-N 1 0 363.461 2.912 20 10 FFCDRO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001279149815 1042920413 /nfs/dbraw/zinc/92/04/13/1042920413.db2.gz LWIOLQACOIXCJZ-AZUAARDMSA-N 1 0 353.514 2.675 20 10 FFCDRO COC1(CC(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)ccc2O)CCC1 ZINC001279192435 1042940692 /nfs/dbraw/zinc/94/06/92/1042940692.db2.gz MSLLHIAPPLHWET-IRXDYDNUSA-N 1 0 362.445 2.666 20 10 FFCDRO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001279221753 1042950864 /nfs/dbraw/zinc/95/08/64/1042950864.db2.gz YKAFPYZTFBQTLJ-ZIFCJYIRSA-N 1 0 354.450 2.795 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NCC(F)(F)F)c1O ZINC001279235506 1042959243 /nfs/dbraw/zinc/95/92/43/1042959243.db2.gz PRJBTCDGTUWFFR-GJZGRUSLSA-N 1 0 371.403 2.930 20 10 FFCDRO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3cccc(C)c3O)C[C@H](C1)O2 ZINC001279291014 1042986495 /nfs/dbraw/zinc/98/64/95/1042986495.db2.gz WMKBTHDISULIKN-CALCHBBNSA-N 1 0 359.495 2.551 20 10 FFCDRO [O-]c1cccc(F)c1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001279422139 1043095518 /nfs/dbraw/zinc/09/55/18/1043095518.db2.gz YLTOKXSQCHFRDV-UXHICEINSA-N 1 0 358.461 2.953 20 10 FFCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(=O)[nH]2)c(O)c1 ZINC001279432499 1043106183 /nfs/dbraw/zinc/10/61/83/1043106183.db2.gz KDBJPAUPAIBLRJ-HDICACEKSA-N 1 0 353.466 2.958 20 10 FFCDRO COC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3C)CC2)cn1 ZINC001237439885 1043164608 /nfs/dbraw/zinc/16/46/08/1043164608.db2.gz BSOPLLWBQKQMAH-UHFFFAOYSA-N 1 0 355.438 2.507 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001237486274 1043197996 /nfs/dbraw/zinc/19/79/96/1043197996.db2.gz PNRVMHQQLODQSL-UHFFFAOYSA-N 1 0 366.465 2.619 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001237486354 1043198749 /nfs/dbraw/zinc/19/87/49/1043198749.db2.gz RAFMJPDSXOKGLP-QFBILLFUSA-N 1 0 354.425 2.930 20 10 FFCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001237487576 1043200293 /nfs/dbraw/zinc/20/02/93/1043200293.db2.gz BNZQNSAREOMJQT-CABCVRRESA-N 1 0 357.479 2.751 20 10 FFCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4OCCN(C5CCCC5)[C@H]4C3)ccc21 ZINC001279551165 1043245805 /nfs/dbraw/zinc/24/58/05/1043245805.db2.gz KDAIGJFBFUGOLG-VXKWHMMOSA-N 1 0 355.526 2.897 20 10 FFCDRO CC(C)NC(=O)N1CCC2(C[NH+](Cc3ccc4c(c3)CCCN4C)C2)C1 ZINC001279552111 1043246978 /nfs/dbraw/zinc/24/69/78/1043246978.db2.gz YKAXUDSWLWYTRL-UHFFFAOYSA-N 1 0 356.514 2.695 20 10 FFCDRO c1cc(N2CCOCC2)ccc1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001279581072 1043288893 /nfs/dbraw/zinc/28/88/93/1043288893.db2.gz TVERCDOEGPIIIV-UHFFFAOYSA-N 1 0 355.526 2.974 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237676509 1043305626 /nfs/dbraw/zinc/30/56/26/1043305626.db2.gz PDWSIXYPPQUGOD-CYBMUJFWSA-N 1 0 351.443 2.963 20 10 FFCDRO COc1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(O)c(OC)c1 ZINC001237679061 1043307548 /nfs/dbraw/zinc/30/75/48/1043307548.db2.gz SWLUSMNHOKYKGT-UHFFFAOYSA-N 1 0 363.845 2.780 20 10 FFCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)c(C)cc3O)C[C@@H]21 ZINC001237681844 1043307590 /nfs/dbraw/zinc/30/75/90/1043307590.db2.gz LUFWWFFVIMLXDN-JYAVWHMHSA-N 1 0 354.244 2.704 20 10 FFCDRO COc1cc(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c(O)c(OC)c1 ZINC001237682270 1043309185 /nfs/dbraw/zinc/30/91/85/1043309185.db2.gz XPYDDIAEGOLBSW-UHFFFAOYSA-N 1 0 350.459 2.631 20 10 FFCDRO Cc1cc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)cc1Br ZINC001237683502 1043309520 /nfs/dbraw/zinc/30/95/20/1043309520.db2.gz BPTVUPUBXRAOHX-UHFFFAOYSA-N 1 0 354.244 2.992 20 10 FFCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)cc1Br ZINC001237685043 1043310960 /nfs/dbraw/zinc/31/09/60/1043310960.db2.gz NBMQGWHSAKHLGN-DOMZBBRYSA-N 1 0 367.287 2.906 20 10 FFCDRO CCOc1ccc(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001279671673 1043441706 /nfs/dbraw/zinc/44/17/06/1043441706.db2.gz YSIUUYFSGRYCNL-UHFFFAOYSA-N 1 0 356.470 2.612 20 10 FFCDRO COC(=O)c1ccc(CN2CCN(Cc3cc(F)cc(C)c3O)CC2)cc1 ZINC001238061301 1043508479 /nfs/dbraw/zinc/50/84/79/1043508479.db2.gz GCTTXJDVFGHGAG-UHFFFAOYSA-N 1 0 372.440 2.944 20 10 FFCDRO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2)N1CCCCO1 ZINC001279726280 1043536968 /nfs/dbraw/zinc/53/69/68/1043536968.db2.gz JEZDCRSIXNZVNU-OXJNMPFZSA-N 1 0 360.454 2.644 20 10 FFCDRO CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCC3([NH3+])CC3)cc2)cc1 ZINC001238449980 1043711435 /nfs/dbraw/zinc/71/14/35/1043711435.db2.gz VMAHXOWKFALJKL-QURGRASLSA-N 1 0 373.482 2.938 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@H]2CC23C[NH+](Cc2cc(Cl)ccc2O)C3)C[C@@H](C)O1 ZINC001279983156 1044034029 /nfs/dbraw/zinc/03/40/29/1044034029.db2.gz FEOJQPILEOOKOZ-XJKCOSOUSA-N 1 0 364.873 2.503 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH2+]CC2)cc1)N[C@H]1CCCc2ccccc21 ZINC001239222679 1044074601 /nfs/dbraw/zinc/07/46/01/1044074601.db2.gz HOMODLXIAULCCE-NRFANRHFSA-N 1 0 364.493 2.973 20 10 FFCDRO CCOC[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001312631928 1044147400 /nfs/dbraw/zinc/14/74/00/1044147400.db2.gz LQHVPQKBPRXHMU-MOPGFXCFSA-N 1 0 364.534 2.716 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCC2(F)F)[NH+](C)C)cc1 ZINC001312818998 1044176770 /nfs/dbraw/zinc/17/67/70/1044176770.db2.gz SCBYNIOALQANFQ-HOTGVXAUSA-N 1 0 354.445 2.842 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCOC3(CCCC3)C2)[NH+](C)C)cc1 ZINC001313419778 1044350068 /nfs/dbraw/zinc/35/00/68/1044350068.db2.gz UDCAIXMSVFERSG-IBGZPJMESA-N 1 0 374.529 2.710 20 10 FFCDRO O=C(N1CC=CC1)C12CC([NH2+]Cc3c(O)cccc3Br)(C1)C2 ZINC001280312928 1044589264 /nfs/dbraw/zinc/58/92/64/1044589264.db2.gz IXFDOWKJLGHNGW-UHFFFAOYSA-N 1 0 363.255 2.565 20 10 FFCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000725850250 1044673961 /nfs/dbraw/zinc/67/39/61/1044673961.db2.gz UURIKAQRSYDXGS-GJZGRUSLSA-N 1 0 362.474 2.978 20 10 FFCDRO CO[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccccc1 ZINC001539234018 1070593278 /nfs/dbraw/zinc/59/32/78/1070593278.db2.gz ARCIYLJYNJFDLP-PMACEKPBSA-N 1 0 355.482 2.859 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C3=CC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC001242693086 1044774509 /nfs/dbraw/zinc/77/45/09/1044774509.db2.gz ISUNLOVAJQKXDS-LJQANCHMSA-N 1 0 360.523 2.953 20 10 FFCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001318054844 1045202044 /nfs/dbraw/zinc/20/20/44/1045202044.db2.gz UUVSJVKUHOUGKG-YLJYHZDGSA-N 1 0 359.514 2.965 20 10 FFCDRO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319717023 1045251059 /nfs/dbraw/zinc/25/10/59/1045251059.db2.gz JNUHAQULBAGZMP-GOSISDBHSA-N 1 0 371.500 2.961 20 10 FFCDRO COc1nc(Cl)c(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1C ZINC001320470040 1045414165 /nfs/dbraw/zinc/41/41/65/1045414165.db2.gz PCZIKEFFIPTRMK-UHFFFAOYSA-N 1 0 352.866 2.659 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+]C[C@H]3N(C)CCCC3(C)C)cc2F)CC1 ZINC001320990810 1045507952 /nfs/dbraw/zinc/50/79/52/1045507952.db2.gz LWQSBFILZQKJKI-HXUWFJFHSA-N 1 0 362.537 2.788 20 10 FFCDRO C[NH+](C)CCn1cc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 ZINC000727470585 1045565686 /nfs/dbraw/zinc/56/56/86/1045565686.db2.gz GTPSNUYMRBJBSH-UHFFFAOYSA-N 1 0 372.473 2.955 20 10 FFCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC001321979963 1045900986 /nfs/dbraw/zinc/90/09/86/1045900986.db2.gz MXMSWTKBHXMXHE-ZIAGYGMSSA-N 1 0 370.291 2.827 20 10 FFCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC001324436857 1046028153 /nfs/dbraw/zinc/02/81/53/1046028153.db2.gz OZWISBFHDWYOTI-KGLIPLIRSA-N 1 0 370.291 2.827 20 10 FFCDRO CN1CCN(c2ccc(CNc3ccc4c(c3)C[NH2+]CCO4)cc2F)CC1 ZINC001326076474 1046755121 /nfs/dbraw/zinc/75/51/21/1046755121.db2.gz ZNWNEJQYERHKJR-UHFFFAOYSA-N 1 0 370.472 2.672 20 10 FFCDRO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001326323813 1046874624 /nfs/dbraw/zinc/87/46/24/1046874624.db2.gz QNLXOJXMYNBOCD-KRWDZBQOSA-N 1 0 355.404 2.787 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCc3ccccc3O2)[NH+](C)C)cc1 ZINC001289602479 1047707986 /nfs/dbraw/zinc/70/79/86/1047707986.db2.gz RZMLZPZBKDVBDG-FPOVZHCZSA-N 1 0 367.493 2.865 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC001331332741 1047869377 /nfs/dbraw/zinc/86/93/77/1047869377.db2.gz IWHLQUZEFADCTN-BNDYYXHWSA-N 1 0 372.509 2.898 20 10 FFCDRO CN1CCN(c2ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])cc2F)CC1 ZINC001331405793 1047918155 /nfs/dbraw/zinc/91/81/55/1047918155.db2.gz WVGHDWIHKFETAP-KRWDZBQOSA-N 1 0 365.493 2.947 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC001327566926 1047950966 /nfs/dbraw/zinc/95/09/66/1047950966.db2.gz YRHODGSCNIRGHA-JTQLQIEISA-N 1 0 362.392 2.855 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001290508185 1048180088 /nfs/dbraw/zinc/18/00/88/1048180088.db2.gz AMDCOPBAICCKNB-UHFFFAOYSA-N 1 0 354.450 2.683 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC001328947059 1048528950 /nfs/dbraw/zinc/52/89/50/1048528950.db2.gz VKIZOOZHTRPVKF-UHFFFAOYSA-N 1 0 365.477 2.613 20 10 FFCDRO C[C@@H](O)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001330315402 1049130025 /nfs/dbraw/zinc/13/00/25/1049130025.db2.gz ISUIUMHVZJZQLZ-IERDGZPVSA-N 1 0 357.473 2.789 20 10 FFCDRO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001341716143 1050335682 /nfs/dbraw/zinc/33/56/82/1050335682.db2.gz DNLZHXKGPRLEFK-TYILLQQXSA-N 1 0 365.424 2.515 20 10 FFCDRO C[C@@H]1[NH2+]CCn2c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21 ZINC001340319001 1050717593 /nfs/dbraw/zinc/71/75/93/1050717593.db2.gz DQVRTTSYLLGISL-DOTOQJQBSA-N 1 0 369.465 2.679 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)[NH+](C)C)cc1 ZINC001340611150 1050993446 /nfs/dbraw/zinc/99/34/46/1050993446.db2.gz SSOCTHUPIXXIHJ-ZGXWSNOMSA-N 1 0 374.529 2.612 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccco3)n[nH]2)[NH+](C)C)cc1 ZINC001304768373 1051690262 /nfs/dbraw/zinc/69/02/62/1051690262.db2.gz LBEIBXOBIKDTLT-SFHVURJKSA-N 1 0 367.453 2.768 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNc3nc(C)nc(C)c3F)CC2)cc1 ZINC000750455928 1052063990 /nfs/dbraw/zinc/06/39/90/1052063990.db2.gz BYUIXLJDVYAOFW-UHFFFAOYSA-N 1 0 373.476 2.865 20 10 FFCDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1ccc(N3CCN(C)CC3)c(F)c1)C2 ZINC001343504857 1052271776 /nfs/dbraw/zinc/27/17/76/1052271776.db2.gz ZLCXRPLZVQOXBU-LJQANCHMSA-N 1 0 369.484 2.979 20 10 FFCDRO CCOC(=O)CCCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC001308013940 1052384757 /nfs/dbraw/zinc/38/47/57/1052384757.db2.gz FWSKYYCSZAYMMZ-UHFFFAOYSA-N 1 0 350.459 2.559 20 10 FFCDRO CN(c1cccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1)S(C)(=O)=O ZINC001336254360 1053873084 /nfs/dbraw/zinc/87/30/84/1053873084.db2.gz QDJITJRRFYUMKQ-UHFFFAOYSA-N 1 0 373.522 2.972 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])CC2)cc1 ZINC001336783703 1054222893 /nfs/dbraw/zinc/22/28/93/1054222893.db2.gz MDGASWUFXXMGHJ-KKSFZXQISA-N 1 0 372.513 2.577 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[NH+](C)C)cc1 ZINC001352075810 1055173270 /nfs/dbraw/zinc/17/32/70/1055173270.db2.gz BRZSGXAGSGDDLB-XLNGHYISSA-N 1 0 366.456 2.698 20 10 FFCDRO CCc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C2=O)c1O ZINC000848897717 1055323992 /nfs/dbraw/zinc/32/39/92/1055323992.db2.gz UALAWNHIIOVDEH-IBGZPJMESA-N 1 0 354.450 2.854 20 10 FFCDRO CCc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)c1O ZINC000848898385 1055325356 /nfs/dbraw/zinc/32/53/56/1055325356.db2.gz UUHVZLPWXNSWHY-IBGZPJMESA-N 1 0 351.450 2.883 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3F)cc2)CC1 ZINC001338306936 1055406099 /nfs/dbraw/zinc/40/60/99/1055406099.db2.gz ANHFUFBQVBUOJC-UHFFFAOYSA-N 1 0 373.447 2.999 20 10 FFCDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C(=O)N(C)C)c3ccccc3)C2)cc1 ZINC000849321943 1056826879 /nfs/dbraw/zinc/82/68/79/1056826879.db2.gz NLTSDNPSTAMDHK-PXNSSMCTSA-N 1 0 353.466 2.693 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NC[C@]34CCC[C@H]3[NH2+]CC4)cs2)cc1 ZINC001354956141 1059697980 /nfs/dbraw/zinc/69/79/80/1059697980.db2.gz FWZVJDKBUJZWNK-VQIMIIECSA-N 1 0 356.495 2.578 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(OCC(F)(F)F)o2)cc1 ZINC000848393476 1059926170 /nfs/dbraw/zinc/92/61/70/1059926170.db2.gz DGCKISXNGMQTQV-ZDUSSCGKSA-N 1 0 371.359 2.717 20 10 FFCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848426892 1059989936 /nfs/dbraw/zinc/98/99/36/1059989936.db2.gz IIYRGMQHYCTOJD-JAXLGGSGSA-N 1 0 371.525 2.650 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001355262960 1060052665 /nfs/dbraw/zinc/05/26/65/1060052665.db2.gz FKDDKVHHXMJTGW-BJLQDIEVSA-N 1 0 358.530 2.933 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC001456937231 1060233653 /nfs/dbraw/zinc/23/36/53/1060233653.db2.gz VEVGVVUEERDLGW-SFHVURJKSA-N 1 0 374.416 2.833 20 10 FFCDRO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458558841 1060624268 /nfs/dbraw/zinc/62/42/68/1060624268.db2.gz YDFHBOBIBLLOHI-UGAXZCSASA-N 1 0 361.442 2.948 20 10 FFCDRO CC(C)CNC(=O)C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001459703342 1060797799 /nfs/dbraw/zinc/79/77/99/1060797799.db2.gz TVKGZYPVBCTKOW-UHFFFAOYSA-N 1 0 359.514 2.698 20 10 FFCDRO c1cnc(N2CCOCC2)c(C[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC001461032909 1061192042 /nfs/dbraw/zinc/19/20/42/1061192042.db2.gz XBFNXSBXWQDLFN-UHFFFAOYSA-N 1 0 352.482 2.808 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1 ZINC001461696891 1061382725 /nfs/dbraw/zinc/38/27/25/1061382725.db2.gz KVJUQPYDVCAAAP-FQEVSTJZSA-N 1 0 361.486 2.624 20 10 FFCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001461766728 1061401312 /nfs/dbraw/zinc/40/13/12/1061401312.db2.gz QEMCRMMOBDNSID-HNNXBMFYSA-N 1 0 359.436 2.972 20 10 FFCDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001461849249 1061426560 /nfs/dbraw/zinc/42/65/60/1061426560.db2.gz HMUOTXLQGGEMSH-UHFFFAOYSA-N 1 0 368.886 2.764 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]CC2(N3CCOCC3)CC2)ccc1N1CCCCC1 ZINC000766226743 1061672014 /nfs/dbraw/zinc/67/20/14/1061672014.db2.gz WWXMUVNQUNZXPP-UHFFFAOYSA-N 1 0 374.485 2.540 20 10 FFCDRO COc1cc(C)c(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(O)c1 ZINC001462653201 1061707319 /nfs/dbraw/zinc/70/73/19/1061707319.db2.gz JLIRPWHNUAZILB-NSHDSACASA-N 1 0 366.259 2.773 20 10 FFCDRO CO[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001465952154 1063277098 /nfs/dbraw/zinc/27/70/98/1063277098.db2.gz WJRDROLIQLUAOG-SOLBZPMBSA-N 1 0 366.889 2.941 20 10 FFCDRO C[C@H](OC1CCCCC1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001533684682 1063373251 /nfs/dbraw/zinc/37/32/51/1063373251.db2.gz SGDYZIUOTLISAH-KRWDZBQOSA-N 1 0 359.514 2.792 20 10 FFCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001468728942 1064028535 /nfs/dbraw/zinc/02/85/35/1064028535.db2.gz UFMHQGXLAWXISW-INIZCTEOSA-N 1 0 350.482 2.908 20 10 FFCDRO CC[C@H](C)[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)OC ZINC001470242370 1064286082 /nfs/dbraw/zinc/28/60/82/1064286082.db2.gz BIYFNKQDNLOLQY-KFKAGJAMSA-N 1 0 364.534 2.716 20 10 FFCDRO Cc1cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC001471036208 1064533065 /nfs/dbraw/zinc/53/30/65/1064533065.db2.gz WVYIEKCBBNVYFA-NRFANRHFSA-N 1 0 372.513 2.514 20 10 FFCDRO Cc1cc(C(=O)N2CC([NH2+]C3CCOCC3)C2)c(C)n1-c1ccccc1C ZINC001471877073 1064833500 /nfs/dbraw/zinc/83/35/00/1064833500.db2.gz LTIYFTGGTVRIID-UHFFFAOYSA-N 1 0 367.493 2.996 20 10 FFCDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473957667 1065427714 /nfs/dbraw/zinc/42/77/14/1065427714.db2.gz LKQPPCDHUAZHLV-MSOLQXFVSA-N 1 0 362.537 2.788 20 10 FFCDRO CCCN(CCC)c1ccc(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1 ZINC001473985585 1065433214 /nfs/dbraw/zinc/43/32/14/1065433214.db2.gz YMNVPBMJVAITNK-UHFFFAOYSA-N 1 0 360.546 2.567 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC001474336638 1065498188 /nfs/dbraw/zinc/49/81/88/1065498188.db2.gz IZFQTSZUJGOBIL-UHFFFAOYSA-N 1 0 373.541 2.892 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(O)c1 ZINC001474761756 1065599764 /nfs/dbraw/zinc/59/97/64/1065599764.db2.gz JIBMZXNJQWEKSS-HXUWFJFHSA-N 1 0 362.470 2.912 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC001579589925 1078646585 /nfs/dbraw/zinc/64/65/85/1078646585.db2.gz ROFJJEVYLHJWQA-SFHVURJKSA-N 1 0 353.466 2.565 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)cc1-c1nn[nH]n1 ZINC001580026996 1078732965 /nfs/dbraw/zinc/73/29/65/1078732965.db2.gz FMUNHAJRXQNMMY-UHFFFAOYSA-N 1 0 359.817 2.833 20 10 FFCDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562966264 1074801535 /nfs/dbraw/zinc/80/15/35/1074801535.db2.gz RQYLKAFZUCWVNC-LSDHHAIUSA-N 1 0 364.453 2.953 20 10 FFCDRO CC(C)C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1ccnc1 ZINC001558722721 1076063731 /nfs/dbraw/zinc/06/37/31/1076063731.db2.gz ACICGQZSODHPDT-VQTJNVASSA-N 1 0 371.529 2.955 20 10 FFCDRO COc1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cc1Cn1cccn1 ZINC001560255363 1076257001 /nfs/dbraw/zinc/25/70/01/1076257001.db2.gz NMCOMSDSULJVJH-QZTJIDSGSA-N 1 0 372.513 2.529 20 10 FFCDRO COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001561040140 1076323580 /nfs/dbraw/zinc/32/35/80/1076323580.db2.gz KSBMXYANRXGPOI-SJFMBGHLSA-N 1 0 371.481 2.924 20 10 FFCDRO Cc1cc(CNC(=O)NCCOCC[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC001564587764 1076646304 /nfs/dbraw/zinc/64/63/04/1076646304.db2.gz ITVZHRXFYPFVJB-UHFFFAOYSA-N 1 0 372.513 2.780 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)NC[C@@H]2CCCSC2)[NH+](C)C)cc1 ZINC001564855334 1076664913 /nfs/dbraw/zinc/66/49/13/1076664913.db2.gz MSGYSLKLPPIKTE-YJBOKZPZSA-N 1 0 364.559 2.798 20 10 FFCDRO CCn1cccc1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001565645183 1076750235 /nfs/dbraw/zinc/75/02/35/1076750235.db2.gz UOKSLOXZNZCONE-UHFFFAOYSA-N 1 0 358.461 2.719 20 10 FFCDRO C[N@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)Cc1ccc(F)cc1 ZINC001566223295 1076935434 /nfs/dbraw/zinc/93/54/34/1076935434.db2.gz XMISMUUIMRRHJA-UHFFFAOYSA-N 1 0 357.389 2.850 20 10 FFCDRO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000066187972 506442415 /nfs/dbraw/zinc/44/24/15/506442415.db2.gz FXWRNFPXMAKYCJ-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)Cc1ccccc1O ZINC000109770677 507986563 /nfs/dbraw/zinc/98/65/63/507986563.db2.gz FEXLEEISPLDUEC-HNNXBMFYSA-N 1 0 367.449 2.978 20 10 FFCDRO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1 ZINC000092075696 508040867 /nfs/dbraw/zinc/04/08/67/508040867.db2.gz XAMDWESUAWBNKA-NRFANRHFSA-N 1 0 365.477 2.586 20 10 FFCDRO OCC[N@H+](CCOCC(F)(F)F)Cc1cc(Br)ccc1O ZINC000093319869 508139601 /nfs/dbraw/zinc/13/96/01/508139601.db2.gz JDNBWADKQMVDTQ-UHFFFAOYSA-N 1 0 372.181 2.528 20 10 FFCDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000367211170 512388052 /nfs/dbraw/zinc/38/80/52/512388052.db2.gz CHGJRVZQCUZZPD-GFCCVEGCSA-N 1 0 360.845 2.830 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3scnc3C)cc2F)CC1 ZINC000106702838 508403765 /nfs/dbraw/zinc/40/37/65/508403765.db2.gz WGBGBMTYPBYFHO-UHFFFAOYSA-N 1 0 362.474 2.663 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CCCO3)cc2F)CC1 ZINC000106702457 508403795 /nfs/dbraw/zinc/40/37/95/508403795.db2.gz SAYOMYLGVMVZGM-QGZVFWFLSA-N 1 0 363.477 2.543 20 10 FFCDRO Cn1cc(N2CC[C@H]([N@H+](C)Cc3ccc(N4CCCCC4)cc3)C2=O)cn1 ZINC000133597679 508422501 /nfs/dbraw/zinc/42/25/01/508422501.db2.gz URCBZEKCJCTOQA-FQEVSTJZSA-N 1 0 367.497 2.648 20 10 FFCDRO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000172695241 509184651 /nfs/dbraw/zinc/18/46/51/509184651.db2.gz TUWUTIZCWLWIAU-UHFFFAOYSA-N 1 0 356.514 2.982 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1OC ZINC000188749960 509245007 /nfs/dbraw/zinc/24/50/07/509245007.db2.gz BSLORLLQMHEBGC-UHFFFAOYSA-N 1 0 362.392 2.773 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1O ZINC000182492369 509267307 /nfs/dbraw/zinc/26/73/07/509267307.db2.gz AOAUSAJVQYEJHZ-UHFFFAOYSA-N 1 0 364.305 2.766 20 10 FFCDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000186111106 509527881 /nfs/dbraw/zinc/52/78/81/509527881.db2.gz RXWYMEURRJHMCC-ZYHUDNBSSA-N 1 0 356.264 2.609 20 10 FFCDRO C[C@@H](c1ccccc1)[N@H+](CCCC(=O)NC(N)=O)Cc1ccccc1O ZINC000179649039 509553965 /nfs/dbraw/zinc/55/39/65/509553965.db2.gz SAGDUOWDJVKYSD-HNNXBMFYSA-N 1 0 355.438 2.931 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000165412967 509570607 /nfs/dbraw/zinc/57/06/07/509570607.db2.gz DHXRKBIYRXGGQP-FOIQADDNSA-N 1 0 371.456 2.615 20 10 FFCDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000166650959 509613310 /nfs/dbraw/zinc/61/33/10/509613310.db2.gz KFQHCZNRBSGIRT-SZFUDVHCSA-N 1 0 356.441 2.971 20 10 FFCDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1O2 ZINC000192975327 509721271 /nfs/dbraw/zinc/72/12/71/509721271.db2.gz RIYFODYGSHEKMT-MRXNPFEDSA-N 1 0 368.433 2.816 20 10 FFCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000192978628 509722679 /nfs/dbraw/zinc/72/26/79/509722679.db2.gz BRKFVRSPPAYZMH-HNNXBMFYSA-N 1 0 359.495 2.785 20 10 FFCDRO CN(c1ccc(NC(=O)c2cccc(O)c2O)cc1)C1CC[NH+](C)CC1 ZINC000192987992 509727606 /nfs/dbraw/zinc/72/76/06/509727606.db2.gz LEZFZRUOKWMZSA-UHFFFAOYSA-N 1 0 355.438 2.881 20 10 FFCDRO O=S(=O)(c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1)N1CCCC1 ZINC000180551408 509980303 /nfs/dbraw/zinc/98/03/03/509980303.db2.gz VRPXMHSBECIORV-UHFFFAOYSA-N 1 0 364.442 2.606 20 10 FFCDRO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000187009164 510003156 /nfs/dbraw/zinc/00/31/56/510003156.db2.gz BHFVRXAZGJFPNX-AUUYWEPGSA-N 1 0 366.477 2.961 20 10 FFCDRO COc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000245720344 510106402 /nfs/dbraw/zinc/10/64/02/510106402.db2.gz HVDKIDVIQHJRFY-KGLIPLIRSA-N 1 0 355.276 2.832 20 10 FFCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187338789 510205588 /nfs/dbraw/zinc/20/55/88/510205588.db2.gz WCHLKTXKUMHADZ-MNOVXSKESA-N 1 0 364.305 2.937 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265855641 510265405 /nfs/dbraw/zinc/26/54/05/510265405.db2.gz FBRGAQODHSMWLW-OCCSQVGLSA-N 1 0 364.442 2.856 20 10 FFCDRO Cn1cc([C@H]([NH2+]Cc2cc3c(cc2O)OCO3)c2ccc(F)cc2)cn1 ZINC000187513094 510307503 /nfs/dbraw/zinc/30/75/03/510307503.db2.gz SSMNNGFAISFQNL-LJQANCHMSA-N 1 0 355.369 2.873 20 10 FFCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265937199 510311156 /nfs/dbraw/zinc/31/11/56/510311156.db2.gz QCSZCKDVKSQGJY-FQEVSTJZSA-N 1 0 354.498 2.833 20 10 FFCDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000262671668 510362354 /nfs/dbraw/zinc/36/23/54/510362354.db2.gz ONRZQFCUPUSOAS-UHFFFAOYSA-N 1 0 368.481 2.522 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(N(C)C)cc1 ZINC000178028895 510385216 /nfs/dbraw/zinc/38/52/16/510385216.db2.gz HHHDFGHISRVWIP-SFHVURJKSA-N 1 0 371.481 2.866 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3nccnc3C)CC2)cc1 ZINC000187711008 510396528 /nfs/dbraw/zinc/39/65/28/510396528.db2.gz HCQSCTXXZPPTIN-QGZVFWFLSA-N 1 0 369.513 2.657 20 10 FFCDRO C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[NH+]1CCCCCC1 ZINC000175529281 510671024 /nfs/dbraw/zinc/67/10/24/510671024.db2.gz MXYHKVMKPSGNHZ-SFHVURJKSA-N 1 0 373.541 2.776 20 10 FFCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c1O ZINC000270602263 510920915 /nfs/dbraw/zinc/92/09/15/510920915.db2.gz AWCFOUAEKLGRIS-MAUKXSAKSA-N 1 0 362.376 2.741 20 10 FFCDRO O=C(Nc1nc(CN2CCCCC2)cs1)c1c(F)ccc(O)c1[O-] ZINC000276508846 510939762 /nfs/dbraw/zinc/93/97/62/510939762.db2.gz DLXIDGAOIORAFN-UHFFFAOYSA-N 1 0 351.403 2.932 20 10 FFCDRO C[C@@H]1CN(CCC[NH2+]Cc2cc(Br)ccc2O)CCCO1 ZINC000277711037 510970156 /nfs/dbraw/zinc/97/01/56/510970156.db2.gz IREOZYBIAHKKPC-CYBMUJFWSA-N 1 0 357.292 2.745 20 10 FFCDRO COc1c(O)c(CN2CCN([C@@H](C)c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278291896 510988390 /nfs/dbraw/zinc/98/83/90/510988390.db2.gz UYTCDLBTSGWVNI-AWEZNQCLSA-N 1 0 372.425 2.583 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278464626 510993995 /nfs/dbraw/zinc/99/39/95/510993995.db2.gz FUGJSHDUYTVZLT-UHFFFAOYSA-N 1 0 369.418 2.704 20 10 FFCDRO COc1c([O-])c(C[NH2+]CCc2nc3c(cccc3F)n2C)ccc1[N+](=O)[O-] ZINC000278463904 510994330 /nfs/dbraw/zinc/99/43/30/510994330.db2.gz FTCYGVPGWTUNDW-UHFFFAOYSA-N 1 0 374.372 2.667 20 10 FFCDRO COc1c([O-])c(C[NH2+][C@H](C)C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278512430 510995212 /nfs/dbraw/zinc/99/52/12/510995212.db2.gz QCHKGRZGZGSUFL-MFKMUULPSA-N 1 0 352.412 2.972 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN[C@H]3C[C@@H](C)n4ccnc43)cc2F)CC1 ZINC000297603894 511005400 /nfs/dbraw/zinc/00/54/00/511005400.db2.gz IEKXYFUPTREJBO-QAPCUYQASA-N 1 0 357.477 2.960 20 10 FFCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000285734655 511013643 /nfs/dbraw/zinc/01/36/43/511013643.db2.gz JDLLHQAFYHCQIH-DTTNNNINSA-N 1 0 369.509 2.622 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000286159769 511020117 /nfs/dbraw/zinc/02/01/17/511020117.db2.gz PTZUGGBKXJBQSP-OAHLLOKOSA-N 1 0 367.449 2.705 20 10 FFCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Br)cc1 ZINC000271218783 511125166 /nfs/dbraw/zinc/12/51/66/511125166.db2.gz JMJJIQXMQBIISH-ZDUSSCGKSA-N 1 0 366.211 2.707 20 10 FFCDRO CCOCc1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc1OC ZINC000282909674 511158897 /nfs/dbraw/zinc/15/88/97/511158897.db2.gz UXJQWIHHGDWXHD-YLJYHZDGSA-N 1 0 363.498 2.889 20 10 FFCDRO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](CC)c2ccccc2O)CC1 ZINC000294764409 511170796 /nfs/dbraw/zinc/17/07/96/511170796.db2.gz JLQLJPQKWHIAPF-OWJWWREXSA-N 1 0 353.484 2.620 20 10 FFCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)c1O ZINC000283052998 511215863 /nfs/dbraw/zinc/21/58/63/511215863.db2.gz SLPOWSXMCBMLRI-QGZVFWFLSA-N 1 0 370.449 2.560 20 10 FFCDRO COCC1(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]CC1 ZINC000279941262 511275005 /nfs/dbraw/zinc/27/50/05/511275005.db2.gz XMYNUNHKIVYYML-UHFFFAOYSA-N 1 0 359.514 2.652 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000271780253 511321175 /nfs/dbraw/zinc/32/11/75/511321175.db2.gz HORYKBPCFOVTLA-UHFFFAOYSA-N 1 0 355.276 2.941 20 10 FFCDRO CC[NH+]1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000298645660 511359942 /nfs/dbraw/zinc/35/99/42/511359942.db2.gz IMEQERLBXHTNKL-SFHVURJKSA-N 1 0 361.486 2.567 20 10 FFCDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000272008942 511399827 /nfs/dbraw/zinc/39/98/27/511399827.db2.gz PRUYDMRFEDAYBF-UHFFFAOYSA-N 1 0 360.907 2.585 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2F)C[C@H](C)O1 ZINC000292050442 511446691 /nfs/dbraw/zinc/44/66/91/511446691.db2.gz JDBKARDPWHUTBR-HLLBOEOZSA-N 1 0 363.477 2.588 20 10 FFCDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O ZINC000273153049 511519459 /nfs/dbraw/zinc/51/94/59/511519459.db2.gz MGSPHCNYSKDZFW-INIZCTEOSA-N 1 0 364.423 2.815 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273446050 511526553 /nfs/dbraw/zinc/52/65/53/511526553.db2.gz ZWRCQMPTYHQPRA-UONOGXRCSA-N 1 0 372.425 2.771 20 10 FFCDRO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000295899806 511549839 /nfs/dbraw/zinc/54/98/39/511549839.db2.gz FCHDNZCKPVSIKB-OXQOHEQNSA-N 1 0 360.498 2.933 20 10 FFCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000273635079 511558858 /nfs/dbraw/zinc/55/88/58/511558858.db2.gz TUPIKHAOUMRIOB-QGZVFWFLSA-N 1 0 356.514 2.935 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000292474315 511610158 /nfs/dbraw/zinc/61/01/58/511610158.db2.gz RPSCRCNLASHTPL-VLIAUNLRSA-N 1 0 373.522 2.722 20 10 FFCDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000299708312 511667474 /nfs/dbraw/zinc/66/74/74/511667474.db2.gz TWVBBQDRKZHCEM-UHFFFAOYSA-N 1 0 364.442 2.858 20 10 FFCDRO CCOc1cncc(NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000301710053 511700280 /nfs/dbraw/zinc/70/02/80/511700280.db2.gz UNKNNSCOMHHEEJ-UHFFFAOYSA-N 1 0 359.449 2.768 20 10 FFCDRO COC1CCN(c2ccc(C[N@@H+]3C[C@H](SC)[C@@H](N(C)C)C3)cc2)CC1 ZINC000296327938 511700854 /nfs/dbraw/zinc/70/08/54/511700854.db2.gz PAWUVSRTVSWGNH-PMACEKPBSA-N 1 0 363.571 2.779 20 10 FFCDRO COC(=O)c1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000296367468 511716391 /nfs/dbraw/zinc/71/63/91/511716391.db2.gz JBERABYFUKGERB-KBPBESRZSA-N 1 0 362.470 2.853 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)Nc2ccnn2CC[NH+](C)C)C2CC2)cc1 ZINC000296741566 511877958 /nfs/dbraw/zinc/87/79/58/511877958.db2.gz CHTRIUGVDJYOPY-UHFFFAOYSA-N 1 0 370.501 2.707 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1O ZINC000366268829 511931437 /nfs/dbraw/zinc/93/14/37/511931437.db2.gz MBMICXVWDJYZIF-MRXNPFEDSA-N 1 0 351.834 2.723 20 10 FFCDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000366322236 511957908 /nfs/dbraw/zinc/95/79/08/511957908.db2.gz WTATTZKAQZRJLI-MJGOQNOKSA-N 1 0 373.428 2.785 20 10 FFCDRO O=S(=O)(C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1)N1CCCC1 ZINC000281780560 511964079 /nfs/dbraw/zinc/96/40/79/511964079.db2.gz DSMXFXDGYQXULS-UHFFFAOYSA-N 1 0 374.506 2.935 20 10 FFCDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000364110024 511964623 /nfs/dbraw/zinc/96/46/23/511964623.db2.gz PEFAPXONJMKIPF-AWEZNQCLSA-N 1 0 364.833 2.569 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364213400 512023521 /nfs/dbraw/zinc/02/35/21/512023521.db2.gz LEJKETJEHDBVIN-LVCYWYKZSA-N 1 0 359.514 2.682 20 10 FFCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293633240 512033621 /nfs/dbraw/zinc/03/36/21/512033621.db2.gz LQSNDVXXNMEYGX-LJQANCHMSA-N 1 0 359.466 2.843 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000374494252 512859235 /nfs/dbraw/zinc/85/92/35/512859235.db2.gz CUCIZEYSCUYKTG-VPWXQRGCSA-N 1 0 364.461 2.651 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Br)cc1O ZINC000368325378 512900629 /nfs/dbraw/zinc/90/06/29/512900629.db2.gz ZZDRVTFBXZOEEK-FPMFFAJLSA-N 1 0 355.276 2.669 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000370616383 513016888 /nfs/dbraw/zinc/01/68/88/513016888.db2.gz SSKGVNFZNLZRMM-WMZOPIPTSA-N 1 0 359.514 2.901 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2CCOC2)C1 ZINC000436049453 513745283 /nfs/dbraw/zinc/74/52/83/513745283.db2.gz JCVCOOLKCWUTTL-QGZVFWFLSA-N 1 0 369.509 2.951 20 10 FFCDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000565147135 518810990 /nfs/dbraw/zinc/81/09/90/518810990.db2.gz HWVRAUXHXAJAAX-KRWDZBQOSA-N 1 0 357.498 2.976 20 10 FFCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1OCC[NH+](C)C ZINC000569181310 519416989 /nfs/dbraw/zinc/41/69/89/519416989.db2.gz DGZIJCLEKXDKIT-UHFFFAOYSA-N 1 0 369.465 2.732 20 10 FFCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCN(CC4CC4)c4ccccc43)c21 ZINC000592966167 520663045 /nfs/dbraw/zinc/66/30/45/520663045.db2.gz VQHCPZXIGJPVTH-MRXNPFEDSA-N 1 0 365.481 2.596 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154623929 728808380 /nfs/dbraw/zinc/80/83/80/728808380.db2.gz XKBJTVXJVAGHJL-CQSZACIVSA-N 1 0 354.545 2.753 20 10 FFCDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)ccc2O)c(C)s1 ZINC000158384350 728887120 /nfs/dbraw/zinc/88/71/20/728887120.db2.gz KAIXHWQKQYJFIW-UHFFFAOYSA-N 1 0 374.915 2.792 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(c3cnn(C)c3)CCCO2)c1O ZINC000898057183 735308311 /nfs/dbraw/zinc/30/83/11/735308311.db2.gz UAFCRIHOFDTSBO-KRWDZBQOSA-N 1 0 351.834 2.583 20 10 FFCDRO C[C@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncs1 ZINC000898175988 735322617 /nfs/dbraw/zinc/32/26/17/735322617.db2.gz ZTSQAPCVDWMLFO-XJKSGUPXSA-N 1 0 361.515 2.872 20 10 FFCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cn(C)nc2C(F)F)N(C)C)cc1 ZINC000898449692 735362122 /nfs/dbraw/zinc/36/21/22/735362122.db2.gz JFSQJPOPAPPLFM-INIZCTEOSA-N 1 0 351.445 2.816 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NCCCC(F)(F)F)[NH+](C)C)cc1 ZINC000899100880 735447278 /nfs/dbraw/zinc/44/72/78/735447278.db2.gz CEAINCHFUKQCRG-OAHLLOKOSA-N 1 0 360.424 2.997 20 10 FFCDRO CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)ccc1O ZINC000036933204 727932136 /nfs/dbraw/zinc/93/21/36/727932136.db2.gz RIVDVTXRLKBLIJ-SWLSCSKDSA-N 1 0 357.292 2.916 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000092505314 728468130 /nfs/dbraw/zinc/46/81/30/728468130.db2.gz LPBIWSSJQNJQMT-UHFFFAOYSA-N 1 0 359.436 2.839 20 10 FFCDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000092660029 728469798 /nfs/dbraw/zinc/46/97/98/728469798.db2.gz XNTVKYBBXWGMHJ-LLVKDONJSA-N 1 0 371.275 2.641 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)OCO2 ZINC000107713741 728517367 /nfs/dbraw/zinc/51/73/67/728517367.db2.gz PPLWWMVBAWJCJT-AWEZNQCLSA-N 1 0 355.312 2.963 20 10 FFCDRO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000116914528 728574255 /nfs/dbraw/zinc/57/42/55/728574255.db2.gz ZWESGZXRUDAVHT-HNNXBMFYSA-N 1 0 366.870 2.598 20 10 FFCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000124091984 728666211 /nfs/dbraw/zinc/66/62/11/728666211.db2.gz YJSFYLQHHCMMTE-GOSISDBHSA-N 1 0 350.459 2.721 20 10 FFCDRO C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000165422198 728972900 /nfs/dbraw/zinc/97/29/00/728972900.db2.gz BENZSLKRTLRRAG-SJLPKXTDSA-N 1 0 361.555 2.882 20 10 FFCDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCCCOC ZINC000174424134 729071571 /nfs/dbraw/zinc/07/15/71/729071571.db2.gz DVHXIFSFTOFPPL-GFCCVEGCSA-N 1 0 373.291 2.518 20 10 FFCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000180554589 729218152 /nfs/dbraw/zinc/21/81/52/729218152.db2.gz URRGYFOETMMLEO-GOSISDBHSA-N 1 0 366.527 2.835 20 10 FFCDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000779027870 738430915 /nfs/dbraw/zinc/43/09/15/738430915.db2.gz TWMMZFIOYPRGCN-NSHDSACASA-N 1 0 353.264 2.968 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(C(F)(F)F)c1 ZINC000280321465 729704070 /nfs/dbraw/zinc/70/40/70/729704070.db2.gz RAAZQXLREDLGGU-UHFFFAOYSA-N 1 0 355.404 2.874 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)[C@H]1n1cccn1 ZINC000858171118 730418599 /nfs/dbraw/zinc/41/85/99/730418599.db2.gz UPAWGCWLOJMZBR-CGTJXYLNSA-N 1 0 350.413 2.736 20 10 FFCDRO C[N@@H+]1CC[C@H](NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1(C)C ZINC000858176271 730418762 /nfs/dbraw/zinc/41/87/62/730418762.db2.gz SJSJOLNXHXOLOE-HNNXBMFYSA-N 1 0 353.457 2.764 20 10 FFCDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000858498600 730427366 /nfs/dbraw/zinc/42/73/66/730427366.db2.gz RXCWLTLYECDDFO-RCCFBDPRSA-N 1 0 353.532 2.654 20 10 FFCDRO C[NH+](C)CCN(Cc1c(O)cccc1Br)C[C@H]1CCCO1 ZINC000862366265 730692394 /nfs/dbraw/zinc/69/23/94/730692394.db2.gz GQKWLVIBOIYWLG-CYBMUJFWSA-N 1 0 357.292 2.697 20 10 FFCDRO CC[NH+](CC)CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925272423 738493737 /nfs/dbraw/zinc/49/37/37/738493737.db2.gz NEBQQDBNVQXGBW-UHFFFAOYSA-N 1 0 353.850 2.542 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)[C@@H]1SC ZINC000873133691 731879035 /nfs/dbraw/zinc/87/90/35/731879035.db2.gz JBTMDUCPKMUISC-QRQLOZEOSA-N 1 0 361.511 2.939 20 10 FFCDRO O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874081643 732007111 /nfs/dbraw/zinc/00/71/11/732007111.db2.gz KKDYKKALMWIDQO-IBGZPJMESA-N 1 0 359.539 2.873 20 10 FFCDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)c1 ZINC000876993071 732308383 /nfs/dbraw/zinc/30/83/83/732308383.db2.gz SUJOUYVUXBDHRS-UHFFFAOYSA-N 1 0 360.479 2.775 20 10 FFCDRO Cc1cc(C(=O)NC2(C[NH3+])CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000877045741 732316795 /nfs/dbraw/zinc/31/67/95/732316795.db2.gz YVFPDRZHTNPVOO-UHFFFAOYSA-N 1 0 361.873 2.985 20 10 FFCDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877075810 732321352 /nfs/dbraw/zinc/32/13/52/732321352.db2.gz IHKCMWGBMWMFKU-CVBYOTHMSA-N 1 0 364.555 2.817 20 10 FFCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000877093723 732322989 /nfs/dbraw/zinc/32/29/89/732322989.db2.gz CVVRLVANDURGPG-PXNSSMCTSA-N 1 0 362.539 2.792 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(Br)no2)c1 ZINC000878359937 732519923 /nfs/dbraw/zinc/51/99/23/732519923.db2.gz FDLDTXKPJDGFFF-UFBFGSQYSA-N 1 0 357.204 2.536 20 10 FFCDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000781910041 738671567 /nfs/dbraw/zinc/67/15/67/738671567.db2.gz UAQMFOWIBILTTJ-AWEZNQCLSA-N 1 0 369.303 2.617 20 10 FFCDRO CCO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000926965374 738675153 /nfs/dbraw/zinc/67/51/53/738675153.db2.gz QJWSIONIOVMTSX-RDJZCZTQSA-N 1 0 369.937 2.794 20 10 FFCDRO CCO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+](C)C ZINC000926965373 738675218 /nfs/dbraw/zinc/67/52/18/738675218.db2.gz QJWSIONIOVMTSX-NVXWUHKLSA-N 1 0 369.937 2.794 20 10 FFCDRO COC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000782013878 738680508 /nfs/dbraw/zinc/68/05/08/738680508.db2.gz KMRSTUYXJZJFIX-HNNXBMFYSA-N 1 0 352.862 2.695 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ncc(Br)cn3)cc2)CC1 ZINC000882880414 733306691 /nfs/dbraw/zinc/30/66/91/733306691.db2.gz QTOYTZUPKBTKOM-UHFFFAOYSA-N 1 0 362.275 2.603 20 10 FFCDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(Br)ccc1O ZINC000883308693 733366653 /nfs/dbraw/zinc/36/66/53/733366653.db2.gz VUAILOPIIFGNNV-JQWIXIFHSA-N 1 0 362.289 2.773 20 10 FFCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883366368 733374173 /nfs/dbraw/zinc/37/41/73/733374173.db2.gz RVKMAWCRPPPWAA-VIFPVBQESA-N 1 0 364.108 2.803 20 10 FFCDRO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000720875878 734380601 /nfs/dbraw/zinc/38/06/01/734380601.db2.gz DPNFDWQFTDVWQO-MWLCHTKSSA-N 1 0 353.182 2.724 20 10 FFCDRO COc1cccc(O)c1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000725846308 734395807 /nfs/dbraw/zinc/39/58/07/734395807.db2.gz DQAOCSWJYGDXST-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000892484145 734564311 /nfs/dbraw/zinc/56/43/11/734564311.db2.gz ZMOJMKZTSCAASE-ZDUSSCGKSA-N 1 0 370.291 2.732 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3scnc3C(F)F)cc2)CC1 ZINC000893608528 734725971 /nfs/dbraw/zinc/72/59/71/734725971.db2.gz WAYFREWVKQADAN-UHFFFAOYSA-N 1 0 366.437 2.763 20 10 FFCDRO COC(=O)c1c(C[NH2+]CC(C)(C)C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894287425 734830975 /nfs/dbraw/zinc/83/09/75/734830975.db2.gz HDJXIYPVEKITDD-GFCCVEGCSA-N 1 0 350.434 2.991 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)NOCCC(F)(F)F)[NH+](C)C)cc1 ZINC000894313461 734835505 /nfs/dbraw/zinc/83/55/05/734835505.db2.gz FGRDNSSUATUHSY-CQSZACIVSA-N 1 0 362.396 2.539 20 10 FFCDRO Cc1cc(Br)cc(C[NH+]2CCC(N3CN=NC3=O)CC2)c1O ZINC000894609531 734888649 /nfs/dbraw/zinc/88/86/49/734888649.db2.gz YZKIRPLTTYQMSZ-UHFFFAOYSA-N 1 0 367.247 2.597 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CCCn2cc(Br)cn2)c1O ZINC000894785620 734916972 /nfs/dbraw/zinc/91/69/72/734916972.db2.gz XIBVDCUOIQGIFT-UHFFFAOYSA-N 1 0 354.248 2.848 20 10 FFCDRO COc1cc(C)cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1O ZINC000896911623 735187845 /nfs/dbraw/zinc/18/78/45/735187845.db2.gz GGYHPGPPZXCSCL-UHFFFAOYSA-N 1 0 366.259 2.947 20 10 FFCDRO Cc1ccc(C[N@@H+]2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000896980719 735190552 /nfs/dbraw/zinc/19/05/52/735190552.db2.gz TVKYZXLQCAJINN-IBGZPJMESA-N 1 0 350.459 2.552 20 10 FFCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742376979 735235284 /nfs/dbraw/zinc/23/52/84/735235284.db2.gz JROWTEVVPNAOAO-HNNXBMFYSA-N 1 0 351.447 2.726 20 10 FFCDRO CN(C)c1ccc([C@H](CNc2ccccc2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000897526298 735243232 /nfs/dbraw/zinc/24/32/32/735243232.db2.gz YUXUOUBXXWSXIF-SFHVURJKSA-N 1 0 361.511 2.871 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000897572163 735250055 /nfs/dbraw/zinc/25/00/55/735250055.db2.gz MCIJIJDRWBSNBU-UHFFFAOYSA-N 1 0 360.479 2.728 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CCSC2)ccc1N1CCCCC1 ZINC000747622815 735575040 /nfs/dbraw/zinc/57/50/40/735575040.db2.gz ZAYAGPPCZZDCOB-KRWDZBQOSA-N 1 0 351.472 2.543 20 10 FFCDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000748958661 735685003 /nfs/dbraw/zinc/68/50/03/735685003.db2.gz DNSNLJQUABBAPN-GDBMZVCRSA-N 1 0 350.482 2.906 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccccc1O ZINC000903324734 736076355 /nfs/dbraw/zinc/07/63/55/736076355.db2.gz JGVSNHMEPAXFCJ-NOZJJQNGSA-N 1 0 362.227 2.764 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)ccc1O ZINC000903434155 736094128 /nfs/dbraw/zinc/09/41/28/736094128.db2.gz JRMYSHXKXMVXRH-GXSJLCMTSA-N 1 0 352.797 2.610 20 10 FFCDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Br)ccc1O ZINC000756733102 736356787 /nfs/dbraw/zinc/35/67/87/736356787.db2.gz OQNLYBUUBUJVEX-BQSGVUBFSA-N 1 0 353.260 2.815 20 10 FFCDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(Br)cc1O ZINC000763560017 736948135 /nfs/dbraw/zinc/94/81/35/736948135.db2.gz YZUOXKGTNXCJPH-ABAIWWIYSA-N 1 0 358.276 2.983 20 10 FFCDRO O=C(NCc1cc(Cl)ccc1O)C1CCC([NH+]2CCOCC2)CC1 ZINC000911898908 737242625 /nfs/dbraw/zinc/24/26/25/737242625.db2.gz RZQWMMAALVAUJC-UHFFFAOYSA-N 1 0 352.862 2.553 20 10 FFCDRO CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000912106160 737265685 /nfs/dbraw/zinc/26/56/85/737265685.db2.gz IVXCEBPJTVLBJG-UHFFFAOYSA-N 1 0 357.420 2.985 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)O[C@@H]1CCOC1 ZINC000914156619 737516933 /nfs/dbraw/zinc/51/69/33/737516933.db2.gz CUYTWOXNUQVWRX-HUUCEWRRSA-N 1 0 354.834 2.525 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000769385651 737523181 /nfs/dbraw/zinc/52/31/81/737523181.db2.gz ZIYICODGXSKCFZ-SFHVURJKSA-N 1 0 367.559 2.814 20 10 FFCDRO C[NH+]1CCN(c2ccc(/C=C3/N=C(c4ccsc4)OC3=O)cc2)CC1 ZINC000771518686 737732074 /nfs/dbraw/zinc/73/20/74/737732074.db2.gz ALWIDFBRIALPRG-SFQUDFHCSA-N 1 0 353.447 2.844 20 10 FFCDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000773326827 737894722 /nfs/dbraw/zinc/89/47/22/737894722.db2.gz BZTXLVCSQWCQPP-LJQANCHMSA-N 1 0 351.443 2.821 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000775364170 738087288 /nfs/dbraw/zinc/08/72/88/738087288.db2.gz PAKFXDUOXAEDEO-CYBMUJFWSA-N 1 0 365.451 2.534 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000775364173 738087325 /nfs/dbraw/zinc/08/73/25/738087325.db2.gz PAKFXDUOXAEDEO-ZDUSSCGKSA-N 1 0 365.451 2.534 20 10 FFCDRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775831795 738129910 /nfs/dbraw/zinc/12/99/10/738129910.db2.gz UTKGIIWJXZJVKN-HNNXBMFYSA-N 1 0 362.495 2.886 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000922724554 738191901 /nfs/dbraw/zinc/19/19/01/738191901.db2.gz SYNVRLJQUUHKML-SUHUHFCYSA-N 1 0 354.244 2.844 20 10 FFCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c(O)c1 ZINC000788566046 739259461 /nfs/dbraw/zinc/25/94/61/739259461.db2.gz YAHDNLOUYMHKTD-APWZRJJASA-N 1 0 350.528 2.868 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2nn(C)cc2Cl)[NH+](C)C)cc1 ZINC000932425800 739451527 /nfs/dbraw/zinc/45/15/27/739451527.db2.gz UGDFEKLSLBHNSU-OAHLLOKOSA-N 1 0 364.881 2.564 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)c(O)c1 ZINC000793201390 739751933 /nfs/dbraw/zinc/75/19/33/739751933.db2.gz GTRSDGRTFZFOPZ-UHFFFAOYSA-N 1 0 355.481 2.936 20 10 FFCDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000796510322 740148772 /nfs/dbraw/zinc/14/87/72/740148772.db2.gz MQBAXJSACXGFAH-LJQANCHMSA-N 1 0 365.543 2.581 20 10 FFCDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000796528263 740150052 /nfs/dbraw/zinc/15/00/52/740150052.db2.gz FTCDFLQYWRIACJ-NWDGAFQWSA-N 1 0 360.483 2.788 20 10 FFCDRO CN(CC[NH2+]Cc1c(O)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000797880420 740284117 /nfs/dbraw/zinc/28/41/17/740284117.db2.gz WGSNYWQARQEDDQ-UHFFFAOYSA-N 1 0 372.849 2.595 20 10 FFCDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccccc1O ZINC000799725843 740445614 /nfs/dbraw/zinc/44/56/14/740445614.db2.gz KBJBQLPVQBGHOI-OAHLLOKOSA-N 1 0 370.421 2.690 20 10 FFCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000806664068 741079127 /nfs/dbraw/zinc/07/91/27/741079127.db2.gz ZHEMTNCUEOODJW-CABZTGNLSA-N 1 0 361.305 2.673 20 10 FFCDRO O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cccnc1F ZINC000807106734 741111122 /nfs/dbraw/zinc/11/11/22/741111122.db2.gz AHLDDNWAUODKBS-CQSZACIVSA-N 1 0 363.820 2.974 20 10 FFCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000808719959 741255329 /nfs/dbraw/zinc/25/53/29/741255329.db2.gz ZFRLIMBPGHYJBH-OCCSQVGLSA-N 1 0 360.907 2.819 20 10 FFCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000808719957 741255360 /nfs/dbraw/zinc/25/53/60/741255360.db2.gz ZFRLIMBPGHYJBH-JSGCOSHPSA-N 1 0 360.907 2.819 20 10 FFCDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000809723201 741336818 /nfs/dbraw/zinc/33/68/18/741336818.db2.gz RIYIPTVXDZZJJV-AWEZNQCLSA-N 1 0 350.415 2.564 20 10 FFCDRO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000810209821 741398082 /nfs/dbraw/zinc/39/80/82/741398082.db2.gz WSKFFUARXYQJNO-ZDUSSCGKSA-N 1 0 368.421 2.733 20 10 FFCDRO C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815575832 741946121 /nfs/dbraw/zinc/94/61/21/741946121.db2.gz BKPPSIZYEYNUQT-UONOGXRCSA-N 1 0 359.436 2.945 20 10 FFCDRO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816594056 742045334 /nfs/dbraw/zinc/04/53/34/742045334.db2.gz NQZVNOJVMIHWAJ-QGZVFWFLSA-N 1 0 360.479 2.545 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000816657414 742051537 /nfs/dbraw/zinc/05/15/37/742051537.db2.gz REMZELMVPSIVJJ-QGZVFWFLSA-N 1 0 355.862 2.712 20 10 FFCDRO C[C@@H]1CN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000818965646 742316580 /nfs/dbraw/zinc/31/65/80/742316580.db2.gz CRBZTOPJVVZTGT-BFQNTYOBSA-N 1 0 364.383 2.842 20 10 FFCDRO CCOc1cccc(C[NH2+]CCn2cc(Br)ccc2=O)c1O ZINC000824543761 743102516 /nfs/dbraw/zinc/10/25/16/743102516.db2.gz NOWNQKGVVFOMSD-UHFFFAOYSA-N 1 0 367.243 2.505 20 10 FFCDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824560914 743105431 /nfs/dbraw/zinc/10/54/31/743105431.db2.gz MLDBXWXKWQMHIU-AWEZNQCLSA-N 1 0 367.287 2.893 20 10 FFCDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2O)CN1 ZINC000824948459 743183962 /nfs/dbraw/zinc/18/39/62/743183962.db2.gz FMRRYQCDHAJGLK-GXTWGEPZSA-N 1 0 353.260 2.645 20 10 FFCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cc1Cl ZINC000825132276 743216053 /nfs/dbraw/zinc/21/60/53/743216053.db2.gz ZZPVOKVAVCVURD-KRWDZBQOSA-N 1 0 356.919 2.652 20 10 FFCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000825803905 743329950 /nfs/dbraw/zinc/32/99/50/743329950.db2.gz MFSBLPKQPAATFR-BBRMVZONSA-N 1 0 370.287 2.812 20 10 FFCDRO CC(C)(C[NH2+]Cc1ccc(Br)cc1O)C1(O)CCOCC1 ZINC000826131452 743370182 /nfs/dbraw/zinc/37/01/82/743370182.db2.gz SXVQPEJTCSLQKJ-UHFFFAOYSA-N 1 0 358.276 2.812 20 10 FFCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000826929028 743472400 /nfs/dbraw/zinc/47/24/00/743472400.db2.gz UJXULJJALJLXLD-AWEZNQCLSA-N 1 0 358.511 2.920 20 10 FFCDRO CCC[NH2+][C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000828358974 745059167 /nfs/dbraw/zinc/05/91/67/745059167.db2.gz PHHHIHHEIOVURH-ZDUSSCGKSA-N 1 0 355.429 2.761 20 10 FFCDRO CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000831905554 745603058 /nfs/dbraw/zinc/60/30/58/745603058.db2.gz KSUPPMKKZBEPBJ-MRXNPFEDSA-N 1 0 356.495 2.625 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000832266517 745668756 /nfs/dbraw/zinc/66/87/56/745668756.db2.gz GTQMMRVMROBGCJ-NVXWUHKLSA-N 1 0 361.536 2.961 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000832292720 745673648 /nfs/dbraw/zinc/67/36/48/745673648.db2.gz KTCCSIYODOTWOG-ZDUSSCGKSA-N 1 0 353.253 2.884 20 10 FFCDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000834527207 745854271 /nfs/dbraw/zinc/85/42/71/745854271.db2.gz YKFFYYJGFKDHMA-QGZVFWFLSA-N 1 0 360.479 2.856 20 10 FFCDRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834783585 745899099 /nfs/dbraw/zinc/89/90/99/745899099.db2.gz KOYSVXHQIKIITB-QGZVFWFLSA-N 1 0 361.463 2.589 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(Br)cc1O ZINC000834850960 745913808 /nfs/dbraw/zinc/91/38/08/745913808.db2.gz RHUHWVIEJGWHGE-JSGCOSHPSA-N 1 0 357.292 2.652 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H](C)F)cc2F)CC1 ZINC000836483228 746234850 /nfs/dbraw/zinc/23/48/50/746234850.db2.gz QDICILOLONHRPO-AWEZNQCLSA-N 1 0 354.445 2.515 20 10 FFCDRO COCc1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)no1 ZINC000838944948 746742922 /nfs/dbraw/zinc/74/29/22/746742922.db2.gz QJWGQUPLCDCVRP-OAHLLOKOSA-N 1 0 365.861 2.934 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)[C@@H]1SC ZINC000839146140 746788220 /nfs/dbraw/zinc/78/82/20/746788220.db2.gz XOPDYLUKPCYOJL-JZXOWHBKSA-N 1 0 372.481 2.800 20 10 FFCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000840973383 747247813 /nfs/dbraw/zinc/24/78/13/747247813.db2.gz LNKJVSDYQLEKMY-UHFFFAOYSA-N 1 0 363.479 2.886 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1F ZINC000840975671 747249070 /nfs/dbraw/zinc/24/90/70/747249070.db2.gz PPHWTMQXIWRCHR-UHFFFAOYSA-N 1 0 356.507 2.976 20 10 FFCDRO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000841099869 747268947 /nfs/dbraw/zinc/26/89/47/747268947.db2.gz PSCLZZZZBAIGOH-WMLDXEAASA-N 1 0 369.849 2.672 20 10 FFCDRO Cn1ncc(/C=C2\SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)c1Cl ZINC000841497352 747370752 /nfs/dbraw/zinc/37/07/52/747370752.db2.gz WEUNIIROYHWQGU-WDZFZDKYSA-N 1 0 372.947 2.863 20 10 FFCDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841706538 747436812 /nfs/dbraw/zinc/43/68/12/747436812.db2.gz HHKWSBQMRWSAIZ-OAHLLOKOSA-N 1 0 350.532 2.557 20 10 FFCDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1O ZINC000841746426 747447491 /nfs/dbraw/zinc/44/74/91/747447491.db2.gz GPFIWAOEUIUZLZ-GFCCVEGCSA-N 1 0 354.859 2.675 20 10 FFCDRO CC[C@H]1CN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000841798993 747463420 /nfs/dbraw/zinc/46/34/20/747463420.db2.gz OMIYKOHMAIBGAI-DOTOQJQBSA-N 1 0 350.482 2.941 20 10 FFCDRO O=C(NCCCSc1nccs1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841855552 747476964 /nfs/dbraw/zinc/47/69/64/747476964.db2.gz BARBNSZJUKYRCG-CQSZACIVSA-N 1 0 354.545 2.799 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000841895034 747483445 /nfs/dbraw/zinc/48/34/45/747483445.db2.gz NOYSAKVTYYSRCW-UHFFFAOYSA-N 1 0 350.459 2.552 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000842207735 747547626 /nfs/dbraw/zinc/54/76/26/747547626.db2.gz UOEOMXOKFQDOGR-GFCCVEGCSA-N 1 0 367.902 2.904 20 10 FFCDRO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784719 747687240 /nfs/dbraw/zinc/68/72/40/747687240.db2.gz LGFVQZDRWCRSPE-INIZCTEOSA-N 1 0 367.902 2.693 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1O ZINC000846143223 748414777 /nfs/dbraw/zinc/41/47/77/748414777.db2.gz CUQVEIOCQLOYGP-ZDUSSCGKSA-N 1 0 365.451 2.534 20 10 FFCDRO C[NH+](C)C[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1ccc(Cl)cc1 ZINC000846656701 748520481 /nfs/dbraw/zinc/52/04/81/748520481.db2.gz NUHCWUFRJBHOSH-LBPRGKRZSA-N 1 0 366.820 2.966 20 10 FFCDRO CCC(CC)(CO)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591376 748736541 /nfs/dbraw/zinc/73/65/41/748736541.db2.gz UVXDPJAWCHVAND-INIZCTEOSA-N 1 0 368.905 2.925 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000848523374 748949197 /nfs/dbraw/zinc/94/91/97/748949197.db2.gz BRCGTWDCDPYALW-WDEREUQCSA-N 1 0 371.275 2.825 20 10 FFCDRO CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848531713 748951197 /nfs/dbraw/zinc/95/11/97/748951197.db2.gz UMTVYVGVAXVQLR-AYLIAGHASA-N 1 0 350.278 2.583 20 10 FFCDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nc(C)no2)c1O ZINC000848535158 748953644 /nfs/dbraw/zinc/95/36/44/748953644.db2.gz XCHCCOBGKYYEPG-MRVPVSSYSA-N 1 0 356.220 2.748 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(CO)CCOCC2)c1O ZINC000848535613 748953826 /nfs/dbraw/zinc/95/38/26/748953826.db2.gz HWQYHJBBUDEFHD-NSHDSACASA-N 1 0 374.275 2.603 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]CCc2cnccn2)c1O ZINC000848538144 748954594 /nfs/dbraw/zinc/95/45/94/748954594.db2.gz SYCDZXWZDOXALO-JTQLQIEISA-N 1 0 352.232 2.847 20 10 FFCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(OCC(F)(F)F)nn1 ZINC000848599060 748970424 /nfs/dbraw/zinc/97/04/24/748970424.db2.gz BUCYXPDZKXQLBJ-UHFFFAOYSA-N 1 0 352.360 2.829 20 10 FFCDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)c2cc(C)sc2C)c1O ZINC000848898805 749030349 /nfs/dbraw/zinc/03/03/49/749030349.db2.gz HLFOUPVQJIOGHY-UHFFFAOYSA-N 1 0 368.524 2.701 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000848929501 749036658 /nfs/dbraw/zinc/03/66/58/749036658.db2.gz FXAVBQDXYCDTJV-INIZCTEOSA-N 1 0 354.878 2.741 20 10 FFCDRO COc1cc(C[NH2+]C[C@@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850151634 749312713 /nfs/dbraw/zinc/31/27/13/749312713.db2.gz BVPSIVOILOEGOI-OAHLLOKOSA-N 1 0 350.503 2.756 20 10 FFCDRO COc1cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000850287816 749333988 /nfs/dbraw/zinc/33/39/88/749333988.db2.gz FMHIFUUPZGFGDR-RHSMWYFYSA-N 1 0 353.503 2.946 20 10 FFCDRO O=[S@](CC[NH2+]Cc1cc(Br)ccc1O)CC(F)(F)F ZINC000850347895 749347059 /nfs/dbraw/zinc/34/70/59/749347059.db2.gz ABJYCAPTRULSJQ-LJQANCHMSA-N 1 0 360.195 2.555 20 10 FFCDRO COc1cc(Br)cc(C[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850365077 749353701 /nfs/dbraw/zinc/35/37/01/749353701.db2.gz AOVGXRLRIHPMHA-NSHDSACASA-N 1 0 352.175 2.677 20 10 FFCDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000850369082 749354456 /nfs/dbraw/zinc/35/44/56/749354456.db2.gz HEMVQNARTLONBV-GXTWGEPZSA-N 1 0 355.500 2.754 20 10 FFCDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](OC)[C@H]2CCOC2)c1O ZINC000850485120 749371610 /nfs/dbraw/zinc/37/16/10/749371610.db2.gz XOZGGHIKNJBDBI-PGUXBMHVSA-N 1 0 374.275 2.865 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000385498782 845828538 /nfs/dbraw/zinc/82/85/38/845828538.db2.gz YVRFHQASAIDVIX-HUUCEWRRSA-N 1 0 350.459 2.987 20 10 FFCDRO C[C@@H](O)C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000729544544 970797636 /nfs/dbraw/zinc/79/76/36/970797636.db2.gz HTAZWXFMEYISTD-QGZVFWFLSA-N 1 0 361.530 2.727 20 10 FFCDRO COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c(O)c1OC ZINC000893205362 970954367 /nfs/dbraw/zinc/95/43/67/970954367.db2.gz JCYPKSANMDVLSQ-INIZCTEOSA-N 1 0 372.469 2.557 20 10 FFCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182641630 971049005 /nfs/dbraw/zinc/04/90/05/971049005.db2.gz BRROCAQDDFBJFM-GJZGRUSLSA-N 1 0 361.486 2.853 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000840343683 971100573 /nfs/dbraw/zinc/10/05/73/971100573.db2.gz UBKNJHRRGBTVFL-DLBZAZTESA-N 1 0 358.530 2.942 20 10 FFCDRO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cccc1Cl ZINC001275837657 1013067208 /nfs/dbraw/zinc/06/72/08/1013067208.db2.gz LCVYBBFLHBWKDE-IUIKQTSFSA-N 1 0 350.846 2.588 20 10 FFCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(F)ccc1O ZINC000186076151 971338018 /nfs/dbraw/zinc/33/80/18/971338018.db2.gz ZDTQKJJBLRKCSP-ZBFHGGJFSA-N 1 0 358.413 2.862 20 10 FFCDRO O=C1N(C2COC2)CC[C@]12CCC[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001275843216 1013076055 /nfs/dbraw/zinc/07/60/55/1013076055.db2.gz OUKAAYPZJALXEE-LJQANCHMSA-N 1 0 364.873 2.649 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccccc1 ZINC000123317729 971704787 /nfs/dbraw/zinc/70/47/87/971704787.db2.gz IMRPXZOFMXMNPB-ZWKOTPCHSA-N 1 0 367.493 2.879 20 10 FFCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873010701 1013345721 /nfs/dbraw/zinc/34/57/21/1013345721.db2.gz LQJPUYMSHFIGIU-UHFFFAOYSA-N 1 0 372.469 2.651 20 10 FFCDRO [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(c2)C(=O)N(C2CC2)C3)COC1 ZINC001167374569 962486813 /nfs/dbraw/zinc/48/68/13/962486813.db2.gz LSYCMFISIFVKNE-UHFFFAOYSA-N 1 0 363.461 2.539 20 10 FFCDRO COc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1Cn1cccn1 ZINC000873014182 1013347843 /nfs/dbraw/zinc/34/78/43/1013347843.db2.gz NPWJLIUSRXHGKW-UHFFFAOYSA-N 1 0 357.454 2.715 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H]2CCC3(CCC3)O2)[NH+](C)C)cc1 ZINC000891243311 962538256 /nfs/dbraw/zinc/53/82/56/962538256.db2.gz LLRUWIYGUVGKAX-MOPGFXCFSA-N 1 0 359.514 2.963 20 10 FFCDRO CCOc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891243353 962542135 /nfs/dbraw/zinc/54/21/35/962542135.db2.gz MXCWPPWZZURBHT-LJQANCHMSA-N 1 0 370.497 2.508 20 10 FFCDRO CCOC1CC2(C[C@@H]2C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891245948 962562903 /nfs/dbraw/zinc/56/29/03/962562903.db2.gz KMMLNFHYFWIHJH-XTBIFASLSA-N 1 0 359.514 2.677 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1Cn1cccn1 ZINC000873031478 1013355798 /nfs/dbraw/zinc/35/57/98/1013355798.db2.gz VJPHEMQOJMQNHG-MRXNPFEDSA-N 1 0 368.403 2.666 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@H](O)c2cccc(F)c2)[NH+](C)C)cc1 ZINC000891251970 962597734 /nfs/dbraw/zinc/59/77/34/962597734.db2.gz IUFUNDMGSSYFFS-PMACEKPBSA-N 1 0 373.472 2.734 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ccc3[nH]c(=O)oc3c2)[NH+](C)C)cc1 ZINC000891252091 962597915 /nfs/dbraw/zinc/59/79/15/962597915.db2.gz GCBSEYJWWKELTK-KRWDZBQOSA-N 1 0 368.437 2.632 20 10 FFCDRO Cc1cc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c(=O)[nH]1 ZINC000891251044 962601650 /nfs/dbraw/zinc/60/16/50/962601650.db2.gz CJLRVOOUXYGQJE-KRWDZBQOSA-N 1 0 356.470 2.503 20 10 FFCDRO CC(C)c1nnc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000891251572 962602073 /nfs/dbraw/zinc/60/20/73/962602073.db2.gz GZPZJLABPZABNL-QGZVFWFLSA-N 1 0 373.501 2.611 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2ccc3nccnc3c2)[NH+](C)C)cc1 ZINC000891256839 962618910 /nfs/dbraw/zinc/61/89/10/962618910.db2.gz AGHDYSKFXFAQFB-HXUWFJFHSA-N 1 0 363.465 2.729 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2noc3c2CCCC3)[NH+](C)C)cc1 ZINC000891256246 962619714 /nfs/dbraw/zinc/61/97/14/962619714.db2.gz WIUVTEYLSGDZNS-KRWDZBQOSA-N 1 0 356.470 2.652 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ncccc23)[NH+](C)C)cc1 ZINC000891255936 962619769 /nfs/dbraw/zinc/61/97/69/962619769.db2.gz SUCQOLUERQARQE-GOSISDBHSA-N 1 0 351.454 2.662 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1Cn1cccn1 ZINC000873050256 1013364918 /nfs/dbraw/zinc/36/49/18/1013364918.db2.gz LINYCVJVNYHMQX-HKUYNNGSSA-N 1 0 370.497 2.677 20 10 FFCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000873050134 1013365220 /nfs/dbraw/zinc/36/52/20/1013365220.db2.gz KPXHOVBHWICUQS-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO COc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1Cn1cccn1 ZINC000873057699 1013366552 /nfs/dbraw/zinc/36/65/52/1013366552.db2.gz YDEIBKUMUOAKHN-UHFFFAOYSA-N 1 0 363.461 2.560 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNc3ccc(=O)n(C4CCC4)c3)cc2)CC1 ZINC001167437386 963272433 /nfs/dbraw/zinc/27/24/33/963272433.db2.gz TZSIMPKWKZWYIY-UHFFFAOYSA-N 1 0 352.482 2.937 20 10 FFCDRO Cn1nc2c(c1CN(Cc1ccco1)Cc1ccccc1O)COCC2 ZINC000891393145 963821808 /nfs/dbraw/zinc/82/18/08/963821808.db2.gz AAPQOWPOZDBEJR-UHFFFAOYSA-N 1 0 353.422 2.994 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1O ZINC000894297908 964321336 /nfs/dbraw/zinc/32/13/36/964321336.db2.gz KEJGLISWTGMXPH-UXHICEINSA-N 1 0 370.493 2.682 20 10 FFCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891631144 964656905 /nfs/dbraw/zinc/65/69/05/964656905.db2.gz NWXAUCSNACMZNH-CQSZACIVSA-N 1 0 366.458 2.899 20 10 FFCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)c1O ZINC000894361414 965008029 /nfs/dbraw/zinc/00/80/29/965008029.db2.gz IDJQIXCTTCOXHY-CQSZACIVSA-N 1 0 353.422 2.597 20 10 FFCDRO CC[NH+]1CCN(c2ccc(N(c3ccc(N)cc3)S(C)(=O)=O)cc2)CC1 ZINC001175781082 1013558063 /nfs/dbraw/zinc/55/80/63/1013558063.db2.gz BGDOKDQPYHZGDU-UHFFFAOYSA-N 1 0 374.510 2.508 20 10 FFCDRO COc1cc(C)cc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1O ZINC000894400858 965288391 /nfs/dbraw/zinc/28/83/91/965288391.db2.gz CXMYDMKYYLXNCU-UHFFFAOYSA-N 1 0 371.437 2.791 20 10 FFCDRO COc1ccc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894705824 965626644 /nfs/dbraw/zinc/62/66/44/965626644.db2.gz JHRHMYZUCNZWHF-UHFFFAOYSA-N 1 0 366.458 2.897 20 10 FFCDRO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000161390120 966923530 /nfs/dbraw/zinc/92/35/30/966923530.db2.gz GBQLFAROSZEDDK-XLIONFOSSA-N 1 0 359.514 2.792 20 10 FFCDRO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1O ZINC000067382601 967330651 /nfs/dbraw/zinc/33/06/51/967330651.db2.gz YZODQWORZWKDFC-OAHLLOKOSA-N 1 0 370.449 2.680 20 10 FFCDRO COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000892346428 967627682 /nfs/dbraw/zinc/62/76/82/967627682.db2.gz QYHKQIBSWMIKAH-ZDUSSCGKSA-N 1 0 355.438 2.607 20 10 FFCDRO Cc1ccc(CCNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nc1 ZINC000895281604 968942341 /nfs/dbraw/zinc/94/23/41/968942341.db2.gz HVQUXQAVLJAYKG-HXUWFJFHSA-N 1 0 369.513 2.601 20 10 FFCDRO C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(N(C)C)cc1 ZINC000773611948 1013859600 /nfs/dbraw/zinc/85/96/00/1013859600.db2.gz BGBBZPIMJGHSCV-INIZCTEOSA-N 1 0 353.470 2.740 20 10 FFCDRO CC[C@H](C)[N@H+](C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000066203086 969292137 /nfs/dbraw/zinc/29/21/37/969292137.db2.gz MGRZEAHOGRFXAS-WMZOPIPTSA-N 1 0 363.502 2.813 20 10 FFCDRO CN(C)c1ccc(CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000892605417 969572955 /nfs/dbraw/zinc/57/29/55/969572955.db2.gz PMLIXVHMOQSIBU-BCDXTJNWSA-N 1 0 356.514 2.957 20 10 FFCDRO COc1ccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)c(O)c1OC ZINC000892654910 969707701 /nfs/dbraw/zinc/70/77/01/969707701.db2.gz RUEPUUJCWRBBDS-UHFFFAOYSA-N 1 0 353.422 2.944 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)CC2)cc1 ZINC000892675128 969791169 /nfs/dbraw/zinc/79/11/69/969791169.db2.gz VEMNMJOLYBZSBI-WOJBJXKFSA-N 1 0 372.513 2.542 20 10 FFCDRO C[C@@H](NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)c1ccc(N(C)C)cc1 ZINC000875507873 1014036830 /nfs/dbraw/zinc/03/68/30/1014036830.db2.gz MFLGZQRGFCFVRM-QGZVFWFLSA-N 1 0 374.529 2.567 20 10 FFCDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc(-c3ccccc3)ccc1O)CC2 ZINC000897039574 973184055 /nfs/dbraw/zinc/18/40/55/973184055.db2.gz ASRUTRKYYBEMLU-IBGZPJMESA-N 1 0 366.461 2.522 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000653051981 1014216373 /nfs/dbraw/zinc/21/63/73/1014216373.db2.gz QJZOZJQUZMSPAS-KBXCAEBGSA-N 1 0 355.482 2.724 20 10 FFCDRO COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CCCC1 ZINC000653163243 1014242464 /nfs/dbraw/zinc/24/24/64/1014242464.db2.gz NHMYKEIKRDVLNX-CVEARBPZSA-N 1 0 369.509 2.972 20 10 FFCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000876558835 1014302968 /nfs/dbraw/zinc/30/29/68/1014302968.db2.gz WXMAUARPQDLMTR-UHFFFAOYSA-N 1 0 364.449 2.667 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000053999560 976091525 /nfs/dbraw/zinc/09/15/25/976091525.db2.gz SUEZPQPMIZFJTF-SFHVURJKSA-N 1 0 374.529 2.791 20 10 FFCDRO COc1cc(O)c(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1OC ZINC000898449296 976460547 /nfs/dbraw/zinc/46/05/47/976460547.db2.gz AOIVMBBYMAIANW-SFHVURJKSA-N 1 0 373.497 2.868 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)N2CC[C@]3(CC3(F)F)C2)[NH+](C)C)cc1 ZINC000899097612 976906297 /nfs/dbraw/zinc/90/62/97/976906297.db2.gz CJJXRUZGEGZEKQ-WMZOPIPTSA-N 1 0 366.456 2.796 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CC(CC(F)(F)F)C2)[NH+](C)C)cc1 ZINC000899102521 976913227 /nfs/dbraw/zinc/91/32/27/976913227.db2.gz QEKWFNATUGTUGP-MRXNPFEDSA-N 1 0 372.435 2.949 20 10 FFCDRO CN(C)[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1 ZINC000876893315 1014410634 /nfs/dbraw/zinc/41/06/34/1014410634.db2.gz FXXJECPRLMJDPL-QFIPXVFZSA-N 1 0 367.537 2.910 20 10 FFCDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000893943336 977608822 /nfs/dbraw/zinc/60/88/22/977608822.db2.gz PZHMMRKNYCVJDU-FQEVSTJZSA-N 1 0 359.422 2.630 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@]12CCCO2 ZINC000876965209 1014435096 /nfs/dbraw/zinc/43/50/96/1014435096.db2.gz DZABBAXLLYXIPL-YPAWHYETSA-N 1 0 374.525 2.712 20 10 FFCDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000876987516 1014441720 /nfs/dbraw/zinc/44/17/20/1014441720.db2.gz ZEHJOFPTXZDCMD-HNNXBMFYSA-N 1 0 357.454 2.879 20 10 FFCDRO OCC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877055245 1014462231 /nfs/dbraw/zinc/46/22/31/1014462231.db2.gz NZGFRTOKMBENJD-FQEVSTJZSA-N 1 0 354.494 2.904 20 10 FFCDRO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)c1ccc(N)cc1 ZINC000877076901 1014469853 /nfs/dbraw/zinc/46/98/53/1014469853.db2.gz SQYFWFBXBVKMQM-RBBKRZOGSA-N 1 0 365.477 2.770 20 10 FFCDRO CC[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC000126439876 1014527793 /nfs/dbraw/zinc/52/77/93/1014527793.db2.gz JEWNXARLLWIHNS-MRXNPFEDSA-N 1 0 362.493 2.909 20 10 FFCDRO OC1CCN(c2ccc(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)cc2)CC1 ZINC000877303915 1014543896 /nfs/dbraw/zinc/54/38/96/1014543896.db2.gz VWWYHGJSWQQQTE-IBGZPJMESA-N 1 0 374.525 2.665 20 10 FFCDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877464177 1014591582 /nfs/dbraw/zinc/59/15/82/1014591582.db2.gz HPOUPYVPLHELAT-HXUWFJFHSA-N 1 0 354.494 2.649 20 10 FFCDRO Cc1cccc(O)c1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000877522952 1014611399 /nfs/dbraw/zinc/61/13/99/1014611399.db2.gz GAKLVBCSHGFFPI-UHFFFAOYSA-N 1 0 355.482 2.820 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CC3(CO)CCCC3)CC2)cc1 ZINC000905082163 980375679 /nfs/dbraw/zinc/37/56/79/980375679.db2.gz LOELVOFUNRBZMY-IBGZPJMESA-N 1 0 362.514 2.557 20 10 FFCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1OC ZINC000897405436 980409401 /nfs/dbraw/zinc/40/94/01/980409401.db2.gz CWEZHJVVNTXJBY-CQSZACIVSA-N 1 0 366.458 2.851 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)CC3(O)CCCCC3)C2)cc1 ZINC000905288182 980414784 /nfs/dbraw/zinc/41/47/84/980414784.db2.gz AVAGXGKLXXEVAY-MJGOQNOKSA-N 1 0 362.514 2.557 20 10 FFCDRO CCOc1ccc(C[N@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c(O)c1 ZINC000877688267 1014682365 /nfs/dbraw/zinc/68/23/65/1014682365.db2.gz SAARIYLDBKCNBH-MJGOQNOKSA-N 1 0 369.465 2.795 20 10 FFCDRO C[C@@H]1CC2(CC(NC(=O)NC[C@@H](c3ccc(N(C)C)cc3)[NH+](C)C)C2)CO1 ZINC000897789078 982516712 /nfs/dbraw/zinc/51/67/12/982516712.db2.gz FGBOCLMQVDIHOL-SAQLVXJXSA-N 1 0 374.529 2.612 20 10 FFCDRO C[C@@H]1CC2(CC(NC(=O)NC[C@H](c3ccc(N(C)C)cc3)[NH+](C)C)C2)CO1 ZINC000897789080 982517446 /nfs/dbraw/zinc/51/74/46/982517446.db2.gz FGBOCLMQVDIHOL-YIBJRNTDSA-N 1 0 374.529 2.612 20 10 FFCDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N(Cc1ccccc1O)C1CCCCC1 ZINC000842009420 982562832 /nfs/dbraw/zinc/56/28/32/982562832.db2.gz ATUANQSCNTTZCJ-SFHVURJKSA-N 1 0 361.486 2.615 20 10 FFCDRO Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878239979 1014938654 /nfs/dbraw/zinc/93/86/54/1014938654.db2.gz COGYTIPHIMXKJA-OALUTQOASA-N 1 0 361.482 2.959 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CCOc3ccccc32)cc1 ZINC000911667096 983863516 /nfs/dbraw/zinc/86/35/16/983863516.db2.gz MSHKPNGCYFEGFE-RXVVDRJESA-N 1 0 353.466 2.609 20 10 FFCDRO COc1cccc2[nH]c(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)cc21 ZINC000911668187 983863699 /nfs/dbraw/zinc/86/36/99/983863699.db2.gz VXNRJGOOVMUCQY-INIZCTEOSA-N 1 0 352.438 2.672 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000911667235 983863948 /nfs/dbraw/zinc/86/39/48/983863948.db2.gz OZUOMOCDJYRQSI-OAGGEKHMSA-N 1 0 373.419 2.759 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912898304 984142832 /nfs/dbraw/zinc/14/28/32/984142832.db2.gz JCNHIIVDBROWDP-SFHVURJKSA-N 1 0 351.450 2.827 20 10 FFCDRO COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000163670427 984298529 /nfs/dbraw/zinc/29/85/29/984298529.db2.gz UZZFLXXDTRSRJD-NRFANRHFSA-N 1 0 371.456 2.996 20 10 FFCDRO CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)[C@@H](C)C1 ZINC001596916595 985948301 /nfs/dbraw/zinc/94/83/01/985948301.db2.gz GHUGBTCZYWNNNJ-MPGHIAIKSA-N 1 0 364.486 2.878 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)c1 ZINC000311310328 986408355 /nfs/dbraw/zinc/40/83/55/986408355.db2.gz UBLPWAWVGJRLRP-ZIAGYGMSSA-N 1 0 366.458 2.687 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3(C4CC4)CC3)cc2F)CC1 ZINC000761682431 987711428 /nfs/dbraw/zinc/71/14/28/987711428.db2.gz MPQOPPBBGUUGME-UHFFFAOYSA-N 1 0 360.477 2.709 20 10 FFCDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(N(C)C)cc1 ZINC000153291179 987848592 /nfs/dbraw/zinc/84/85/92/987848592.db2.gz ZMUWBNVAJXFVST-HKUYNNGSSA-N 1 0 372.465 2.962 20 10 FFCDRO C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765973794 987923059 /nfs/dbraw/zinc/92/30/59/987923059.db2.gz FRLSUVXROBFPBN-XMSQKQJNSA-N 1 0 373.541 2.817 20 10 FFCDRO COc1ccc(N2CCCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000176583213 987934310 /nfs/dbraw/zinc/93/43/10/987934310.db2.gz XZAZRBQYURXVKN-HKUYNNGSSA-N 1 0 374.529 2.790 20 10 FFCDRO Cn1cnc2cc(C[NH2+]Cc3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC000922483381 988629953 /nfs/dbraw/zinc/62/99/53/988629953.db2.gz XCWQKRSTHWRILJ-UHFFFAOYSA-N 1 0 354.429 2.839 20 10 FFCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1F ZINC000174812052 988886088 /nfs/dbraw/zinc/88/60/88/988886088.db2.gz PWWFITFAWUQPCN-KRWDZBQOSA-N 1 0 360.477 2.828 20 10 FFCDRO CCOc1cccc(C[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1O ZINC000922787963 988906025 /nfs/dbraw/zinc/90/60/25/988906025.db2.gz KRBFOMMBKVIYMX-PHZGNYQRSA-N 1 0 362.470 2.993 20 10 FFCDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(C)cc(OC)c1O ZINC000915803501 988922108 /nfs/dbraw/zinc/92/21/08/988922108.db2.gz FZLVLWZKYXBKJX-UHFFFAOYSA-N 1 0 360.429 2.987 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)CSc3ccc(O)cc3)cc2)CC1 ZINC000918862183 990512873 /nfs/dbraw/zinc/51/28/73/990512873.db2.gz VEQJBZISZYFEJG-UHFFFAOYSA-N 1 0 371.506 2.553 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H](C)C3CC3)CC2)cc1 ZINC000920053719 990786783 /nfs/dbraw/zinc/78/67/83/990786783.db2.gz IGTYVNKRBDGSDD-QGZVFWFLSA-N 1 0 374.529 2.553 20 10 FFCDRO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923008467 990793029 /nfs/dbraw/zinc/79/30/29/990793029.db2.gz DZOJYRSFVPTJCS-GRGXKFILSA-N 1 0 352.478 2.706 20 10 FFCDRO CCC(CC)[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000920409848 990844738 /nfs/dbraw/zinc/84/47/38/990844738.db2.gz OOOSDKMVBBZQDF-UHFFFAOYSA-N 1 0 359.514 2.997 20 10 FFCDRO Cc1cc(C(=O)CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)n1-c1ccc(F)cn1 ZINC000879579705 1015596275 /nfs/dbraw/zinc/59/62/75/1015596275.db2.gz OOCUHRNFMFSABP-QFBILLFUSA-N 1 0 370.472 2.837 20 10 FFCDRO Cc1cc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1N(C)C ZINC000923340459 991080578 /nfs/dbraw/zinc/08/05/78/991080578.db2.gz FAYGEADOYACJJD-FQEVSTJZSA-N 1 0 367.541 2.939 20 10 FFCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1O ZINC000879648596 1015625296 /nfs/dbraw/zinc/62/52/96/1015625296.db2.gz VJLZUYNDTOSHNO-CVEARBPZSA-N 1 0 369.465 2.907 20 10 FFCDRO Cn1c(CN(Cc2ccccc2O)C[C@H]2CCCO2)nnc1C1CCC1 ZINC000181461154 991772678 /nfs/dbraw/zinc/77/26/78/991772678.db2.gz BMHDIOQHATZLNB-QGZVFWFLSA-N 1 0 356.470 2.969 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000182375062 992024862 /nfs/dbraw/zinc/02/48/62/992024862.db2.gz BCPSPXVWTNGBDX-GFCCVEGCSA-N 1 0 359.382 2.988 20 10 FFCDRO CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123999 992410607 /nfs/dbraw/zinc/41/06/07/992410607.db2.gz ONEVYCLVZOFMRH-IBGZPJMESA-N 1 0 359.514 2.746 20 10 FFCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cccc(I)c3O)[C@H]2C1 ZINC001237781648 992713392 /nfs/dbraw/zinc/71/33/92/992713392.db2.gz ZHOIXYSPPBWQNC-RISCZKNCSA-N 1 0 372.250 2.523 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(OC)ccc3O)c2)CC1 ZINC000184281059 992715396 /nfs/dbraw/zinc/71/53/96/992715396.db2.gz OKGNLXZDKVLTGX-UHFFFAOYSA-N 1 0 355.438 2.795 20 10 FFCDRO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(C#N)c3)c2)CC1 ZINC000185159135 993203228 /nfs/dbraw/zinc/20/32/28/993203228.db2.gz YCYNOAYQYCUMTL-UHFFFAOYSA-N 1 0 370.478 2.501 20 10 FFCDRO CCOc1ccc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)c(O)c1 ZINC000808435886 994116693 /nfs/dbraw/zinc/11/66/93/994116693.db2.gz BCOXXXXBOHTFLO-HNNXBMFYSA-N 1 0 358.438 2.891 20 10 FFCDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)c2cccnc2)ccc1N1CCCCC1 ZINC000808431800 994126537 /nfs/dbraw/zinc/12/65/37/994126537.db2.gz ZGHCRRZMUUZRQI-SFHVURJKSA-N 1 0 370.453 2.846 20 10 FFCDRO CCC(CC)[N@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000808782195 994259720 /nfs/dbraw/zinc/25/97/20/994259720.db2.gz JHRDBDAQYLMQJL-UHFFFAOYSA-N 1 0 365.493 2.789 20 10 FFCDRO COC(=O)c1cc(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)cn1C ZINC000809612523 994549867 /nfs/dbraw/zinc/54/98/67/994549867.db2.gz PRUWTOHPPJRTPD-UHFFFAOYSA-N 1 0 357.454 2.579 20 10 FFCDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000809691563 994567959 /nfs/dbraw/zinc/56/79/59/994567959.db2.gz OCENUFAZFCBORC-LJQANCHMSA-N 1 0 361.486 2.624 20 10 FFCDRO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000809688172 994580803 /nfs/dbraw/zinc/58/08/03/994580803.db2.gz CYTREMKAJPPSML-IBGZPJMESA-N 1 0 374.506 2.915 20 10 FFCDRO CCOC(=O)c1cnn(C2CC[NH+](Cc3c(O)cccc3OC)CC2)c1C ZINC000809687925 994581016 /nfs/dbraw/zinc/58/10/16/994581016.db2.gz VJOBWSMSTVBMGM-UHFFFAOYSA-N 1 0 373.453 2.920 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2C)cc1C ZINC001082428735 994607163 /nfs/dbraw/zinc/60/71/63/994607163.db2.gz COUWVRXTOXVRIW-DNVCBOLYSA-N 1 0 353.466 2.957 20 10 FFCDRO CCc1nc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OC)c(C)c3)C2)co1 ZINC001082484906 994726001 /nfs/dbraw/zinc/72/60/01/994726001.db2.gz AOXBEXXYWLMIDB-GDBMZVCRSA-N 1 0 357.454 2.804 20 10 FFCDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000812511308 995461233 /nfs/dbraw/zinc/46/12/33/995461233.db2.gz XWOZIEJUHFHVOY-WMZOPIPTSA-N 1 0 363.502 2.812 20 10 FFCDRO COC(=O)c1oc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cc1C ZINC000825138531 997226837 /nfs/dbraw/zinc/22/68/37/997226837.db2.gz OQTPVXFXMJJDMW-UHFFFAOYSA-N 1 0 372.465 2.873 20 10 FFCDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000730787727 997482017 /nfs/dbraw/zinc/48/20/17/997482017.db2.gz PUZOSNDXABYROU-QGZVFWFLSA-N 1 0 359.445 2.684 20 10 FFCDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000844173541 997692862 /nfs/dbraw/zinc/69/28/62/997692862.db2.gz HXDJAAWLYBURAW-RTWAWAEBSA-N 1 0 373.541 2.809 20 10 FFCDRO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000844174193 997694958 /nfs/dbraw/zinc/69/49/58/997694958.db2.gz PFPIEAWNGVKEAH-INIZCTEOSA-N 1 0 367.493 2.845 20 10 FFCDRO COc1ccc(C2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)nc1 ZINC000844713563 998084751 /nfs/dbraw/zinc/08/47/51/998084751.db2.gz UUMSNRAQMBQHNF-LJQANCHMSA-N 1 0 356.422 2.601 20 10 FFCDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC(=O)NCC(F)(F)F ZINC000731846095 998273981 /nfs/dbraw/zinc/27/39/81/998273981.db2.gz RCWYZPBAPYLLTR-UHFFFAOYSA-N 1 0 373.375 2.525 20 10 FFCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000845023352 998299813 /nfs/dbraw/zinc/29/98/13/998299813.db2.gz TUPDSZLASZYVGH-WMZOPIPTSA-N 1 0 362.518 2.646 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499527 998609093 /nfs/dbraw/zinc/60/90/93/998609093.db2.gz HTPWSDDQFYCDFU-GFCCVEGCSA-N 1 0 352.431 2.683 20 10 FFCDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001144503723 998612271 /nfs/dbraw/zinc/61/22/71/998612271.db2.gz BDCVQJJSKJMQEH-IBGZPJMESA-N 1 0 364.442 2.636 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509211 998622796 /nfs/dbraw/zinc/62/27/96/998622796.db2.gz PDJPZKKTCACZSZ-LBPRGKRZSA-N 1 0 352.431 2.540 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514565 998626299 /nfs/dbraw/zinc/62/62/99/998626299.db2.gz KSRGPRVFWDJWSB-UHFFFAOYSA-N 1 0 354.406 2.862 20 10 FFCDRO COc1ccc(Cl)cc1N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514461 998626453 /nfs/dbraw/zinc/62/64/53/998626453.db2.gz FWXCVNACCFQVPP-UHFFFAOYSA-N 1 0 364.829 2.788 20 10 FFCDRO CN(Cc1cnn(-c2ccccc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410477 998659985 /nfs/dbraw/zinc/65/99/85/998659985.db2.gz BRNOXYBCNNSHDX-UHFFFAOYSA-N 1 0 351.454 2.844 20 10 FFCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000732456404 998671386 /nfs/dbraw/zinc/67/13/86/998671386.db2.gz PWJYSECNTZEZEY-IEBWSBKVSA-N 1 0 374.529 2.756 20 10 FFCDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc4ccccc4o3)cc2)CC1 ZINC000733330742 998964108 /nfs/dbraw/zinc/96/41/08/998964108.db2.gz LBDSKXGWWMAXNY-UHFFFAOYSA-N 1 0 370.474 2.957 20 10 FFCDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000739926558 999657911 /nfs/dbraw/zinc/65/79/11/999657911.db2.gz HIJBSOCSGPWBEL-GOSISDBHSA-N 1 0 359.514 2.998 20 10 FFCDRO CN(C)c1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000741258905 999717153 /nfs/dbraw/zinc/71/71/53/999717153.db2.gz QWDWZHCEBKPJON-NRFANRHFSA-N 1 0 357.473 2.618 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3ccco3)CC2)cc1 ZINC000741526018 999730066 /nfs/dbraw/zinc/73/00/66/999730066.db2.gz OSHFQHTVYUZZMJ-QGZVFWFLSA-N 1 0 371.481 2.720 20 10 FFCDRO CC(C)[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(N(C)C)cc1 ZINC000741804331 999745078 /nfs/dbraw/zinc/74/50/78/999745078.db2.gz CMSASITZPWCMGJ-UHFFFAOYSA-N 1 0 372.513 2.828 20 10 FFCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)c(O)c1 ZINC000742373029 999772519 /nfs/dbraw/zinc/77/25/19/999772519.db2.gz LYQDRIKPMKOXGT-KRWDZBQOSA-N 1 0 370.449 2.560 20 10 FFCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000744385286 999854814 /nfs/dbraw/zinc/85/48/14/999854814.db2.gz XATZRJKLWVLEQM-LJQANCHMSA-N 1 0 369.513 2.812 20 10 FFCDRO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000745779153 999930632 /nfs/dbraw/zinc/93/06/32/999930632.db2.gz MYXGMMPGFRQMTG-FUHIMQAGSA-N 1 0 374.529 2.708 20 10 FFCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746421052 999987921 /nfs/dbraw/zinc/98/79/21/999987921.db2.gz HXDIGURAUZEFHM-SFHVURJKSA-N 1 0 358.530 2.934 20 10 FFCDRO CCCN(Cc1ccccc1O)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000767171281 1000101455 /nfs/dbraw/zinc/10/14/55/1000101455.db2.gz TUYMZNJUXNIFGN-UHFFFAOYSA-N 1 0 368.481 2.591 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000845972297 1000188274 /nfs/dbraw/zinc/18/82/74/1000188274.db2.gz MHKQXCZSPQOBFM-LLVKDONJSA-N 1 0 360.366 2.931 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)c1O ZINC000846147384 1000209200 /nfs/dbraw/zinc/20/92/00/1000209200.db2.gz UNDDFDPMFGRGTD-IAGOWNOFSA-N 1 0 370.497 2.657 20 10 FFCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1O ZINC000846166319 1000215000 /nfs/dbraw/zinc/21/50/00/1000215000.db2.gz VIFQABBDYJZKIZ-PBHICJAKSA-N 1 0 355.438 2.638 20 10 FFCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1O ZINC000846146601 1000218495 /nfs/dbraw/zinc/21/84/95/1000218495.db2.gz RLEWGHDWWWQUFD-XKGZKEIXSA-N 1 0 370.493 2.934 20 10 FFCDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000846187316 1000225754 /nfs/dbraw/zinc/22/57/54/1000225754.db2.gz KKHJSLLKABVPOI-MJGOQNOKSA-N 1 0 374.506 2.690 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445902 1000250339 /nfs/dbraw/zinc/25/03/39/1000250339.db2.gz KDNVPKYNJZIWSZ-IIBYNOLFSA-N 1 0 368.477 2.914 20 10 FFCDRO Oc1cc2c(cc1C[NH2+]C1(c3cccc(F)c3)CCOCC1)[C@H](O)CO2 ZINC000768465016 1000263349 /nfs/dbraw/zinc/26/33/49/1000263349.db2.gz JCLURXMSTRTPOJ-GOSISDBHSA-N 1 0 359.397 2.753 20 10 FFCDRO Cn1nnc2cc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)ccc21 ZINC000768542706 1000291829 /nfs/dbraw/zinc/29/18/29/1000291829.db2.gz XEPZSPCTSJSBBQ-KRWDZBQOSA-N 1 0 352.438 2.855 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000846662905 1000403368 /nfs/dbraw/zinc/40/33/68/1000403368.db2.gz BDMZSWYTSNVMLS-LJQANCHMSA-N 1 0 350.466 2.603 20 10 FFCDRO Cc1cccc2c(CC(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)c[nH]c21 ZINC000846663233 1000408562 /nfs/dbraw/zinc/40/85/62/1000408562.db2.gz FYQNSJBKSXVACG-IBGZPJMESA-N 1 0 350.466 2.901 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1F ZINC000769532690 1000543713 /nfs/dbraw/zinc/54/37/13/1000543713.db2.gz KBWDQAUIRBBEIX-UHFFFAOYSA-N 1 0 355.413 2.620 20 10 FFCDRO C[N@H+](CCC(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000769691214 1000576812 /nfs/dbraw/zinc/57/68/12/1000576812.db2.gz SLBJNJYYLNTXMG-UHFFFAOYSA-N 1 0 359.514 2.794 20 10 FFCDRO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148591262 1001178081 /nfs/dbraw/zinc/17/80/81/1001178081.db2.gz WIEVWMAJEUAYBQ-SHTZXODSSA-N 1 0 374.412 2.855 20 10 FFCDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000786160062 1001540242 /nfs/dbraw/zinc/54/02/42/1001540242.db2.gz CASQCRUTPHTCAZ-IBGZPJMESA-N 1 0 358.457 2.664 20 10 FFCDRO COCC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000787334392 1001683261 /nfs/dbraw/zinc/68/32/61/1001683261.db2.gz LCJMECTWNHVZIL-QGZVFWFLSA-N 1 0 363.458 2.822 20 10 FFCDRO C/C=C(\C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)[C@H](OCC)C1 ZINC001087041203 1001728100 /nfs/dbraw/zinc/72/81/00/1001728100.db2.gz BQHAJEFDZXDEQG-OILQGCAXSA-N 1 0 360.498 2.923 20 10 FFCDRO C[NH+](C)CCOCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000788020072 1001750543 /nfs/dbraw/zinc/75/05/43/1001750543.db2.gz WDQRMDKWKOYYDH-UHFFFAOYSA-N 1 0 363.502 2.815 20 10 FFCDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788549349 1001819531 /nfs/dbraw/zinc/81/95/31/1001819531.db2.gz WBNFGBZAWGCCIL-HLLBOEOZSA-N 1 0 361.465 2.599 20 10 FFCDRO CC[C@@H](Cn1cncn1)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000788590489 1001828288 /nfs/dbraw/zinc/82/82/88/1001828288.db2.gz WFXFGPRVZQKONB-AWEZNQCLSA-N 1 0 365.428 2.917 20 10 FFCDRO CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(Br)cc1O ZINC001182388514 1001828660 /nfs/dbraw/zinc/82/86/60/1001828660.db2.gz UVYSDHHSXBEGLY-UHFFFAOYSA-N 1 0 370.268 2.848 20 10 FFCDRO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001183269499 1002220514 /nfs/dbraw/zinc/22/05/14/1002220514.db2.gz MGJDYEPKIVGWAX-IBGZPJMESA-N 1 0 370.493 2.906 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC001183533410 1002312254 /nfs/dbraw/zinc/31/22/54/1002312254.db2.gz LCFGDKWQOGIOHH-UHFFFAOYSA-N 1 0 359.514 2.821 20 10 FFCDRO CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 ZINC000774652862 1002324932 /nfs/dbraw/zinc/32/49/32/1002324932.db2.gz PRWFZJZFLIDBDH-QGZVFWFLSA-N 1 0 362.470 2.606 20 10 FFCDRO Cc1cc(C[NH+]2CCC(N3CCOCC3)CC2)c(O)cc1Br ZINC001250120707 1002339770 /nfs/dbraw/zinc/33/97/70/1002339770.db2.gz NRFMYOQBIIRUJR-UHFFFAOYSA-N 1 0 369.303 2.760 20 10 FFCDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000790515115 1002402858 /nfs/dbraw/zinc/40/28/58/1002402858.db2.gz YVZSRGPOSOLDJV-IBGZPJMESA-N 1 0 356.514 2.982 20 10 FFCDRO C[C@]12CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]1C[N@H+](CC1CC1)C2 ZINC001092311035 1002653553 /nfs/dbraw/zinc/65/35/53/1002653553.db2.gz GAMZZOMIBZWHGO-BEFAXECRSA-N 1 0 355.442 2.653 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(O)c1 ZINC000792759361 1003172697 /nfs/dbraw/zinc/17/26/97/1003172697.db2.gz CDLQGEVUEOYRAC-INIZCTEOSA-N 1 0 359.426 2.630 20 10 FFCDRO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000792805321 1003190117 /nfs/dbraw/zinc/19/01/17/1003190117.db2.gz FLEYCGPNTIOCLP-QZTJIDSGSA-N 1 0 371.447 2.802 20 10 FFCDRO COc1ccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c(O)c1 ZINC000792906507 1003225264 /nfs/dbraw/zinc/22/52/64/1003225264.db2.gz DKMSLMMLOBZKLG-GOSISDBHSA-N 1 0 357.454 2.811 20 10 FFCDRO COc1ccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC000793083185 1003273164 /nfs/dbraw/zinc/27/31/64/1003273164.db2.gz AKFASULPLLFRHF-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO COc1ccc(C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)c(O)c1 ZINC000793387783 1003360105 /nfs/dbraw/zinc/36/01/05/1003360105.db2.gz AAWMBOVFDSPZTM-CQSZACIVSA-N 1 0 358.438 2.837 20 10 FFCDRO COc1cc(C(=O)NCC2CC[NH+](C3CCCCC3)CC2)cc(O)c1O ZINC001193113735 1004377583 /nfs/dbraw/zinc/37/75/83/1004377583.db2.gz AGEDOBSKOSKUNL-UHFFFAOYSA-N 1 0 362.470 2.881 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC[C@H]2C[C@H]21 ZINC000807062776 1004499471 /nfs/dbraw/zinc/49/94/71/1004499471.db2.gz KABNXNOIOKKWGB-PZJWPPBQSA-N 1 0 368.525 2.913 20 10 FFCDRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000775832004 1004543527 /nfs/dbraw/zinc/54/35/27/1004543527.db2.gz WCDMIQRBRZTXKA-MRXNPFEDSA-N 1 0 368.481 2.819 20 10 FFCDRO C[C@@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(N(C)C)cc1 ZINC000775834695 1004562986 /nfs/dbraw/zinc/56/29/86/1004562986.db2.gz CTUMLJFKGDVZCC-DNVCBOLYSA-N 1 0 353.466 2.523 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(C)n(C)n3)C2)cc1C ZINC001086654478 1004668074 /nfs/dbraw/zinc/66/80/74/1004668074.db2.gz OJXLBPNTDZVKGL-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCC(C(=O)C(F)(F)F)CC3)cc2)CC1 ZINC000776008961 1005004975 /nfs/dbraw/zinc/00/49/75/1005004975.db2.gz PVYQULANKLGCOG-UHFFFAOYSA-N 1 0 369.431 2.782 20 10 FFCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000105206834 1005008044 /nfs/dbraw/zinc/00/80/44/1005008044.db2.gz BRGTZHVGKXLUMB-SFHVURJKSA-N 1 0 358.530 2.989 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@@H]3C(C)C)CC2)cc1 ZINC000776036924 1005057448 /nfs/dbraw/zinc/05/74/48/1005057448.db2.gz BRXJHIFOPBDSAY-HXUWFJFHSA-N 1 0 374.529 2.647 20 10 FFCDRO COc1cc(O)c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1OC ZINC000776174317 1005215564 /nfs/dbraw/zinc/21/55/64/1005215564.db2.gz MJCIOWIOTKJYOJ-UHFFFAOYSA-N 1 0 362.470 2.680 20 10 FFCDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850035164 1005780140 /nfs/dbraw/zinc/78/01/40/1005780140.db2.gz WKIPHOYYFFFMLG-UHFFFAOYSA-N 1 0 372.366 2.704 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc4nc(C)cc(C)n34)C2)cc1 ZINC000850347432 1005809035 /nfs/dbraw/zinc/80/90/35/1005809035.db2.gz RYVMHARAUSEWNJ-MRXNPFEDSA-N 1 0 351.454 2.723 20 10 FFCDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccc3C(=O)N(C)C)C2)cc1 ZINC000850347359 1005809283 /nfs/dbraw/zinc/80/92/83/1005809283.db2.gz QVAIIHQLQAYMLM-QGZVFWFLSA-N 1 0 353.466 2.766 20 10 FFCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 ZINC000850359454 1005811169 /nfs/dbraw/zinc/81/11/69/1005811169.db2.gz IEHOAQYJVCHIAQ-HNNXBMFYSA-N 1 0 356.422 2.695 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)cc1 ZINC000850396296 1005812886 /nfs/dbraw/zinc/81/28/86/1005812886.db2.gz ITTRSZYDXJTFPN-INIZCTEOSA-N 1 0 359.514 2.901 20 10 FFCDRO COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc2c1OCO2 ZINC000850404992 1005813426 /nfs/dbraw/zinc/81/34/26/1005813426.db2.gz HFWXAPQLZACMGF-UHFFFAOYSA-N 1 0 370.449 2.675 20 10 FFCDRO Cc1nn2c(C[NH2+]Cc3ccc(N4CCC(O)CC4)cc3)c(C)nc2s1 ZINC000850405977 1005813714 /nfs/dbraw/zinc/81/37/14/1005813714.db2.gz MPTLVJFMUOHXLJ-UHFFFAOYSA-N 1 0 371.510 2.659 20 10 FFCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c(C(C)(C)C)n1 ZINC000850405772 1005813757 /nfs/dbraw/zinc/81/37/57/1005813757.db2.gz CYKYXPWJKDOSOY-UHFFFAOYSA-N 1 0 356.514 2.969 20 10 FFCDRO COc1ccc(N2CCN(CCC[NH2+][C@H](C)C3(OC)CCC3)CC2)cc1 ZINC000850422624 1005814777 /nfs/dbraw/zinc/81/47/77/1005814777.db2.gz XHOHBLMXXZPRKC-GOSISDBHSA-N 1 0 361.530 2.755 20 10 FFCDRO COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3cc(OC)ccc3O)CC2=O)cc1 ZINC000850515311 1005819942 /nfs/dbraw/zinc/81/99/42/1005819942.db2.gz KEHKCAWFVUWFKW-KGLIPLIRSA-N 1 0 356.422 2.866 20 10 FFCDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850569174 1005823110 /nfs/dbraw/zinc/82/31/10/1005823110.db2.gz WIFXLUOHJYULCJ-IBGZPJMESA-N 1 0 362.514 2.569 20 10 FFCDRO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1O ZINC000109773763 1005862720 /nfs/dbraw/zinc/86/27/20/1005862720.db2.gz OMCUEFKKYFZIOA-UHFFFAOYSA-N 1 0 368.477 2.689 20 10 FFCDRO NC(=O)[C@@](O)(C[N@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000851771832 1005912938 /nfs/dbraw/zinc/91/29/38/1005912938.db2.gz PURBZXQEISYAFP-OAQYLSRUSA-N 1 0 354.450 2.510 20 10 FFCDRO CC(C)(C)n1nnc(CC[N@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000851841515 1005917014 /nfs/dbraw/zinc/91/70/14/1005917014.db2.gz UWUNEUMXQSOKFV-UHFFFAOYSA-N 1 0 355.442 2.972 20 10 FFCDRO COc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1OC(C)C ZINC000852791535 1006185096 /nfs/dbraw/zinc/18/50/96/1006185096.db2.gz IVQXRTOFMDCKTK-SFHVURJKSA-N 1 0 371.481 2.978 20 10 FFCDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000852860446 1006209580 /nfs/dbraw/zinc/20/95/80/1006209580.db2.gz RCKPMBULGWKZHG-IBGZPJMESA-N 1 0 361.530 2.523 20 10 FFCDRO O=C(C=C1CC[NH2+]CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000852862881 1006211871 /nfs/dbraw/zinc/21/18/71/1006211871.db2.gz MEZZTGZZIAEXOS-UHFFFAOYSA-N 1 0 365.424 2.683 20 10 FFCDRO Cc1nc(CC(C)C)oc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854152 1006243527 /nfs/dbraw/zinc/24/35/27/1006243527.db2.gz UWDGCNWANBLBGR-UHFFFAOYSA-N 1 0 370.497 2.863 20 10 FFCDRO O[C@H](C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccn1 ZINC000853101092 1006297393 /nfs/dbraw/zinc/29/73/93/1006297393.db2.gz UCAYYDKCHCKRRQ-RDTXWAMCSA-N 1 0 363.408 2.975 20 10 FFCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3c(C)ncn3C)C2)cc1C ZINC001086724821 1006427980 /nfs/dbraw/zinc/42/79/80/1006427980.db2.gz UNSZNTMIUUFOOU-ZWKOTPCHSA-N 1 0 370.497 2.734 20 10 FFCDRO COc1cc(C)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000853531899 1006430870 /nfs/dbraw/zinc/43/08/70/1006430870.db2.gz LHIBHWXWFWNQEH-CTNGQTDRSA-N 1 0 368.477 2.794 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[C@@H]4C3)cc2F)CC1 ZINC000853694445 1006508055 /nfs/dbraw/zinc/50/80/55/1006508055.db2.gz ORUXQLMERODODN-IAGOWNOFSA-N 1 0 360.477 2.519 20 10 FFCDRO COc1ccc(N2CC[C@@H](Nc3cc(N4CCSCC4)ncn3)C2)cc1 ZINC000853758597 1006527245 /nfs/dbraw/zinc/52/72/45/1006527245.db2.gz HZYZNHGFAWRGFZ-OAHLLOKOSA-N 1 0 371.510 2.729 20 10 FFCDRO O=S1(=O)CCN(c2ccc(CNc3cc[nH+]c4ccccc34)cc2)CC1 ZINC000853790639 1006536734 /nfs/dbraw/zinc/53/67/34/1006536734.db2.gz HVZASKSENPXWRS-UHFFFAOYSA-N 1 0 367.474 2.504 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)NOCc3ccc(F)cc3)cc2)CC1 ZINC000883614442 1006909179 /nfs/dbraw/zinc/90/91/79/1006909179.db2.gz HXXCOHJNJJTDEN-UHFFFAOYSA-N 1 0 372.444 2.509 20 10 FFCDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000775253922 1007091994 /nfs/dbraw/zinc/09/19/94/1007091994.db2.gz CKLPMVBQXLVUID-RXVVDRJESA-N 1 0 370.493 2.922 20 10 FFCDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258564 1007128041 /nfs/dbraw/zinc/12/80/41/1007128041.db2.gz DYARONAZRIVOHG-WIYYLYMNSA-N 1 0 370.493 2.922 20 10 FFCDRO C[C@H]([NH2+]CC(=O)Nc1ccc(O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000775260948 1007135884 /nfs/dbraw/zinc/13/58/84/1007135884.db2.gz RQNYPOSNVUAHCX-HNNXBMFYSA-N 1 0 355.438 2.518 20 10 FFCDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2O)c1 ZINC000775368793 1007510478 /nfs/dbraw/zinc/51/04/78/1007510478.db2.gz GCDHUARPAIMELE-GDBMZVCRSA-N 1 0 361.438 2.638 20 10 FFCDRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000775371063 1007536976 /nfs/dbraw/zinc/53/69/76/1007536976.db2.gz SASASOJKTDHOTI-HOCLYGCPSA-N 1 0 361.438 2.638 20 10 FFCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000775376767 1007590604 /nfs/dbraw/zinc/59/06/04/1007590604.db2.gz ZNCSJCDDRGNRJQ-CQSZACIVSA-N 1 0 353.422 2.688 20 10 FFCDRO CC1(C)C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](CO)O1 ZINC000817412400 1007591733 /nfs/dbraw/zinc/59/17/33/1007591733.db2.gz KKLZQRVLNYEGOC-LJQANCHMSA-N 1 0 357.450 2.943 20 10 FFCDRO COc1ccc(N2CCN(CC[NH2+][C@H](C)C3(OC)CCCC3)CC2)cc1 ZINC000817575491 1007654777 /nfs/dbraw/zinc/65/47/77/1007654777.db2.gz XPFUNTLQMPLTQI-GOSISDBHSA-N 1 0 361.530 2.755 20 10 FFCDRO OC[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCc2ccccc21 ZINC000135909416 1007710157 /nfs/dbraw/zinc/71/01/57/1007710157.db2.gz QAUDZQOSXUHIFY-OAQYLSRUSA-N 1 0 356.441 2.586 20 10 FFCDRO CC(C)[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[NH+]1CCCCC1 ZINC000856210731 1007726023 /nfs/dbraw/zinc/72/60/23/1007726023.db2.gz OMJANHUFQTVMPX-OAQYLSRUSA-N 1 0 373.541 2.774 20 10 FFCDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940263 1007817985 /nfs/dbraw/zinc/81/79/85/1007817985.db2.gz FCBMLSRKQWZQFB-ZPMCFJSWSA-N 1 0 367.541 2.648 20 10 FFCDRO Nc1ccc(Cc2nc(C(=O)NCC3CC[NH+](C4CC4)CC3)cs2)cc1 ZINC000818000360 1007831942 /nfs/dbraw/zinc/83/19/42/1007831942.db2.gz PGBHXTSRLNUCAG-UHFFFAOYSA-N 1 0 370.522 2.920 20 10 FFCDRO C[NH+](C)[C@@H]1CCc2cc(N3C(=O)CN(Cc4ccccc4O)C3=O)ccc21 ZINC000819008680 1008008068 /nfs/dbraw/zinc/00/80/68/1008008068.db2.gz XXFJETOQRPLULS-GOSISDBHSA-N 1 0 365.433 2.910 20 10 FFCDRO CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)cc1 ZINC000819094763 1008032463 /nfs/dbraw/zinc/03/24/63/1008032463.db2.gz LNBXBJNEIKLCBM-OAQYLSRUSA-N 1 0 366.461 2.795 20 10 FFCDRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2C)cc1 ZINC000819076751 1008037891 /nfs/dbraw/zinc/03/78/91/1008037891.db2.gz FRDNLNSJAIBHAG-FQEVSTJZSA-N 1 0 371.481 2.549 20 10 FFCDRO C[C@@H]1CCCC[N@@H+]1CCCCN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165342 1008054577 /nfs/dbraw/zinc/05/45/77/1008054577.db2.gz UUKHRGXWFRUHPO-MRXNPFEDSA-N 1 0 359.470 2.811 20 10 FFCDRO C[NH+](C)[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)c1ccc(F)cc1 ZINC000819165381 1008054718 /nfs/dbraw/zinc/05/47/18/1008054718.db2.gz VICJNVGBPNXQCN-QGZVFWFLSA-N 1 0 371.412 2.598 20 10 FFCDRO COc1ccc(N2CC[C@@H](C[NH2+]CCS(=O)(=O)c3ccccc3)C2)cc1 ZINC000819379001 1008127295 /nfs/dbraw/zinc/12/72/95/1008127295.db2.gz BQFYGNRWSQNDSW-KRWDZBQOSA-N 1 0 374.506 2.585 20 10 FFCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)COc3ccccc3)C2)cc1 ZINC000819381039 1008127977 /nfs/dbraw/zinc/12/79/77/1008127977.db2.gz UPYIBMXXWDHBHX-MJGOQNOKSA-N 1 0 356.466 2.551 20 10 FFCDRO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000115811036 1008289785 /nfs/dbraw/zinc/28/97/85/1008289785.db2.gz CROYDDXVZVOGCH-ROUUACIJSA-N 1 0 374.529 2.567 20 10 FFCDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)c2c(F)cccc2F)cc1F ZINC000858135249 1008308314 /nfs/dbraw/zinc/30/83/14/1008308314.db2.gz PQCPTBFJNQKBCX-UHFFFAOYSA-N 1 0 369.362 2.829 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3cc4cnccc4o3)cc2)CC1 ZINC000886324841 1008636766 /nfs/dbraw/zinc/63/67/66/1008636766.db2.gz JDARPYCZQJAGTA-UHFFFAOYSA-N 1 0 364.449 2.819 20 10 FFCDRO NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000886324633 1008637868 /nfs/dbraw/zinc/63/78/68/1008637868.db2.gz AJEUSMCEEYSDHJ-IBGZPJMESA-N 1 0 371.525 2.970 20 10 FFCDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1ccc(N3CCC(O)CC3)cc1)O2 ZINC000886335722 1008640892 /nfs/dbraw/zinc/64/08/92/1008640892.db2.gz GWTOVPLWSNFOKA-WOSNLTMFSA-N 1 0 374.525 2.710 20 10 FFCDRO O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001177617096 1008682425 /nfs/dbraw/zinc/68/24/25/1008682425.db2.gz FIXTVGHJLZWDIV-UHFFFAOYSA-N 1 0 355.457 2.874 20 10 FFCDRO COc1ccc(N2CC[C@@H](CNC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000822692416 1008735975 /nfs/dbraw/zinc/73/59/75/1008735975.db2.gz ZETRFDREDPKIOH-MSOLQXFVSA-N 1 0 374.529 2.553 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)C1(C)C ZINC000886747567 1008858045 /nfs/dbraw/zinc/85/80/45/1008858045.db2.gz YGXJSIXWFJRWLR-RTBURBONSA-N 1 0 359.514 2.682 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H]3CCO[C@H](c4nccn4C)C3)CC2)cc1 ZINC001178931983 1009178896 /nfs/dbraw/zinc/17/88/96/1009178896.db2.gz URFSPKXTROYJMO-PXNSSMCTSA-N 1 0 370.497 2.907 20 10 FFCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)N(C)C)cc1 ZINC001179752397 1009440915 /nfs/dbraw/zinc/44/09/15/1009440915.db2.gz SRQKXJWAFUULMT-LJQANCHMSA-N 1 0 355.482 2.916 20 10 FFCDRO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCc2cncn2C1 ZINC000861663894 1009501613 /nfs/dbraw/zinc/50/16/13/1009501613.db2.gz OTFZJVADXOFKBO-KRWDZBQOSA-N 1 0 362.433 2.848 20 10 FFCDRO CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OC)[C@@H](c3ccc(O)cc3)C2)c(O)c1 ZINC000862496743 1009857966 /nfs/dbraw/zinc/85/79/66/1009857966.db2.gz GWGKCRRAFIIZBQ-MOPGFXCFSA-N 1 0 371.433 2.885 20 10 FFCDRO CCC(CC)(CC)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000118989768 1009892906 /nfs/dbraw/zinc/89/29/06/1009892906.db2.gz UDTVEVHBNXFEDQ-UHFFFAOYSA-N 1 0 365.493 2.837 20 10 FFCDRO C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669915 1010047933 /nfs/dbraw/zinc/04/79/33/1010047933.db2.gz HAXZVARZZKFLSV-MRXNPFEDSA-N 1 0 356.470 2.934 20 10 FFCDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)c2ccc(N)cc2)CC1 ZINC000863558791 1010255114 /nfs/dbraw/zinc/25/51/14/1010255114.db2.gz XRZGGCCDCJYSBA-UHFFFAOYSA-N 1 0 366.509 2.748 20 10 FFCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[C@@H]3CCOC3)C[C@H]2C)cc1C ZINC001093685244 1010447683 /nfs/dbraw/zinc/44/76/83/1010447683.db2.gz APPVFOOZIRYPTP-NZSAHSFTSA-N 1 0 360.498 2.614 20 10 FFCDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001182325541 1010507203 /nfs/dbraw/zinc/50/72/03/1010507203.db2.gz AEEMEHLNIQCZFT-LJQANCHMSA-N 1 0 365.521 2.748 20 10 FFCDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C)cc1O ZINC000794820026 1010740055 /nfs/dbraw/zinc/74/00/55/1010740055.db2.gz ZVNRNTBQLNOJCE-IAGOWNOFSA-N 1 0 356.470 2.666 20 10 FFCDRO Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)COC1CCOCC1 ZINC000120751926 1010865367 /nfs/dbraw/zinc/86/53/67/1010865367.db2.gz PMYLXFRMXUAWGN-QGZVFWFLSA-N 1 0 361.438 2.544 20 10 FFCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CC1CCC1 ZINC001094250203 1010992921 /nfs/dbraw/zinc/99/29/21/1010992921.db2.gz ZNJFUWWIBLGEGI-CZUORRHYSA-N 1 0 357.458 2.947 20 10 FFCDRO CC[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1O ZINC000866521230 1011008485 /nfs/dbraw/zinc/00/84/85/1011008485.db2.gz ITTZXHAFHKSBDJ-KRWDZBQOSA-N 1 0 353.422 2.685 20 10 FFCDRO COCCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001276320808 1011629721 /nfs/dbraw/zinc/62/97/21/1011629721.db2.gz YUWOTHIBZKOJDA-LJQANCHMSA-N 1 0 359.514 2.507 20 10 FFCDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172188121 1011662915 /nfs/dbraw/zinc/66/29/15/1011662915.db2.gz FCENBYLHDBRFJC-LSDHHAIUSA-N 1 0 353.466 2.698 20 10 FFCDRO N[C@H](c1ccccc1O)[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)c1ccccc1O ZINC001172235825 1011712129 /nfs/dbraw/zinc/71/21/29/1011712129.db2.gz GCNMZDHWNNPDGS-FESCCMSKSA-N 1 0 352.434 2.915 20 10 FFCDRO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NC(C)C)C[C@H]32)ccc1N(C)C ZINC001139670919 1032572245 /nfs/dbraw/zinc/57/22/45/1032572245.db2.gz FTTVJVCSBJAAAK-DFQSSKMNSA-N 1 0 359.514 2.565 20 10 FFCDRO CN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001275033394 1011837121 /nfs/dbraw/zinc/83/71/21/1011837121.db2.gz ANUVWVBSBZDRDS-WIYYLYMNSA-N 1 0 352.434 2.546 20 10 FFCDRO Cc1cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)ccc1N1CCCCC1 ZINC000828053044 1032587568 /nfs/dbraw/zinc/58/75/68/1032587568.db2.gz OPPGYQQMWFURQQ-UHFFFAOYSA-N 1 0 372.557 2.581 20 10 FFCDRO C[NH+]1CCN(c2cccc(-c3noc(-c4nnsc4C4CC4)n3)c2)CC1 ZINC001212679421 1011985636 /nfs/dbraw/zinc/98/56/36/1011985636.db2.gz BLIXGQISJYUBTR-UHFFFAOYSA-N 1 0 368.466 2.884 20 10 FFCDRO CC(C)(C)C(=O)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1O ZINC001275228129 1012106076 /nfs/dbraw/zinc/10/60/76/1012106076.db2.gz VQEPICZOFZPNJL-OAQYLSRUSA-N 1 0 358.482 2.964 20 10 FFCDRO Cn1cncc1CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001275254540 1012147234 /nfs/dbraw/zinc/14/72/34/1012147234.db2.gz SKTGVRMKRBBVRG-LJQANCHMSA-N 1 0 374.872 2.546 20 10 FFCDRO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)ccc2O)N1Cc1cnoc1 ZINC001275254196 1012152093 /nfs/dbraw/zinc/15/20/93/1012152093.db2.gz MEAKZHBUBIFHQG-HZPDHXFCSA-N 1 0 361.829 2.799 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CN1C(=O)OC(C)(C)C ZINC001173051024 1012211301 /nfs/dbraw/zinc/21/13/01/1012211301.db2.gz MZSRIDOCJGWPNC-SUYBPPKGSA-N 1 0 366.458 2.509 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000924710582 1017437423 /nfs/dbraw/zinc/43/74/23/1017437423.db2.gz MJCSXOZDWSQMDM-AWEZNQCLSA-N 1 0 366.465 2.913 20 10 FFCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000924716797 1017443945 /nfs/dbraw/zinc/44/39/45/1017443945.db2.gz QSSROWFEFJCPET-ANQUJSFKSA-N 1 0 363.477 2.586 20 10 FFCDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000924726346 1017449519 /nfs/dbraw/zinc/44/95/19/1017449519.db2.gz NDKQMEUTPOMSHH-FUHWJXTLSA-N 1 0 352.482 2.504 20 10 FFCDRO COc1ccc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC000925053806 1017598474 /nfs/dbraw/zinc/59/84/74/1017598474.db2.gz KXLYUMKUFDDXEB-UHFFFAOYSA-N 1 0 361.486 2.997 20 10 FFCDRO C[C@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2F)C[C@H](C)O1 ZINC000827365309 1017775956 /nfs/dbraw/zinc/77/59/56/1017775956.db2.gz OYGXFLFIFSQTQJ-AUSJPIAWSA-N 1 0 371.456 2.756 20 10 FFCDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000749130837 1018352690 /nfs/dbraw/zinc/35/26/90/1018352690.db2.gz BRYXCWDBDNGLMM-INIZCTEOSA-N 1 0 374.506 2.781 20 10 FFCDRO CN1CCC[C@@H]1c1cc(C(=O)NCc2c(O)ccc3c2CCCC3)[nH]n1 ZINC001137443293 1018485988 /nfs/dbraw/zinc/48/59/88/1018485988.db2.gz KIFZUQIOOSJJDB-GOSISDBHSA-N 1 0 354.454 2.691 20 10 FFCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927646005 1018598703 /nfs/dbraw/zinc/59/87/03/1018598703.db2.gz QXRIVTOSAAMQIA-FQEVSTJZSA-N 1 0 374.529 2.537 20 10 FFCDRO CCCC[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1O ZINC000801594544 1019153542 /nfs/dbraw/zinc/15/35/42/1019153542.db2.gz FDESYILARJHVRU-UHFFFAOYSA-N 1 0 355.438 2.732 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COC[C@H]2C)C1 ZINC000928908972 1019173344 /nfs/dbraw/zinc/17/33/44/1019173344.db2.gz JYVMDNSAOFEORA-CRAIPNDOSA-N 1 0 355.482 2.559 20 10 FFCDRO COc1cccc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c1O ZINC000390448131 1019841720 /nfs/dbraw/zinc/84/17/20/1019841720.db2.gz CCPFMDZHMXPMPR-HNNXBMFYSA-N 1 0 366.458 2.516 20 10 FFCDRO CC[C@H]1C(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C(=O)N1C1CC1 ZINC000900184445 1020247767 /nfs/dbraw/zinc/24/77/67/1020247767.db2.gz CNTDRMZSBMYGLC-ROUUACIJSA-N 1 0 358.486 2.561 20 10 FFCDRO CN(C)c1ccc([C@H](CN2C(=O)N[C@H](c3cccs3)C2=O)[NH+](C)C)cc1 ZINC000900185000 1020248945 /nfs/dbraw/zinc/24/89/45/1020248945.db2.gz IQSTWEVEQNADPS-DOTOQJQBSA-N 1 0 372.494 2.710 20 10 FFCDRO C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)[NH+]1CCC(C)CC1 ZINC000726246122 1020443178 /nfs/dbraw/zinc/44/31/78/1020443178.db2.gz BTJBFGFXBIJAND-KRWDZBQOSA-N 1 0 358.530 2.989 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cn(C)nc2C2CC2)[NH+](C)C)cc1 ZINC000931510066 1020497957 /nfs/dbraw/zinc/49/79/57/1020497957.db2.gz SRUJCLOPVRNROT-GOSISDBHSA-N 1 0 370.501 2.788 20 10 FFCDRO COC1CCN(c2ccc(CN3CCc4[nH+]ccc(N)c4C3)cc2)CC1 ZINC000931517845 1020501127 /nfs/dbraw/zinc/50/11/27/1020501127.db2.gz LQOSFSYORUXOTN-UHFFFAOYSA-N 1 0 352.482 2.837 20 10 FFCDRO COc1ccc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000726706186 1020509699 /nfs/dbraw/zinc/50/96/99/1020509699.db2.gz CPDZHNQSXWHLGH-UXHICEINSA-N 1 0 372.513 2.590 20 10 FFCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3c(-c4ccccn4)nc4ccccn43)[C@@H]2C1 ZINC000931785457 1020586478 /nfs/dbraw/zinc/58/64/78/1020586478.db2.gz SHWDKLVDBDPDJQ-GOEBONIOSA-N 1 0 362.437 2.564 20 10 FFCDRO FC(F)Oc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@]34CCOC4)C2)cc1 ZINC000903102892 1020679365 /nfs/dbraw/zinc/67/93/65/1020679365.db2.gz CGSLGILVWBXYEO-YJLNNSPDSA-N 1 0 368.424 2.794 20 10 FFCDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(O)c(O)c2c1C(=O)c1ccccc1C2=O ZINC001217986226 1032934435 /nfs/dbraw/zinc/93/44/35/1032934435.db2.gz FIEKTNNXROWHGL-XHDPSFHLSA-N 1 0 367.401 2.640 20 10 FFCDRO CC[C@H](C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2)OC ZINC001098480573 1020950017 /nfs/dbraw/zinc/95/00/17/1020950017.db2.gz NNUUFVJTALSUDV-VQHPVUNQSA-N 1 0 373.457 2.609 20 10 FFCDRO COc1cc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)ccc1OCC(N)=O ZINC001116584399 1021295018 /nfs/dbraw/zinc/29/50/18/1021295018.db2.gz FGJLXIZPGKIXSN-ZFWWWQNUSA-N 1 0 370.449 2.911 20 10 FFCDRO COC(=O)N1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC001117755778 1021861163 /nfs/dbraw/zinc/86/11/63/1021861163.db2.gz YUWYQNXWIBSREV-UHFFFAOYSA-N 1 0 361.486 2.576 20 10 FFCDRO CN(Cc1ccccc1O)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000686819857 1022151721 /nfs/dbraw/zinc/15/17/21/1022151721.db2.gz ZIORAJHVCUDABK-UHFFFAOYSA-N 1 0 367.493 2.734 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNc3ncnc4scnc43)cc2F)CC1 ZINC001118525965 1022273819 /nfs/dbraw/zinc/27/38/19/1022273819.db2.gz RFPMLMVNZUVIFB-UHFFFAOYSA-N 1 0 372.473 2.979 20 10 FFCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1C ZINC001020173025 1022576067 /nfs/dbraw/zinc/57/60/67/1022576067.db2.gz OIZXQBDMYPAFPR-LWYYNNOASA-N 1 0 365.477 2.939 20 10 FFCDRO COc1c(O[C@H]2CCC[NH2+]C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001218285552 1033087044 /nfs/dbraw/zinc/08/70/44/1033087044.db2.gz LEOITNALOFQPFS-LBPRGKRZSA-N 1 0 367.401 2.615 20 10 FFCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCC3(C)CCC3)CC2)cc1 ZINC000752024594 1023027318 /nfs/dbraw/zinc/02/73/18/1023027318.db2.gz GOZOSYUEUZKUPN-UHFFFAOYSA-N 1 0 374.529 2.697 20 10 FFCDRO CC[C@H](C)c1nnc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000752932194 1023227977 /nfs/dbraw/zinc/22/79/77/1023227977.db2.gz ZNAIFQRSBJLLKT-HOTGVXAUSA-N 1 0 356.518 2.921 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC001120566694 1023364312 /nfs/dbraw/zinc/36/43/12/1023364312.db2.gz BMTWICVWOSJAQE-NVAPDCRFSA-N 1 0 369.465 2.820 20 10 FFCDRO CCC(CC)(CC)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754069999 1023422081 /nfs/dbraw/zinc/42/20/81/1023422081.db2.gz VZJDMBWCSBHVJM-LJQANCHMSA-N 1 0 363.546 2.737 20 10 FFCDRO Cc1cc(C(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829385694 1033133608 /nfs/dbraw/zinc/13/36/08/1033133608.db2.gz UJWSZVXPYDCUJU-LJQANCHMSA-N 1 0 374.872 2.523 20 10 FFCDRO Cc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218401414 1033138423 /nfs/dbraw/zinc/13/84/23/1033138423.db2.gz HJNBANRDEITEJH-QWHCGFSZSA-N 1 0 351.402 2.995 20 10 FFCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCN(c3ccccn3)CC2)c1 ZINC000756588231 1023732029 /nfs/dbraw/zinc/73/20/29/1023732029.db2.gz GPBUNSNNLXMIGZ-ZWKOTPCHSA-N 1 0 354.498 2.957 20 10 FFCDRO O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000779531332 1023959829 /nfs/dbraw/zinc/95/98/29/1023959829.db2.gz WMYCNJFWSIHFAZ-FNORWQNLSA-N 1 0 368.433 2.706 20 10 FFCDRO CC[C@H](C)N1C[C@@]2(F)C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@]2(F)C1 ZINC001276850236 1033207027 /nfs/dbraw/zinc/20/70/27/1033207027.db2.gz CMUKWVWULRLWDO-GDIGMMSISA-N 1 0 351.441 2.626 20 10 FFCDRO CC[C@H](C)[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)C1 ZINC001276851390 1033210560 /nfs/dbraw/zinc/21/05/60/1033210560.db2.gz JRJRYADQALGHBI-HRAATJIYSA-N 1 0 357.498 2.892 20 10 FFCDRO Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(O)ccc4O)CC[N@@H+]3C2)cc1 ZINC001141159010 1025540115 /nfs/dbraw/zinc/54/01/15/1025540115.db2.gz VVCLKUYCBIYXKE-YLJYHZDGSA-N 1 0 354.450 2.744 20 10 FFCDRO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cc(O)ccc4O)C3)C2)n1 ZINC001141159920 1025542425 /nfs/dbraw/zinc/54/24/25/1025542425.db2.gz NFPZZUYPLWLIJV-CTNGQTDRSA-N 1 0 370.449 2.751 20 10 FFCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)NC1CC=CC1 ZINC000091705518 1026979819 /nfs/dbraw/zinc/97/98/19/1026979819.db2.gz LYSLQNKRXBWPLQ-UHFFFAOYSA-N 1 0 354.498 2.736 20 10 FFCDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000840178209 1026998325 /nfs/dbraw/zinc/99/83/25/1026998325.db2.gz MZVHCAKDNUHTMK-JOCHJYFZSA-N 1 0 350.462 2.900 20 10 FFCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000840478417 1027088310 /nfs/dbraw/zinc/08/83/10/1027088310.db2.gz GOKIUPCCPWXBFY-ZWKOTPCHSA-N 1 0 360.546 2.975 20 10 FFCDRO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758626 1027239907 /nfs/dbraw/zinc/23/99/07/1027239907.db2.gz POBIEWMSOKVTGA-SFHVURJKSA-N 1 0 364.440 2.812 20 10 FFCDRO NC(=O)Cc1cccc(C(=O)c2ccccc2)c1NC=CC1CC[NH2+]CC1 ZINC001159700381 1027469716 /nfs/dbraw/zinc/46/97/16/1027469716.db2.gz JIPWSIJUCZXQDT-SDNWHVSQSA-N 1 0 363.461 2.871 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000093534403 1027753518 /nfs/dbraw/zinc/75/35/18/1027753518.db2.gz RWLKVKCLSBANMD-AWEZNQCLSA-N 1 0 358.398 2.781 20 10 FFCDRO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795691933 1027818666 /nfs/dbraw/zinc/81/86/66/1027818666.db2.gz OAMRLGLXVCHBCJ-DOTOQJQBSA-N 1 0 362.514 2.993 20 10 FFCDRO CCCN(CCC)c1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1 ZINC000093756674 1027819010 /nfs/dbraw/zinc/81/90/10/1027819010.db2.gz KOOVEVPSJMRXTF-UHFFFAOYSA-N 1 0 354.498 2.965 20 10 FFCDRO COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001103989975 1028453564 /nfs/dbraw/zinc/45/35/64/1028453564.db2.gz QFXNCXMBHKMNNT-ZIFCJYIRSA-N 1 0 362.514 2.860 20 10 FFCDRO COCCO[C@H]1CC[N@H+](Cc2c(O)c(C(=O)OC)cc3ccccc32)C1 ZINC000780490695 1028711898 /nfs/dbraw/zinc/71/18/98/1028711898.db2.gz YQHRMZOSXHSQQU-HNNXBMFYSA-N 1 0 359.422 2.569 20 10 FFCDRO CC(C)(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000051374835 1028764360 /nfs/dbraw/zinc/76/43/60/1028764360.db2.gz IRNZHAHUHVIERL-UHFFFAOYSA-N 1 0 373.419 2.546 20 10 FFCDRO Cc1cc(C(N)=O)cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155645752 1028832510 /nfs/dbraw/zinc/83/25/10/1028832510.db2.gz MSLQUBIOYWGTPC-HKJQZYRSSA-N 1 0 366.509 2.888 20 10 FFCDRO CCC[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1O ZINC000781332059 1029147157 /nfs/dbraw/zinc/14/71/57/1029147157.db2.gz QSZHHNFMYISRSU-UHFFFAOYSA-N 1 0 354.450 2.993 20 10 FFCDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1NC1CC1 ZINC001156652357 1029288558 /nfs/dbraw/zinc/28/85/58/1029288558.db2.gz WBWNCJCLBAPEFL-UHFFFAOYSA-N 1 0 352.486 2.723 20 10 FFCDRO COC(=O)c1c(C)cc(C)nc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156656148 1029292073 /nfs/dbraw/zinc/29/20/73/1029292073.db2.gz QDZORSNTVBCAPQ-UHFFFAOYSA-N 1 0 368.481 2.849 20 10 FFCDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840934642 1029933641 /nfs/dbraw/zinc/93/36/41/1029933641.db2.gz UJWAOGHJWKLFNG-NRFANRHFSA-N 1 0 364.493 2.989 20 10 FFCDRO CC[C@@](C[NH2+]Cc1cc2c(cc1O)OCO2)(C(=O)OC)c1ccccc1 ZINC000840976778 1029958385 /nfs/dbraw/zinc/95/83/85/1029958385.db2.gz FWOSWILWDASTTP-FQEVSTJZSA-N 1 0 357.406 2.732 20 10 FFCDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(N)cc2)c1 ZINC000841034667 1029991343 /nfs/dbraw/zinc/99/13/43/1029991343.db2.gz JMBGUOLIMIAMEF-AWEZNQCLSA-N 1 0 355.438 2.605 20 10 FFCDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000841045273 1030000377 /nfs/dbraw/zinc/00/03/77/1030000377.db2.gz JPUSDFBMPWQLEH-YWZLYKJASA-N 1 0 370.497 2.768 20 10 FFCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1O ZINC000783504868 1030127580 /nfs/dbraw/zinc/12/75/80/1030127580.db2.gz NYDBZXUNOHMUNT-WBVHZDCISA-N 1 0 353.466 2.945 20 10 FFCDRO Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000841295901 1030166320 /nfs/dbraw/zinc/16/63/20/1030166320.db2.gz JBZXEZUDACJVQW-IBGZPJMESA-N 1 0 354.454 2.547 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000841327173 1030199275 /nfs/dbraw/zinc/19/92/75/1030199275.db2.gz CYSCAEVRZLLOCY-GFCCVEGCSA-N 1 0 357.410 2.766 20 10 FFCDRO Cc1ccc(O)c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCOCC2)c1 ZINC000697084903 1030205427 /nfs/dbraw/zinc/20/54/27/1030205427.db2.gz AYILSONUFDWMPE-UHFFFAOYSA-N 1 0 350.459 2.864 20 10 FFCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000841709898 1030421810 /nfs/dbraw/zinc/42/18/10/1030421810.db2.gz OLQSSJNIDRYFEO-HXUWFJFHSA-N 1 0 352.482 2.775 20 10 FFCDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 ZINC000841749051 1030445103 /nfs/dbraw/zinc/44/51/03/1030445103.db2.gz BKIOBUCBZAOBAR-OXJNMPFZSA-N 1 0 374.529 2.713 20 10 FFCDRO C[C@H](CCC[NH3+])NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000841782856 1030464282 /nfs/dbraw/zinc/46/42/82/1030464282.db2.gz SMLYQIXJXVQVQT-CYBMUJFWSA-N 1 0 370.444 2.683 20 10 FFCDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000841842988 1030499054 /nfs/dbraw/zinc/49/90/54/1030499054.db2.gz ASFMPWPAPSIVIP-CJNGLKHVSA-N 1 0 370.444 2.539 20 10 FFCDRO C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(N(C)C)cc1 ZINC000841881705 1030518828 /nfs/dbraw/zinc/51/88/28/1030518828.db2.gz BTRLSUZAIUMEPP-INIZCTEOSA-N 1 0 355.486 2.688 20 10 FFCDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841948809 1030557086 /nfs/dbraw/zinc/55/70/86/1030557086.db2.gz LUHVBWVIADGNPV-CGTJXYLNSA-N 1 0 361.486 2.600 20 10 FFCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000841997687 1030573299 /nfs/dbraw/zinc/57/32/99/1030573299.db2.gz OSNMCWZFYJOPNT-FZKQIMNGSA-N 1 0 355.438 2.648 20 10 FFCDRO Cc1noc(C)c1CN1CCOCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203551783 1030758691 /nfs/dbraw/zinc/75/86/91/1030758691.db2.gz NXIIXUTUPYBQML-UHFFFAOYSA-N 1 0 371.481 2.864 20 10 FFCDRO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccccc3O)[C@@H](C)C2)cc1 ZINC001203555730 1030762591 /nfs/dbraw/zinc/76/25/91/1030762591.db2.gz FWIKIYYACHLBRG-INIZCTEOSA-N 1 0 354.450 2.885 20 10 FFCDRO O=C([C@H]1CCC2(CC[NH+](Cc3ccccc3O)CC2)CO1)N1CCCC1 ZINC001203555865 1030764920 /nfs/dbraw/zinc/76/49/20/1030764920.db2.gz HSZQFIIEZJJZPF-LJQANCHMSA-N 1 0 358.482 2.776 20 10 FFCDRO Oc1ccccc1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001203556431 1030767549 /nfs/dbraw/zinc/76/75/49/1030767549.db2.gz PWJXUKYOMWEKSF-UHFFFAOYSA-N 1 0 352.360 2.913 20 10 FFCDRO COc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@@H]3C2)c1O ZINC001203589524 1030772205 /nfs/dbraw/zinc/77/22/05/1030772205.db2.gz KAOBDMLNELOCRW-FUHWJXTLSA-N 1 0 370.424 2.630 20 10 FFCDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC001203596014 1030779502 /nfs/dbraw/zinc/77/95/02/1030779502.db2.gz YZJQMZMXEGUFSA-UHFFFAOYSA-N 1 0 370.449 2.804 20 10 FFCDRO CCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001203608680 1030782799 /nfs/dbraw/zinc/78/27/99/1030782799.db2.gz ZEAYNANXBSVXRN-IYBDPMFKSA-N 1 0 359.495 2.811 20 10 FFCDRO CCOc1cccc(C[NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001203608679 1030783206 /nfs/dbraw/zinc/78/32/06/1030783206.db2.gz ZEAYNANXBSVXRN-HZPDHXFCSA-N 1 0 359.495 2.811 20 10 FFCDRO CCOc1cccc(C[N@@H+]2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1O ZINC001203607895 1030783291 /nfs/dbraw/zinc/78/32/91/1030783291.db2.gz CYPQTUNLSPEWBN-RXVVDRJESA-N 1 0 370.449 2.998 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)c(O)c1 ZINC001203621714 1030789666 /nfs/dbraw/zinc/78/96/66/1030789666.db2.gz HDMIBNSCCRMHQK-INIZCTEOSA-N 1 0 355.438 2.730 20 10 FFCDRO COc1ccc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c(O)c1 ZINC001203622797 1030792311 /nfs/dbraw/zinc/79/23/11/1030792311.db2.gz BSUCXIGJPLSCOP-MRXNPFEDSA-N 1 0 357.454 2.656 20 10 FFCDRO COc1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)c(O)c1 ZINC001203627972 1030795173 /nfs/dbraw/zinc/79/51/73/1030795173.db2.gz TUAVHJRSRVLJMQ-UHFFFAOYSA-N 1 0 355.394 2.849 20 10 FFCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001203656751 1030809448 /nfs/dbraw/zinc/80/94/48/1030809448.db2.gz WVABKKYTFYJXTH-BEFAXECRSA-N 1 0 360.841 2.968 20 10 FFCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c1 ZINC001203671548 1030817597 /nfs/dbraw/zinc/81/75/97/1030817597.db2.gz RFHNKMAPRWSDMI-MRXNPFEDSA-N 1 0 357.454 2.673 20 10 FFCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)c1 ZINC001203674776 1030822810 /nfs/dbraw/zinc/82/28/10/1030822810.db2.gz BFHKXWXPUXJZLZ-DLBZAZTESA-N 1 0 373.478 2.541 20 10 FFCDRO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccc(O)c(O)c4)CC[N@@H+]3C2)cc1 ZINC001203879075 1030956763 /nfs/dbraw/zinc/95/67/63/1030956763.db2.gz LGEKPOOFPGCROJ-PKOBYXMFSA-N 1 0 354.450 2.744 20 10 FFCDRO CN(C)c1ccc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)cc1 ZINC001203934090 1030992283 /nfs/dbraw/zinc/99/22/83/1030992283.db2.gz ULMKBIYPQZZAOM-UHFFFAOYSA-N 1 0 350.466 2.777 20 10 FFCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1)N1CCCO1 ZINC001204020720 1031042440 /nfs/dbraw/zinc/04/24/40/1031042440.db2.gz QABCXAGVBFLSAW-UHFFFAOYSA-N 1 0 351.450 2.503 20 10 FFCDRO CN(C)C(=O)COc1ccccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057650 1031166039 /nfs/dbraw/zinc/16/60/39/1031166039.db2.gz PRAGIQBFWBLNND-UHFFFAOYSA-N 1 0 353.466 2.565 20 10 FFCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)CN1c1cccc(F)c1 ZINC001204274075 1031201631 /nfs/dbraw/zinc/20/16/31/1031201631.db2.gz HMXWSCVLVVXWMD-FQEVSTJZSA-N 1 0 356.397 2.866 20 10 FFCDRO Cn1c2ccccc2n(C2CC[NH+](Cc3ccc(O)cc3O)CC2)c1=O ZINC001204278305 1031205015 /nfs/dbraw/zinc/20/50/15/1031205015.db2.gz DGTKVYKFAAFVHG-UHFFFAOYSA-N 1 0 353.422 2.588 20 10 FFCDRO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204275215 1031205320 /nfs/dbraw/zinc/20/53/20/1031205320.db2.gz ZMDQBFAZKZNDDE-UHFFFAOYSA-N 1 0 373.478 2.683 20 10 FFCDRO COc1cc(Br)cc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001204339625 1031235856 /nfs/dbraw/zinc/23/58/56/1031235856.db2.gz MZWDMEHLKUBHLU-UHFFFAOYSA-N 1 0 367.247 2.592 20 10 FFCDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c1O ZINC001143108709 1031238606 /nfs/dbraw/zinc/23/86/06/1031238606.db2.gz VNMQAIDHBHLABE-PBHICJAKSA-N 1 0 366.527 2.546 20 10 FFCDRO COc1cc(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)cc(O)c1O ZINC001204348374 1031246087 /nfs/dbraw/zinc/24/60/87/1031246087.db2.gz CSTLACBIAMZSSR-UHFFFAOYSA-N 1 0 354.450 2.913 20 10 FFCDRO Cc1ccc(OCCC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000843298486 1031295949 /nfs/dbraw/zinc/29/59/49/1031295949.db2.gz NKQAEGNZHBNWLY-HXUWFJFHSA-N 1 0 355.482 2.955 20 10 FFCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000843433735 1031401183 /nfs/dbraw/zinc/40/11/83/1031401183.db2.gz IYWOPHFEFONOLV-AEFFLSMTSA-N 1 0 374.506 2.740 20 10 FFCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@](C)([NH3+])c3ccccc3)C2)cc1 ZINC000843504788 1031434637 /nfs/dbraw/zinc/43/46/37/1031434637.db2.gz HMYVNCWTDJNNJF-IERDGZPVSA-N 1 0 353.466 2.512 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cn(C(C)C)cn3)cc2F)CC1 ZINC000798958841 1031594784 /nfs/dbraw/zinc/59/47/84/1031594784.db2.gz MLKYJXFGAVBMLP-UHFFFAOYSA-N 1 0 373.476 2.675 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc(C3CN([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC001205252635 1031629267 /nfs/dbraw/zinc/62/92/67/1031629267.db2.gz VWJOLLBFTCCFAU-IBGZPJMESA-N 1 0 363.465 2.905 20 10 FFCDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000799350314 1031744438 /nfs/dbraw/zinc/74/44/38/1031744438.db2.gz SGHHVPOJTFIQMS-LJQANCHMSA-N 1 0 358.457 2.746 20 10 FFCDRO CC(C)c1ccc(O)c(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC001205708739 1031946090 /nfs/dbraw/zinc/94/60/90/1031946090.db2.gz IAYTXIALRWARJT-OAQYLSRUSA-N 1 0 367.493 2.860 20 10 FFCDRO CCC(=O)C[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001276873904 1033343792 /nfs/dbraw/zinc/34/37/92/1033343792.db2.gz YKDYYHLVZNBQEJ-NRFANRHFSA-N 1 0 357.498 2.689 20 10 FFCDRO Nc1ccc(CC(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cc1 ZINC001219133330 1033528710 /nfs/dbraw/zinc/52/87/10/1033528710.db2.gz SJYCMFVFRGPAOH-UHFFFAOYSA-N 1 0 357.429 2.968 20 10 FFCDRO CN(C)c1ccc(/C=C/c2ccc(NC(=O)[C@H]3C[NH2+]CC[C@H]3O)cc2)cc1 ZINC001219203795 1033554791 /nfs/dbraw/zinc/55/47/91/1033554791.db2.gz OAOVYFKIFWTAAD-ZCWZMJLSSA-N 1 0 365.477 2.832 20 10 FFCDRO Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc2)cc1 ZINC001219493036 1033668210 /nfs/dbraw/zinc/66/82/10/1033668210.db2.gz KJORNUNJOMOPHX-AWEZNQCLSA-N 1 0 363.368 2.834 20 10 FFCDRO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc(F)c3O)CC2)C1 ZINC001138123951 1033800111 /nfs/dbraw/zinc/80/01/11/1033800111.db2.gz SMFIWCGJYCZJGX-MRXNPFEDSA-N 1 0 364.461 2.771 20 10 FFCDRO COc1ccc(N2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)cc1F ZINC000831146330 1033966194 /nfs/dbraw/zinc/96/61/94/1033966194.db2.gz FERANYPHTFCJCP-CQSZACIVSA-N 1 0 357.429 2.816 20 10 FFCDRO CC[C@@H](C)N1C(=O)C[C@@]2(CCC[N@H+](Cc3cc(F)cc(C)c3O)C2)C1=O ZINC001277025108 1034165627 /nfs/dbraw/zinc/16/56/27/1034165627.db2.gz BCTDTNAMQGTAMT-JLTOFOAXSA-N 1 0 362.445 2.979 20 10 FFCDRO COCC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CCN(C)CC1 ZINC001138337289 1034167745 /nfs/dbraw/zinc/16/77/45/1034167745.db2.gz NCPSRWWGIMZBBJ-UHFFFAOYSA-N 1 0 373.541 2.634 20 10 FFCDRO CN(C)c1ccc(N=Nc2cccc(C(=O)NC[C@H]3COCC[NH2+]3)c2)cc1 ZINC001220432175 1034172509 /nfs/dbraw/zinc/17/25/09/1034172509.db2.gz ZRWAJPSSFZIHOE-SFHVURJKSA-N 1 0 367.453 2.886 20 10 FFCDRO Fc1ccc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC001138495189 1034333495 /nfs/dbraw/zinc/33/34/95/1034333495.db2.gz VJPONVLIXZEFPR-UHFFFAOYSA-N 1 0 369.484 2.980 20 10 FFCDRO O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138497012 1034334971 /nfs/dbraw/zinc/33/49/71/1034334971.db2.gz XJYGBXUIAOMBMA-KRWDZBQOSA-N 1 0 358.404 2.803 20 10 FFCDRO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138497262 1034335498 /nfs/dbraw/zinc/33/54/98/1034335498.db2.gz GNMAOMJGCZJJOO-IFMALSPDSA-N 1 0 374.525 2.931 20 10 FFCDRO CCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(C(C)=O)CC1 ZINC001138499697 1034340027 /nfs/dbraw/zinc/34/00/27/1034340027.db2.gz ZTOLLNCEOMSAHK-UHFFFAOYSA-N 1 0 359.514 2.746 20 10 FFCDRO c1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC001138500324 1034343563 /nfs/dbraw/zinc/34/35/63/1034343563.db2.gz XFFODMVFJPYKBD-OAQYLSRUSA-N 1 0 353.466 2.962 20 10 FFCDRO Cc1c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1CCC(C)C ZINC000832265934 1034686936 /nfs/dbraw/zinc/68/69/36/1034686936.db2.gz BYPINAAVRCUHNL-LJQANCHMSA-N 1 0 357.502 2.733 20 10 FFCDRO CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832265936 1034688382 /nfs/dbraw/zinc/68/83/82/1034688382.db2.gz BYZHSJQHEATMFP-SFHVURJKSA-N 1 0 374.872 2.794 20 10 FFCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1 ZINC000832273563 1034694107 /nfs/dbraw/zinc/69/41/07/1034694107.db2.gz OTMPAECTTGMCST-OALUTQOASA-N 1 0 374.916 2.825 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCOCc2ccccc2)cc1 ZINC000832281969 1034699510 /nfs/dbraw/zinc/69/95/10/1034699510.db2.gz WMSIBAGRECWGEO-HXUWFJFHSA-N 1 0 355.482 2.866 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCc2nc3ccccc3o2)cc1 ZINC000832292989 1034705592 /nfs/dbraw/zinc/70/55/92/1034705592.db2.gz OQLUOAWSMJHDPE-MRXNPFEDSA-N 1 0 352.438 2.643 20 10 FFCDRO COc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc2c1O[C@@H](C)C2 ZINC000832292583 1034707963 /nfs/dbraw/zinc/70/79/63/1034707963.db2.gz JUKBIKBYVGITDG-SCLBCKFNSA-N 1 0 369.465 2.514 20 10 FFCDRO COc1cc(CN(C)Cc2cccc3c2OCO3)cc(C[NH+](C)C)c1O ZINC001139260244 1035032170 /nfs/dbraw/zinc/03/21/70/1035032170.db2.gz IWJIYVVGLAMIAN-UHFFFAOYSA-N 1 0 358.438 2.823 20 10 FFCDRO CCOC(=O)c1coc2c1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139412388 1035097061 /nfs/dbraw/zinc/09/70/61/1035097061.db2.gz JKSXQQWFSSVIOX-UHFFFAOYSA-N 1 0 369.465 2.724 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)ccc1N(C)C ZINC001139670615 1035193645 /nfs/dbraw/zinc/19/36/45/1035193645.db2.gz MSSMEDBRDCVPIN-DWLFOUALSA-N 1 0 371.525 2.663 20 10 FFCDRO Cc1cc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@@H]3C2)ccc1N(C)C ZINC001139670834 1035194199 /nfs/dbraw/zinc/19/41/99/1035194199.db2.gz AXPMBURIOFDKEU-AQNXPRMDSA-N 1 0 373.541 2.670 20 10 FFCDRO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)ccc1N(C)C ZINC001139672201 1035194295 /nfs/dbraw/zinc/19/42/95/1035194295.db2.gz UZAMMBBDRMTWHS-IFMALSPDSA-N 1 0 371.525 2.568 20 10 FFCDRO COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139674563 1035195161 /nfs/dbraw/zinc/19/51/61/1035195161.db2.gz WLCWRXPSVLVXFS-QGZVFWFLSA-N 1 0 356.470 2.821 20 10 FFCDRO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140063113 1035327574 /nfs/dbraw/zinc/32/75/74/1035327574.db2.gz KXIILCKUKBWXKS-UYAOXDASSA-N 1 0 371.412 2.546 20 10 FFCDRO COC[C@H]1Cn2nccc2CN(Cc2c(O)cccc2Br)C1 ZINC001140100813 1035341894 /nfs/dbraw/zinc/34/18/94/1035341894.db2.gz CWBXOFMQODRIFQ-GFCCVEGCSA-N 1 0 366.259 2.630 20 10 FFCDRO CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1c(O)cccc1Br)CC2 ZINC001140099698 1035342229 /nfs/dbraw/zinc/34/22/29/1035342229.db2.gz QNHYWDRKJGGPJE-CYBMUJFWSA-N 1 0 367.287 2.845 20 10 FFCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cccc1Br)C2 ZINC001140103336 1035342763 /nfs/dbraw/zinc/34/27/63/1035342763.db2.gz KOCLVVVMBAZYRZ-TUAOUCFPSA-N 1 0 354.244 2.928 20 10 FFCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c1O ZINC001140180416 1035369814 /nfs/dbraw/zinc/36/98/14/1035369814.db2.gz HFEFVFJFIQEBNX-NRFANRHFSA-N 1 0 360.498 2.858 20 10 FFCDRO CCc1ncnc2c1CC[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140282991 1035417572 /nfs/dbraw/zinc/41/75/72/1035417572.db2.gz HMWGRPQNOYXTQH-UHFFFAOYSA-N 1 0 366.509 2.601 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CN3CCN(C(=O)C(C)(C)C)CC3)cc2)CC1 ZINC001140306214 1035427724 /nfs/dbraw/zinc/42/77/24/1035427724.db2.gz PMZWZZZATFPPCV-UHFFFAOYSA-N 1 0 372.557 2.519 20 10 FFCDRO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c(O)cccc2Cl)O1)N1CCCC1 ZINC001140339589 1035443833 /nfs/dbraw/zinc/44/38/33/1035443833.db2.gz JABXCFUCIAHZHF-NXHRZFHOSA-N 1 0 364.873 2.790 20 10 FFCDRO COc1cccc(O)c1C[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000835082000 1035518726 /nfs/dbraw/zinc/51/87/26/1035518726.db2.gz DSOBAGSCLYUERS-AWEZNQCLSA-N 1 0 366.458 2.516 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CN(C2CCCC2)C(=O)CO3)c(O)c1 ZINC001277204161 1035523507 /nfs/dbraw/zinc/52/35/07/1035523507.db2.gz DGMWVIFEVVLZFQ-NRFANRHFSA-N 1 0 358.482 2.755 20 10 FFCDRO CCN1CCC2(CC[NH+](Cc3cc(Cl)c(OC)cc3O)CC2)C1=O ZINC001232268514 1035540374 /nfs/dbraw/zinc/54/03/74/1035540374.db2.gz OJUFQHAEVIZPOD-UHFFFAOYSA-N 1 0 352.862 2.889 20 10 FFCDRO Fc1cc(N2CCOCC2)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001140665375 1035820786 /nfs/dbraw/zinc/82/07/86/1035820786.db2.gz NALDSIHWGRYAGY-UHFFFAOYSA-N 1 0 369.484 2.980 20 10 FFCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001232835200 1036088482 /nfs/dbraw/zinc/08/84/82/1036088482.db2.gz ZIVDBHBQCDWOJT-OSYLJGHBSA-N 1 0 361.486 2.661 20 10 FFCDRO CC(C)Oc1ncnc2c1CC[N@H+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232839153 1036094312 /nfs/dbraw/zinc/09/43/12/1036094312.db2.gz PDIAUNYNZNKGDG-UHFFFAOYSA-N 1 0 356.470 2.636 20 10 FFCDRO COc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c(OC)c1 ZINC001232841637 1036097101 /nfs/dbraw/zinc/09/71/01/1036097101.db2.gz NEOOXSGAKBCFLX-UHFFFAOYSA-N 1 0 371.481 2.798 20 10 FFCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(CC3CCOCC3)C2=O)C1 ZINC001277315481 1036193033 /nfs/dbraw/zinc/19/30/33/1036193033.db2.gz KFBWRUKGQBLLSO-OAQYLSRUSA-N 1 0 358.482 2.552 20 10 FFCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(I)cc3O)C[C@@H]21 ZINC001232977775 1036211633 /nfs/dbraw/zinc/21/16/33/1036211633.db2.gz LSXNYDJHACKMAX-RISCZKNCSA-N 1 0 372.250 2.523 20 10 FFCDRO Oc1cc(I)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001232979147 1036212461 /nfs/dbraw/zinc/21/24/61/1036212461.db2.gz SMFAANIUOJGMQH-CQSZACIVSA-N 1 0 372.250 2.667 20 10 FFCDRO Oc1cc(I)ccc1CN1CC([NH+]2CCCCC2)C1 ZINC001232980896 1036215266 /nfs/dbraw/zinc/21/52/66/1036215266.db2.gz YAHRNDQVSDMGQW-UHFFFAOYSA-N 1 0 372.250 2.667 20 10 FFCDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]12 ZINC001233015252 1036252949 /nfs/dbraw/zinc/25/29/49/1036252949.db2.gz GQCAVEKRRIYJIY-HZSPNIEDSA-N 1 0 364.442 2.539 20 10 FFCDRO CCN(CC)c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC001140851916 1036282017 /nfs/dbraw/zinc/28/20/17/1036282017.db2.gz UIIPTMOZKYXCCF-UHFFFAOYSA-N 1 0 354.498 2.951 20 10 FFCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001140857245 1036295539 /nfs/dbraw/zinc/29/55/39/1036295539.db2.gz NEJHLHBQMRQSQB-GOSISDBHSA-N 1 0 356.470 2.990 20 10 FFCDRO COCCC[NH+]1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233110794 1036356270 /nfs/dbraw/zinc/35/62/70/1036356270.db2.gz RRJXQLRVOCTRHK-UHFFFAOYSA-N 1 0 357.292 2.617 20 10 FFCDRO COc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1Br ZINC001233139316 1036386907 /nfs/dbraw/zinc/38/69/07/1036386907.db2.gz INZDREOVHVGMSO-CYBMUJFWSA-N 1 0 355.276 2.833 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC(NC(=O)N3CCCC3)CC2)c1O ZINC001233291123 1036494945 /nfs/dbraw/zinc/49/49/45/1036494945.db2.gz MVOISWJINPHSCC-UHFFFAOYSA-N 1 0 367.877 2.824 20 10 FFCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c(O)c1 ZINC001140949863 1036545775 /nfs/dbraw/zinc/54/57/75/1036545775.db2.gz INYDWZZFQKHRLN-WIYYLYMNSA-N 1 0 351.450 2.624 20 10 FFCDRO CC[C@H]1[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001233484078 1036651359 /nfs/dbraw/zinc/65/13/59/1036651359.db2.gz XPWQZWQSENTJMD-CTNGQTDRSA-N 1 0 374.481 2.949 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)c(OC)c1 ZINC001141030633 1036775837 /nfs/dbraw/zinc/77/58/37/1036775837.db2.gz DWDFDJPRYSMPRZ-UHFFFAOYSA-N 1 0 350.459 2.631 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(Oc3cc(C)ncn3)CC2)c(OC)c1 ZINC001141032839 1036779652 /nfs/dbraw/zinc/77/96/52/1036779652.db2.gz OPLIMCITTCMGRH-UHFFFAOYSA-N 1 0 359.426 2.551 20 10 FFCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)CC[C@@H]21 ZINC001141078753 1036929510 /nfs/dbraw/zinc/92/95/10/1036929510.db2.gz HFKPYMCALGPZQM-PMACEKPBSA-N 1 0 353.510 2.828 20 10 FFCDRO Cc1cc(N2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)ncn1 ZINC001141079143 1036932463 /nfs/dbraw/zinc/93/24/63/1036932463.db2.gz UXBTVXXLTXLGGR-UHFFFAOYSA-N 1 0 363.509 2.806 20 10 FFCDRO CCOC(=O)N1CCC[C@@H](Oc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001234657582 1037126949 /nfs/dbraw/zinc/12/69/49/1037126949.db2.gz FGSMEIAIARQRNJ-LJQANCHMSA-N 1 0 361.486 2.828 20 10 FFCDRO COCC(=O)NC1CC[NH+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996063 1037285882 /nfs/dbraw/zinc/28/58/82/1037285882.db2.gz UFUGDGDJSBHMDN-UHFFFAOYSA-N 1 0 354.450 2.786 20 10 FFCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC001231467736 1037614087 /nfs/dbraw/zinc/61/40/87/1037614087.db2.gz KMOHVZGXVFVNFV-NHCUHLMSSA-N 1 0 357.450 2.536 20 10 FFCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(Br)ccc(OC)c2O)C1 ZINC001231549695 1037673425 /nfs/dbraw/zinc/67/34/25/1037673425.db2.gz DXXALGBHHVYSAO-GHMZBOCLSA-N 1 0 372.259 2.937 20 10 FFCDRO COc1ccc(Br)c(CN2CC([NH+]3CCC(F)CC3)C2)c1O ZINC001231554191 1037677022 /nfs/dbraw/zinc/67/70/22/1037677022.db2.gz MIPRINMCKDTYLW-UHFFFAOYSA-N 1 0 373.266 2.781 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(Br)ccc(OC)c2O)[C@@H]1C ZINC001231554574 1037677102 /nfs/dbraw/zinc/67/71/02/1037677102.db2.gz YEMZZRBCCCSSTD-GHMZBOCLSA-N 1 0 372.259 2.937 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001235691281 1037688583 /nfs/dbraw/zinc/68/85/83/1037688583.db2.gz IMUDVVYFMKIXTL-NRFANRHFSA-N 1 0 351.494 2.670 20 10 FFCDRO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC001231586194 1037704657 /nfs/dbraw/zinc/70/46/57/1037704657.db2.gz DIWVXUTVZWPWFT-CTNGQTDRSA-N 1 0 354.450 2.757 20 10 FFCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)c1O ZINC001231591670 1037706377 /nfs/dbraw/zinc/70/63/77/1037706377.db2.gz HFLWBUXHXYEXIL-NRFANRHFSA-N 1 0 351.450 2.720 20 10 FFCDRO O=C(N[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1)N1CCOCC1 ZINC001231589943 1037709303 /nfs/dbraw/zinc/70/93/03/1037709303.db2.gz VYCSHGDPEIBKRD-KRWDZBQOSA-N 1 0 369.465 2.552 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001235775921 1037738473 /nfs/dbraw/zinc/73/84/73/1037738473.db2.gz MTCGDJWSJCSQRH-CHWSQXEVSA-N 1 0 354.878 2.665 20 10 FFCDRO COc1ccc(CC[N@@H+](Cc2cc(OC)c(O)cc2O)C[C@H](C)O)cc1 ZINC001231634253 1037754542 /nfs/dbraw/zinc/75/45/42/1037754542.db2.gz JYTIDHGDTRCAPX-AWEZNQCLSA-N 1 0 361.438 2.541 20 10 FFCDRO COc1cc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c(O)cc1O ZINC001231639173 1037761076 /nfs/dbraw/zinc/76/10/76/1037761076.db2.gz DUIKJIPHWTZERU-HNNXBMFYSA-N 1 0 369.421 2.728 20 10 FFCDRO OCCC[N@@H+]1CCc2c(Cl)c(O)c(O)cc2[C@@H](c2ccc(O)cc2)C1 ZINC001236099033 1037931268 /nfs/dbraw/zinc/93/12/68/1037931268.db2.gz WRCKKDFNZFLJMK-MRXNPFEDSA-N 1 0 363.841 2.829 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001231852807 1037948467 /nfs/dbraw/zinc/94/84/67/1037948467.db2.gz OGTCVJDXMVQQHF-QFBILLFUSA-N 1 0 359.514 2.840 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001231854175 1037951284 /nfs/dbraw/zinc/95/12/84/1037951284.db2.gz AOKRBGLZELSLEQ-QGZVFWFLSA-N 1 0 357.454 2.818 20 10 FFCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001231853684 1037951556 /nfs/dbraw/zinc/95/15/56/1037951556.db2.gz ZNYFSRTUKQIQSW-PZJWPPBQSA-N 1 0 360.498 2.921 20 10 FFCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC2(CCN(C(C)C)C2=O)CC1 ZINC001231857697 1037956622 /nfs/dbraw/zinc/95/66/22/1037956622.db2.gz NMGDWZIQJQYOBZ-UHFFFAOYSA-N 1 0 359.514 2.984 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c(O)c1 ZINC001236213011 1037989151 /nfs/dbraw/zinc/98/91/51/1037989151.db2.gz ARPCUUVPIPKOCI-ZWKOTPCHSA-N 1 0 364.486 2.816 20 10 FFCDRO Oc1c(I)cccc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236222099 1037991571 /nfs/dbraw/zinc/99/15/71/1037991571.db2.gz IYTFAQNUHUJKNY-ZDUSSCGKSA-N 1 0 372.250 2.713 20 10 FFCDRO Oc1c(I)cccc1CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236240510 1037999848 /nfs/dbraw/zinc/99/98/48/1037999848.db2.gz MNSAHXKUSQSRQL-ZDUSSCGKSA-N 1 0 372.250 2.713 20 10 FFCDRO CCCN(Cc1ccc(OCCCC(=O)OCC)cc1O)[C@H]1CC[NH2+]C1 ZINC001236327862 1038048480 /nfs/dbraw/zinc/04/84/80/1038048480.db2.gz NCYHBCFHBWKYRR-KRWDZBQOSA-N 1 0 364.486 2.688 20 10 FFCDRO CC(C)N(Cc1cccc(I)c1O)[C@H]1CC[NH2+]C1 ZINC001236531532 1038119199 /nfs/dbraw/zinc/11/91/99/1038119199.db2.gz ZZCBSYPZVIABMZ-LBPRGKRZSA-N 1 0 360.239 2.569 20 10 FFCDRO CCOC(=O)CCCOc1ccc(CN(C(C)C)[C@H]2CC[NH2+]C2)c(O)c1 ZINC001236528810 1038119982 /nfs/dbraw/zinc/11/99/82/1038119982.db2.gz HSIIDLIWABZKGQ-KRWDZBQOSA-N 1 0 364.486 2.687 20 10 FFCDRO COCCOc1ccc(N2CCN(Cc3cc4ncccc4[nH]3)CC2)cc1 ZINC001232065977 1038146902 /nfs/dbraw/zinc/14/69/02/1038146902.db2.gz JKLWSOXXWDEYIL-UHFFFAOYSA-N 1 0 366.465 2.910 20 10 FFCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)C1 ZINC001236745051 1038230316 /nfs/dbraw/zinc/23/03/16/1038230316.db2.gz LRCRFSXCEQOIFZ-JTQLQIEISA-N 1 0 358.232 2.548 20 10 FFCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)cc1Br ZINC001236748523 1038233743 /nfs/dbraw/zinc/23/37/43/1038233743.db2.gz QTWMCVJTFGIKGB-HNNXBMFYSA-N 1 0 362.239 2.850 20 10 FFCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236750970 1038236261 /nfs/dbraw/zinc/23/62/61/1038236261.db2.gz NRGVHSIBTMSVRV-LLVKDONJSA-N 1 0 372.259 2.938 20 10 FFCDRO COc1cc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c(O)cc1Br ZINC001236753346 1038240744 /nfs/dbraw/zinc/24/07/44/1038240744.db2.gz MJXSFLVBWAYAOH-FZMZJTMJSA-N 1 0 355.276 2.689 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(NC(=O)CC(C)(C)C)CC2)cc1OC ZINC001236753051 1038241149 /nfs/dbraw/zinc/24/11/49/1038241149.db2.gz GJPMEHHJRDTALI-UHFFFAOYSA-N 1 0 364.486 2.926 20 10 FFCDRO COc1cc(O)c(C[NH+]2CCC(N(C(C)=O)C(C)C)CC2)cc1OC ZINC001236757848 1038245005 /nfs/dbraw/zinc/24/50/05/1038245005.db2.gz QBUWXASGABKEEV-UHFFFAOYSA-N 1 0 350.459 2.631 20 10 FFCDRO OCC[C@H]1CC12CC[NH+](Cc1cc(O)c(Br)cc1O)CC2 ZINC001236768291 1038252489 /nfs/dbraw/zinc/25/24/89/1038252489.db2.gz PYURBNGVOFPAPO-LBPRGKRZSA-N 1 0 356.260 2.845 20 10 FFCDRO CCOCC[NH+](CCOCC)Cc1cc(O)c(Br)cc1O ZINC001236770681 1038253748 /nfs/dbraw/zinc/25/37/48/1038253748.db2.gz JPVJYFMTVYMQSP-UHFFFAOYSA-N 1 0 362.264 2.735 20 10 FFCDRO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc4ccccc4cc3O)CC[C@@H]2C1 ZINC001236830665 1038295832 /nfs/dbraw/zinc/29/58/32/1038295832.db2.gz QBJBFPMATNQQJZ-WIYYLYMNSA-N 1 0 354.450 2.615 20 10 FFCDRO COc1ccnc(N2CC[NH+](Cc3cc4ccccc4cc3O)CC2)n1 ZINC001236834335 1038297264 /nfs/dbraw/zinc/29/72/64/1038297264.db2.gz WHBNQMIPNOEQFE-UHFFFAOYSA-N 1 0 350.422 2.666 20 10 FFCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236932638 1038365867 /nfs/dbraw/zinc/36/58/67/1038365867.db2.gz XUDMQZJZBXVSHE-GOSISDBHSA-N 1 0 365.905 2.619 20 10 FFCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H](c4ccncc4)C3)c(F)c2)CC1 ZINC001236942548 1038370882 /nfs/dbraw/zinc/37/08/82/1038370882.db2.gz KSBGMOBVGWSJKA-NRFANRHFSA-N 1 0 370.472 2.546 20 10 FFCDRO FC(F)(F)[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236980537 1038394874 /nfs/dbraw/zinc/39/48/74/1038394874.db2.gz IGNBRLLZMIPYBD-OAHLLOKOSA-N 1 0 363.811 2.513 20 10 FFCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001237048979 1038423028 /nfs/dbraw/zinc/42/30/28/1038423028.db2.gz KLOSDNOGGMRRFN-IAGOWNOFSA-N 1 0 364.486 2.976 20 10 FFCDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCC(=O)CC3)CC2)c(O)c1 ZINC001237049437 1038424456 /nfs/dbraw/zinc/42/44/56/1038424456.db2.gz OYJPVHZBEUBRKQ-UHFFFAOYSA-N 1 0 358.482 2.919 20 10 FFCDRO O=C1CCCC2(CC[NH+](Cc3ccc(OCC(F)(F)F)cc3O)CC2)N1 ZINC001237052775 1038425828 /nfs/dbraw/zinc/42/58/28/1038425828.db2.gz VADBJHYUIUDLPY-UHFFFAOYSA-N 1 0 372.387 2.968 20 10 FFCDRO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001237063125 1038430162 /nfs/dbraw/zinc/43/01/62/1038430162.db2.gz SDQBZDGBVDGWJT-ZDUSSCGKSA-N 1 0 356.348 2.762 20 10 FFCDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1ccc(-n3c(C)ccc3C)cc1)CC2 ZINC001237066044 1038431208 /nfs/dbraw/zinc/43/12/08/1038431208.db2.gz WVOIHUPJQAMYMD-IRLDBZIGSA-N 1 0 367.493 2.821 20 10 FFCDRO CCC(=O)NC1CC[NH+](Cc2c(O)cc(OC)cc2Br)CC1 ZINC001237066986 1038431794 /nfs/dbraw/zinc/43/17/94/1038431794.db2.gz BFBXIFQJAMXBAE-UHFFFAOYSA-N 1 0 371.275 2.654 20 10 FFCDRO CO[C@@H](C)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C(C)C ZINC001256237063 1038446140 /nfs/dbraw/zinc/44/61/40/1038446140.db2.gz PYGLBVPYTVBSLB-QFBILLFUSA-N 1 0 364.534 2.810 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001278923278 1038456091 /nfs/dbraw/zinc/45/60/91/1038456091.db2.gz AZXWRMDDJHVCMP-UHFFFAOYSA-N 1 0 354.498 2.884 20 10 FFCDRO COc1nscc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001208723075 1038497881 /nfs/dbraw/zinc/49/78/81/1038497881.db2.gz IKBOHZULTHESJC-HNNXBMFYSA-N 1 0 363.487 2.642 20 10 FFCDRO COCOCCC[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001209033286 1038641441 /nfs/dbraw/zinc/64/14/41/1038641441.db2.gz GHTZIAFGUYOAAG-UHFFFAOYSA-N 1 0 371.481 2.793 20 10 FFCDRO CC[N@H+](Cc1ccccc1O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251409820 1039116181 /nfs/dbraw/zinc/11/61/81/1039116181.db2.gz LKRKXGAOUBTDRE-IBGZPJMESA-N 1 0 350.459 2.586 20 10 FFCDRO CN(C)c1ccc(C[N@H+](C)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001251409999 1039116459 /nfs/dbraw/zinc/11/64/59/1039116459.db2.gz PWWKGYBXUORNML-HXUWFJFHSA-N 1 0 363.502 2.556 20 10 FFCDRO CCN(C[C@H]1CCCO1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001251501214 1039160326 /nfs/dbraw/zinc/16/03/26/1039160326.db2.gz OKYJFEZXWHQGBZ-RTBURBONSA-N 1 0 362.518 2.566 20 10 FFCDRO Oc1cc(O)c(CN2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)c(O)c1 ZINC001278426685 1039211117 /nfs/dbraw/zinc/21/11/17/1039211117.db2.gz RKKKBBHUWAJGQS-UHFFFAOYSA-N 1 0 360.376 2.654 20 10 FFCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCC4(CC4)C3)cc2)CC1 ZINC001246381491 1039331633 /nfs/dbraw/zinc/33/16/33/1039331633.db2.gz FUDAZZPBUOONOC-SFHVURJKSA-N 1 0 356.514 2.960 20 10 FFCDRO Cc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(Cc2cnoc2)C3)c1O ZINC001276683852 1039541499 /nfs/dbraw/zinc/54/14/99/1039541499.db2.gz QXKKPYHPAPSUPZ-FQEVSTJZSA-N 1 0 355.438 2.846 20 10 FFCDRO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001276684143 1039548599 /nfs/dbraw/zinc/54/85/99/1039548599.db2.gz WQGZLYVWXQZXPI-QGZVFWFLSA-N 1 0 360.498 2.844 20 10 FFCDRO O=C1N(C2COC2)CC[C@@]12CCC[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001276684462 1039560778 /nfs/dbraw/zinc/56/07/78/1039560778.db2.gz ZZVDXRCTJMQESF-NRFANRHFSA-N 1 0 352.434 2.511 20 10 FFCDRO COCCOCN1CC2(C1)CC[NH+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001278686912 1039778832 /nfs/dbraw/zinc/77/88/32/1039778832.db2.gz QKUUATNIFCDWIS-UHFFFAOYSA-N 1 0 361.530 2.579 20 10 FFCDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@]3(C)CC[NH2+]C[C@@H]3O)n2)cc1 ZINC001247828410 1039975707 /nfs/dbraw/zinc/97/57/07/1039975707.db2.gz ITANUGUDKPJBKV-FXAWDEMLSA-N 1 0 352.438 2.756 20 10 FFCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H](O)CCOCc1ccccc1)CCC2 ZINC001253278423 1040093762 /nfs/dbraw/zinc/09/37/62/1040093762.db2.gz BKGDLCIWPHHBTM-IBGZPJMESA-N 1 0 357.450 2.814 20 10 FFCDRO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[NH2+]Cc2cccc(O)c2O)cc1 ZINC001253433458 1040180821 /nfs/dbraw/zinc/18/08/21/1040180821.db2.gz GJTNHKPDTRORII-QGZVFWFLSA-N 1 0 373.449 2.703 20 10 FFCDRO CCCc1noc(C2CC[NH+](Cc3ccc(CC(=O)OC)cc3O)CC2)n1 ZINC001249207909 1040629608 /nfs/dbraw/zinc/62/96/08/1040629608.db2.gz MBPOKNZAIZRDAQ-UHFFFAOYSA-N 1 0 373.453 2.823 20 10 FFCDRO COC(=O)Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(O)c1 ZINC001249217995 1040633326 /nfs/dbraw/zinc/63/33/26/1040633326.db2.gz VRDVZZIFXVJXCS-UHFFFAOYSA-N 1 0 374.412 2.685 20 10 FFCDRO [NH3+][C@H](Cc1nc(-c2ccc(F)c3c2C(=O)CC3)no1)c1ccccc1O ZINC001249339634 1040690672 /nfs/dbraw/zinc/69/06/72/1040690672.db2.gz OSGMELTUDHAIBJ-CQSZACIVSA-N 1 0 353.353 2.953 20 10 FFCDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cc(O)c(O)cc3O)CC2)cc1 ZINC001254466563 1040733504 /nfs/dbraw/zinc/73/35/04/1040733504.db2.gz CZXHRXUQZZRVJR-UHFFFAOYSA-N 1 0 373.409 2.513 20 10 FFCDRO CN1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)cc2F)CC1 ZINC001261206338 1041066801 /nfs/dbraw/zinc/06/68/01/1041066801.db2.gz KSEKNNBAPIYZQF-WOJBJXKFSA-N 1 0 361.505 2.967 20 10 FFCDRO Cc1cc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c(O)cc1Br ZINC001250135598 1041125824 /nfs/dbraw/zinc/12/58/24/1041125824.db2.gz GCWTYWWGJZWGMG-CYBMUJFWSA-N 1 0 353.260 2.660 20 10 FFCDRO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001255213982 1041204858 /nfs/dbraw/zinc/20/48/58/1041204858.db2.gz JVEIXQDCMUUYQV-BJWYYQGGSA-N 1 0 360.454 2.998 20 10 FFCDRO O=C(CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)c(O)c1 ZINC001255386891 1041312925 /nfs/dbraw/zinc/31/29/25/1041312925.db2.gz CMUFYESALWGQGZ-SFHVURJKSA-N 1 0 354.450 2.925 20 10 FFCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](n2cncn2)C1 ZINC001261605156 1041333633 /nfs/dbraw/zinc/33/36/33/1041333633.db2.gz ZRMYFMJESYOPAF-MAODMQOUSA-N 1 0 369.513 2.759 20 10 FFCDRO Cc1cc(O)ccc1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001263964952 1042553436 /nfs/dbraw/zinc/55/34/36/1042553436.db2.gz DLVXBDNMUSEGAE-FQEVSTJZSA-N 1 0 355.482 2.728 20 10 FFCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cn[nH]c4)C[C@H]32)c(Cl)c1 ZINC001279333996 1043007828 /nfs/dbraw/zinc/00/78/28/1043007828.db2.gz WKRQGZFIHWSKFF-QFBILLFUSA-N 1 0 359.905 2.835 20 10 FFCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]3CN(Cc4cccc(=O)[nH]4)C[C@H]32)c(O)c1 ZINC001279432345 1043106564 /nfs/dbraw/zinc/10/65/64/1043106564.db2.gz HZGKPUNFERJTQI-QFBILLFUSA-N 1 0 353.466 2.816 20 10 FFCDRO CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)c1[O-])CC2 ZINC001279442421 1043116767 /nfs/dbraw/zinc/11/67/67/1043116767.db2.gz QPSAOAFLBICLBS-UHFFFAOYSA-N 1 0 351.922 2.895 20 10 FFCDRO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(C)cccc1O ZINC001237485724 1043198769 /nfs/dbraw/zinc/19/87/69/1043198769.db2.gz QWJIGFSJTSJRKR-HNNXBMFYSA-N 1 0 350.459 2.768 20 10 FFCDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001279506589 1043202500 /nfs/dbraw/zinc/20/25/00/1043202500.db2.gz YQXPHQUVDFLOCP-HOTGVXAUSA-N 1 0 357.420 2.621 20 10 FFCDRO COc1cccc(N2CC[NH+](Cc3cc(OC)cc(OC)c3O)CC2)c1 ZINC001237674910 1043302808 /nfs/dbraw/zinc/30/28/08/1043302808.db2.gz NBENSNCQANDSGX-UHFFFAOYSA-N 1 0 358.438 2.740 20 10 FFCDRO COc1cc(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC001237678644 1043307483 /nfs/dbraw/zinc/30/74/83/1043307483.db2.gz QHEOWBISPBFVHK-UHFFFAOYSA-N 1 0 366.458 2.756 20 10 FFCDRO CCN(C)C(=O)CO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC001237690929 1043314791 /nfs/dbraw/zinc/31/47/91/1043314791.db2.gz UZRVSPPLVAURJY-INIZCTEOSA-N 1 0 354.878 2.813 20 10 FFCDRO Oc1cc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c(O)cc1Br ZINC001279663601 1043423506 /nfs/dbraw/zinc/42/35/06/1043423506.db2.gz YKWPIDSPLOOKRM-UHFFFAOYSA-N 1 0 367.287 2.921 20 10 FFCDRO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)c(O)c1 ZINC001279664108 1043425939 /nfs/dbraw/zinc/42/59/39/1043425939.db2.gz RVLKOMBHEMOJMN-GASCZTMLSA-N 1 0 371.403 2.875 20 10 FFCDRO C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c([O-])ccc(Cl)c3Cl)[C@@H]2C1 ZINC001279676736 1043449097 /nfs/dbraw/zinc/44/90/97/1043449097.db2.gz NYLIYNFJAQRDMF-SWLSCSKDSA-N 1 0 358.313 2.767 20 10 FFCDRO C[NH2+]CCNS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001238021011 1043487966 /nfs/dbraw/zinc/48/79/66/1043487966.db2.gz FWCTZNIUUJCHKL-QZQOTICOSA-N 1 0 361.471 2.666 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C23CC(C(=O)N4CC(F)(C5CC5)C4)(C2)C3)cc1 ZINC001279743457 1043571978 /nfs/dbraw/zinc/57/19/78/1043571978.db2.gz KMOXNWCANPATJQ-UHFFFAOYSA-N 1 0 357.473 2.725 20 10 FFCDRO COCCOCN1CC[C@]2(C1)CCCN(c1ccc(OC)cc1OC)C2 ZINC001279759166 1043599128 /nfs/dbraw/zinc/59/91/28/1043599128.db2.gz QEPHAVWGOJXMAN-FQEVSTJZSA-N 1 0 364.486 2.617 20 10 FFCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC001311726847 1043967222 /nfs/dbraw/zinc/96/72/22/1043967222.db2.gz DBUGSLHGZSKJOO-QGZVFWFLSA-N 1 0 358.530 2.989 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2[NH2+]Cc2ccccc2O)C[C@@H](C)O1 ZINC001279968665 1044003612 /nfs/dbraw/zinc/00/36/12/1044003612.db2.gz NIWQAQOXHNUGSJ-DQTZRQEHSA-N 1 0 358.482 2.532 20 10 FFCDRO O=C(Nc1cn[nH]c1)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279981815 1044028929 /nfs/dbraw/zinc/02/89/29/1044028929.db2.gz HUQOZHXGAUDDMR-VGGPVPOVSA-N 1 0 360.845 2.912 20 10 FFCDRO CN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC001279982138 1044032288 /nfs/dbraw/zinc/03/22/88/1044032288.db2.gz AHQNKCVMFHJSNF-DRXBFXEBSA-N 1 0 367.287 2.701 20 10 FFCDRO C[C@@H]1CN(C(=O)[C@H]2CC23C[NH+](Cc2cc(Cl)ccc2O)C3)C[C@H](C)O1 ZINC001279983154 1044033254 /nfs/dbraw/zinc/03/32/54/1044033254.db2.gz FEOJQPILEOOKOZ-DVOMOZLQSA-N 1 0 364.873 2.503 20 10 FFCDRO COc1ccc(O)c(C[NH2+]C23CC(C(=O)NC4CCC(F)CC4)(C2)C3)c1 ZINC001279985665 1044040181 /nfs/dbraw/zinc/04/01/81/1044040181.db2.gz GNQSITFEAOITJL-UHFFFAOYSA-N 1 0 362.445 2.810 20 10 FFCDRO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C)c1O ZINC001280028043 1044102593 /nfs/dbraw/zinc/10/25/93/1044102593.db2.gz PUQCIEJHGHRXKO-HDICACEKSA-N 1 0 358.461 2.905 20 10 FFCDRO Cc1ccc(C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(=O)NC(C)(C)C)C2)c(O)c1 ZINC001280045876 1044133184 /nfs/dbraw/zinc/13/31/84/1044133184.db2.gz DBRAMVIBWMAXDZ-ZIFCJYIRSA-N 1 0 360.498 2.842 20 10 FFCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001313370587 1044334345 /nfs/dbraw/zinc/33/43/45/1044334345.db2.gz FDSXVTONNQANDD-MOPGFXCFSA-N 1 0 353.466 2.845 20 10 FFCDRO CC[N@@H+]1CC[C@@H](Cn2c(CC3CC3)nnc2N(C)Cc2ccccc2O)C1 ZINC001313895968 1044439954 /nfs/dbraw/zinc/43/99/54/1044439954.db2.gz OOAHSAGQQNESEC-QGZVFWFLSA-N 1 0 369.513 2.914 20 10 FFCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(=O)N4C[C@H](C)O[C@@H](C)C4)(C2)C3)c1O ZINC001280346652 1044635496 /nfs/dbraw/zinc/63/54/96/1044635496.db2.gz VZWJFZOXCBRKJL-RKAKKKFESA-N 1 0 358.482 2.657 20 10 FFCDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2C[C@H](C)O[C@@H](C)C2)c1O ZINC001280346942 1044635623 /nfs/dbraw/zinc/63/56/23/1044635623.db2.gz ZCNIPIXLOIYMJJ-OPOADAIRSA-N 1 0 358.482 2.609 20 10 FFCDRO COCCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1c(C)ccc(C)c1O ZINC001280349513 1044639616 /nfs/dbraw/zinc/63/96/16/1044639616.db2.gz JPJSPSDUAQNURU-KCITZHQASA-N 1 0 360.498 2.618 20 10 FFCDRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001318736416 1044846357 /nfs/dbraw/zinc/84/63/57/1044846357.db2.gz LKNVETQYWYNINW-SFHVURJKSA-N 1 0 364.493 2.754 20 10 FFCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001539301179 1070608652 /nfs/dbraw/zinc/60/86/52/1070608652.db2.gz AIBBCVJFROIIAS-AZUAARDMSA-N 1 0 359.514 2.602 20 10 FFCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@]23CCC[C@H]2OCC3)cc1C ZINC001319489698 1045171325 /nfs/dbraw/zinc/17/13/25/1045171325.db2.gz GZIDVLJGTJVUJC-SCWSEQNSSA-N 1 0 360.498 2.899 20 10 FFCDRO CC[C@@H]([NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(C)cc1O ZINC001321541387 1045700242 /nfs/dbraw/zinc/70/02/42/1045700242.db2.gz CCLMNLIVRYLIMI-UTKZUKDTSA-N 1 0 367.449 2.996 20 10 FFCDRO COc1nc(Cl)c(C[NH2+]C[C@@H]2CCN(c3ccc(OC)cc3)C2)n1C ZINC001326048250 1046743771 /nfs/dbraw/zinc/74/37/71/1046743771.db2.gz XMUDLRQIGFOOCS-ZDUSSCGKSA-N 1 0 364.877 2.707 20 10 FFCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC001326983479 1047152176 /nfs/dbraw/zinc/15/21/76/1047152176.db2.gz DWFXXSHYVBJGTO-OAHLLOKOSA-N 1 0 371.865 2.523 20 10 FFCDRO Cc1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(N(C)C)cc1C ZINC001289419553 1047667770 /nfs/dbraw/zinc/66/77/70/1047667770.db2.gz HLTHXTCALFJFCP-UHFFFAOYSA-N 1 0 356.518 2.540 20 10 FFCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CCC(=O)[O-])C(F)(F)F)cc2)CC1 ZINC001328487454 1048323475 /nfs/dbraw/zinc/32/34/75/1048323475.db2.gz JTGAEFLTZCYMSL-OAHLLOKOSA-N 1 0 373.419 2.571 20 10 FFCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2F)C[C@H](C)O1 ZINC001332515326 1048429828 /nfs/dbraw/zinc/42/98/28/1048429828.db2.gz FTQJPCJCKQDPII-CXHZTBPHSA-N 1 0 363.477 2.573 20 10 FFCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c(O)cccc1Br ZINC001329155737 1048598743 /nfs/dbraw/zinc/59/87/43/1048598743.db2.gz DVEAGVQHFCFKMS-CXAGYDPISA-N 1 0 366.255 2.729 20 10 FFCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001329746799 1048889219 /nfs/dbraw/zinc/88/92/19/1048889219.db2.gz ZESDGAZFPFQGCQ-KBUPBQIOSA-N 1 0 352.500 2.699 20 10 FFCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC=CO1 ZINC001294860730 1049822618 /nfs/dbraw/zinc/82/26/18/1049822618.db2.gz XKAHOHGTWUSMSM-WBVHZDCISA-N 1 0 350.846 2.819 20 10 FFCDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc2O1 ZINC001295028915 1049865245 /nfs/dbraw/zinc/86/52/45/1049865245.db2.gz ZZQHCZUSKJCEGL-OAHLLOKOSA-N 1 0 367.409 2.818 20 10 FFCDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC001297728770 1050271748 /nfs/dbraw/zinc/27/17/48/1050271748.db2.gz QEIZXNRUPXUZQJ-GOSISDBHSA-N 1 0 373.472 2.810 20 10 FFCDRO CN(C)c1ccc(CNC(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001341823308 1050435417 /nfs/dbraw/zinc/43/54/17/1050435417.db2.gz GCDGWXLYUYCUTM-UHFFFAOYSA-N 1 0 353.470 2.616 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC001342706224 1051322777 /nfs/dbraw/zinc/32/27/77/1051322777.db2.gz AAYAQJCQCJHJRN-IRXDYDNUSA-N 1 0 372.469 2.625 20 10 FFCDRO CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2COCC3)[NH+](C)C)cc1 ZINC001342707233 1051323628 /nfs/dbraw/zinc/32/36/28/1051323628.db2.gz IMUXOUHACYUCEU-OAQYLSRUSA-N 1 0 367.493 2.858 20 10 FFCDRO NC(=O)N=Nc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001306864168 1052203683 /nfs/dbraw/zinc/20/36/83/1052203683.db2.gz KPIIJXPAFFHYFY-UHFFFAOYSA-N 1 0 352.398 2.597 20 10 FFCDRO O=C1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1CC1CC1 ZINC001308502534 1052462337 /nfs/dbraw/zinc/46/23/37/1052462337.db2.gz UDHSYYIFNMNYKN-QGZVFWFLSA-N 1 0 372.469 2.686 20 10 FFCDRO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](c3ccc(N(C)C)cc3)N(C)C)[C@H]2C1 ZINC001308970820 1052528631 /nfs/dbraw/zinc/52/86/31/1052528631.db2.gz CHUVIGKMUMGTAF-CJGGRQNCSA-N 1 0 359.514 2.533 20 10 FFCDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001335541087 1053423101 /nfs/dbraw/zinc/42/31/01/1053423101.db2.gz VXMCGPKJMGOIEP-HNNXBMFYSA-N 1 0 353.470 2.689 20 10 FFCDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001336742247 1054184531 /nfs/dbraw/zinc/18/45/31/1054184531.db2.gz MOKUYWMCZJCUTL-IBGZPJMESA-N 1 0 368.525 2.836 20 10 FFCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)o1 ZINC000848893852 1055317511 /nfs/dbraw/zinc/31/75/11/1055317511.db2.gz ISNANYXWPHQWJH-UHFFFAOYSA-N 1 0 362.401 2.640 20 10 FFCDRO CCc1cccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c1O ZINC000848894122 1055317847 /nfs/dbraw/zinc/31/78/47/1055317847.db2.gz JKZBCOPKHQLXQU-UHFFFAOYSA-N 1 0 354.450 2.717 20 10 FFCDRO CCc1cccc(C[NH2+]C[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)c1O ZINC000848919790 1055365562 /nfs/dbraw/zinc/36/55/62/1055365562.db2.gz SDDKLOROHDJSRR-QGZVFWFLSA-N 1 0 374.456 2.797 20 10 FFCDRO COc1cc(N2CC[NH+](CCc3ccns3)CC2)cc(OC)c1OC ZINC001351301329 1056182149 /nfs/dbraw/zinc/18/21/49/1056182149.db2.gz JRNPNTDAWJBYQG-UHFFFAOYSA-N 1 0 363.483 2.534 20 10 FFCDRO C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001353393676 1056361795 /nfs/dbraw/zinc/36/17/95/1056361795.db2.gz UHYVVJCLQFFETP-VQIMIIECSA-N 1 0 352.482 2.979 20 10 FFCDRO CCOC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001545632720 1071822325 /nfs/dbraw/zinc/82/23/25/1071822325.db2.gz TVZLRMPGGSXAOF-HNNXBMFYSA-N 1 0 354.878 2.941 20 10 FFCDRO C[C@@H]1[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)CC[N@@H+]1C ZINC001452619121 1059263745 /nfs/dbraw/zinc/26/37/45/1059263745.db2.gz YWOVGSALOGEQOS-CZUORRHYSA-N 1 0 357.420 2.984 20 10 FFCDRO Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CC[NH+](C)CC3)c2)c1F ZINC001200782434 1059485432 /nfs/dbraw/zinc/48/54/32/1059485432.db2.gz IAEVVNQHCBZUAL-UHFFFAOYSA-N 1 0 363.458 2.687 20 10 FFCDRO COCCOC[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001355245068 1060031929 /nfs/dbraw/zinc/03/19/29/1060031929.db2.gz ZSBUZSOQYBMBTF-CQSZACIVSA-N 1 0 358.429 2.898 20 10 FFCDRO OCC1CCN(c2ccc(CNCc3cc4n(n3)CCCC4)cc2)CC1 ZINC000848529431 1060223390 /nfs/dbraw/zinc/22/33/90/1060223390.db2.gz NIQYYQUHEYBWFI-UHFFFAOYSA-N 1 0 354.498 2.718 20 10 FFCDRO CN(C)c1ccc(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001355878701 1060687569 /nfs/dbraw/zinc/68/75/69/1060687569.db2.gz JZWFHILHHGTDRR-UHFFFAOYSA-N 1 0 369.509 2.942 20 10 FFCDRO Cn1c2ccc(OS(=O)(=O)CC3([NH+](C)C)CC3)cc2c2c1CCCC2 ZINC001475426882 1061084854 /nfs/dbraw/zinc/08/48/54/1061084854.db2.gz WXHDDCZBSOELKM-UHFFFAOYSA-N 1 0 362.495 2.860 20 10 FFCDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001461227050 1061257370 /nfs/dbraw/zinc/25/73/70/1061257370.db2.gz BAUQBEICSYPUEB-GOSISDBHSA-N 1 0 366.509 2.707 20 10 FFCDRO CCC(CC)CS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001475766190 1061259768 /nfs/dbraw/zinc/25/97/68/1061259768.db2.gz OQPJIVZUPTWYPE-SFHVURJKSA-N 1 0 355.548 2.711 20 10 FFCDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(C)c3ccccc3n2C)CC1 ZINC001461423508 1061314383 /nfs/dbraw/zinc/31/43/83/1061314383.db2.gz NOKOMBZKUFXWJQ-UHFFFAOYSA-N 1 0 363.527 2.638 20 10 FFCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(O)c1 ZINC001462231286 1061546465 /nfs/dbraw/zinc/54/64/65/1061546465.db2.gz CRACGOVTWYBMDK-CHWSQXEVSA-N 1 0 372.387 2.552 20 10 FFCDRO CCOc1cccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001462469713 1061637001 /nfs/dbraw/zinc/63/70/01/1061637001.db2.gz TXVNHPVTXMVHBG-UHFFFAOYSA-N 1 0 353.466 2.767 20 10 FFCDRO COc1cc(O)c(C[NH2+]CC(=O)Nc2cccc3cccnc32)cc1OC ZINC001462552672 1061669694 /nfs/dbraw/zinc/66/96/94/1061669694.db2.gz ANOFQWCVRGLXIH-UHFFFAOYSA-N 1 0 367.405 2.686 20 10 FFCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCN1CCOCC1(C)C ZINC001477785640 1061798457 /nfs/dbraw/zinc/79/84/57/1061798457.db2.gz XPBRBVRUMBCDRD-UHFFFAOYSA-N 1 0 374.529 2.539 20 10 FFCDRO C[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)C[N@@H+]1Cc1ccccc1 ZINC001478174864 1061928545 /nfs/dbraw/zinc/92/85/45/1061928545.db2.gz QGPRCLYMCUILNR-GDBMZVCRSA-N 1 0 357.429 2.994 20 10 FFCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]23CCO[C@H]2CCCC3)[NH+](C)C)cc1 ZINC001463282686 1062032566 /nfs/dbraw/zinc/03/25/66/1062032566.db2.gz PDAXRELISSHHGJ-IRFCIJBXSA-N 1 0 359.514 2.821 20 10 FFCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)cc2F)CC1 ZINC001530377110 1062555253 /nfs/dbraw/zinc/55/52/53/1062555253.db2.gz OCQQZLNODWDDLX-DZOHQFGASA-N 1 0 359.489 2.876 20 10 FFCDRO CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001466678548 1063518368 /nfs/dbraw/zinc/51/83/68/1063518368.db2.gz HJMHIRIMGCPCQO-GOSISDBHSA-N 1 0 354.450 2.763 20 10 FFCDRO Cc1cc(CC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001468120008 1063929438 /nfs/dbraw/zinc/92/94/38/1063929438.db2.gz ZRZSDZRZOSGXHX-HDICACEKSA-N 1 0 369.509 2.550 20 10 FFCDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C[C@@H]1F ZINC001471545347 1064710789 /nfs/dbraw/zinc/71/07/89/1064710789.db2.gz QVYPFWPXSPYSOQ-JLSDUUJJSA-N 1 0 350.482 2.745 20 10 FFCDRO CC(C)c1nnc(N(C)C2CC[NH2+]CC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001575876647 1078172054 /nfs/dbraw/zinc/17/20/54/1078172054.db2.gz DOIYLXLVXBIVCV-UHFFFAOYSA-N 1 0 374.508 2.843 20 10 FFCDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001473237307 1065227053 /nfs/dbraw/zinc/22/70/53/1065227053.db2.gz BRFVHJCMFMZIJI-RBUKOAKNSA-N 1 0 361.530 2.894 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2nnc3n2CCC3)c1O ZINC001474392394 1065510256 /nfs/dbraw/zinc/51/02/56/1065510256.db2.gz WUTWVIPUOMWPAZ-JTQLQIEISA-N 1 0 351.248 2.852 20 10 FFCDRO Cn1cncc1C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001474754548 1065598348 /nfs/dbraw/zinc/59/83/48/1065598348.db2.gz CGZHMTYUEGBTRC-UHFFFAOYSA-N 1 0 354.498 2.761 20 10 FFCDRO COC(=O)c1c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2cc(F)ccc2n1C ZINC001578850319 1078534318 /nfs/dbraw/zinc/53/43/18/1078534318.db2.gz DNYXCWDNNLPLLS-NUTKFTJISA-N 1 0 359.445 2.663 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H]3C[NH2+]C[C@H]3C)ccc21 ZINC001579067200 1078568111 /nfs/dbraw/zinc/56/81/11/1078568111.db2.gz BPZRKZQVMGUXOC-RDTXWAMCSA-N 1 0 357.498 2.880 20 10 FFCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965965 1074799764 /nfs/dbraw/zinc/79/97/64/1074799764.db2.gz HJNHTRAQSICHIU-CQSZACIVSA-N 1 0 350.426 2.612 20 10 FFCDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(C(C)C)ccc2O)CC1 ZINC001560717628 1076293781 /nfs/dbraw/zinc/29/37/81/1076293781.db2.gz RORDXMFPFWOMML-UHFFFAOYSA-N 1 0 361.530 2.892 20 10 FFCDRO COC(=O)/C=C\c1ccc(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)o1 ZINC001561040139 1076323361 /nfs/dbraw/zinc/32/33/61/1076323361.db2.gz KSBMXYANRXGPOI-GHYICZDASA-N 1 0 371.481 2.924 20 10 FFCDRO CCOCC(C)(C)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001564871956 1076666136 /nfs/dbraw/zinc/66/61/36/1076666136.db2.gz NHHHNFHVTOABPU-SFHVURJKSA-N 1 0 364.534 2.717 20 10 FFCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC2(CCC2)O1 ZINC001565452565 1076731325 /nfs/dbraw/zinc/73/13/25/1076731325.db2.gz GJLHOBBCVUKDER-APWZRJJASA-N 1 0 374.529 2.708 20 10 FFCDRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000038082783 506435007 /nfs/dbraw/zinc/43/50/07/506435007.db2.gz KPCCYKSTCMKUME-GWCFXTLKSA-N 1 0 362.289 2.630 20 10 FFCDRO COc1ccc(N2CCC([NH2+]CCCNC(=O)c3occc3C)CC2)cc1 ZINC000373139100 512189073 /nfs/dbraw/zinc/18/90/73/512189073.db2.gz LFLGBSCPZZSVNW-UHFFFAOYSA-N 1 0 371.481 2.975 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000373244909 512238511 /nfs/dbraw/zinc/23/85/11/512238511.db2.gz LXROUCUWJNRWAA-OAHLLOKOSA-N 1 0 364.877 2.855 20 10 FFCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)c1O ZINC000373244908 512238636 /nfs/dbraw/zinc/23/86/36/512238636.db2.gz LXROUCUWJNRWAA-HNNXBMFYSA-N 1 0 364.877 2.855 20 10 FFCDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C1 ZINC000054471297 506563776 /nfs/dbraw/zinc/56/37/76/506563776.db2.gz PYEORDDPFYFEFD-AWEZNQCLSA-N 1 0 360.454 2.591 20 10 FFCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000054510892 506569951 /nfs/dbraw/zinc/56/99/51/506569951.db2.gz UNBBYQBQRGSAJN-SFHVURJKSA-N 1 0 374.529 2.649 20 10 FFCDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000090017751 507902170 /nfs/dbraw/zinc/90/21/70/507902170.db2.gz ZZJKGZHORDOXSW-OXQOHEQNSA-N 1 0 367.497 2.867 20 10 FFCDRO CN(C)c1ccnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091675442 508001247 /nfs/dbraw/zinc/00/12/47/508001247.db2.gz SZJWRYWDXSBTMW-UHFFFAOYSA-N 1 0 366.513 2.687 20 10 FFCDRO COc1ccnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000091676837 508001629 /nfs/dbraw/zinc/00/16/29/508001629.db2.gz QHQIGVBZNFBRPH-UHFFFAOYSA-N 1 0 353.470 2.629 20 10 FFCDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000080718725 508097710 /nfs/dbraw/zinc/09/77/10/508097710.db2.gz AQFHLXVBQBKPBB-XWIQROEWSA-N 1 0 369.509 2.668 20 10 FFCDRO COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1OC ZINC000112583734 508199252 /nfs/dbraw/zinc/19/92/52/508199252.db2.gz WTTCMAPRTDDVMM-HNNXBMFYSA-N 1 0 372.465 2.589 20 10 FFCDRO COc1ccc(O)c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000089217773 508391226 /nfs/dbraw/zinc/39/12/26/508391226.db2.gz WJYOYBXOTJVCAJ-UHFFFAOYSA-N 1 0 370.453 2.512 20 10 FFCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000152557878 508469904 /nfs/dbraw/zinc/46/99/04/508469904.db2.gz OKWTUPUXQNNRJX-IBGZPJMESA-N 1 0 374.456 2.833 20 10 FFCDRO O=C(Cc1cccnc1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260747 508514442 /nfs/dbraw/zinc/51/44/42/508514442.db2.gz HMORGLQMLQONLQ-KRWDZBQOSA-N 1 0 359.857 2.764 20 10 FFCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000128097311 508546958 /nfs/dbraw/zinc/54/69/58/508546958.db2.gz VDNFDLFVDSIGOZ-QGZVFWFLSA-N 1 0 353.470 2.568 20 10 FFCDRO CCCNC(=O)C1([NH2+]Cc2cc(OC)c(OC)cc2O)CCCCC1 ZINC000154525836 508801957 /nfs/dbraw/zinc/80/19/57/508801957.db2.gz HPBJRWPBHRQWPX-UHFFFAOYSA-N 1 0 350.459 2.728 20 10 FFCDRO COc1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1O ZINC000125655698 509011945 /nfs/dbraw/zinc/01/19/45/509011945.db2.gz ZEKGGCLEAOQQFW-UHFFFAOYSA-N 1 0 356.451 2.728 20 10 FFCDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000161295063 509098420 /nfs/dbraw/zinc/09/84/20/509098420.db2.gz OUUITSBMTSRVSW-IERDGZPVSA-N 1 0 356.466 2.916 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@H](C)C(=O)NCc3ccco3)CC2)cc1 ZINC000161996497 509168445 /nfs/dbraw/zinc/16/84/45/509168445.db2.gz XXWUNAXPJGZZJR-OAHLLOKOSA-N 1 0 357.454 2.552 20 10 FFCDRO COc1ccc(N2CCC([NH2+][C@@H](C)C(=O)NCc3ccco3)CC2)cc1 ZINC000161996389 509168515 /nfs/dbraw/zinc/16/85/15/509168515.db2.gz XXWUNAXPJGZZJR-HNNXBMFYSA-N 1 0 357.454 2.552 20 10 FFCDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000182533654 509290931 /nfs/dbraw/zinc/29/09/31/509290931.db2.gz JEJWULBJLQLFAT-OAHLLOKOSA-N 1 0 368.481 2.678 20 10 FFCDRO COc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000182888380 509479267 /nfs/dbraw/zinc/47/92/67/509479267.db2.gz OSPAEJVIAXKNMY-GDBMZVCRSA-N 1 0 361.486 2.853 20 10 FFCDRO CC[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[NH+](CC)CC ZINC000267509308 509521218 /nfs/dbraw/zinc/52/12/18/509521218.db2.gz ZDOWCSOCHUZOEL-SFHVURJKSA-N 1 0 365.493 2.523 20 10 FFCDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000236882132 509524772 /nfs/dbraw/zinc/52/47/72/509524772.db2.gz YFCYMMQHQKCVGK-UHFFFAOYSA-N 1 0 355.482 2.848 20 10 FFCDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)C1 ZINC000186111087 509528600 /nfs/dbraw/zinc/52/86/00/509528600.db2.gz RXWYMEURRJHMCC-PWSUYJOCSA-N 1 0 356.264 2.609 20 10 FFCDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000237230240 509599680 /nfs/dbraw/zinc/59/96/80/509599680.db2.gz MFUKDYNBFVEVLQ-ZDUSSCGKSA-N 1 0 364.467 2.502 20 10 FFCDRO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c1O ZINC000179750330 509604625 /nfs/dbraw/zinc/60/46/25/509604625.db2.gz KYPNVCLASONRIC-UHFFFAOYSA-N 1 0 368.886 2.894 20 10 FFCDRO Cc1ccc(O)c(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000179872817 509655345 /nfs/dbraw/zinc/65/53/45/509655345.db2.gz OYHNXODRINHWHF-UHFFFAOYSA-N 1 0 366.508 2.705 20 10 FFCDRO Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000183254763 509682129 /nfs/dbraw/zinc/68/21/29/509682129.db2.gz OXPFEDODNHESJK-HXUWFJFHSA-N 1 0 354.498 2.870 20 10 FFCDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000268902588 510127054 /nfs/dbraw/zinc/12/70/54/510127054.db2.gz LIGYCKUASFMTMP-CYBMUJFWSA-N 1 0 363.399 2.807 20 10 FFCDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000190433439 510128020 /nfs/dbraw/zinc/12/80/20/510128020.db2.gz AQOFEAWQVVVJJP-KSSFIOAISA-N 1 0 361.442 2.636 20 10 FFCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000175226069 510540939 /nfs/dbraw/zinc/54/09/39/510540939.db2.gz FLMYFWMOIBNUQF-LJQANCHMSA-N 1 0 356.514 2.936 20 10 FFCDRO COc1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)ccc1OCC(N)=O ZINC000285353502 510873495 /nfs/dbraw/zinc/87/34/95/510873495.db2.gz VHSZMCUTUNKDCU-AWEZNQCLSA-N 1 0 358.438 2.733 20 10 FFCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)c1O ZINC000270602268 510920820 /nfs/dbraw/zinc/92/08/20/510920820.db2.gz AWCFOUAEKLGRIS-YJBOKZPZSA-N 1 0 362.376 2.741 20 10 FFCDRO COc1c([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278464694 510994403 /nfs/dbraw/zinc/99/44/03/510994403.db2.gz FVAUMUPAPUEASK-QGZVFWFLSA-N 1 0 368.336 2.585 20 10 FFCDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000364723008 511043805 /nfs/dbraw/zinc/04/38/05/511043805.db2.gz MHUXLKGVEKVCJB-CQSZACIVSA-N 1 0 365.275 2.565 20 10 FFCDRO CN(C(=O)NCc1ccc(N2CC=CC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287477464 511050364 /nfs/dbraw/zinc/05/03/64/511050364.db2.gz OMENVWHTDZZRPX-YOFSQIOKSA-N 1 0 354.498 2.829 20 10 FFCDRO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc21 ZINC000289669946 511109244 /nfs/dbraw/zinc/10/92/44/511109244.db2.gz AFVYCCIQBABADW-ZWKOTPCHSA-N 1 0 355.482 2.586 20 10 FFCDRO COC[C@@]1(C[NH2+]Cc2cc(OC)c(OC)cc2O)OCCc2ccccc21 ZINC000291451490 511203387 /nfs/dbraw/zinc/20/33/87/511203387.db2.gz COAKGNOVPAUYGG-OAQYLSRUSA-N 1 0 373.449 2.614 20 10 FFCDRO COC1CCN(c2ccc(C[NH2+][C@H]3CCC(=O)NC34CCC4)cc2)CC1 ZINC000295148701 511299296 /nfs/dbraw/zinc/29/92/96/511299296.db2.gz FSRYVPCNIQALDX-IBGZPJMESA-N 1 0 357.498 2.593 20 10 FFCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)[C@@H]1SC ZINC000298596177 511341648 /nfs/dbraw/zinc/34/16/48/511341648.db2.gz YSUQOUVHJZDCBO-AQNXPRMDSA-N 1 0 364.555 2.894 20 10 FFCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c(C(F)(F)F)c1 ZINC000280120940 511342846 /nfs/dbraw/zinc/34/28/46/511342846.db2.gz CNIOCFGTDRRAKG-OAHLLOKOSA-N 1 0 374.403 2.783 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000271844494 511343994 /nfs/dbraw/zinc/34/39/94/511343994.db2.gz QGJSLICUITYEBM-LBPRGKRZSA-N 1 0 350.440 2.623 20 10 FFCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1SC ZINC000298608652 511346634 /nfs/dbraw/zinc/34/66/34/511346634.db2.gz ZTRDSKVZKOUMAA-JQHSSLGASA-N 1 0 354.491 2.661 20 10 FFCDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000295354478 511373872 /nfs/dbraw/zinc/37/38/72/511373872.db2.gz ISHROYSSJYTQNQ-LJQANCHMSA-N 1 0 356.495 2.941 20 10 FFCDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000283798900 511503009 /nfs/dbraw/zinc/50/30/09/511503009.db2.gz AFDLFEGHMOVACT-GFCCVEGCSA-N 1 0 363.435 2.765 20 10 FFCDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000273424184 511526489 /nfs/dbraw/zinc/52/64/89/511526489.db2.gz SZLISKBIEIRMSE-NSHDSACASA-N 1 0 354.859 2.805 20 10 FFCDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000295888170 511546653 /nfs/dbraw/zinc/54/66/53/511546653.db2.gz HPGOBYKRGCHSAP-LBPRGKRZSA-N 1 0 357.292 2.570 20 10 FFCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC000284150339 511623497 /nfs/dbraw/zinc/62/34/97/511623497.db2.gz PKLRVBSRAAGASV-GOSISDBHSA-N 1 0 350.528 2.934 20 10 FFCDRO O=C(NCc1ccccc1O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299503241 511661029 /nfs/dbraw/zinc/66/10/29/511661029.db2.gz MFXVLUOIIDPGOL-UHFFFAOYSA-N 1 0 367.449 2.633 20 10 FFCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 ZINC000284540026 511764420 /nfs/dbraw/zinc/76/44/20/511764420.db2.gz NAUAVDOHZNDIGL-WIYYLYMNSA-N 1 0 369.513 2.718 20 10 FFCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc2c(cc1O)CCCC2 ZINC000363858875 511812963 /nfs/dbraw/zinc/81/29/63/511812963.db2.gz RQKWXMXITUIDOD-PCMMCCAGSA-N 1 0 371.481 2.642 20 10 FFCDRO c1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000328621123 511895407 /nfs/dbraw/zinc/89/54/07/511895407.db2.gz AGLLJBZGRZKBNH-LEWJYISDSA-N 1 0 353.466 2.928 20 10 FFCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275131306 512051377 /nfs/dbraw/zinc/05/13/77/512051377.db2.gz KVJXKEUOQSKLIG-VIFPVBQESA-N 1 0 366.767 2.555 20 10 FFCDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(N3CCOCC3)c(F)c1)C2 ZINC000370670388 513044358 /nfs/dbraw/zinc/04/43/58/513044358.db2.gz AWRJTBOUHJHSRY-KBXCAEBGSA-N 1 0 370.472 2.969 20 10 FFCDRO CC[C@@H](COC)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435870388 513704629 /nfs/dbraw/zinc/70/46/29/513704629.db2.gz FQUWGUYDTFPQJZ-INIZCTEOSA-N 1 0 357.498 2.949 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCOC2)C1 ZINC000435871414 513704892 /nfs/dbraw/zinc/70/48/92/513704892.db2.gz SOGRFDNZJQYRMN-JOCHJYFZSA-N 1 0 369.509 2.951 20 10 FFCDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)C2)C1 ZINC000510679845 515633440 /nfs/dbraw/zinc/63/34/40/515633440.db2.gz FGQYYMNYXBQSRC-MRXNPFEDSA-N 1 0 355.482 2.655 20 10 FFCDRO COc1cc(Cl)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1O ZINC000529664615 517271226 /nfs/dbraw/zinc/27/12/26/517271226.db2.gz SNMRZXBPPCXWCD-UHFFFAOYSA-N 1 0 354.878 2.741 20 10 FFCDRO C[NH2+]CC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000573692872 518791065 /nfs/dbraw/zinc/79/10/65/518791065.db2.gz ITYDUSRARYNZIZ-UHFFFAOYSA-N 1 0 357.498 2.976 20 10 FFCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210079 608500297 /nfs/dbraw/zinc/50/02/97/608500297.db2.gz CUWBKOQNKZRHRV-ZDUSSCGKSA-N 1 0 369.425 2.701 20 10 FFCDRO